# 123 INDX RES C NUM NC M L S N FC H_RES H_THEOR H_OBSER DELTA_H DKL(O|T) DKL(O|R) FODMIR 1 HIS A 9 5 0 0 0 0 -1 0.628 0.00611 0.00383 0.00228 -0.00258 -0.00416 FODMIR 2 LEU A 10 6 1 0 1 0 -1 0.783 0.00559 0.00346 0.00213 -0.00240 -0.00426 FODMIR 3 TYR A 11 5 0 0 0 0 -2 0.700 0.00251 0.00281 -0.00030 0.00045 -0.00431 FODMIR 4 VAL A 12 5 0 0 0 0 -1 0.811 0.00587 0.00516 0.00071 -0.00096 -0.00338 FODMIR 5 ASP A 13 4 0 0 0 0 -2 0.167 0.00358 0.00399 -0.00041 0.00062 -0.00410 FODMIR 6 LYS A 14 4 0 0 0 0 -2 0.000 0.00201 0.00101 0.00100 -0.00100 -0.00304 FODMIR 7 ASN A 15 5 0 0 0 0 -2 0.278 0.00290 0.00249 0.00041 -0.00055 -0.00425 FODMIR 8 THR A 16 5 0 0 0 0 -1 0.478 0.00726 0.00619 0.00107 -0.00142 -0.00243 FODMIR 9 LYS A 17 5 0 0 0 0 -1 0.000 0.00723 0.00411 0.00312 -0.00335 -0.00405 FODMIR 10 VAL A 18 8 1 0 0 0 +2 0.811 0.01373 0.01396 -0.00022 0.00032 0.01088 FODMIR 11 ILE A 19 8 1 0 1 0 +2 0.883 0.01679 0.01789 -0.00110 0.00164 0.02035 FODMIR 12 CYS A 20 6 1 0 0 0 +2 1.000 0.01737 0.02043 -0.00306 0.00479 0.02716 FODMIR 13 GLN A 21 5 0 0 0 0 +1 0.250 0.01886 0.00919 0.00967 -0.00953 0.00163 FODMIR 14 GLY A 22 5 0 0 0 0 +2 0.550 0.01419 0.01142 0.00277 -0.00358 0.00559 FODMIR 15 PHE A 23 6 1 0 0 0 +2 0.906 0.01222 0.01685 -0.00462 0.00779 0.01771 FODMIR 16 THR A 24 4 0 0 0 0 0 0.478 0.00811 0.00743 0.00068 -0.00094 -0.00097 FODMIR 17 GLY A 25 3 0 0 0 0 +1 0.550 0.00789 0.00802 -0.00013 0.00019 -0.00016 FODMIR 18 LYS A 26 2 0 1 0 0 -2 0.000 0.00407 0.00123 0.00284 -0.00212 -0.00335 FODMIR 19 GLN A 27 2 0 1 0 1 0 0.250 0.00797 0.00455 0.00342 -0.00368 -0.00381 FODMIR 20 GLY A 28 2 0 1 0 0 +2 0.550 0.01112 0.01317 -0.00205 0.00321 0.00917 FODMIR 21 THR A 29 3 0 0 0 0 +1 0.478 0.00758 0.00899 -0.00140 0.00220 0.00130 FODMIR 22 PHE A 30 4 0 0 0 0 -1 0.906 0.00492 0.00770 -0.00278 0.00497 -0.00060 FODMIR 23 HIS A 31 4 0 0 0 0 0 0.628 0.00813 0.00787 0.00026 -0.00037 -0.00037 FODMIR 24 SER A 32 4 0 0 0 0 +1 0.422 0.01009 0.00826 0.00183 -0.00239 0.00019 FODMIR 25 GLN A 33 4 0 0 0 0 -1 0.250 0.00516 0.00477 0.00039 -0.00054 -0.00367 FODMIR 26 GLN A 34 4 0 0 0 0 -1 0.250 0.00473 0.00447 0.00026 -0.00037 -0.00386 FODMIR 27 ALA A 35 5 0 0 0 0 0 0.572 0.00741 0.01016 -0.00275 0.00462 0.00327 FODMIR 28 LEU A 36 7 1 0 0 0 0 0.783 0.00570 0.00865 -0.00295 0.00521 0.00078 FODMIR 29 GLU A 37 4 0 0 0 0 -2 0.083 0.00293 0.00229 0.00065 -0.00082 -0.00418 FODMIR 30 TYR A 38 6 1 0 1 0 -2 0.700 0.00333 0.00325 0.00008 -0.00012 -0.00430 FODMIR 31 GLY A 39 5 0 0 0 0 -1 0.550 0.00405 0.00689 -0.00284 0.00528 -0.00165 FODMIR 32 THR A 40 5 0 0 0 0 0 0.478 0.00720 0.00898 -0.00178 0.00286 0.00129 FODMIR 33 ASN A 41 4 0 0 0 0 -1 0.278 0.00655 0.00490 0.00165 -0.00205 -0.00358 FODMIR 34 LEU A 42 7 1 0 1 0 +1 0.783 0.01075 0.01234 -0.00160 0.00247 0.00743 FODMIR 35 VAL A 43 6 1 0 0 0 +1 0.811 0.00911 0.01151 -0.00240 0.00388 0.00578 FODMIR 36 GLY A 44 4 0 0 0 0 +2 0.550 0.01220 0.01628 -0.00409 0.00679 0.01631 FODMIR 37 GLY A 45 4 0 0 0 0 +2 0.550 0.01337 0.01733 -0.00396 0.00649 0.01892 FODMIR 38 THR A 46 3 0 0 0 0 +2 0.478 0.01445 0.01156 0.00288 -0.00371 0.00588 FODMIR 39 THR A 47 3 0 0 0 0 +1 0.478 0.00992 0.00834 0.00158 -0.00209 0.00030 FODMIR 40 PRO A 48 2 0 1 0 0 0 0.300 0.00815 0.00465 0.00350 -0.00376 -0.00375 FODMIR 41 GLY A 49 2 0 1 0 0 -1 0.550 0.00438 0.00606 -0.00168 0.00285 -0.00257 FODMIR 42 LYS A 50 1 0 1 0 1 -1 0.000 0.00492 0.00338 0.00154 -0.00183 -0.00428 FODMIR 43 GLY A 51 2 0 1 0 0 0 0.550 0.00449 0.00985 -0.00537 0.01118 0.00273 FODMIR 44 GLY A 52 2 0 1 0 0 -1 0.550 0.00303 0.00663 -0.00361 0.00751 -0.00195 FODMIR 45 LYS A 53 3 0 0 0 0 -2 0.000 0.00308 0.00368 -0.00060 0.00095 -0.00421 FODMIR 46 THR A 54 4 0 0 0 0 -1 0.478 0.00357 0.00552 -0.00194 0.00346 -0.00309 FODMIR 47 HIS A 55 5 0 0 0 0 0 0.628 0.00641 0.00910 -0.00269 0.00459 0.00147 FODMIR 48 LEU A 56 6 1 0 0 0 0 0.783 0.00555 0.00836 -0.00281 0.00493 0.00033 FODMIR 49 GLY A 57 5 0 0 0 0 -1 0.550 0.00378 0.00754 -0.00376 0.00752 -0.00082 FODMIR 50 LEU A 58 7 1 0 0 0 0 0.783 0.00647 0.01214 -0.00567 0.01102 0.00702 FODMIR 51 PRO A 59 4 0 0 0 0 0 0.300 0.00655 0.00830 -0.00175 0.00283 0.00025 FODMIR 52 VAL A 60 6 1 0 1 0 +1 0.811 0.00771 0.01517 -0.00745 0.01479 0.01364 FODMIR 53 PHE A 61 7 1 0 0 0 +1 0.906 0.00851 0.01372 -0.00520 0.00944 0.01036 FODMIR 54 ASN A 62 4 0 0 0 0 -1 0.278 0.00673 0.00592 0.00081 -0.00110 -0.00271 FODMIR 55 THR A 63 4 0 0 0 0 0 0.478 0.00949 0.00621 0.00328 -0.00380 -0.00242 FODMIR 56 VAL A 64 5 0 0 0 0 +1 0.811 0.01401 0.00942 0.00458 -0.00539 0.00201 FODMIR 57 LYS A 65 3 0 0 0 0 0 0.000 0.00743 0.00217 0.00526 -0.00385 -0.00413 FODMIR 58 GLU A 66 3 0 0 0 0 -1 0.083 0.00579 0.00335 0.00244 -0.00265 -0.00429 FODMIR 59 ALA A 67 2 0 1 0 0 +1 0.572 0.01018 0.01009 0.00009 -0.00013 0.00315 FODMIR 60 LYS A 68 1 0 1 0 0 0 0.000 0.00926 0.00372 0.00553 -0.00489 -0.00419 FODMIR 61 GLU A 69 1 0 1 0 1 -1 0.083 0.00475 0.00141 0.00334 -0.00247 -0.00356 FODMIR 62 GLN A 70 1 0 1 0 0 -2 0.250 0.00398 0.00247 0.00151 -0.00170 -0.00425 FODMIR 63 THR A 71 2 0 1 0 0 -1 0.478 0.00692 0.00778 -0.00086 0.00131 -0.00050 FODMIR 64 GLY A 72 3 0 0 0 0 0 0.550 0.00671 0.00814 -0.00143 0.00227 0.00002 FODMIR 65 ALA A 73 4 0 0 0 0 +1 0.572 0.01044 0.01226 -0.00181 0.00283 0.00726 FODMIR 66 THR A 74 4 0 0 0 0 +1 0.478 0.00997 0.00882 0.00114 -0.00155 0.00104 FODMIR 67 ALA A 75 5 0 0 0 0 +2 0.572 0.01503 0.01406 0.00098 -0.00136 0.01111 FODMIR 68 SER A 76 4 0 0 0 0 +2 0.422 0.01899 0.01375 0.00524 -0.00641 0.01042 FODMIR 69 VAL A 77 6 1 0 0 0 +2 0.811 0.01841 0.01537 0.00303 -0.00399 0.01413 FODMIR 70 ILE A 78 7 1 0 1 0 +2 0.883 0.01779 0.01769 0.00009 -0.00014 0.01985 FODMIR 71 TYR A 79 6 1 0 0 0 +1 0.700 0.01392 0.01135 0.00257 -0.00334 0.00547 FODMIR 72 VAL A 80 6 1 0 0 0 +1 0.811 0.01251 0.01089 0.00162 -0.00218 0.00459 FODMIR 73 PRO A 81 5 0 0 0 0 0 0.300 0.00770 0.00679 0.00091 -0.00123 -0.00177 FODMIR 74 PRO A 82 4 0 0 0 0 -1 0.300 0.00547 0.00731 -0.00184 0.00305 -0.00112 FODMIR 75 PRO A 83 4 0 0 0 0 -1 0.300 0.00451 0.00559 -0.00108 0.00172 -0.00302 FODMIR 76 PHE A 84 6 1 0 0 0 -1 0.906 0.00674 0.00746 -0.00072 0.00109 -0.00093 FODMIR 77 ALA A 85 4 0 0 0 0 +2 0.572 0.01096 0.01327 -0.00231 0.00366 0.00938 FODMIR 78 ALA A 86 4 0 0 0 0 +1 0.572 0.00957 0.01210 -0.00253 0.00410 0.00694 FODMIR 79 ALA A 87 4 0 0 0 0 +1 0.572 0.01063 0.01081 -0.00018 0.00026 0.00445 FODMIR 80 ALA A 88 3 0 0 0 0 +2 0.572 0.01504 0.01299 0.00205 -0.00274 0.00879 FODMIR 81 ILE A 89 4 0 0 0 0 +2 0.883 0.01426 0.01390 0.00035 -0.00050 0.01076 FODMIR 82 ASN A 90 2 0 1 0 0 +1 0.278 0.01042 0.00804 0.00238 -0.00301 -0.00013 FODMIR 83 GLU A 91 2 0 1 0 1 0 0.083 0.01324 0.00449 0.00875 -0.00700 -0.00385 FODMIR 84 ALA A 92 3 0 0 0 0 +2 0.572 0.01522 0.01224 0.00297 -0.00384 0.00723 FODMIR 85 ILE A 93 4 0 0 0 0 +2 0.883 0.01121 0.01192 -0.00071 0.00105 0.00658 FODMIR 86 ASP A 94 3 0 0 0 0 0 0.167 0.00853 0.00397 0.00456 -0.00438 -0.00411 FODMIR 87 ALA A 95 4 0 0 0 0 +1 0.572 0.01033 0.00863 0.00171 -0.00224 0.00074 FODMIR 88 GLU A 96 3 0 0 0 0 -1 0.083 0.00730 0.00301 0.00428 -0.00385 -0.00431 FODMIR 89 VAL A 97 5 0 0 0 0 +2 0.811 0.01350 0.01261 0.00089 -0.00125 0.00798 FODMIR 90 PRO A 98 4 0 0 0 0 0 0.300 0.00996 0.00769 0.00227 -0.00287 -0.00061 FODMIR 91 LEU A 99 6 1 0 0 0 +2 0.783 0.01299 0.01228 0.00071 -0.00099 0.00731 FODMIR 92 VAL A 100 6 1 0 1 0 +2 0.811 0.01630 0.01569 0.00061 -0.00087 0.01487 FODMIR 93 VAL A 101 5 0 0 0 0 +2 0.811 0.01552 0.01595 -0.00043 0.00062 0.01551 FODMIR 94 CYS A 102 5 0 0 0 0 +2 1.000 0.01366 0.01858 -0.00493 0.00826 0.02217 FODMIR 95 ILE A 103 5 0 0 0 0 +1 0.883 0.01134 0.01089 0.00045 -0.00064 0.00459 FODMIR 96 THR A 104 4 0 0 0 0 +1 0.478 0.00948 0.00921 0.00028 -0.00039 0.00166 FODMIR 97 GLU A 105 3 0 0 0 0 -2 0.083 0.00376 0.00240 0.00136 -0.00156 -0.00423 FODMIR 98 GLY A 106 4 0 0 0 0 -1 0.550 0.00352 0.00701 -0.00349 0.00698 -0.00149 FODMIR 99 ILE A 107 4 0 0 0 0 0 0.883 0.00531 0.01137 -0.00606 0.01248 0.00550 FODMIR 100 PRO A 108 3 0 0 0 0 -1 0.300 0.00275 0.00539 -0.00263 0.00522 -0.00320 FODMIR 101 GLN A 109 2 0 1 0 1 -2 0.250 0.00140 0.00150 -0.00010 0.00015 -0.00366 FODMIR 102 GLN A 110 2 0 1 0 0 -2 0.250 0.00137 0.00242 -0.00105 0.00200 -0.00423 FODMIR 103 ASP A 111 3 0 0 0 0 -1 0.167 0.00386 0.00477 -0.00092 0.00147 -0.00367 FODMIR 104 MET A 112 4 0 0 0 0 0 0.828 0.00514 0.00849 -0.00335 0.00615 0.00054 FODMIR 105 VAL A 113 5 0 0 0 0 -1 0.811 0.00226 0.00635 -0.00408 0.00944 -0.00227 FODMIR 106 ARG A 114 4 0 0 0 0 -2 0.272 0.00248 0.00295 -0.00047 0.00074 -0.00431 FODMIR 107 VAL A 115 5 0 0 0 0 0 0.811 0.00683 0.00899 -0.00216 0.00357 0.00131 FODMIR 108 LYS A 116 4 0 0 0 0 -2 0.000 0.00381 0.00371 0.00010 -0.00014 -0.00420 FODMIR 109 HIS A 117 5 0 0 0 0 -2 0.628 0.00224 0.00333 -0.00109 0.00190 -0.00429 FODMIR 110 ARG A 118 5 0 0 0 0 -1 0.272 0.00575 0.00366 0.00210 -0.00239 -0.00421 FODMIR 111 LEU A 119 8 1 0 0 0 0 0.783 0.00634 0.00844 -0.00210 0.00348 0.00045 FODMIR 112 LEU A 120 9 1 0 1 0 -1 0.783 0.00281 0.00609 -0.00328 0.00680 -0.00254 FODMIR 113 ARG A 121 5 0 0 0 0 -2 0.272 0.00194 0.00319 -0.00125 0.00229 -0.00431 FODMIR 114 GLN A 122 6 1 0 0 0 -1 0.250 0.00487 0.00483 0.00004 -0.00006 -0.00363 FODMIR 115 GLY A 123 6 1 0 0 0 -1 0.550 0.00404 0.00425 -0.00020 0.00030 -0.00398 FODMIR 116 LYS A 124 4 0 0 0 0 -1 0.000 0.00486 0.00218 0.00268 -0.00252 -0.00414 FODMIR 117 THR A 125 5 0 0 0 0 +1 0.478 0.00972 0.00812 0.00160 -0.00210 -0.00001 FODMIR 118 ARG A 126 4 0 0 0 0 0 0.272 0.00742 0.00411 0.00331 -0.00351 -0.00404 FODMIR 119 LEU A 127 6 1 0 0 0 +1 0.783 0.01100 0.01050 0.00050 -0.00071 0.00387 FODMIR 120 ILE A 128 6 1 0 1 0 +1 0.883 0.01002 0.01106 -0.00104 0.00158 0.00490 FODMIR 121 GLY A 129 4 0 0 1 0 +1 0.550 0.00842 0.00927 -0.00085 0.00129 0.00176 FODMIR 122 PRO A 130 5 0 0 0 0 0 0.300 0.00761 0.00681 0.00080 -0.00109 -0.00174 FODMIR 123 ASN A 131 5 0 0 0 0 -2 0.278 0.00469 0.00267 0.00201 -0.00216 -0.00429