REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ath_1_B DATA FIRST_RESID 19 DATA SEQUENCE PMcIYXXXXX XXXXXXXXXX XXXXXXXXXV WELSKANSRF ATTFYQHLAD DATA SEQUENCE SKNDNDNIFL SPLSISTAFA MTKLGAcNDT LQQLMEVFKF DTIXXXXSDQ DATA SEQUENCE IHFFFAKLNC RLYRXXXXXS KLVSANRLFG DKSLTFNETY QDISELVYGA DATA SEQUENCE KLQPLDFKEN AEQSRAAINK WVSNKTEGRI TDVIPSEAIN ELTVLVLVNT DATA SEQUENCE IYFKGLWKSK FSPENTRKEL FYKADGEScS ASMMYQEGKF RYRRVAEGTQ DATA SEQUENCE VLELPFKGDD ITMVLILPKP XXXLAKVEKE LTPEVLQEWL DELEEMMLVV DATA SEQUENCE HMPRFRIEDG FSLKEQLQDM GLVDLFSPEK SKLPGIVXXX XXXLYVSDAF DATA SEQUENCE HKAFLEVNEE GSEAAASTAV VIAGRSLNXX XXXXXXNRPF LVFIREVPLN DATA SEQUENCE TIIFMGRVAN Pc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 P HA 0.000 nan 4.420 nan 0.000 0.216 19 P C 0.000 177.300 177.300 -0.000 0.000 1.155 19 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 19 P CB 0.000 31.684 31.700 -0.026 0.000 0.726 20 M N 0.627 120.232 119.600 0.008 0.000 2.240 20 M HA 0.181 4.660 4.480 -0.001 0.000 0.333 20 M C 0.062 176.370 176.300 0.014 0.000 1.110 20 M CA 0.160 55.466 55.300 0.010 0.000 1.173 20 M CB 0.156 32.762 32.600 0.010 0.000 1.458 20 M HN 0.645 nan 8.290 nan 0.000 0.458 21 c N 2.335 120.943 118.600 0.014 0.000 2.955 21 c HA -0.152 4.417 4.570 -0.001 0.000 0.234 21 c C 0.686 174.793 174.090 0.029 0.000 1.398 21 c CA -0.508 55.833 56.329 0.020 0.000 2.269 21 c CB -3.610 38.913 42.510 0.021 0.000 1.470 21 c HN 0.811 nan 8.230 nan 0.000 0.438 22 I N -1.562 119.025 120.570 0.028 0.000 2.705 22 I HA 0.507 4.676 4.170 -0.001 0.000 0.291 22 I C 0.543 176.684 176.117 0.041 0.000 1.146 22 I CA 0.995 62.317 61.300 0.037 0.000 1.383 22 I CB -0.836 37.182 38.000 0.030 0.000 1.454 22 I HN 0.722 nan 8.210 nan 0.000 0.581 49 W N 2.317 123.523 121.300 -0.156 0.000 2.342 49 W HA -0.112 4.547 4.660 -0.001 0.000 0.297 49 W C 2.088 178.540 176.519 -0.111 0.000 1.213 49 W CA 2.639 59.916 57.345 -0.113 0.000 1.251 49 W CB 0.117 29.524 29.460 -0.089 0.000 1.136 49 W HN 0.378 nan 8.180 nan 0.000 0.526 50 E N -0.192 120.044 120.200 0.061 0.000 2.085 50 E HA -0.291 4.058 4.350 -0.001 0.000 0.194 50 E C 2.009 178.519 176.600 -0.150 0.000 0.994 50 E CA 1.642 58.010 56.400 -0.053 0.000 0.801 50 E CB -0.738 28.936 29.700 -0.043 0.000 0.743 50 E HN 0.289 nan 8.360 nan 0.000 0.453 51 L N 1.088 122.220 121.223 -0.151 0.000 2.056 51 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 51 L C 2.199 178.938 176.870 -0.218 0.000 1.078 51 L CA 1.721 56.481 54.840 -0.132 0.000 0.749 51 L CB -0.482 41.486 42.059 -0.151 0.000 0.901 51 L HN -0.090 nan 8.230 nan 0.000 0.433 52 S N -0.237 115.295 115.700 -0.281 0.000 2.365 52 S HA -0.210 4.259 4.470 -0.001 0.000 0.225 52 S C 1.981 176.370 174.600 -0.351 0.000 1.039 52 S CA 1.346 59.359 58.200 -0.313 0.000 1.033 52 S CB -0.396 62.590 63.200 -0.357 0.000 0.887 52 S HN 0.385 nan 8.310 nan 0.000 0.447 53 K N 1.459 121.559 120.400 -0.501 0.000 2.044 53 K HA -0.064 4.255 4.320 -0.001 0.000 0.210 53 K C 2.454 178.909 176.600 -0.241 0.000 1.049 53 K CA 1.394 57.413 56.287 -0.447 0.000 0.927 53 K CB -0.780 31.384 32.500 -0.560 0.000 0.713 53 K HN 0.364 nan 8.250 nan 0.000 0.443 54 A N 1.605 124.311 122.820 -0.190 0.000 1.865 54 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 54 A C 1.997 179.510 177.584 -0.118 0.000 1.191 54 A CA 2.167 54.125 52.037 -0.131 0.000 0.623 54 A CB -0.933 18.004 19.000 -0.105 0.000 0.826 54 A HN 0.491 nan 8.150 nan 0.000 0.444 55 N N -0.314 118.313 118.700 -0.121 0.000 2.069 55 N HA -0.134 4.605 4.740 -0.001 0.000 0.191 55 N C 1.968 177.487 175.510 0.015 0.000 1.031 55 N CA 1.490 54.518 53.050 -0.037 0.000 0.852 55 N CB -0.130 38.326 38.487 -0.052 0.000 1.018 55 N HN 0.460 nan 8.380 nan 0.000 0.423 56 S N 0.451 116.114 115.700 -0.061 0.000 2.382 56 S HA -0.132 4.338 4.470 -0.001 0.000 0.228 56 S C 1.784 176.358 174.600 -0.043 0.000 1.027 56 S CA 0.846 59.014 58.200 -0.053 0.000 0.991 56 S CB -0.170 62.968 63.200 -0.104 0.000 0.823 56 S HN 0.312 nan 8.310 nan 0.000 0.469 57 R N 0.076 120.545 120.500 -0.053 0.000 2.092 57 R HA -0.063 4.276 4.340 -0.001 0.000 0.231 57 R C 2.047 178.336 176.300 -0.019 0.000 1.119 57 R CA 1.213 57.286 56.100 -0.045 0.000 0.970 57 R CB -0.352 29.918 30.300 -0.050 0.000 0.864 57 R HN 0.424 nan 8.270 nan 0.000 0.440 58 F N 0.960 120.833 119.950 -0.128 0.000 2.186 58 F HA -0.053 4.473 4.527 -0.001 0.000 0.299 58 F C 2.009 177.776 175.800 -0.056 0.000 1.090 58 F CA 1.210 59.121 58.000 -0.150 0.000 1.307 58 F CB -0.523 38.328 39.000 -0.248 0.000 1.019 58 F HN 0.090 nan 8.300 nan 0.000 0.489 59 A N 0.103 122.867 122.820 -0.094 0.000 1.892 59 A HA -0.271 4.049 4.320 -0.001 0.000 0.218 59 A C 2.300 179.811 177.584 -0.121 0.000 1.188 59 A CA 3.008 54.975 52.037 -0.116 0.000 0.631 59 A CB -1.659 17.319 19.000 -0.037 0.000 0.822 59 A HN 0.542 nan 8.150 nan 0.000 0.447 60 T N -3.306 111.191 114.554 -0.096 0.000 2.770 60 T HA -0.108 4.241 4.350 -0.001 0.000 0.263 60 T C 1.800 176.466 174.700 -0.056 0.000 1.039 60 T CA 1.926 63.992 62.100 -0.056 0.000 1.142 60 T CB -1.148 67.689 68.868 -0.052 0.000 0.868 60 T HN 0.342 nan 8.240 nan 0.000 0.435 61 T N 1.325 115.805 114.554 -0.123 0.000 2.833 61 T HA 0.047 4.396 4.350 -0.001 0.000 0.269 61 T C 1.341 175.960 174.700 -0.134 0.000 1.054 61 T CA 0.996 63.033 62.100 -0.106 0.000 1.135 61 T CB -0.552 68.263 68.868 -0.087 0.000 0.869 61 T HN 0.384 nan 8.240 nan 0.000 0.466 62 F N 0.749 120.376 119.950 -0.537 0.000 2.128 62 F HA 0.010 4.536 4.527 -0.001 0.000 0.295 62 F C 2.130 177.764 175.800 -0.276 0.000 1.100 62 F CA 0.447 58.091 58.000 -0.593 0.000 1.260 62 F CB -0.542 37.862 39.000 -0.992 0.000 1.009 62 F HN 0.130 nan 8.300 nan 0.000 0.476 63 Y N 1.300 121.456 120.300 -0.239 0.000 2.081 63 Y HA -0.349 4.200 4.550 -0.001 0.000 0.280 63 Y C 2.530 178.260 175.900 -0.283 0.000 1.163 63 Y CA 2.487 60.448 58.100 -0.232 0.000 1.135 63 Y CB -0.705 37.660 38.460 -0.159 0.000 0.970 63 Y HN 0.202 nan 8.280 nan 0.000 0.498 64 Q N -1.255 118.488 119.800 -0.096 0.000 2.084 64 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 64 Q C 1.967 177.743 176.000 -0.374 0.000 0.978 64 Q CA 2.013 57.701 55.803 -0.192 0.000 0.844 64 Q CB -0.318 28.326 28.738 -0.157 0.000 0.898 64 Q HN 0.670 nan 8.270 nan 0.000 0.426 65 H N -0.251 118.565 119.070 -0.423 0.000 2.387 65 H HA -0.084 4.471 4.556 -0.001 0.000 0.299 65 H C 1.772 176.764 175.328 -0.561 0.000 1.090 65 H CA 1.057 56.831 56.048 -0.458 0.000 1.332 65 H CB 0.108 29.567 29.762 -0.505 0.000 1.386 65 H HN 0.119 nan 8.280 nan 0.000 0.516 66 L N 0.064 120.890 121.223 -0.662 0.000 2.179 66 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 66 L C 2.213 178.725 176.870 -0.596 0.000 1.096 66 L CA 1.322 55.728 54.840 -0.725 0.000 0.779 66 L CB -0.825 40.669 42.059 -0.942 0.000 0.922 66 L HN 0.333 nan 8.230 nan 0.000 0.443 67 A N -0.549 121.885 122.820 -0.644 0.000 1.873 67 A HA -0.189 4.130 4.320 -0.001 0.000 0.215 67 A C 1.799 179.191 177.584 -0.320 0.000 1.186 67 A CA 1.570 53.277 52.037 -0.550 0.000 0.616 67 A CB -0.446 18.214 19.000 -0.567 0.000 0.823 67 A HN 0.410 nan 8.150 nan 0.000 0.442 68 D N 0.026 120.257 120.400 -0.282 0.000 2.348 68 D HA -0.047 4.592 4.640 -0.001 0.000 0.216 68 D C 1.960 178.153 176.300 -0.178 0.000 0.970 68 D CA 1.239 55.120 54.000 -0.199 0.000 0.889 68 D CB -0.017 40.670 40.800 -0.189 0.000 0.912 68 D HN 0.574 nan 8.370 nan 0.000 0.524 69 S N -0.956 114.615 115.700 -0.215 0.000 2.528 69 S HA 0.086 4.555 4.470 -0.001 0.000 0.219 69 S C 0.977 175.484 174.600 -0.156 0.000 0.985 69 S CA -0.002 58.093 58.200 -0.175 0.000 0.914 69 S CB 0.890 63.970 63.200 -0.201 0.000 0.776 69 S HN -0.025 nan 8.310 nan 0.000 0.526 70 K N 1.352 121.644 120.400 -0.180 0.000 2.245 70 K HA 0.391 4.710 4.320 -0.001 0.000 0.234 70 K C -0.641 175.896 176.600 -0.104 0.000 1.021 70 K CA -0.848 55.353 56.287 -0.143 0.000 0.898 70 K CB 0.794 33.183 32.500 -0.186 0.000 1.163 70 K HN 0.099 nan 8.250 nan 0.000 0.459 71 N N 0.715 119.373 118.700 -0.069 0.000 2.417 71 N HA 0.068 4.807 4.740 -0.001 0.000 0.300 71 N C -0.374 175.118 175.510 -0.031 0.000 1.102 71 N CA -0.191 52.833 53.050 -0.044 0.000 0.886 71 N CB 1.528 40.000 38.487 -0.025 0.000 1.203 71 N HN 0.542 nan 8.380 nan 0.000 0.496 72 D N 1.481 121.872 120.400 -0.015 0.000 2.354 72 D HA -0.155 4.484 4.640 -0.001 0.000 0.216 72 D C 1.226 177.540 176.300 0.023 0.000 0.970 72 D CA 0.848 54.852 54.000 0.007 0.000 0.905 72 D CB 0.061 40.871 40.800 0.018 0.000 0.903 72 D HN 0.695 nan 8.370 nan 0.000 0.508 73 N N 0.210 118.922 118.700 0.020 0.000 2.270 73 N HA -0.092 4.647 4.740 -0.001 0.000 0.181 73 N C 0.025 175.550 175.510 0.026 0.000 1.016 73 N CA 0.457 53.528 53.050 0.035 0.000 0.870 73 N CB 0.439 38.945 38.487 0.032 0.000 0.979 73 N HN -0.008 nan 8.380 nan 0.000 0.431 74 D N 1.095 121.500 120.400 0.008 0.000 2.350 74 D HA -0.005 4.634 4.640 -0.001 0.000 0.249 74 D C -0.578 175.723 176.300 0.001 0.000 1.119 74 D CA 0.032 54.034 54.000 0.002 0.000 0.886 74 D CB 0.633 41.426 40.800 -0.012 0.000 1.195 74 D HN 0.495 nan 8.370 nan 0.000 0.437 75 N N 1.763 120.463 118.700 0.001 0.000 2.530 75 N HA 0.396 5.135 4.740 -0.001 0.000 0.277 75 N C -0.144 175.397 175.510 0.050 0.000 1.168 75 N CA -0.529 52.520 53.050 -0.002 0.000 0.979 75 N CB 1.642 40.102 38.487 -0.046 0.000 1.141 75 N HN 0.415 nan 8.380 nan 0.000 0.459 76 I N -2.164 118.467 120.570 0.101 0.000 2.569 76 I HA 0.641 4.810 4.170 -0.001 0.000 0.290 76 I C -1.894 174.416 176.117 0.323 0.000 1.088 76 I CA -1.024 60.359 61.300 0.138 0.000 1.047 76 I CB 1.776 39.755 38.000 -0.037 0.000 1.237 76 I HN 0.476 nan 8.210 nan 0.000 0.421 77 F N 7.579 127.654 119.950 0.208 0.000 2.581 77 F HA 0.844 5.371 4.527 -0.001 0.000 0.311 77 F C -1.355 174.685 175.800 0.401 0.000 1.113 77 F CA -0.651 57.505 58.000 0.259 0.000 0.935 77 F CB 2.028 41.149 39.000 0.202 0.000 1.232 77 F HN 0.707 nan 8.300 nan 0.000 0.445 78 L N 1.669 122.755 121.223 -0.227 0.000 2.801 78 L HA 0.826 5.166 4.340 -0.001 0.000 0.264 78 L C -1.607 175.139 176.870 -0.205 0.000 1.086 78 L CA -0.933 53.884 54.840 -0.039 0.000 0.920 78 L CB 1.800 43.935 42.059 0.126 0.000 1.529 78 L HN 0.507 nan 8.230 nan 0.000 0.399 79 S N -0.455 115.216 115.700 -0.048 0.000 2.756 79 S HA 0.603 5.072 4.470 -0.001 0.000 0.303 79 S C -2.259 172.298 174.600 -0.072 0.000 1.135 79 S CA -1.183 56.935 58.200 -0.137 0.000 1.066 79 S CB 1.564 64.645 63.200 -0.199 0.000 1.008 79 S HN 0.592 nan 8.310 nan 0.000 0.482 80 P HA -0.113 nan 4.420 nan 0.000 0.215 80 P C 1.724 179.090 177.300 0.111 0.000 1.157 80 P CA 0.655 63.772 63.100 0.027 0.000 0.868 80 P CB 0.109 31.824 31.700 0.026 0.000 0.788 81 L N -0.581 120.674 121.223 0.053 0.000 1.990 81 L HA -0.253 4.086 4.340 -0.001 0.000 0.213 81 L C 2.517 179.485 176.870 0.164 0.000 1.072 81 L CA 2.323 57.240 54.840 0.128 0.000 0.755 81 L CB -1.086 41.002 42.059 0.048 0.000 0.889 81 L HN 0.094 nan 8.230 nan 0.000 0.432 82 S N 0.166 115.924 115.700 0.097 0.000 2.369 82 S HA -0.274 4.196 4.470 -0.001 0.000 0.225 82 S C 1.883 176.582 174.600 0.166 0.000 1.043 82 S CA 2.125 60.396 58.200 0.119 0.000 1.074 82 S CB -0.467 62.815 63.200 0.138 0.000 0.962 82 S HN 0.404 nan 8.310 nan 0.000 0.433 83 I N 1.172 121.879 120.570 0.227 0.000 2.208 83 I HA -0.142 4.028 4.170 -0.001 0.000 0.245 83 I C 2.655 178.949 176.117 0.295 0.000 1.097 83 I CA 1.488 62.961 61.300 0.288 0.000 1.363 83 I CB -0.503 37.600 38.000 0.172 0.000 1.051 83 I HN 0.281 nan 8.210 nan 0.000 0.413 84 S N -0.207 115.657 115.700 0.272 0.000 2.428 84 S HA -0.117 4.352 4.470 -0.001 0.000 0.230 84 S C 2.022 176.704 174.600 0.137 0.000 1.014 84 S CA 1.520 59.876 58.200 0.260 0.000 0.957 84 S CB -0.263 63.172 63.200 0.392 0.000 0.784 84 S HN 0.469 nan 8.310 nan 0.000 0.499 85 T N 2.363 116.939 114.554 0.037 0.000 2.698 85 T HA 0.035 4.384 4.350 -0.001 0.000 0.260 85 T C 2.256 176.719 174.700 -0.395 0.000 1.044 85 T CA 1.159 63.055 62.100 -0.341 0.000 1.149 85 T CB -0.548 68.229 68.868 -0.152 0.000 0.864 85 T HN 0.435 nan 8.240 nan 0.000 0.419 86 A N 1.038 123.736 122.820 -0.203 0.000 1.892 86 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 86 A C 2.007 179.365 177.584 -0.378 0.000 1.188 86 A CA 1.687 53.563 52.037 -0.268 0.000 0.631 86 A CB -1.135 17.771 19.000 -0.156 0.000 0.822 86 A HN 0.472 nan 8.150 nan 0.000 0.447 87 F N -0.096 119.622 119.950 -0.386 0.000 2.234 87 F HA 0.020 4.547 4.527 -0.001 0.000 0.299 87 F C 2.664 178.193 175.800 -0.451 0.000 1.087 87 F CA 0.874 58.566 58.000 -0.513 0.000 1.340 87 F CB -0.325 38.063 39.000 -1.020 0.000 1.031 87 F HN 0.243 nan 8.300 nan 0.000 0.500 88 A N -0.795 121.881 122.820 -0.240 0.000 2.216 88 A HA -0.124 4.195 4.320 -0.001 0.000 0.214 88 A C 2.115 179.538 177.584 -0.268 0.000 1.160 88 A CA 1.142 53.045 52.037 -0.222 0.000 0.725 88 A CB -0.681 18.148 19.000 -0.285 0.000 0.784 88 A HN 0.467 nan 8.150 nan 0.000 0.472 89 M N -1.398 117.901 119.600 -0.501 0.000 2.412 89 M HA -0.043 4.436 4.480 -0.001 0.000 0.263 89 M C 1.988 178.135 176.300 -0.254 0.000 1.122 89 M CA 1.736 56.707 55.300 -0.548 0.000 1.179 89 M CB 0.042 32.194 32.600 -0.747 0.000 1.335 89 M HN 0.337 nan 8.290 nan 0.000 0.465 90 T N 0.802 115.187 114.554 -0.281 0.000 2.803 90 T HA -0.196 4.153 4.350 -0.001 0.000 0.269 90 T C 1.684 176.316 174.700 -0.114 0.000 1.052 90 T CA 1.387 63.350 62.100 -0.227 0.000 1.136 90 T CB -0.305 68.330 68.868 -0.389 0.000 0.864 90 T HN 0.389 nan 8.240 nan 0.000 0.467 91 K N 0.604 120.958 120.400 -0.077 0.000 2.160 91 K HA -0.048 4.272 4.320 -0.001 0.000 0.206 91 K C 1.988 178.601 176.600 0.020 0.000 1.047 91 K CA 1.015 57.307 56.287 0.010 0.000 0.930 91 K CB -0.368 32.179 32.500 0.079 0.000 0.720 91 K HN 0.365 nan 8.250 nan 0.000 0.450 92 L N -0.798 120.415 121.223 -0.017 0.000 2.450 92 L HA -0.104 4.235 4.340 -0.001 0.000 0.224 92 L C 2.090 179.015 176.870 0.092 0.000 1.149 92 L CA 0.952 55.775 54.840 -0.028 0.000 0.816 92 L CB -0.184 41.816 42.059 -0.099 0.000 0.932 92 L HN 0.293 nan 8.230 nan 0.000 0.449 93 G N -0.862 107.967 108.800 0.048 0.000 2.833 93 G HA2 0.311 4.270 3.960 -0.001 0.000 0.210 93 G HA3 0.311 4.270 3.960 -0.001 0.000 0.210 93 G C 0.771 175.636 174.900 -0.058 0.000 1.139 93 G CA 0.461 45.519 45.100 -0.071 0.000 0.771 93 G HN 0.335 nan 8.290 nan 0.000 0.535 94 A N -0.971 121.831 122.820 -0.030 0.000 2.267 94 A HA 0.685 5.005 4.320 -0.001 0.000 0.271 94 A C -0.055 177.533 177.584 0.006 0.000 1.131 94 A CA 0.171 52.199 52.037 -0.015 0.000 0.818 94 A CB 0.469 19.470 19.000 0.002 0.000 1.118 94 A HN 0.761 nan 8.150 nan 0.000 0.501 95 c N -2.053 116.557 118.600 0.017 0.000 3.249 95 c HA 0.472 5.041 4.570 -0.001 0.000 0.350 95 c C 1.056 175.165 174.090 0.031 0.000 1.431 95 c CA 0.158 56.501 56.329 0.023 0.000 1.209 95 c CB -0.252 42.266 42.510 0.013 0.000 1.546 95 c HN 1.153 nan 8.230 nan 0.000 0.450 96 N N 1.050 119.769 118.700 0.031 0.000 1.366 96 N HA -0.259 4.480 4.740 -0.001 0.000 0.141 96 N C 0.447 175.984 175.510 0.044 0.000 0.460 96 N CA 2.728 55.798 53.050 0.034 0.000 1.090 96 N CB -1.060 37.444 38.487 0.028 0.000 1.396 96 N HN 0.914 nan 8.380 nan 0.000 0.443 97 D N -0.614 119.813 120.400 0.045 0.000 2.240 97 D HA 0.121 4.760 4.640 -0.001 0.000 0.206 97 D C 1.694 178.034 176.300 0.066 0.000 0.963 97 D CA 1.378 55.411 54.000 0.055 0.000 0.863 97 D CB -0.209 40.621 40.800 0.051 0.000 0.973 97 D HN 0.462 nan 8.370 nan 0.000 0.501 98 T N 0.688 115.278 114.554 0.060 0.000 2.708 98 T HA -0.135 4.214 4.350 -0.001 0.000 0.266 98 T C 1.865 176.613 174.700 0.080 0.000 1.037 98 T CA 0.548 62.688 62.100 0.067 0.000 1.146 98 T CB -0.314 68.579 68.868 0.041 0.000 0.865 98 T HN 0.043 nan 8.240 nan 0.000 0.435 99 L N 1.051 122.315 121.223 0.069 0.000 2.042 99 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 99 L C 2.658 179.594 176.870 0.109 0.000 1.076 99 L CA 1.795 56.684 54.840 0.082 0.000 0.749 99 L CB -0.596 41.504 42.059 0.068 0.000 0.893 99 L HN 0.270 nan 8.230 nan 0.000 0.432 100 Q N -1.095 118.764 119.800 0.098 0.000 1.993 100 Q HA -0.270 4.069 4.340 -0.001 0.000 0.202 100 Q C 2.242 178.320 176.000 0.129 0.000 0.984 100 Q CA 2.075 57.942 55.803 0.107 0.000 0.837 100 Q CB -0.216 28.573 28.738 0.085 0.000 0.902 100 Q HN 0.622 nan 8.270 nan 0.000 0.423 101 Q N 0.019 119.894 119.800 0.125 0.000 2.152 101 Q HA -0.202 4.137 4.340 -0.001 0.000 0.206 101 Q C 2.262 178.380 176.000 0.196 0.000 0.985 101 Q CA 1.527 57.416 55.803 0.144 0.000 0.863 101 Q CB -0.130 28.692 28.738 0.140 0.000 0.904 101 Q HN 0.421 nan 8.270 nan 0.000 0.422 102 L N -0.310 121.042 121.223 0.216 0.000 2.056 102 L HA -0.193 4.147 4.340 -0.001 0.000 0.207 102 L C 2.467 179.561 176.870 0.375 0.000 1.078 102 L CA 0.753 55.770 54.840 0.296 0.000 0.749 102 L CB -0.324 41.861 42.059 0.209 0.000 0.901 102 L HN 0.311 nan 8.230 nan 0.000 0.433 103 M N -0.665 119.126 119.600 0.319 0.000 2.202 103 M HA -0.236 4.244 4.480 -0.001 0.000 0.262 103 M C 2.170 178.635 176.300 0.275 0.000 1.063 103 M CA 1.610 57.137 55.300 0.378 0.000 1.097 103 M CB -0.850 31.899 32.600 0.248 0.000 1.382 103 M HN 0.353 nan 8.290 nan 0.000 0.413 104 E N 0.174 120.491 120.200 0.195 0.000 2.250 104 E HA -0.072 4.277 4.350 -0.001 0.000 0.192 104 E C 1.698 178.348 176.600 0.084 0.000 0.986 104 E CA 0.724 57.199 56.400 0.124 0.000 0.849 104 E CB 0.432 30.199 29.700 0.111 0.000 0.797 104 E HN 0.396 nan 8.360 nan 0.000 0.482 105 V N -2.250 117.719 119.914 0.091 0.000 3.431 105 V HA 0.170 4.289 4.120 -0.001 0.000 0.253 105 V C 1.260 177.217 176.094 -0.229 0.000 1.184 105 V CA 0.208 62.497 62.300 -0.019 0.000 1.104 105 V CB -0.435 31.372 31.823 -0.027 0.000 0.799 105 V HN 0.061 nan 8.190 nan 0.000 0.462 106 F N 1.685 121.446 119.950 -0.315 0.000 2.676 106 F HA 0.449 4.975 4.527 -0.001 0.000 0.300 106 F C 1.093 176.432 175.800 -0.768 0.000 1.160 106 F CA -0.667 56.880 58.000 -0.755 0.000 1.401 106 F CB -0.164 38.330 39.000 -0.844 0.000 1.037 106 F HN 0.029 nan 8.300 nan 0.000 0.522 107 K N -1.021 119.234 120.400 -0.241 0.000 2.948 107 K HA -0.269 4.051 4.320 -0.001 0.000 0.253 107 K C 0.647 177.167 176.600 -0.134 0.000 0.970 107 K CA 0.634 56.835 56.287 -0.143 0.000 0.716 107 K CB -2.734 29.707 32.500 -0.099 0.000 1.249 107 K HN 0.333 nan 8.250 nan 0.000 0.483 108 F N 0.787 120.801 119.950 0.107 0.000 2.407 108 F HA -0.077 4.450 4.527 -0.001 0.000 0.299 108 F C 2.256 178.109 175.800 0.088 0.000 1.097 108 F CA 0.864 58.923 58.000 0.098 0.000 1.422 108 F CB -0.184 38.878 39.000 0.104 0.000 1.067 108 F HN 0.172 nan 8.300 nan 0.000 0.539 109 D N 0.069 120.608 120.400 0.233 0.000 2.311 109 D HA -0.146 4.494 4.640 -0.001 0.000 0.212 109 D C 1.565 177.934 176.300 0.116 0.000 0.972 109 D CA 1.423 55.517 54.000 0.157 0.000 0.887 109 D CB 0.142 41.016 40.800 0.123 0.000 0.915 109 D HN 0.254 nan 8.370 nan 0.000 0.497 110 T N 0.069 114.681 114.554 0.097 0.000 3.054 110 T HA 0.121 4.471 4.350 -0.001 0.000 0.259 110 T C 1.387 176.132 174.700 0.074 0.000 1.092 110 T CA -0.135 62.003 62.100 0.063 0.000 1.121 110 T CB 0.723 69.605 68.868 0.023 0.000 0.912 110 T HN 0.103 nan 8.240 nan 0.000 0.489 117 D N 2.267 122.694 120.400 0.045 0.000 2.172 117 D HA -0.226 4.413 4.640 -0.001 0.000 0.196 117 D C 1.443 177.744 176.300 0.001 0.000 0.999 117 D CA 1.373 55.420 54.000 0.079 0.000 0.856 117 D CB -0.430 40.381 40.800 0.018 0.000 0.934 117 D HN 0.283 nan 8.370 nan 0.000 0.453 118 Q N -0.021 119.700 119.800 -0.131 0.000 2.170 118 Q HA -0.062 4.277 4.340 -0.001 0.000 0.203 118 Q C 2.487 178.044 176.000 -0.738 0.000 0.976 118 Q CA 0.300 55.868 55.803 -0.392 0.000 0.858 118 Q CB -0.411 28.120 28.738 -0.346 0.000 0.907 118 Q HN 0.379 nan 8.270 nan 0.000 0.433 119 I N 0.583 120.908 120.570 -0.409 0.000 2.185 119 I HA -0.299 3.871 4.170 -0.001 0.000 0.246 119 I C 2.161 178.088 176.117 -0.317 0.000 1.088 119 I CA 1.519 62.648 61.300 -0.285 0.000 1.347 119 I CB -0.556 37.186 38.000 -0.430 0.000 1.041 119 I HN 0.304 nan 8.210 nan 0.000 0.415 120 H N -1.702 117.296 119.070 -0.120 0.000 2.462 120 H HA -0.119 4.436 4.556 -0.001 0.000 0.292 120 H C 2.105 177.365 175.328 -0.113 0.000 1.049 120 H CA 1.386 57.388 56.048 -0.077 0.000 1.334 120 H CB -0.377 29.312 29.762 -0.121 0.000 1.404 120 H HN 0.342 nan 8.280 nan 0.000 0.544 121 F N 1.658 121.463 119.950 -0.241 0.000 2.102 121 F HA -0.195 4.332 4.527 -0.001 0.000 0.298 121 F C 1.872 177.648 175.800 -0.039 0.000 1.105 121 F CA 0.954 58.824 58.000 -0.218 0.000 1.239 121 F CB -0.696 38.091 39.000 -0.355 0.000 0.991 121 F HN -0.129 nan 8.300 nan 0.000 0.474 122 F N -0.463 119.372 119.950 -0.191 0.000 2.134 122 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 122 F C 2.355 178.064 175.800 -0.152 0.000 1.097 122 F CA 0.873 58.702 58.000 -0.285 0.000 1.264 122 F CB -1.881 37.050 39.000 -0.116 0.000 1.001 122 F HN 0.005 nan 8.300 nan 0.000 0.479 123 F N 0.489 120.479 119.950 0.066 0.000 2.216 123 F HA -0.068 4.458 4.527 -0.001 0.000 0.300 123 F C 2.375 178.204 175.800 0.048 0.000 1.085 123 F CA 0.908 58.973 58.000 0.108 0.000 1.326 123 F CB -0.731 38.394 39.000 0.208 0.000 1.027 123 F HN -0.056 nan 8.300 nan 0.000 0.497 124 A N -0.620 122.279 122.820 0.132 0.000 1.968 124 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 124 A C 2.325 179.923 177.584 0.023 0.000 1.169 124 A CA 0.993 53.059 52.037 0.047 0.000 0.638 124 A CB -0.372 18.587 19.000 -0.068 0.000 0.812 124 A HN 0.100 nan 8.150 nan 0.000 0.446 125 K N -0.131 120.208 120.400 -0.101 0.000 2.026 125 K HA -0.096 4.224 4.320 -0.001 0.000 0.208 125 K C 1.993 178.571 176.600 -0.037 0.000 1.048 125 K CA 1.049 57.260 56.287 -0.127 0.000 0.929 125 K CB -0.739 31.586 32.500 -0.292 0.000 0.713 125 K HN 0.487 nan 8.250 nan 0.000 0.439 126 L N 2.088 123.297 121.223 -0.022 0.000 1.970 126 L HA -0.227 4.112 4.340 -0.001 0.000 0.212 126 L C 1.554 178.442 176.870 0.031 0.000 1.071 126 L CA 2.006 56.830 54.840 -0.027 0.000 0.751 126 L CB -1.057 40.939 42.059 -0.105 0.000 0.889 126 L HN 0.211 nan 8.230 nan 0.000 0.432 127 N N -0.231 118.575 118.700 0.177 0.000 2.272 127 N HA -0.182 4.558 4.740 -0.001 0.000 0.185 127 N C 1.887 177.524 175.510 0.212 0.000 1.014 127 N CA 1.571 54.801 53.050 0.300 0.000 0.870 127 N CB -0.658 38.143 38.487 0.523 0.000 0.975 127 N HN 0.462 nan 8.380 nan 0.000 0.433 128 C N 0.397 119.772 119.300 0.125 0.000 2.457 128 C HA 0.038 4.498 4.460 -0.001 0.000 0.278 128 C C 2.469 177.488 174.990 0.048 0.000 1.309 128 C CA 0.260 59.334 59.018 0.093 0.000 1.735 128 C CB -0.742 27.032 27.740 0.056 0.000 1.992 128 C HN 0.358 nan 8.230 nan 0.000 0.493 129 R N -0.096 120.409 120.500 0.008 0.000 2.323 129 R HA 0.091 4.431 4.340 -0.001 0.000 0.198 129 R C 1.420 177.683 176.300 -0.061 0.000 0.988 129 R CA 0.458 56.549 56.100 -0.014 0.000 1.041 129 R CB -0.142 30.147 30.300 -0.018 0.000 0.926 129 R HN 0.426 nan 8.270 nan 0.000 0.476 130 L N -1.924 119.216 121.223 -0.138 0.000 2.717 130 L HA 0.296 4.636 4.340 -0.001 0.000 0.239 130 L C -0.856 175.726 176.870 -0.479 0.000 1.086 130 L CA 0.424 55.054 54.840 -0.350 0.000 0.897 130 L CB 0.545 42.286 42.059 -0.530 0.000 1.214 130 L HN -0.087 nan 8.230 nan 0.000 0.508 131 Y N 1.162 121.506 120.300 0.074 0.000 2.328 131 Y HA 0.681 5.231 4.550 -0.001 0.000 0.333 131 Y C -0.116 175.827 175.900 0.072 0.000 0.958 131 Y CA -0.856 57.293 58.100 0.081 0.000 1.167 131 Y CB 0.901 39.414 38.460 0.089 0.000 1.151 131 Y HN 0.070 nan 8.280 nan 0.000 0.470 139 K N 2.006 122.445 120.400 0.065 0.000 2.419 139 K HA 0.493 4.812 4.320 -0.001 0.000 0.244 139 K C -1.535 175.218 176.600 0.255 0.000 1.045 139 K CA -0.317 56.048 56.287 0.130 0.000 1.004 139 K CB 1.323 33.887 32.500 0.107 0.000 1.376 139 K HN 0.159 nan 8.250 nan 0.000 0.460 140 L N 3.812 125.212 121.223 0.295 0.000 2.342 140 L HA 0.473 4.812 4.340 -0.001 0.000 0.276 140 L C -1.256 175.873 176.870 0.431 0.000 0.997 140 L CA -0.803 54.259 54.840 0.369 0.000 0.838 140 L CB 1.665 43.877 42.059 0.255 0.000 1.224 140 L HN 0.218 nan 8.230 nan 0.000 0.416 141 V N 3.952 124.129 119.914 0.439 0.000 3.049 141 V HA 0.842 4.961 4.120 -0.001 0.000 0.309 141 V C -0.898 175.228 176.094 0.053 0.000 1.148 141 V CA -0.069 62.400 62.300 0.282 0.000 0.990 141 V CB 2.643 34.586 31.823 0.199 0.000 1.039 141 V HN 0.850 nan 8.190 nan 0.000 0.430 142 S N 3.016 118.521 115.700 -0.325 0.000 2.667 142 S HA 1.002 5.471 4.470 -0.001 0.000 0.292 142 S C -0.832 173.631 174.600 -0.229 0.000 1.126 142 S CA 0.111 58.062 58.200 -0.415 0.000 0.881 142 S CB 1.882 64.460 63.200 -1.036 0.000 1.132 142 S HN 1.939 nan 8.310 nan 0.000 0.492 143 A N 2.422 125.165 122.820 -0.128 0.000 2.566 143 A HA 0.750 5.069 4.320 -0.001 0.000 0.297 143 A C -1.620 176.039 177.584 0.125 0.000 1.059 143 A CA -0.779 51.268 52.037 0.016 0.000 0.691 143 A CB 1.256 20.225 19.000 -0.052 0.000 1.282 143 A HN 0.699 nan 8.150 nan 0.000 0.401 144 N N 0.622 119.434 118.700 0.185 0.000 2.242 144 N HA 0.742 5.481 4.740 -0.001 0.000 0.292 144 N C -1.002 174.552 175.510 0.073 0.000 1.125 144 N CA -0.468 52.651 53.050 0.116 0.000 0.783 144 N CB 2.531 41.013 38.487 -0.009 0.000 1.558 144 N HN 0.800 nan 8.380 nan 0.000 0.472 145 R N 1.247 121.726 120.500 -0.035 0.000 2.604 145 R HA 0.403 4.742 4.340 -0.001 0.000 0.261 145 R C -1.771 174.330 176.300 -0.332 0.000 1.080 145 R CA -0.508 55.373 56.100 -0.365 0.000 0.917 145 R CB 1.176 30.955 30.300 -0.868 0.000 1.252 145 R HN 0.454 nan 8.270 nan 0.000 0.456 146 L N 4.014 124.945 121.223 -0.486 0.000 2.309 146 L HA 0.592 4.931 4.340 -0.001 0.000 0.282 146 L C -1.016 175.546 176.870 -0.512 0.000 1.036 146 L CA -0.603 54.043 54.840 -0.323 0.000 0.806 146 L CB 1.238 43.123 42.059 -0.289 0.000 1.220 146 L HN 0.468 nan 8.230 nan 0.000 0.429 147 F N 1.114 120.973 119.950 -0.151 0.000 2.496 147 F HA 0.678 5.204 4.527 -0.001 0.000 0.341 147 F C 0.597 176.474 175.800 0.129 0.000 1.134 147 F CA -0.687 57.284 58.000 -0.049 0.000 0.968 147 F CB 1.894 40.930 39.000 0.060 0.000 1.205 147 F HN 0.403 nan 8.300 nan 0.000 0.436 148 G N 1.047 109.942 108.800 0.158 0.000 2.569 148 G HA2 0.397 4.357 3.960 -0.001 0.000 0.300 148 G HA3 0.397 4.357 3.960 -0.001 0.000 0.300 148 G C -1.681 173.460 174.900 0.401 0.000 1.269 148 G CA -0.692 44.580 45.100 0.288 0.000 0.959 148 G HN 0.371 nan 8.290 nan 0.000 0.478 149 D N -0.059 120.691 120.400 0.584 0.000 2.425 149 D HA 0.063 4.702 4.640 -0.001 0.000 0.247 149 D C 1.490 177.881 176.300 0.153 0.000 1.147 149 D CA -0.037 54.110 54.000 0.245 0.000 0.879 149 D CB 1.295 42.257 40.800 0.271 0.000 1.179 149 D HN 0.358 nan 8.370 nan 0.000 0.456 150 K N 1.410 121.812 120.400 0.003 0.000 2.127 150 K HA -0.198 4.122 4.320 -0.001 0.000 0.208 150 K C 1.650 178.239 176.600 -0.019 0.000 1.047 150 K CA 1.735 58.014 56.287 -0.013 0.000 0.927 150 K CB 0.097 32.561 32.500 -0.060 0.000 0.716 150 K HN 0.524 nan 8.250 nan 0.000 0.450 151 S N -0.185 115.492 115.700 -0.038 0.000 2.439 151 S HA 0.026 4.495 4.470 -0.001 0.000 0.224 151 S C 0.677 175.200 174.600 -0.129 0.000 1.029 151 S CA -0.195 57.966 58.200 -0.065 0.000 0.946 151 S CB -0.020 63.150 63.200 -0.050 0.000 0.797 151 S HN -0.013 nan 8.310 nan 0.000 0.504 152 L N 3.078 124.171 121.223 -0.217 0.000 2.461 152 L HA 0.285 4.625 4.340 -0.001 0.000 0.272 152 L C 0.216 176.780 176.870 -0.509 0.000 1.197 152 L CA 0.723 55.313 54.840 -0.415 0.000 0.836 152 L CB 0.182 41.846 42.059 -0.659 0.000 1.105 152 L HN 0.131 nan 8.230 nan 0.000 0.477 153 T N 3.777 118.089 114.554 -0.404 0.000 2.738 153 T HA 0.413 4.762 4.350 -0.001 0.000 0.298 153 T C -0.156 174.352 174.700 -0.319 0.000 0.962 153 T CA -0.261 61.683 62.100 -0.261 0.000 0.972 153 T CB -0.287 68.500 68.868 -0.135 0.000 0.928 153 T HN 0.056 nan 8.240 nan 0.000 0.474 154 F N 2.882 122.826 119.950 -0.010 0.000 2.389 154 F HA 0.255 4.781 4.527 -0.001 0.000 0.337 154 F C 1.304 177.113 175.800 0.015 0.000 1.112 154 F CA -1.106 56.892 58.000 -0.004 0.000 1.192 154 F CB 0.512 39.526 39.000 0.025 0.000 1.185 154 F HN 0.430 nan 8.300 nan 0.000 0.552 155 N N 2.361 121.180 118.700 0.198 0.000 2.357 155 N HA -0.109 4.631 4.740 -0.001 0.000 0.257 155 N C 0.801 176.409 175.510 0.165 0.000 1.250 155 N CA 0.184 53.319 53.050 0.142 0.000 0.862 155 N CB 0.689 39.253 38.487 0.128 0.000 1.066 155 N HN 0.598 nan 8.380 nan 0.000 0.468 156 E N 1.991 122.246 120.200 0.091 0.000 2.007 156 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 156 E C 1.727 178.352 176.600 0.041 0.000 0.999 156 E CA 2.662 59.097 56.400 0.057 0.000 0.811 156 E CB -0.569 29.146 29.700 0.024 0.000 0.762 156 E HN 0.822 nan 8.360 nan 0.000 0.450 157 T N -0.202 114.373 114.554 0.035 0.000 2.759 157 T HA -0.246 4.103 4.350 -0.001 0.000 0.269 157 T C 1.776 176.471 174.700 -0.007 0.000 1.042 157 T CA 1.445 63.547 62.100 0.004 0.000 1.140 157 T CB -0.685 68.187 68.868 0.006 0.000 0.864 157 T HN 0.221 nan 8.240 nan 0.000 0.455 158 Y N 2.482 122.759 120.300 -0.037 0.000 2.053 158 Y HA -0.240 4.309 4.550 -0.001 0.000 0.277 158 Y C 2.624 178.483 175.900 -0.069 0.000 1.159 158 Y CA 1.638 59.705 58.100 -0.055 0.000 1.125 158 Y CB -0.750 37.691 38.460 -0.032 0.000 0.969 158 Y HN 0.207 nan 8.280 nan 0.000 0.492 159 Q N -0.165 119.538 119.800 -0.162 0.000 2.181 159 Q HA -0.216 4.123 4.340 -0.001 0.000 0.205 159 Q C 1.750 177.612 176.000 -0.229 0.000 0.980 159 Q CA 1.611 57.277 55.803 -0.229 0.000 0.862 159 Q CB -0.185 28.528 28.738 -0.041 0.000 0.905 159 Q HN 0.605 nan 8.270 nan 0.000 0.429 160 D N 0.267 120.571 120.400 -0.160 0.000 2.149 160 D HA -0.079 4.560 4.640 -0.001 0.000 0.201 160 D C 1.838 178.037 176.300 -0.169 0.000 0.972 160 D CA 0.884 54.803 54.000 -0.135 0.000 0.835 160 D CB 0.005 40.752 40.800 -0.088 0.000 0.966 160 D HN 0.276 nan 8.370 nan 0.000 0.476 161 I N 1.011 121.450 120.570 -0.218 0.000 2.233 161 I HA -0.205 3.965 4.170 -0.001 0.000 0.243 161 I C 2.440 178.405 176.117 -0.253 0.000 1.093 161 I CA 0.663 61.827 61.300 -0.228 0.000 1.380 161 I CB -0.237 37.614 38.000 -0.249 0.000 1.067 161 I HN -0.162 nan 8.210 nan 0.000 0.413 162 S N 0.187 115.675 115.700 -0.353 0.000 2.372 162 S HA -0.309 4.161 4.470 -0.001 0.000 0.227 162 S C 1.999 176.510 174.600 -0.149 0.000 1.044 162 S CA 1.972 60.011 58.200 -0.269 0.000 1.050 162 S CB -0.402 62.512 63.200 -0.477 0.000 0.901 162 S HN 0.506 nan 8.310 nan 0.000 0.447 163 E N 0.390 120.488 120.200 -0.170 0.000 2.028 163 E HA -0.112 4.237 4.350 -0.001 0.000 0.190 163 E C 2.162 178.704 176.600 -0.096 0.000 0.984 163 E CA 0.863 57.192 56.400 -0.119 0.000 0.800 163 E CB -0.170 29.460 29.700 -0.118 0.000 0.758 163 E HN 0.335 nan 8.360 nan 0.000 0.448 164 L N 0.388 121.544 121.223 -0.111 0.000 1.994 164 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 164 L C 2.233 179.029 176.870 -0.123 0.000 1.071 164 L CA 1.463 56.246 54.840 -0.096 0.000 0.745 164 L CB -0.323 41.680 42.059 -0.093 0.000 0.892 164 L HN 0.051 nan 8.230 nan 0.000 0.431 165 V N -1.637 118.150 119.914 -0.213 0.000 2.407 165 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 165 V C 1.549 177.361 176.094 -0.470 0.000 1.041 165 V CA 1.492 63.550 62.300 -0.403 0.000 1.040 165 V CB -0.533 30.917 31.823 -0.622 0.000 0.671 165 V HN 0.464 nan 8.190 nan 0.000 0.455 166 Y N -0.191 120.057 120.300 -0.085 0.000 2.481 166 Y HA 0.498 5.047 4.550 -0.001 0.000 0.247 166 Y C 1.835 177.685 175.900 -0.083 0.000 1.151 166 Y CA 0.020 58.066 58.100 -0.089 0.000 1.238 166 Y CB 0.359 38.732 38.460 -0.144 0.000 1.179 166 Y HN 0.274 nan 8.280 nan 0.000 0.524 167 G N 0.703 109.523 108.800 0.033 0.000 2.155 167 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.257 167 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.257 167 G C 0.328 175.211 174.900 -0.027 0.000 0.983 167 G CA 0.176 45.278 45.100 0.003 0.000 0.676 167 G HN 0.623 nan 8.290 nan 0.000 0.528 168 A N 0.312 123.103 122.820 -0.049 0.000 2.310 168 A HA 0.636 4.956 4.320 -0.001 0.000 0.300 168 A C 0.608 178.074 177.584 -0.197 0.000 1.269 168 A CA -0.067 51.893 52.037 -0.128 0.000 0.909 168 A CB 0.415 19.331 19.000 -0.140 0.000 1.144 168 A HN 0.355 nan 8.150 nan 0.000 0.540 169 K N 1.744 121.991 120.400 -0.255 0.000 2.144 169 K HA 0.312 4.632 4.320 -0.001 0.000 0.270 169 K C -0.656 175.718 176.600 -0.377 0.000 1.005 169 K CA -0.742 55.376 56.287 -0.282 0.000 0.932 169 K CB 1.188 33.525 32.500 -0.272 0.000 1.021 169 K HN 0.530 nan 8.250 nan 0.000 0.462 170 L N 3.412 124.447 121.223 -0.314 0.000 2.281 170 L HA 0.163 4.502 4.340 -0.001 0.000 0.285 170 L C -0.428 176.228 176.870 -0.358 0.000 1.074 170 L CA 0.403 55.033 54.840 -0.350 0.000 0.817 170 L CB 0.809 42.712 42.059 -0.259 0.000 1.168 170 L HN 0.652 nan 8.230 nan 0.000 0.434 171 Q N 7.625 127.141 119.800 -0.473 0.000 2.331 171 Q HA 0.496 4.835 4.340 -0.001 0.000 0.267 171 Q C -2.540 173.340 176.000 -0.200 0.000 1.006 171 Q CA -1.905 53.677 55.803 -0.368 0.000 0.818 171 Q CB 2.324 30.739 28.738 -0.539 0.000 1.276 171 Q HN 0.434 nan 8.270 nan 0.000 0.450 172 P HA 0.123 nan 4.420 nan 0.000 0.271 172 P C -1.030 176.192 177.300 -0.130 0.000 1.216 172 P CA -0.199 62.858 63.100 -0.071 0.000 0.771 172 P CB 0.915 32.591 31.700 -0.039 0.000 0.864 173 L N 2.592 123.653 121.223 -0.271 0.000 2.376 173 L HA 0.341 4.680 4.340 -0.001 0.000 0.258 173 L C 0.094 176.623 176.870 -0.567 0.000 1.013 173 L CA -0.400 54.167 54.840 -0.456 0.000 0.822 173 L CB 1.821 43.445 42.059 -0.725 0.000 1.388 173 L HN 0.307 nan 8.230 nan 0.000 0.413 174 D N 0.771 120.928 120.400 -0.405 0.000 2.639 174 D HA 0.194 4.833 4.640 -0.001 0.000 0.233 174 D C 0.972 177.152 176.300 -0.199 0.000 1.161 174 D CA -0.181 53.666 54.000 -0.254 0.000 1.003 174 D CB 0.106 40.833 40.800 -0.122 0.000 1.034 174 D HN 0.201 nan 8.370 nan 0.000 0.514 175 F N 1.297 121.263 119.950 0.027 0.000 2.134 175 F HA -0.054 4.472 4.527 -0.001 0.000 0.299 175 F C 2.410 178.218 175.800 0.014 0.000 1.097 175 F CA 0.799 58.810 58.000 0.018 0.000 1.264 175 F CB -0.483 38.532 39.000 0.026 0.000 1.001 175 F HN 0.263 nan 8.300 nan 0.000 0.479 176 K N 0.033 120.537 120.400 0.174 0.000 2.044 176 K HA -0.258 4.062 4.320 -0.001 0.000 0.210 176 K C 2.166 178.804 176.600 0.063 0.000 1.049 176 K CA 2.157 58.504 56.287 0.100 0.000 0.927 176 K CB -0.099 32.437 32.500 0.060 0.000 0.713 176 K HN 0.408 nan 8.250 nan 0.000 0.443 177 E N -1.284 118.939 120.200 0.039 0.000 2.354 177 E HA -0.024 4.325 4.350 -0.001 0.000 0.203 177 E C -0.088 176.526 176.600 0.023 0.000 0.841 177 E CA -0.013 56.402 56.400 0.024 0.000 1.046 177 E CB 0.473 30.176 29.700 0.006 0.000 1.040 177 E HN 0.066 nan 8.360 nan 0.000 0.504 178 N N 0.603 119.312 118.700 0.014 0.000 2.886 178 N HA 0.249 4.988 4.740 -0.001 0.000 0.285 178 N C 0.219 175.749 175.510 0.033 0.000 1.706 178 N CA 0.358 53.416 53.050 0.013 0.000 0.904 178 N CB 0.930 39.412 38.487 -0.009 0.000 1.224 178 N HN 0.223 nan 8.380 nan 0.000 0.488 179 A N 1.119 123.985 122.820 0.078 0.000 1.859 179 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 179 A C 1.923 179.571 177.584 0.107 0.000 1.198 179 A CA 1.285 53.408 52.037 0.143 0.000 0.629 179 A CB -0.349 18.722 19.000 0.117 0.000 0.830 179 A HN 0.473 nan 8.150 nan 0.000 0.446 180 E N -0.368 119.864 120.200 0.054 0.000 2.077 180 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 180 E C 2.247 178.860 176.600 0.021 0.000 0.989 180 E CA 1.389 57.807 56.400 0.029 0.000 0.800 180 E CB -0.360 29.347 29.700 0.013 0.000 0.746 180 E HN 0.754 nan 8.360 nan 0.000 0.452 181 Q N -0.181 119.627 119.800 0.014 0.000 2.170 181 Q HA -0.095 4.244 4.340 -0.001 0.000 0.203 181 Q C 2.289 178.290 176.000 0.000 0.000 0.976 181 Q CA 1.306 57.109 55.803 0.001 0.000 0.858 181 Q CB 0.017 28.751 28.738 -0.007 0.000 0.907 181 Q HN 0.103 nan 8.270 nan 0.000 0.433 182 S N 0.735 116.445 115.700 0.017 0.000 2.356 182 S HA -0.200 4.269 4.470 -0.001 0.000 0.223 182 S C 1.810 176.452 174.600 0.070 0.000 1.032 182 S CA 1.671 59.886 58.200 0.025 0.000 1.005 182 S CB -0.186 63.025 63.200 0.019 0.000 0.867 182 S HN 0.403 nan 8.310 nan 0.000 0.449 183 R N 2.274 122.824 120.500 0.083 0.000 2.092 183 R HA 0.169 4.508 4.340 -0.001 0.000 0.231 183 R C 2.025 178.296 176.300 -0.049 0.000 1.119 183 R CA 1.613 57.713 56.100 -0.000 0.000 0.970 183 R CB -0.971 29.314 30.300 -0.025 0.000 0.864 183 R HN 0.226 nan 8.270 nan 0.000 0.440 184 A N 0.773 123.576 122.820 -0.028 0.000 2.019 184 A HA 0.036 4.355 4.320 -0.001 0.000 0.219 184 A C 2.433 179.998 177.584 -0.031 0.000 1.164 184 A CA 1.561 53.579 52.037 -0.032 0.000 0.644 184 A CB -0.841 18.148 19.000 -0.019 0.000 0.805 184 A HN 0.594 nan 8.150 nan 0.000 0.449 185 A N -0.085 122.715 122.820 -0.034 0.000 1.930 185 A HA 0.056 4.375 4.320 -0.001 0.000 0.215 185 A C 2.055 179.601 177.584 -0.063 0.000 1.176 185 A CA 1.224 53.247 52.037 -0.023 0.000 0.632 185 A CB -0.475 18.518 19.000 -0.012 0.000 0.819 185 A HN 0.486 nan 8.150 nan 0.000 0.445 186 I N 0.127 120.576 120.570 -0.203 0.000 2.202 186 I HA -0.247 3.922 4.170 -0.001 0.000 0.242 186 I C 2.074 178.121 176.117 -0.117 0.000 1.091 186 I CA 1.167 62.209 61.300 -0.429 0.000 1.368 186 I CB -0.575 37.065 38.000 -0.601 0.000 1.058 186 I HN 0.243 nan 8.210 nan 0.000 0.410 187 N N 1.113 119.760 118.700 -0.089 0.000 2.137 187 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 187 N C 1.790 177.297 175.510 -0.005 0.000 1.017 187 N CA 1.176 54.201 53.050 -0.043 0.000 0.859 187 N CB -0.283 38.169 38.487 -0.058 0.000 1.002 187 N HN 0.271 nan 8.380 nan 0.000 0.428 188 K N 0.518 120.926 120.400 0.014 0.000 2.097 188 K HA -0.134 4.186 4.320 -0.001 0.000 0.206 188 K C 1.887 178.541 176.600 0.091 0.000 1.049 188 K CA 0.504 56.812 56.287 0.034 0.000 0.933 188 K CB -0.526 31.998 32.500 0.041 0.000 0.717 188 K HN 0.489 nan 8.250 nan 0.000 0.442 189 W N 1.780 123.061 121.300 -0.030 0.000 2.355 189 W HA -0.193 4.466 4.660 -0.001 0.000 0.309 189 W C 1.535 178.051 176.519 -0.004 0.000 1.206 189 W CA 1.032 58.391 57.345 0.023 0.000 1.284 189 W CB -0.603 28.944 29.460 0.145 0.000 1.145 189 W HN -0.215 nan 8.180 nan 0.000 0.502 190 V N 2.098 121.952 119.914 -0.100 0.000 2.255 190 V HA -0.373 3.747 4.120 -0.001 0.000 0.247 190 V C 2.735 178.675 176.094 -0.257 0.000 1.051 190 V CA 2.660 64.809 62.300 -0.252 0.000 1.018 190 V CB -1.424 30.376 31.823 -0.039 0.000 0.641 190 V HN 0.199 nan 8.190 nan 0.000 0.445 191 S N 0.220 115.827 115.700 -0.155 0.000 2.368 191 S HA -0.328 4.141 4.470 -0.001 0.000 0.226 191 S C 1.902 176.376 174.600 -0.210 0.000 1.044 191 S CA 2.261 60.368 58.200 -0.154 0.000 1.062 191 S CB -0.678 62.459 63.200 -0.104 0.000 0.931 191 S HN 0.689 nan 8.310 nan 0.000 0.440 192 N N 1.049 119.618 118.700 -0.219 0.000 2.069 192 N HA -0.088 4.651 4.740 -0.001 0.000 0.191 192 N C 1.407 176.703 175.510 -0.356 0.000 1.031 192 N CA 1.211 54.114 53.050 -0.244 0.000 0.852 192 N CB -0.106 38.267 38.487 -0.189 0.000 1.018 192 N HN 0.107 nan 8.380 nan 0.000 0.423 193 K N -0.589 119.504 120.400 -0.512 0.000 2.439 193 K HA 0.029 4.348 4.320 -0.001 0.000 0.197 193 K C 0.794 177.159 176.600 -0.392 0.000 1.041 193 K CA 0.980 56.942 56.287 -0.541 0.000 0.970 193 K CB -0.324 31.665 32.500 -0.852 0.000 0.773 193 K HN 0.487 nan 8.250 nan 0.000 0.479 194 T N -2.443 111.916 114.554 -0.326 0.000 3.293 194 T HA 0.231 4.580 4.350 -0.001 0.000 0.276 194 T C 0.150 174.639 174.700 -0.351 0.000 1.003 194 T CA -0.347 61.615 62.100 -0.230 0.000 0.916 194 T CB 0.301 69.141 68.868 -0.046 0.000 1.134 194 T HN 0.005 nan 8.240 nan 0.000 0.530 195 E N 0.579 120.501 120.200 -0.464 0.000 2.971 195 E HA -0.218 4.131 4.350 -0.001 0.000 0.271 195 E C 1.149 177.601 176.600 -0.247 0.000 1.053 195 E CA 1.541 57.705 56.400 -0.393 0.000 0.817 195 E CB -1.566 27.797 29.700 -0.562 0.000 1.410 195 E HN 1.282 nan 8.360 nan 0.000 0.445 196 G N -1.950 106.719 108.800 -0.218 0.000 2.148 196 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.203 196 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.203 196 G C 0.813 175.582 174.900 -0.218 0.000 0.993 196 G CA 0.235 45.225 45.100 -0.183 0.000 0.661 196 G HN 0.169 nan 8.290 nan 0.000 0.518 197 R N -0.350 119.995 120.500 -0.258 0.000 2.103 197 R HA 0.313 4.652 4.340 -0.001 0.000 0.212 197 R C 1.152 177.330 176.300 -0.203 0.000 1.107 197 R CA 0.599 56.462 56.100 -0.395 0.000 1.025 197 R CB -0.072 29.869 30.300 -0.599 0.000 0.929 197 R HN 0.412 nan 8.270 nan 0.000 0.456 198 I N 2.389 122.898 120.570 -0.101 0.000 2.291 198 I HA 0.129 4.299 4.170 -0.001 0.000 0.292 198 I C 0.809 176.889 176.117 -0.061 0.000 1.064 198 I CA 0.317 61.596 61.300 -0.035 0.000 1.269 198 I CB 1.007 39.001 38.000 -0.009 0.000 1.418 198 I HN 0.041 nan 8.210 nan 0.000 0.485 199 T N 3.275 117.800 114.554 -0.048 0.000 3.087 199 T HA 0.001 4.350 4.350 -0.001 0.000 0.237 199 T C 0.445 175.119 174.700 -0.042 0.000 0.990 199 T CA 0.302 62.371 62.100 -0.052 0.000 1.160 199 T CB 0.089 68.927 68.868 -0.050 0.000 0.923 199 T HN 0.554 nan 8.240 nan 0.000 0.442 200 D N 1.070 121.452 120.400 -0.031 0.000 2.313 200 D HA 0.397 5.036 4.640 -0.001 0.000 0.239 200 D C 0.628 176.900 176.300 -0.048 0.000 1.142 200 D CA -0.269 53.705 54.000 -0.043 0.000 0.847 200 D CB 1.184 41.964 40.800 -0.034 0.000 1.082 200 D HN -0.066 nan 8.370 nan 0.000 0.480 201 V N 4.103 123.974 119.914 -0.071 0.000 2.950 201 V HA 0.187 4.306 4.120 -0.001 0.000 0.231 201 V C 1.013 177.018 176.094 -0.147 0.000 1.205 201 V CA -0.052 62.206 62.300 -0.070 0.000 1.239 201 V CB -0.169 31.622 31.823 -0.052 0.000 1.050 201 V HN 0.570 nan 8.190 nan 0.000 0.498 202 I N 2.359 122.818 120.570 -0.185 0.000 2.396 202 I HA 0.170 4.340 4.170 -0.001 0.000 0.289 202 I C -1.643 174.282 176.117 -0.320 0.000 1.056 202 I CA -1.448 59.657 61.300 -0.324 0.000 1.365 202 I CB 1.272 39.139 38.000 -0.223 0.000 1.407 202 I HN 0.122 nan 8.210 nan 0.000 0.509 203 P HA -0.111 nan 4.420 nan 0.000 0.212 203 P C 0.683 177.878 177.300 -0.175 0.000 1.180 203 P CA 1.571 64.487 63.100 -0.306 0.000 0.906 203 P CB 0.350 31.825 31.700 -0.376 0.000 0.782 204 S N -3.719 111.883 115.700 -0.164 0.000 7.068 204 S HA -0.022 4.447 4.470 -0.001 0.000 0.060 204 S C 1.328 175.884 174.600 -0.073 0.000 1.412 204 S CA -0.440 57.706 58.200 -0.091 0.000 1.149 204 S CB -0.856 62.310 63.200 -0.056 0.000 1.418 204 S HN 0.044 nan 8.310 nan 0.000 0.543 205 E N 2.146 122.315 120.200 -0.052 0.000 2.512 205 E HA 0.345 4.694 4.350 -0.001 0.000 0.195 205 E C 1.592 178.185 176.600 -0.011 0.000 1.083 205 E CA 0.517 56.906 56.400 -0.018 0.000 0.873 205 E CB -0.178 29.526 29.700 0.007 0.000 0.897 205 E HN 0.605 nan 8.360 nan 0.000 0.514 206 A N 0.374 123.160 122.820 -0.057 0.000 1.930 206 A HA 0.041 4.360 4.320 -0.001 0.000 0.215 206 A C 1.119 178.684 177.584 -0.031 0.000 1.176 206 A CA 0.418 52.448 52.037 -0.013 0.000 0.632 206 A CB 0.178 19.114 19.000 -0.106 0.000 0.819 206 A HN 0.180 nan 8.150 nan 0.000 0.445 207 I N 1.104 121.630 120.570 -0.074 0.000 2.353 207 I HA 0.277 4.447 4.170 -0.001 0.000 0.293 207 I C -0.256 175.844 176.117 -0.028 0.000 0.992 207 I CA -0.463 60.778 61.300 -0.098 0.000 1.268 207 I CB 1.295 39.219 38.000 -0.126 0.000 1.387 207 I HN 0.633 nan 8.210 nan 0.000 0.478 208 N N 2.805 121.492 118.700 -0.021 0.000 2.902 208 N HA 0.166 4.906 4.740 -0.001 0.000 0.268 208 N C 0.408 175.948 175.510 0.049 0.000 1.450 208 N CA -0.873 52.192 53.050 0.024 0.000 0.819 208 N CB 0.836 39.340 38.487 0.027 0.000 1.540 208 N HN 0.507 nan 8.380 nan 0.000 0.545 209 E N -0.889 119.349 120.200 0.063 0.000 2.233 209 E HA -0.185 4.164 4.350 -0.001 0.000 0.199 209 E C 0.561 177.210 176.600 0.083 0.000 1.004 209 E CA 1.426 57.873 56.400 0.078 0.000 0.819 209 E CB -0.154 29.580 29.700 0.057 0.000 0.738 209 E HN 0.586 nan 8.360 nan 0.000 0.478 210 L N 0.568 121.827 121.223 0.061 0.000 2.628 210 L HA 0.101 4.440 4.340 -0.001 0.000 0.229 210 L C 0.411 177.294 176.870 0.023 0.000 1.137 210 L CA 0.314 55.189 54.840 0.058 0.000 0.909 210 L CB 0.453 42.555 42.059 0.071 0.000 1.137 210 L HN -0.158 nan 8.230 nan 0.000 0.470 211 T N -0.354 114.180 114.554 -0.032 0.000 2.817 211 T HA 0.110 4.460 4.350 -0.001 0.000 0.295 211 T C 1.458 176.096 174.700 -0.103 0.000 0.958 211 T CA 0.006 61.984 62.100 -0.203 0.000 1.157 211 T CB 1.652 70.236 68.868 -0.473 0.000 0.898 211 T HN -0.122 nan 8.240 nan 0.000 0.536 212 V N 4.081 123.954 119.914 -0.068 0.000 2.278 212 V HA 0.249 4.368 4.120 -0.001 0.000 0.238 212 V C 0.851 177.068 176.094 0.204 0.000 1.039 212 V CA 0.857 63.226 62.300 0.115 0.000 1.017 212 V CB -0.117 31.748 31.823 0.070 0.000 0.657 212 V HN 0.623 nan 8.190 nan 0.000 0.462 213 L N -0.220 121.007 121.223 0.007 0.000 2.388 213 L HA 0.598 4.938 4.340 -0.001 0.000 0.264 213 L C -1.657 175.131 176.870 -0.136 0.000 0.998 213 L CA -0.475 54.356 54.840 -0.015 0.000 0.817 213 L CB 2.545 44.545 42.059 -0.099 0.000 1.338 213 L HN -0.014 nan 8.230 nan 0.000 0.414 214 V N 4.296 124.176 119.914 -0.057 0.000 2.443 214 V HA 0.381 4.500 4.120 -0.001 0.000 0.293 214 V C -0.404 175.703 176.094 0.022 0.000 1.021 214 V CA -0.506 61.751 62.300 -0.073 0.000 0.848 214 V CB 1.843 33.613 31.823 -0.088 0.000 0.998 214 V HN 0.458 nan 8.190 nan 0.000 0.424 215 L N 5.668 126.850 121.223 -0.068 0.000 2.312 215 L HA 0.657 4.996 4.340 -0.001 0.000 0.281 215 L C -0.115 176.736 176.870 -0.032 0.000 1.070 215 L CA -0.009 54.786 54.840 -0.075 0.000 0.805 215 L CB 1.654 43.603 42.059 -0.184 0.000 1.174 215 L HN 0.378 nan 8.230 nan 0.000 0.434 216 V N 3.241 123.181 119.914 0.042 0.000 2.876 216 V HA 0.529 4.648 4.120 -0.001 0.000 0.312 216 V C -0.665 175.477 176.094 0.079 0.000 1.085 216 V CA -0.717 61.642 62.300 0.098 0.000 0.945 216 V CB 2.306 34.287 31.823 0.264 0.000 1.017 216 V HN 0.894 nan 8.190 nan 0.000 0.428 217 N N 1.630 120.361 118.700 0.052 0.000 2.265 217 N HA 0.563 5.303 4.740 -0.001 0.000 0.300 217 N C -1.442 174.097 175.510 0.049 0.000 1.148 217 N CA -0.197 52.871 53.050 0.031 0.000 0.772 217 N CB 2.662 41.131 38.487 -0.031 0.000 1.434 217 N HN 0.602 nan 8.380 nan 0.000 0.481 218 T N 2.134 116.706 114.554 0.030 0.000 2.952 218 T HA 0.556 4.905 4.350 -0.001 0.000 0.305 218 T C -0.742 173.965 174.700 0.012 0.000 1.064 218 T CA -0.371 61.734 62.100 0.009 0.000 1.008 218 T CB 1.009 69.849 68.868 -0.048 0.000 1.078 218 T HN 0.378 nan 8.240 nan 0.000 0.459 219 I N 2.788 123.410 120.570 0.086 0.000 2.647 219 I HA 0.590 4.759 4.170 -0.001 0.000 0.295 219 I C -1.560 174.761 176.117 0.339 0.000 1.078 219 I CA -1.089 60.306 61.300 0.158 0.000 1.048 219 I CB 2.405 40.461 38.000 0.094 0.000 1.239 219 I HN 0.650 nan 8.210 nan 0.000 0.421 220 Y N 6.317 126.763 120.300 0.244 0.000 2.479 220 Y HA 0.635 5.184 4.550 -0.001 0.000 0.338 220 Y C -2.061 174.060 175.900 0.369 0.000 1.055 220 Y CA -1.009 57.261 58.100 0.283 0.000 1.023 220 Y CB 1.838 40.360 38.460 0.103 0.000 1.287 220 Y HN 0.446 nan 8.280 nan 0.000 0.447 221 F N 6.164 125.820 119.950 -0.490 0.000 2.578 221 F HA 0.736 5.262 4.527 -0.001 0.000 0.311 221 F C -1.829 173.535 175.800 -0.725 0.000 1.094 221 F CA -0.868 56.915 58.000 -0.361 0.000 0.923 221 F CB 1.829 40.816 39.000 -0.022 0.000 1.230 221 F HN 0.520 nan 8.300 nan 0.000 0.450 222 K N 3.546 123.121 120.400 -1.375 0.000 2.535 222 K HA 0.716 5.036 4.320 -0.001 0.000 0.251 222 K C -1.451 174.349 176.600 -1.334 0.000 0.942 222 K CA -0.754 54.787 56.287 -1.243 0.000 0.798 222 K CB 1.995 34.203 32.500 -0.487 0.000 1.267 222 K HN 1.029 nan 8.250 nan 0.000 0.434 223 G N 3.275 111.336 108.800 -1.231 0.000 2.718 223 G HA2 0.492 4.451 3.960 -0.001 0.000 0.295 223 G HA3 0.492 4.451 3.960 -0.001 0.000 0.295 223 G C -1.567 173.266 174.900 -0.112 0.000 1.421 223 G CA -0.735 44.015 45.100 -0.582 0.000 0.902 223 G HN 0.411 nan 8.290 nan 0.000 0.501 224 L N 0.246 121.525 121.223 0.093 0.000 2.334 224 L HA 0.489 4.829 4.340 -0.001 0.000 0.275 224 L C -0.260 176.725 176.870 0.191 0.000 1.036 224 L CA -0.844 54.045 54.840 0.081 0.000 0.807 224 L CB 1.721 43.830 42.059 0.083 0.000 1.231 224 L HN 0.597 nan 8.230 nan 0.000 0.438 225 W N 1.607 122.991 121.300 0.140 0.000 2.190 225 W HA 0.099 4.758 4.660 -0.001 0.000 0.330 225 W C 1.322 177.845 176.519 0.007 0.000 1.299 225 W CA -0.431 56.895 57.345 -0.031 0.000 1.215 225 W CB 0.636 30.033 29.460 -0.104 0.000 1.147 225 W HN 0.522 nan 8.180 nan 0.000 0.563 226 K N 1.178 121.748 120.400 0.283 0.000 2.097 226 K HA -0.096 4.223 4.320 -0.001 0.000 0.206 226 K C 0.187 176.849 176.600 0.104 0.000 1.049 226 K CA 1.270 57.660 56.287 0.172 0.000 0.933 226 K CB -0.069 32.525 32.500 0.157 0.000 0.717 226 K HN 0.265 nan 8.250 nan 0.000 0.442 227 S N 1.137 116.883 115.700 0.076 0.000 2.667 227 S HA 0.340 4.810 4.470 -0.001 0.000 0.304 227 S C -1.119 173.402 174.600 -0.132 0.000 1.135 227 S CA -0.966 57.202 58.200 -0.052 0.000 1.125 227 S CB 1.397 64.534 63.200 -0.105 0.000 0.996 227 S HN 0.107 nan 8.310 nan 0.000 0.474 228 K N 1.880 122.265 120.400 -0.024 0.000 2.350 228 K HA 0.290 4.610 4.320 -0.001 0.000 0.279 228 K C -0.735 175.803 176.600 -0.102 0.000 1.027 228 K CA -0.057 56.254 56.287 0.039 0.000 0.969 228 K CB 0.358 32.946 32.500 0.147 0.000 0.954 228 K HN 0.437 nan 8.250 nan 0.000 0.474 229 F N 1.062 120.998 119.950 -0.023 0.000 2.456 229 F HA 0.058 4.584 4.527 -0.001 0.000 0.358 229 F C 0.864 176.656 175.800 -0.012 0.000 1.095 229 F CA -0.140 57.811 58.000 -0.081 0.000 1.216 229 F CB 0.873 39.809 39.000 -0.106 0.000 1.125 229 F HN 0.346 nan 8.300 nan 0.000 0.549 230 S N 5.592 121.375 115.700 0.138 0.000 2.513 230 S HA 0.150 4.619 4.470 -0.001 0.000 0.276 230 S C -1.354 173.311 174.600 0.108 0.000 1.254 230 S CA -1.007 57.253 58.200 0.099 0.000 1.053 230 S CB 1.184 64.414 63.200 0.051 0.000 0.958 230 S HN 0.470 nan 8.310 nan 0.000 0.491 231 P HA -0.153 nan 4.420 nan 0.000 0.221 231 P C 1.150 178.489 177.300 0.065 0.000 1.150 231 P CA 0.843 63.989 63.100 0.076 0.000 0.800 231 P CB 0.095 31.836 31.700 0.068 0.000 0.787 232 E N 1.762 122.000 120.200 0.063 0.000 2.130 232 E HA -0.189 4.161 4.350 -0.001 0.000 0.196 232 E C 1.017 177.656 176.600 0.066 0.000 0.998 232 E CA 1.281 57.715 56.400 0.057 0.000 0.806 232 E CB -0.982 28.751 29.700 0.054 0.000 0.738 232 E HN 0.404 nan 8.360 nan 0.000 0.459 233 N N 0.755 119.508 118.700 0.089 0.000 2.467 233 N HA 0.061 4.800 4.740 -0.001 0.000 0.278 233 N C -0.834 174.740 175.510 0.107 0.000 1.306 233 N CA -0.242 52.873 53.050 0.109 0.000 0.905 233 N CB 0.955 39.550 38.487 0.180 0.000 1.236 233 N HN -0.140 nan 8.380 nan 0.000 0.509 234 T N 1.464 116.061 114.554 0.072 0.000 2.806 234 T HA 0.328 4.677 4.350 -0.001 0.000 0.290 234 T C 0.009 174.736 174.700 0.046 0.000 0.966 234 T CA -0.445 61.684 62.100 0.049 0.000 1.060 234 T CB 1.293 70.179 68.868 0.030 0.000 0.927 234 T HN 0.098 nan 8.240 nan 0.000 0.485 235 R N 3.009 123.537 120.500 0.047 0.000 2.387 235 R HA 0.382 4.721 4.340 -0.001 0.000 0.314 235 R C -0.122 176.207 176.300 0.048 0.000 0.958 235 R CA -0.745 55.384 56.100 0.048 0.000 0.846 235 R CB 1.650 31.983 30.300 0.055 0.000 1.147 235 R HN 0.566 nan 8.270 nan 0.000 0.447 236 K N 2.359 122.784 120.400 0.041 0.000 2.295 236 K HA 0.104 4.423 4.320 -0.001 0.000 0.270 236 K C 0.093 176.725 176.600 0.053 0.000 1.011 236 K CA 0.125 56.437 56.287 0.042 0.000 0.953 236 K CB 0.742 33.261 32.500 0.033 0.000 0.956 236 K HN 0.652 nan 8.250 nan 0.000 0.477 237 E N 1.610 121.850 120.200 0.066 0.000 2.380 237 E HA 0.200 4.549 4.350 -0.001 0.000 0.281 237 E C -1.155 175.507 176.600 0.102 0.000 0.999 237 E CA -0.979 55.470 56.400 0.080 0.000 0.800 237 E CB 0.573 30.327 29.700 0.090 0.000 1.228 237 E HN 0.064 nan 8.360 nan 0.000 0.436 238 L N 2.282 123.565 121.223 0.100 0.000 2.455 238 L HA 0.291 4.630 4.340 -0.001 0.000 0.272 238 L C -0.359 176.627 176.870 0.193 0.000 1.174 238 L CA 0.351 55.240 54.840 0.082 0.000 0.869 238 L CB -0.529 41.528 42.059 -0.004 0.000 1.130 238 L HN 0.651 nan 8.230 nan 0.000 0.474 239 F N 4.347 124.292 119.950 -0.008 0.000 2.411 239 F HA 0.361 4.888 4.527 -0.001 0.000 0.352 239 F C -0.608 175.203 175.800 0.018 0.000 1.123 239 F CA -0.655 57.375 58.000 0.049 0.000 1.044 239 F CB 0.814 39.821 39.000 0.012 0.000 1.135 239 F HN 0.245 nan 8.300 nan 0.000 0.461 240 Y N 5.860 126.056 120.300 -0.174 0.000 2.404 240 Y HA 0.269 4.818 4.550 -0.001 0.000 0.344 240 Y C 0.045 175.865 175.900 -0.132 0.000 0.970 240 Y CA -0.761 57.294 58.100 -0.074 0.000 1.180 240 Y CB 0.804 39.208 38.460 -0.093 0.000 1.138 240 Y HN 0.484 nan 8.280 nan 0.000 0.510 241 K N 0.868 121.370 120.400 0.170 0.000 2.218 241 K HA 0.622 4.942 4.320 -0.001 0.000 0.276 241 K C 0.800 177.468 176.600 0.113 0.000 1.022 241 K CA -0.176 56.230 56.287 0.198 0.000 0.946 241 K CB 1.340 34.003 32.500 0.272 0.000 1.000 241 K HN 0.615 nan 8.250 nan 0.000 0.468 242 A N 2.573 125.443 122.820 0.083 0.000 2.194 242 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 242 A C 0.328 177.946 177.584 0.056 0.000 1.162 242 A CA 1.274 53.344 52.037 0.055 0.000 0.674 242 A CB -0.597 18.430 19.000 0.044 0.000 0.789 242 A HN 0.838 nan 8.150 nan 0.000 0.470 243 D N 0.339 120.779 120.400 0.067 0.000 3.038 243 D HA 0.285 4.924 4.640 -0.001 0.000 0.243 243 D C 1.145 177.477 176.300 0.054 0.000 1.245 243 D CA 0.684 54.715 54.000 0.052 0.000 0.871 243 D CB -0.647 40.182 40.800 0.049 0.000 1.089 243 D HN 0.438 nan 8.370 nan 0.000 0.464 244 G N 1.675 110.512 108.800 0.062 0.000 2.467 244 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.302 244 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.302 244 G C 0.120 175.071 174.900 0.084 0.000 0.930 244 G CA 0.703 45.849 45.100 0.077 0.000 1.008 244 G HN 0.444 nan 8.290 nan 0.000 0.512 245 E N -1.171 119.072 120.200 0.071 0.000 2.429 245 E HA 0.507 4.856 4.350 -0.001 0.000 0.276 245 E C -0.751 175.770 176.600 -0.132 0.000 0.953 245 E CA -0.791 55.607 56.400 -0.004 0.000 0.787 245 E CB 1.568 31.264 29.700 -0.006 0.000 1.307 245 E HN 0.164 nan 8.360 nan 0.000 0.458 246 S N 0.986 116.497 115.700 -0.314 0.000 2.423 246 S HA 0.346 4.816 4.470 -0.001 0.000 0.317 246 S C 0.061 174.517 174.600 -0.240 0.000 1.065 246 S CA -0.913 56.931 58.200 -0.595 0.000 1.111 246 S CB -0.565 62.118 63.200 -0.861 0.000 0.968 246 S HN 0.566 nan 8.310 nan 0.000 0.474 247 c N 1.427 119.974 118.600 -0.089 0.000 2.391 247 c HA 0.811 5.380 4.570 -0.001 0.000 0.339 247 c C 0.463 174.548 174.090 -0.009 0.000 1.205 247 c CA -0.901 55.409 56.329 -0.033 0.000 1.937 247 c CB 0.465 42.973 42.510 -0.003 0.000 2.341 247 c HN 0.633 nan 8.230 nan 0.000 0.516 248 S N 1.597 117.287 115.700 -0.018 0.000 2.513 248 S HA 0.658 5.127 4.470 -0.001 0.000 0.276 248 S C 0.350 174.951 174.600 0.002 0.000 1.254 248 S CA -0.154 58.048 58.200 0.004 0.000 1.053 248 S CB 0.904 64.102 63.200 -0.002 0.000 0.958 248 S HN 1.262 nan 8.310 nan 0.000 0.491 249 A N 2.740 125.579 122.820 0.032 0.000 2.288 249 A HA 0.849 5.169 4.320 -0.001 0.000 0.328 249 A C -0.321 177.284 177.584 0.034 0.000 1.123 249 A CA -0.758 51.288 52.037 0.014 0.000 0.861 249 A CB 1.045 20.079 19.000 0.056 0.000 1.272 249 A HN 0.641 nan 8.150 nan 0.000 0.490 250 S N 0.337 116.056 115.700 0.032 0.000 2.756 250 S HA 0.462 4.931 4.470 -0.001 0.000 0.303 250 S C -0.639 173.980 174.600 0.032 0.000 1.135 250 S CA -0.314 57.907 58.200 0.034 0.000 1.066 250 S CB 0.899 64.114 63.200 0.025 0.000 1.008 250 S HN 0.657 nan 8.310 nan 0.000 0.482 251 M N 3.866 123.491 119.600 0.042 0.000 2.314 251 M HA 0.553 5.032 4.480 -0.001 0.000 0.342 251 M C -0.770 175.517 176.300 -0.022 0.000 1.171 251 M CA 0.021 55.341 55.300 0.033 0.000 1.098 251 M CB 0.609 33.272 32.600 0.105 0.000 1.559 251 M HN 0.588 nan 8.290 nan 0.000 0.459 252 M N 3.496 123.020 119.600 -0.127 0.000 2.508 252 M HA 0.412 4.891 4.480 -0.001 0.000 0.327 252 M C -1.500 174.715 176.300 -0.142 0.000 1.160 252 M CA -0.774 54.411 55.300 -0.192 0.000 0.980 252 M CB 1.828 34.083 32.600 -0.576 0.000 1.693 252 M HN 0.642 nan 8.290 nan 0.000 0.452 253 Y N 2.405 122.610 120.300 -0.159 0.000 2.442 253 Y HA 0.616 5.166 4.550 -0.001 0.000 0.344 253 Y C -1.285 174.616 175.900 0.003 0.000 0.976 253 Y CA -0.571 57.360 58.100 -0.281 0.000 1.040 253 Y CB 1.551 39.785 38.460 -0.377 0.000 1.228 253 Y HN 0.782 nan 8.280 nan 0.000 0.451 254 Q N 2.942 122.278 119.800 -0.774 0.000 2.630 254 Q HA 0.533 4.873 4.340 -0.001 0.000 0.295 254 Q C -2.074 173.572 176.000 -0.591 0.000 0.944 254 Q CA -1.208 54.148 55.803 -0.746 0.000 0.766 254 Q CB 2.624 31.140 28.738 -0.369 0.000 1.471 254 Q HN 0.738 nan 8.270 nan 0.000 0.416 255 E N -0.355 119.623 120.200 -0.371 0.000 2.292 255 E HA 0.716 5.065 4.350 -0.001 0.000 0.272 255 E C -1.275 175.218 176.600 -0.177 0.000 0.881 255 E CA -0.686 55.616 56.400 -0.163 0.000 0.754 255 E CB 1.952 31.585 29.700 -0.111 0.000 1.201 255 E HN 0.899 nan 8.360 nan 0.000 0.425 256 G N 2.707 111.377 108.800 -0.216 0.000 2.441 256 G HA2 0.190 4.149 3.960 -0.001 0.000 0.294 256 G HA3 0.190 4.149 3.960 -0.001 0.000 0.294 256 G C -1.512 172.999 174.900 -0.648 0.000 1.393 256 G CA -0.874 43.917 45.100 -0.515 0.000 0.796 256 G HN 0.350 nan 8.290 nan 0.000 0.494 257 K N -0.112 119.887 120.400 -0.668 0.000 2.234 257 K HA 0.626 4.945 4.320 -0.001 0.000 0.282 257 K C -1.402 174.835 176.600 -0.605 0.000 1.039 257 K CA -0.062 55.960 56.287 -0.442 0.000 0.928 257 K CB 0.902 33.253 32.500 -0.248 0.000 1.039 257 K HN 0.256 nan 8.250 nan 0.000 0.470 258 F N 0.595 120.524 119.950 -0.036 0.000 2.631 258 F HA 0.345 4.871 4.527 -0.001 0.000 0.308 258 F C 0.091 175.912 175.800 0.035 0.000 1.097 258 F CA -1.003 56.986 58.000 -0.018 0.000 0.952 258 F CB 1.383 40.360 39.000 -0.037 0.000 1.307 258 F HN 0.219 nan 8.300 nan 0.000 0.450 259 R N 1.784 122.437 120.500 0.254 0.000 2.291 259 R HA 0.235 4.575 4.340 -0.001 0.000 0.333 259 R C -1.334 175.079 176.300 0.187 0.000 1.082 259 R CA -0.021 56.180 56.100 0.169 0.000 0.948 259 R CB 0.154 30.526 30.300 0.120 0.000 1.009 259 R HN 0.600 nan 8.270 nan 0.000 0.460 260 Y N 2.013 122.341 120.300 0.046 0.000 2.598 260 Y HA 0.609 5.159 4.550 -0.001 0.000 0.340 260 Y C -0.765 175.130 175.900 -0.009 0.000 1.038 260 Y CA -1.281 56.826 58.100 0.011 0.000 1.100 260 Y CB 1.655 40.127 38.460 0.019 0.000 1.281 260 Y HN 0.384 nan 8.280 nan 0.000 0.488 261 R N 3.005 123.049 120.500 -0.761 0.000 2.647 261 R HA 0.286 4.626 4.340 -0.001 0.000 0.260 261 R C -2.200 173.629 176.300 -0.785 0.000 1.154 261 R CA -0.694 55.106 56.100 -0.500 0.000 1.029 261 R CB 0.926 31.082 30.300 -0.239 0.000 1.262 261 R HN 0.821 nan 8.270 nan 0.000 0.437 262 R N 4.670 124.913 120.500 -0.429 0.000 2.230 262 R HA 0.384 4.723 4.340 -0.001 0.000 0.337 262 R C 0.158 176.339 176.300 -0.198 0.000 1.063 262 R CA -0.459 55.471 56.100 -0.283 0.000 0.935 262 R CB 0.293 30.604 30.300 0.018 0.000 1.121 262 R HN 0.532 nan 8.270 nan 0.000 0.486 263 V N 1.576 121.325 119.914 -0.275 0.000 3.653 263 V HA 0.550 4.669 4.120 -0.001 0.000 0.282 263 V C 0.725 176.752 176.094 -0.113 0.000 0.993 263 V CA -0.781 61.407 62.300 -0.186 0.000 0.986 263 V CB 0.417 32.071 31.823 -0.282 0.000 1.249 263 V HN 0.788 nan 8.190 nan 0.000 0.423 264 A N 0.087 122.888 122.820 -0.030 0.000 2.603 264 A HA 0.177 4.496 4.320 -0.001 0.000 0.235 264 A C 1.067 178.644 177.584 -0.011 0.000 1.035 264 A CA 1.026 53.068 52.037 0.007 0.000 0.755 264 A CB -0.768 18.270 19.000 0.064 0.000 0.954 264 A HN 1.394 nan 8.150 nan 0.000 0.511 265 E N 0.320 120.516 120.200 -0.006 0.000 2.971 265 E HA -0.243 4.106 4.350 -0.001 0.000 0.278 265 E C 0.896 177.478 176.600 -0.031 0.000 1.009 265 E CA 2.118 58.512 56.400 -0.010 0.000 0.862 265 E CB -1.609 28.095 29.700 0.006 0.000 1.436 265 E HN 2.501 nan 8.360 nan 0.000 0.434 266 G N 0.104 108.877 108.800 -0.045 0.000 2.198 266 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.260 266 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.260 266 G C 0.310 175.157 174.900 -0.088 0.000 1.025 266 G CA 1.189 46.258 45.100 -0.051 0.000 0.769 266 G HN 0.860 nan 8.290 nan 0.000 0.507 267 T N -1.205 113.259 114.554 -0.150 0.000 2.780 267 T HA 0.611 4.960 4.350 -0.001 0.000 0.294 267 T C 0.250 174.761 174.700 -0.315 0.000 0.949 267 T CA -0.481 61.489 62.100 -0.218 0.000 1.074 267 T CB 1.769 70.475 68.868 -0.271 0.000 0.910 267 T HN 0.470 nan 8.240 nan 0.000 0.501 268 Q N 1.721 121.371 119.800 -0.250 0.000 2.293 268 Q HA 0.596 4.935 4.340 -0.001 0.000 0.251 268 Q C -0.798 174.953 176.000 -0.415 0.000 0.930 268 Q CA -0.885 54.730 55.803 -0.313 0.000 0.893 268 Q CB 1.599 30.312 28.738 -0.040 0.000 1.215 268 Q HN 0.527 nan 8.270 nan 0.000 0.425 269 V N 3.162 122.738 119.914 -0.563 0.000 2.686 269 V HA 0.470 4.590 4.120 -0.001 0.000 0.306 269 V C -1.281 174.616 176.094 -0.327 0.000 1.065 269 V CA -0.772 61.268 62.300 -0.434 0.000 0.894 269 V CB 1.953 33.471 31.823 -0.509 0.000 1.004 269 V HN 0.554 nan 8.190 nan 0.000 0.424 270 L N 3.846 124.987 121.223 -0.137 0.000 2.431 270 L HA 0.666 5.005 4.340 -0.001 0.000 0.266 270 L C -0.680 176.185 176.870 -0.009 0.000 0.978 270 L CA -0.086 54.737 54.840 -0.028 0.000 0.822 270 L CB 2.114 44.177 42.059 0.007 0.000 1.310 270 L HN 0.803 nan 8.230 nan 0.000 0.409 271 E N 4.749 124.963 120.200 0.023 0.000 2.207 271 E HA 0.377 4.726 4.350 -0.001 0.000 0.250 271 E C -1.596 175.035 176.600 0.053 0.000 0.890 271 E CA -0.658 55.778 56.400 0.060 0.000 0.749 271 E CB 0.927 30.677 29.700 0.083 0.000 1.193 271 E HN 0.666 nan 8.360 nan 0.000 0.423 272 L N 7.226 128.448 121.223 -0.002 0.000 2.315 272 L HA 0.312 4.651 4.340 -0.001 0.000 0.283 272 L C -2.020 174.918 176.870 0.114 0.000 1.089 272 L CA -1.449 53.350 54.840 -0.069 0.000 0.833 272 L CB 0.678 42.556 42.059 -0.302 0.000 1.170 272 L HN 0.432 nan 8.230 nan 0.000 0.442 273 P HA 0.205 nan 4.420 nan 0.000 0.282 273 P C -0.789 176.604 177.300 0.155 0.000 1.249 273 P CA -0.333 62.883 63.100 0.193 0.000 0.806 273 P CB 0.878 32.697 31.700 0.197 0.000 0.984 274 F N 1.043 121.168 119.950 0.292 0.000 2.380 274 F HA 0.338 4.865 4.527 -0.001 0.000 0.321 274 F C 2.290 178.201 175.800 0.184 0.000 1.103 274 F CA -0.366 57.776 58.000 0.236 0.000 1.067 274 F CB 0.522 39.646 39.000 0.207 0.000 1.265 274 F HN 0.286 nan 8.300 nan 0.000 0.517 275 K N 0.956 121.568 120.400 0.353 0.000 2.107 275 K HA -0.204 4.115 4.320 -0.001 0.000 0.211 275 K C 1.936 178.647 176.600 0.185 0.000 1.049 275 K CA 1.705 58.125 56.287 0.222 0.000 0.927 275 K CB -0.614 31.994 32.500 0.178 0.000 0.714 275 K HN 0.915 nan 8.250 nan 0.000 0.452 276 G N 0.624 109.543 108.800 0.198 0.000 2.679 276 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.212 276 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.212 276 G C -0.241 174.745 174.900 0.144 0.000 1.137 276 G CA 0.661 45.851 45.100 0.150 0.000 0.787 276 G HN 0.418 nan 8.290 nan 0.000 0.534 277 D N 0.239 120.745 120.400 0.177 0.000 2.911 277 D HA -0.167 4.472 4.640 -0.001 0.000 0.227 277 D C 0.562 176.946 176.300 0.140 0.000 1.164 277 D CA 1.556 55.650 54.000 0.157 0.000 0.782 277 D CB -1.379 39.490 40.800 0.114 0.000 1.094 277 D HN 0.648 nan 8.370 nan 0.000 0.425 278 D N -0.676 119.814 120.400 0.150 0.000 2.457 278 D HA 0.198 4.838 4.640 -0.001 0.000 0.254 278 D C 0.865 177.231 176.300 0.110 0.000 1.097 278 D CA -0.018 54.048 54.000 0.111 0.000 0.870 278 D CB 0.296 41.146 40.800 0.082 0.000 1.253 278 D HN 0.308 nan 8.370 nan 0.000 0.500 279 I N 0.420 121.082 120.570 0.153 0.000 2.441 279 I HA 0.486 4.656 4.170 -0.001 0.000 0.295 279 I C -0.468 175.884 176.117 0.392 0.000 0.994 279 I CA -0.387 60.981 61.300 0.113 0.000 1.144 279 I CB 2.309 40.239 38.000 -0.117 0.000 1.314 279 I HN -0.189 nan 8.210 nan 0.000 0.445 280 T N 6.187 120.967 114.554 0.377 0.000 2.900 280 T HA 0.495 4.844 4.350 -0.001 0.000 0.303 280 T C -1.035 173.962 174.700 0.496 0.000 1.142 280 T CA -0.601 61.770 62.100 0.452 0.000 1.007 280 T CB 1.933 70.960 68.868 0.264 0.000 1.156 280 T HN 0.476 nan 8.240 nan 0.000 0.490 281 M N 3.500 123.386 119.600 0.476 0.000 2.227 281 M HA 0.647 5.126 4.480 -0.001 0.000 0.335 281 M C -1.566 174.925 176.300 0.319 0.000 1.053 281 M CA -0.633 54.952 55.300 0.476 0.000 0.973 281 M CB 0.943 33.896 32.600 0.589 0.000 1.623 281 M HN 0.317 nan 8.290 nan 0.000 0.434 282 V N 6.368 126.464 119.914 0.303 0.000 2.459 282 V HA 0.500 4.619 4.120 -0.001 0.000 0.295 282 V C -0.328 175.900 176.094 0.225 0.000 1.029 282 V CA -0.700 61.706 62.300 0.176 0.000 0.874 282 V CB 1.665 33.523 31.823 0.058 0.000 0.985 282 V HN 0.796 nan 8.190 nan 0.000 0.438 283 L N 5.309 126.628 121.223 0.161 0.000 2.331 283 L HA 0.647 4.986 4.340 -0.001 0.000 0.275 283 L C -0.892 176.033 176.870 0.092 0.000 1.022 283 L CA -0.723 54.260 54.840 0.237 0.000 0.812 283 L CB 1.887 44.053 42.059 0.179 0.000 1.257 283 L HN 0.355 nan 8.230 nan 0.000 0.435 284 I N 3.876 124.536 120.570 0.150 0.000 2.447 284 I HA 0.423 4.592 4.170 -0.001 0.000 0.287 284 I C -0.649 175.505 176.117 0.061 0.000 1.023 284 I CA -0.464 60.826 61.300 -0.018 0.000 1.083 284 I CB 1.727 39.722 38.000 -0.008 0.000 1.245 284 I HN 0.360 nan 8.210 nan 0.000 0.434 285 L N 8.654 129.852 121.223 -0.042 0.000 2.356 285 L HA 0.585 4.925 4.340 -0.001 0.000 0.277 285 L C -2.140 174.698 176.870 -0.054 0.000 0.996 285 L CA -1.395 53.441 54.840 -0.006 0.000 0.822 285 L CB 1.754 43.786 42.059 -0.046 0.000 1.256 285 L HN 0.338 nan 8.230 nan 0.000 0.413 286 P HA 0.019 nan 4.420 nan 0.000 0.272 286 P C -0.885 176.397 177.300 -0.030 0.000 1.230 286 P CA -0.595 62.491 63.100 -0.024 0.000 0.788 286 P CB 0.837 32.546 31.700 0.015 0.000 0.949 287 K N 2.827 123.206 120.400 -0.035 0.000 2.378 287 K HA 0.189 4.508 4.320 -0.001 0.000 0.288 287 K C -1.633 174.955 176.600 -0.019 0.000 1.057 287 K CA -1.234 55.037 56.287 -0.028 0.000 0.971 287 K CB -0.755 31.728 32.500 -0.027 0.000 0.975 287 K HN 0.326 nan 8.250 nan 0.000 0.475 293 A N 0.954 123.810 122.820 0.060 0.000 1.972 293 A HA -0.018 4.302 4.320 -0.001 0.000 0.219 293 A C 2.258 179.886 177.584 0.073 0.000 1.169 293 A CA 3.062 55.139 52.037 0.066 0.000 0.635 293 A CB -0.967 18.054 19.000 0.036 0.000 0.810 293 A HN 0.544 nan 8.150 nan 0.000 0.446 294 K N -0.203 120.233 120.400 0.060 0.000 2.049 294 K HA -0.262 4.057 4.320 -0.001 0.000 0.219 294 K C 2.176 178.831 176.600 0.091 0.000 1.056 294 K CA 2.880 59.204 56.287 0.062 0.000 0.946 294 K CB -2.239 30.294 32.500 0.055 0.000 0.723 294 K HN 1.166 nan 8.250 nan 0.000 0.453 295 V N -0.797 119.194 119.914 0.129 0.000 2.490 295 V HA -0.222 3.897 4.120 -0.001 0.000 0.250 295 V C 2.200 178.395 176.094 0.168 0.000 1.061 295 V CA 2.304 64.724 62.300 0.199 0.000 1.064 295 V CB -0.813 31.182 31.823 0.287 0.000 0.670 295 V HN 0.683 nan 8.190 nan 0.000 0.461 296 E N 0.712 121.003 120.200 0.151 0.000 2.051 296 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 296 E C 2.132 178.797 176.600 0.109 0.000 0.991 296 E CA 1.389 57.887 56.400 0.163 0.000 0.799 296 E CB -0.223 29.635 29.700 0.262 0.000 0.748 296 E HN 0.474 nan 8.360 nan 0.000 0.449 297 K N 0.698 121.140 120.400 0.070 0.000 2.362 297 K HA -0.051 4.269 4.320 -0.001 0.000 0.200 297 K C 1.409 178.012 176.600 0.005 0.000 1.046 297 K CA 0.702 57.000 56.287 0.019 0.000 0.952 297 K CB 0.155 32.656 32.500 0.003 0.000 0.753 297 K HN 0.089 nan 8.250 nan 0.000 0.466 298 E N 0.360 120.573 120.200 0.022 0.000 2.481 298 E HA 0.038 4.387 4.350 -0.001 0.000 0.198 298 E C -0.295 176.274 176.600 -0.052 0.000 1.027 298 E CA -0.273 56.124 56.400 -0.005 0.000 0.900 298 E CB 0.150 29.866 29.700 0.026 0.000 0.993 298 E HN 0.021 nan 8.360 nan 0.000 0.482 299 L N 2.475 123.675 121.223 -0.037 0.000 2.385 299 L HA 0.117 4.456 4.340 -0.001 0.000 0.281 299 L C 0.193 177.001 176.870 -0.104 0.000 1.106 299 L CA 0.341 55.126 54.840 -0.092 0.000 0.856 299 L CB 0.273 42.322 42.059 -0.016 0.000 1.186 299 L HN -0.076 nan 8.230 nan 0.000 0.453 300 T N 1.962 116.418 114.554 -0.163 0.000 2.940 300 T HA 0.571 4.920 4.350 -0.001 0.000 0.288 300 T C -2.060 172.551 174.700 -0.148 0.000 1.045 300 T CA -1.862 60.160 62.100 -0.131 0.000 1.018 300 T CB 1.525 70.318 68.868 -0.125 0.000 1.151 300 T HN 0.289 nan 8.240 nan 0.000 0.529 301 P HA -0.023 nan 4.420 nan 0.000 0.219 301 P C 1.116 178.337 177.300 -0.132 0.000 1.146 301 P CA 0.889 63.924 63.100 -0.108 0.000 0.808 301 P CB 0.132 31.771 31.700 -0.101 0.000 0.779 302 E N -0.658 119.460 120.200 -0.137 0.000 2.017 302 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 302 E C 2.093 178.561 176.600 -0.221 0.000 0.997 302 E CA 0.904 57.224 56.400 -0.134 0.000 0.804 302 E CB -1.490 28.145 29.700 -0.108 0.000 0.757 302 E HN -0.087 nan 8.360 nan 0.000 0.448 303 V N 1.258 120.976 119.914 -0.327 0.000 2.231 303 V HA -0.318 3.802 4.120 -0.001 0.000 0.250 303 V C 2.413 178.016 176.094 -0.818 0.000 1.058 303 V CA 2.081 64.013 62.300 -0.613 0.000 1.022 303 V CB -0.625 30.789 31.823 -0.681 0.000 0.640 303 V HN 0.324 nan 8.190 nan 0.000 0.445 304 L N -0.571 120.268 121.223 -0.640 0.000 2.043 304 L HA -0.324 4.015 4.340 -0.001 0.000 0.212 304 L C 2.662 179.418 176.870 -0.189 0.000 1.075 304 L CA 2.406 56.997 54.840 -0.414 0.000 0.752 304 L CB -0.338 41.599 42.059 -0.205 0.000 0.891 304 L HN 0.533 nan 8.230 nan 0.000 0.432 305 Q N -0.468 119.239 119.800 -0.155 0.000 2.046 305 Q HA -0.293 4.046 4.340 -0.001 0.000 0.200 305 Q C 2.035 178.014 176.000 -0.035 0.000 0.975 305 Q CA 1.902 57.674 55.803 -0.053 0.000 0.836 305 Q CB 0.020 28.742 28.738 -0.027 0.000 0.896 305 Q HN 0.376 nan 8.270 nan 0.000 0.428 306 E N -0.084 120.060 120.200 -0.093 0.000 2.077 306 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 306 E C 1.479 178.130 176.600 0.086 0.000 0.989 306 E CA 1.620 58.003 56.400 -0.029 0.000 0.800 306 E CB -0.315 29.339 29.700 -0.077 0.000 0.746 306 E HN 0.455 nan 8.360 nan 0.000 0.452 307 W N 0.211 121.478 121.300 -0.055 0.000 2.332 307 W HA -0.145 4.515 4.660 -0.001 0.000 0.321 307 W C 2.230 178.706 176.519 -0.072 0.000 1.219 307 W CA 0.715 58.013 57.345 -0.078 0.000 1.277 307 W CB -1.465 27.926 29.460 -0.114 0.000 1.161 307 W HN 0.189 nan 8.180 nan 0.000 0.476 308 L N 0.546 121.883 121.223 0.190 0.000 2.187 308 L HA -0.212 4.127 4.340 -0.001 0.000 0.213 308 L C 1.960 178.875 176.870 0.074 0.000 1.100 308 L CA 1.743 56.642 54.840 0.098 0.000 0.765 308 L CB -0.793 41.307 42.059 0.068 0.000 0.904 308 L HN -0.133 nan 8.230 nan 0.000 0.437 309 D N -0.287 120.157 120.400 0.072 0.000 2.123 309 D HA -0.167 4.472 4.640 -0.001 0.000 0.200 309 D C 1.402 177.734 176.300 0.052 0.000 0.976 309 D CA 1.291 55.325 54.000 0.056 0.000 0.831 309 D CB -0.049 40.778 40.800 0.046 0.000 0.974 309 D HN 0.605 nan 8.370 nan 0.000 0.469 310 E N 0.596 120.833 120.200 0.061 0.000 2.311 310 E HA 0.121 4.470 4.350 -0.001 0.000 0.198 310 E C -0.147 176.468 176.600 0.026 0.000 1.115 310 E CA -0.376 56.050 56.400 0.043 0.000 1.140 310 E CB -0.032 29.697 29.700 0.048 0.000 1.204 310 E HN 0.002 nan 8.360 nan 0.000 0.446 311 L N 1.412 122.652 121.223 0.028 0.000 2.418 311 L HA 0.336 4.675 4.340 -0.001 0.000 0.265 311 L C 0.033 176.926 176.870 0.038 0.000 1.143 311 L CA -0.027 54.824 54.840 0.018 0.000 0.809 311 L CB 1.238 43.313 42.059 0.027 0.000 1.124 311 L HN 0.148 nan 8.230 nan 0.000 0.456 312 E N 0.522 120.755 120.200 0.055 0.000 2.256 312 E HA 0.295 4.644 4.350 -0.001 0.000 0.267 312 E C -1.194 175.455 176.600 0.082 0.000 0.892 312 E CA -0.607 55.831 56.400 0.063 0.000 0.775 312 E CB 1.449 31.190 29.700 0.068 0.000 1.207 312 E HN 0.450 nan 8.360 nan 0.000 0.420 313 E N 3.815 124.051 120.200 0.060 0.000 2.129 313 E HA 0.256 4.605 4.350 -0.001 0.000 0.283 313 E C -0.718 175.908 176.600 0.042 0.000 1.080 313 E CA 0.106 56.537 56.400 0.053 0.000 0.867 313 E CB 0.434 30.147 29.700 0.022 0.000 1.056 313 E HN 0.434 nan 8.360 nan 0.000 0.404 314 M N 3.306 122.941 119.600 0.058 0.000 2.745 314 M HA 0.410 4.889 4.480 -0.001 0.000 0.290 314 M C -0.626 175.668 176.300 -0.010 0.000 1.262 314 M CA -1.149 54.168 55.300 0.028 0.000 0.795 314 M CB 2.169 34.802 32.600 0.055 0.000 1.758 314 M HN 0.482 nan 8.290 nan 0.000 0.461 315 M N 1.753 121.329 119.600 -0.040 0.000 2.336 315 M HA 0.693 5.173 4.480 -0.001 0.000 0.342 315 M C -1.968 174.301 176.300 -0.050 0.000 1.128 315 M CA -0.493 54.767 55.300 -0.065 0.000 1.016 315 M CB 1.068 33.624 32.600 -0.073 0.000 1.665 315 M HN 0.546 nan 8.290 nan 0.000 0.445 316 L N 3.512 124.732 121.223 -0.005 0.000 2.403 316 L HA 0.696 5.035 4.340 -0.001 0.000 0.253 316 L C -1.220 175.689 176.870 0.066 0.000 1.045 316 L CA -0.838 54.004 54.840 0.004 0.000 0.845 316 L CB 2.090 44.150 42.059 0.002 0.000 1.447 316 L HN 0.358 nan 8.230 nan 0.000 0.411 317 V N 1.535 121.496 119.914 0.078 0.000 2.398 317 V HA 0.592 4.711 4.120 -0.001 0.000 0.286 317 V C -0.613 175.585 176.094 0.174 0.000 1.026 317 V CA -0.565 61.836 62.300 0.168 0.000 0.868 317 V CB 1.946 33.944 31.823 0.291 0.000 0.982 317 V HN 0.442 nan 8.190 nan 0.000 0.443 318 V N 5.124 125.110 119.914 0.119 0.000 2.581 318 V HA 0.545 4.664 4.120 -0.001 0.000 0.303 318 V C -0.875 175.300 176.094 0.135 0.000 1.041 318 V CA -0.754 61.598 62.300 0.087 0.000 0.907 318 V CB 1.779 33.556 31.823 -0.076 0.000 0.994 318 V HN 0.911 nan 8.190 nan 0.000 0.442 319 H N 3.971 123.061 119.070 0.033 0.000 2.823 319 H HA 0.719 5.275 4.556 -0.001 0.000 0.332 319 H C -0.492 174.786 175.328 -0.085 0.000 0.980 319 H CA -0.262 55.800 56.048 0.023 0.000 1.286 319 H CB 1.582 31.362 29.762 0.030 0.000 1.541 319 H HN 0.652 nan 8.280 nan 0.000 0.521 320 M N 4.897 124.452 119.600 -0.073 0.000 2.433 320 M HA 0.446 4.926 4.480 -0.001 0.000 0.290 320 M C -3.147 173.093 176.300 -0.100 0.000 1.173 320 M CA -1.930 53.289 55.300 -0.136 0.000 0.905 320 M CB 2.821 35.310 32.600 -0.185 0.000 1.692 320 M HN 0.328 nan 8.290 nan 0.000 0.462 321 P HA 0.182 nan 4.420 nan 0.000 0.278 321 P C -1.543 175.906 177.300 0.247 0.000 1.238 321 P CA -0.235 62.931 63.100 0.109 0.000 0.794 321 P CB 0.695 32.444 31.700 0.081 0.000 0.955 322 R N 3.753 124.323 120.500 0.117 0.000 2.267 322 R HA 0.444 4.783 4.340 -0.001 0.000 0.319 322 R C -0.744 175.668 176.300 0.187 0.000 1.067 322 R CA -0.165 55.979 56.100 0.074 0.000 0.936 322 R CB -0.254 30.045 30.300 -0.002 0.000 1.006 322 R HN 0.532 nan 8.270 nan 0.000 0.452 323 F N 0.857 120.769 119.950 -0.064 0.000 2.741 323 F HA 0.553 5.079 4.527 -0.001 0.000 0.313 323 F C -1.692 174.016 175.800 -0.153 0.000 1.153 323 F CA -1.395 56.544 58.000 -0.101 0.000 0.931 323 F CB 1.181 40.117 39.000 -0.107 0.000 1.335 323 F HN 0.440 nan 8.300 nan 0.000 0.460 324 R N 2.234 122.691 120.500 -0.073 0.000 2.673 324 R HA 0.804 5.144 4.340 -0.001 0.000 0.281 324 R C -2.293 173.908 176.300 -0.165 0.000 0.991 324 R CA -0.760 55.150 56.100 -0.316 0.000 0.896 324 R CB 2.368 32.523 30.300 -0.242 0.000 1.201 324 R HN 1.017 nan 8.270 nan 0.000 0.457 325 I N 2.444 122.818 120.570 -0.328 0.000 2.686 325 I HA 0.416 4.586 4.170 -0.001 0.000 0.295 325 I C -1.399 174.587 176.117 -0.218 0.000 1.114 325 I CA -0.596 60.601 61.300 -0.171 0.000 1.038 325 I CB 2.359 40.293 38.000 -0.110 0.000 1.238 325 I HN 0.774 nan 8.210 nan 0.000 0.420 326 E N 4.825 125.026 120.200 0.002 0.000 2.292 326 E HA 0.424 4.773 4.350 -0.001 0.000 0.272 326 E C -1.904 174.828 176.600 0.220 0.000 0.881 326 E CA -0.745 55.748 56.400 0.156 0.000 0.754 326 E CB 2.858 32.684 29.700 0.209 0.000 1.201 326 E HN 0.500 nan 8.360 nan 0.000 0.425 327 D N 0.775 121.367 120.400 0.320 0.000 2.837 327 D HA 0.587 5.227 4.640 -0.001 0.000 0.220 327 D C -1.351 175.172 176.300 0.372 0.000 1.236 327 D CA -0.363 53.851 54.000 0.358 0.000 0.838 327 D CB 1.915 42.977 40.800 0.437 0.000 1.647 327 D HN 0.522 nan 8.370 nan 0.000 0.486 328 G N 1.011 110.029 108.800 0.362 0.000 2.706 328 G HA2 0.718 4.677 3.960 -0.001 0.000 0.297 328 G HA3 0.718 4.677 3.960 -0.001 0.000 0.297 328 G C -1.511 173.605 174.900 0.360 0.000 1.403 328 G CA -0.860 44.370 45.100 0.217 0.000 0.954 328 G HN 0.565 nan 8.290 nan 0.000 0.500 329 F N -0.766 119.349 119.950 0.275 0.000 2.744 329 F HA 0.749 5.276 4.527 -0.001 0.000 0.311 329 F C -0.368 175.603 175.800 0.286 0.000 1.144 329 F CA -1.418 56.728 58.000 0.243 0.000 0.938 329 F CB 1.362 40.474 39.000 0.186 0.000 1.292 329 F HN 0.605 nan 8.300 nan 0.000 0.444 330 S N 1.881 117.848 115.700 0.444 0.000 2.523 330 S HA 0.355 4.824 4.470 -0.001 0.000 0.275 330 S C 0.658 175.436 174.600 0.296 0.000 1.281 330 S CA -0.724 57.609 58.200 0.222 0.000 1.050 330 S CB 0.603 63.862 63.200 0.097 0.000 0.937 330 S HN 0.681 nan 8.310 nan 0.000 0.492 331 L N 4.760 126.128 121.223 0.241 0.000 2.551 331 L HA 0.075 4.414 4.340 -0.001 0.000 0.228 331 L C 2.179 179.145 176.870 0.160 0.000 1.153 331 L CA 1.054 56.109 54.840 0.358 0.000 0.851 331 L CB -1.591 40.694 42.059 0.377 0.000 0.959 331 L HN 0.816 nan 8.230 nan 0.000 0.451 332 K N 0.991 121.370 120.400 -0.035 0.000 1.971 332 K HA -0.253 4.066 4.320 -0.001 0.000 0.221 332 K C 1.910 178.263 176.600 -0.412 0.000 1.050 332 K CA 2.188 58.264 56.287 -0.353 0.000 0.967 332 K CB 0.149 32.489 32.500 -0.267 0.000 0.733 332 K HN 0.157 nan 8.250 nan 0.000 0.445 333 E N 0.352 120.417 120.200 -0.225 0.000 2.058 333 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 333 E C 2.198 178.688 176.600 -0.184 0.000 0.997 333 E CA 1.655 57.938 56.400 -0.195 0.000 0.801 333 E CB -0.109 29.520 29.700 -0.119 0.000 0.746 333 E HN 0.279 nan 8.360 nan 0.000 0.450 334 Q N 0.045 119.753 119.800 -0.154 0.000 2.077 334 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 334 Q C 2.064 177.938 176.000 -0.210 0.000 0.989 334 Q CA 1.103 56.774 55.803 -0.219 0.000 0.853 334 Q CB -0.350 28.195 28.738 -0.321 0.000 0.907 334 Q HN 0.164 nan 8.270 nan 0.000 0.418 335 L N 0.463 121.655 121.223 -0.050 0.000 2.017 335 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 335 L C 2.125 178.966 176.870 -0.048 0.000 1.073 335 L CA 1.810 56.658 54.840 0.014 0.000 0.745 335 L CB -0.736 41.400 42.059 0.128 0.000 0.894 335 L HN 0.302 nan 8.230 nan 0.000 0.432 336 Q N -0.397 119.301 119.800 -0.169 0.000 2.002 336 Q HA -0.243 4.097 4.340 -0.001 0.000 0.204 336 Q C 1.312 177.275 176.000 -0.061 0.000 0.988 336 Q CA 1.935 57.678 55.803 -0.101 0.000 0.843 336 Q CB -0.352 28.265 28.738 -0.201 0.000 0.908 336 Q HN 0.715 nan 8.270 nan 0.000 0.420 337 D N -0.965 119.370 120.400 -0.109 0.000 2.324 337 D HA -0.048 4.592 4.640 -0.001 0.000 0.235 337 D C 1.335 177.551 176.300 -0.139 0.000 1.095 337 D CA 0.355 54.304 54.000 -0.084 0.000 0.871 337 D CB -0.050 40.714 40.800 -0.060 0.000 0.906 337 D HN 0.181 nan 8.370 nan 0.000 0.522 338 M N -0.428 119.030 119.600 -0.237 0.000 2.447 338 M HA 0.205 4.685 4.480 -0.001 0.000 0.264 338 M C 1.337 177.588 176.300 -0.082 0.000 1.095 338 M CA 1.313 56.439 55.300 -0.290 0.000 1.125 338 M CB 0.510 32.897 32.600 -0.355 0.000 1.389 338 M HN 0.456 nan 8.290 nan 0.000 0.459 339 G N -0.252 108.534 108.800 -0.024 0.000 3.468 339 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.219 339 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.219 339 G C -0.312 174.643 174.900 0.091 0.000 0.968 339 G CA -0.651 44.470 45.100 0.035 0.000 0.851 339 G HN 0.201 nan 8.290 nan 0.000 0.524 340 L N 3.633 124.935 121.223 0.132 0.000 2.384 340 L HA 0.566 4.906 4.340 -0.001 0.000 0.258 340 L C 1.534 178.599 176.870 0.325 0.000 1.266 340 L CA 0.072 55.065 54.840 0.256 0.000 1.162 340 L CB 0.404 42.682 42.059 0.365 0.000 1.375 340 L HN 0.046 nan 8.230 nan 0.000 0.420 341 V N 1.127 121.176 119.914 0.225 0.000 2.341 341 V HA -0.074 4.045 4.120 -0.001 0.000 0.240 341 V C 1.785 178.042 176.094 0.271 0.000 1.035 341 V CA 1.086 63.514 62.300 0.214 0.000 1.033 341 V CB -0.563 31.333 31.823 0.122 0.000 0.678 341 V HN 0.490 nan 8.190 nan 0.000 0.464 342 D N 0.585 121.100 120.400 0.192 0.000 2.116 342 D HA -0.196 4.443 4.640 -0.001 0.000 0.193 342 D C 1.919 178.304 176.300 0.142 0.000 0.998 342 D CA 1.336 55.424 54.000 0.147 0.000 0.836 342 D CB -0.463 40.400 40.800 0.103 0.000 0.951 342 D HN 0.293 nan 8.370 nan 0.000 0.449 343 L N -0.506 120.782 121.223 0.107 0.000 2.189 343 L HA -0.143 4.197 4.340 -0.001 0.000 0.214 343 L C 1.265 178.022 176.870 -0.189 0.000 1.097 343 L CA 1.541 56.327 54.840 -0.091 0.000 0.764 343 L CB -0.329 41.585 42.059 -0.241 0.000 0.900 343 L HN -0.009 nan 8.230 nan 0.000 0.436 344 F N -1.846 118.189 119.950 0.143 0.000 2.695 344 F HA 0.276 4.802 4.527 -0.001 0.000 0.303 344 F C 0.898 176.821 175.800 0.206 0.000 1.091 344 F CA -0.298 57.799 58.000 0.161 0.000 1.300 344 F CB -0.165 38.908 39.000 0.122 0.000 1.071 344 F HN -0.143 nan 8.300 nan 0.000 0.578 345 S N 1.461 117.338 115.700 0.294 0.000 2.566 345 S HA 0.261 4.730 4.470 -0.001 0.000 0.324 345 S C -1.927 172.714 174.600 0.069 0.000 1.081 345 S CA -1.103 57.203 58.200 0.176 0.000 1.105 345 S CB 1.693 64.982 63.200 0.148 0.000 0.981 345 S HN -0.154 nan 8.310 nan 0.000 0.464 346 P HA -0.180 nan 4.420 nan 0.000 0.216 346 P C 1.162 178.381 177.300 -0.135 0.000 1.153 346 P CA 1.140 64.058 63.100 -0.303 0.000 0.858 346 P CB 0.144 31.469 31.700 -0.625 0.000 0.789 347 E N -0.796 119.354 120.200 -0.083 0.000 2.482 347 E HA -0.040 4.310 4.350 -0.001 0.000 0.196 347 E C 1.160 177.756 176.600 -0.008 0.000 1.047 347 E CA 0.777 57.151 56.400 -0.044 0.000 0.869 347 E CB -0.245 29.434 29.700 -0.035 0.000 0.836 347 E HN 0.329 nan 8.360 nan 0.000 0.520 348 K N 0.454 120.863 120.400 0.014 0.000 2.474 348 K HA 0.165 4.484 4.320 -0.001 0.000 0.204 348 K C 0.452 177.078 176.600 0.043 0.000 1.220 348 K CA 0.057 56.364 56.287 0.033 0.000 0.966 348 K CB 0.683 33.212 32.500 0.048 0.000 1.049 348 K HN -0.109 nan 8.250 nan 0.000 0.554 349 S N 2.913 118.646 115.700 0.055 0.000 2.898 349 S HA 0.037 4.507 4.470 -0.001 0.000 0.324 349 S C 0.335 174.956 174.600 0.034 0.000 1.171 349 S CA 0.117 58.351 58.200 0.056 0.000 1.288 349 S CB -0.246 63.013 63.200 0.098 0.000 1.490 349 S HN -0.015 nan 8.310 nan 0.000 0.570 350 K N 3.077 123.493 120.400 0.026 0.000 2.034 350 K HA 0.165 4.485 4.320 -0.001 0.000 0.225 350 K C -0.471 176.130 176.600 0.001 0.000 1.190 350 K CA 0.224 56.520 56.287 0.015 0.000 1.152 350 K CB -0.682 31.830 32.500 0.020 0.000 1.300 350 K HN 0.541 nan 8.250 nan 0.000 0.268 351 L N 4.721 125.937 121.223 -0.011 0.000 2.504 351 L HA 0.255 4.594 4.340 -0.001 0.000 0.249 351 L C -1.724 175.117 176.870 -0.048 0.000 1.120 351 L CA -1.633 53.183 54.840 -0.040 0.000 0.997 351 L CB 1.015 43.035 42.059 -0.064 0.000 1.349 351 L HN 0.369 nan 8.230 nan 0.000 0.439 352 P HA -0.086 nan 4.420 nan 0.000 0.212 352 P C 1.723 178.984 177.300 -0.065 0.000 1.180 352 P CA 0.870 63.947 63.100 -0.039 0.000 0.902 352 P CB 0.201 31.889 31.700 -0.020 0.000 0.778 353 G N 0.017 108.781 108.800 -0.060 0.000 2.697 353 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.223 353 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.223 353 G C 1.405 176.195 174.900 -0.183 0.000 1.083 353 G CA 0.728 45.793 45.100 -0.057 0.000 0.722 353 G HN 0.340 nan 8.290 nan 0.000 0.604 354 I N 0.083 120.459 120.570 -0.325 0.000 2.499 354 I HA 0.125 4.294 4.170 -0.001 0.000 0.243 354 I C 1.465 177.523 176.117 -0.097 0.000 1.085 354 I CA 0.755 61.731 61.300 -0.540 0.000 1.422 354 I CB -0.042 37.612 38.000 -0.578 0.000 1.165 354 I HN 0.067 nan 8.210 nan 0.000 0.440 363 Y N 1.778 122.045 120.300 -0.055 0.000 2.562 363 Y HA 0.868 5.417 4.550 -0.001 0.000 0.343 363 Y C -0.745 175.097 175.900 -0.098 0.000 1.025 363 Y CA -1.603 56.458 58.100 -0.065 0.000 1.082 363 Y CB 1.158 39.603 38.460 -0.025 0.000 1.264 363 Y HN 0.124 nan 8.280 nan 0.000 0.478 364 V N 2.495 122.252 119.914 -0.261 0.000 2.567 364 V HA 0.249 4.369 4.120 -0.001 0.000 0.289 364 V C 0.691 176.604 176.094 -0.302 0.000 1.049 364 V CA 0.536 62.598 62.300 -0.398 0.000 0.969 364 V CB 1.377 32.904 31.823 -0.493 0.000 0.995 364 V HN 1.081 nan 8.190 nan 0.000 0.471 365 S N 2.207 117.729 115.700 -0.295 0.000 2.452 365 S HA 0.183 4.652 4.470 -0.001 0.000 0.225 365 S C 0.273 174.972 174.600 0.166 0.000 1.057 365 S CA 0.160 58.323 58.200 -0.061 0.000 0.949 365 S CB 0.330 63.431 63.200 -0.164 0.000 0.836 365 S HN 0.742 nan 8.310 nan 0.000 0.518 366 D N -0.053 120.391 120.400 0.074 0.000 2.787 366 D HA 0.602 5.242 4.640 -0.001 0.000 0.215 366 D C -1.600 174.544 176.300 -0.259 0.000 1.246 366 D CA -0.184 53.792 54.000 -0.041 0.000 0.798 366 D CB 1.898 42.560 40.800 -0.230 0.000 1.649 366 D HN 0.404 nan 8.370 nan 0.000 0.507 367 A N 2.367 125.084 122.820 -0.172 0.000 2.312 367 A HA 0.799 5.118 4.320 -0.001 0.000 0.326 367 A C -1.084 176.249 177.584 -0.418 0.000 1.172 367 A CA -0.410 51.553 52.037 -0.124 0.000 0.821 367 A CB 0.404 19.600 19.000 0.328 0.000 1.166 367 A HN 0.350 nan 8.150 nan 0.000 0.493 368 F N 0.977 121.004 119.950 0.128 0.000 2.546 368 F HA 0.524 5.050 4.527 -0.001 0.000 0.320 368 F C 0.314 176.134 175.800 0.033 0.000 1.076 368 F CA -0.323 57.728 58.000 0.085 0.000 0.928 368 F CB 2.016 41.037 39.000 0.036 0.000 1.189 368 F HN 0.686 nan 8.300 nan 0.000 0.465 369 H N 2.239 121.297 119.070 -0.021 0.000 2.821 369 H HA 0.596 5.152 4.556 -0.001 0.000 0.373 369 H C -1.663 173.497 175.328 -0.280 0.000 1.165 369 H CA -0.815 55.093 56.048 -0.233 0.000 1.154 369 H CB 2.502 31.932 29.762 -0.553 0.000 1.765 369 H HN 0.784 nan 8.280 nan 0.000 0.549 370 K N 2.252 122.413 120.400 -0.398 0.000 2.551 370 K HA 0.696 5.015 4.320 -0.001 0.000 0.269 370 K C -2.137 174.458 176.600 -0.008 0.000 0.949 370 K CA -0.556 55.693 56.287 -0.064 0.000 0.849 370 K CB 2.252 34.747 32.500 -0.008 0.000 1.411 370 K HN 0.667 nan 8.250 nan 0.000 0.432 371 A N 2.044 125.032 122.820 0.279 0.000 2.594 371 A HA 0.822 5.141 4.320 -0.001 0.000 0.291 371 A C -2.084 175.843 177.584 0.573 0.000 1.105 371 A CA -0.645 51.670 52.037 0.463 0.000 0.694 371 A CB 1.119 20.468 19.000 0.580 0.000 1.291 371 A HN 0.620 nan 8.150 nan 0.000 0.410 372 F N 0.300 120.491 119.950 0.402 0.000 2.601 372 F HA 0.792 5.319 4.527 -0.001 0.000 0.309 372 F C -1.781 174.031 175.800 0.020 0.000 1.089 372 F CA -0.942 57.167 58.000 0.181 0.000 0.940 372 F CB 1.950 41.008 39.000 0.097 0.000 1.273 372 F HN 0.766 nan 8.300 nan 0.000 0.450 373 L N 4.025 124.699 121.223 -0.915 0.000 2.466 373 L HA 0.622 4.961 4.340 -0.001 0.000 0.258 373 L C -1.940 174.268 176.870 -1.102 0.000 0.973 373 L CA -0.180 54.114 54.840 -0.911 0.000 0.826 373 L CB 2.275 43.598 42.059 -1.227 0.000 1.372 373 L HN 0.752 nan 8.230 nan 0.000 0.409 374 E N 3.308 123.059 120.200 -0.749 0.000 2.313 374 E HA 0.528 4.877 4.350 -0.001 0.000 0.280 374 E C -2.019 174.290 176.600 -0.485 0.000 0.898 374 E CA -0.568 55.448 56.400 -0.641 0.000 0.803 374 E CB 2.035 31.509 29.700 -0.376 0.000 1.286 374 E HN 0.532 nan 8.360 nan 0.000 0.401 375 V N 4.380 123.894 119.914 -0.668 0.000 2.472 375 V HA 0.511 4.630 4.120 -0.001 0.000 0.290 375 V C -0.002 175.992 176.094 -0.167 0.000 1.037 375 V CA -0.413 61.681 62.300 -0.344 0.000 0.908 375 V CB 1.332 32.898 31.823 -0.428 0.000 0.985 375 V HN 0.842 nan 8.190 nan 0.000 0.454 376 N N 1.837 120.576 118.700 0.064 0.000 3.243 376 N HA 0.336 5.075 4.740 -0.001 0.000 0.280 376 N C 0.305 175.991 175.510 0.293 0.000 1.545 376 N CA -0.810 52.291 53.050 0.084 0.000 0.854 376 N CB 1.113 39.624 38.487 0.039 0.000 1.612 376 N HN 0.217 nan 8.380 nan 0.000 0.577 377 E N -0.068 120.269 120.200 0.229 0.000 2.070 377 E HA -0.200 4.149 4.350 -0.001 0.000 0.197 377 E C 1.054 177.968 176.600 0.523 0.000 1.004 377 E CA 1.771 58.382 56.400 0.353 0.000 0.805 377 E CB -0.054 29.766 29.700 0.201 0.000 0.744 377 E HN 0.709 nan 8.360 nan 0.000 0.451 378 E N -1.075 119.329 120.200 0.340 0.000 2.170 378 E HA 0.081 4.430 4.350 -0.001 0.000 0.191 378 E C 0.786 177.488 176.600 0.169 0.000 0.981 378 E CA 0.692 57.256 56.400 0.272 0.000 0.830 378 E CB 0.377 30.153 29.700 0.127 0.000 0.775 378 E HN 0.209 nan 8.360 nan 0.000 0.470 379 G N -0.503 108.273 108.800 -0.040 0.000 2.392 379 G HA2 0.243 4.203 3.960 -0.001 0.000 0.260 379 G HA3 0.243 4.203 3.960 -0.001 0.000 0.260 379 G C -1.364 173.326 174.900 -0.351 0.000 1.226 379 G CA -0.117 44.632 45.100 -0.586 0.000 0.913 379 G HN 0.214 nan 8.290 nan 0.000 0.483 380 S N -1.121 114.400 115.700 -0.298 0.000 2.556 380 S HA 0.772 5.242 4.470 -0.001 0.000 0.271 380 S C -1.306 173.058 174.600 -0.394 0.000 1.135 380 S CA -0.603 57.457 58.200 -0.233 0.000 0.858 380 S CB 2.749 65.894 63.200 -0.092 0.000 1.114 380 S HN 0.913 nan 8.310 nan 0.000 0.468 381 E N 0.289 120.307 120.200 -0.303 0.000 2.248 381 E HA 0.698 5.048 4.350 -0.001 0.000 0.267 381 E C -1.326 175.160 176.600 -0.190 0.000 0.877 381 E CA -1.022 55.174 56.400 -0.339 0.000 0.759 381 E CB 1.903 31.532 29.700 -0.117 0.000 1.182 381 E HN 1.013 nan 8.360 nan 0.000 0.418 382 A N 2.274 124.924 122.820 -0.282 0.000 2.572 382 A HA 0.914 5.233 4.320 -0.001 0.000 0.295 382 A C -1.592 175.965 177.584 -0.044 0.000 1.072 382 A CA -0.064 51.815 52.037 -0.264 0.000 0.691 382 A CB 1.885 20.302 19.000 -0.972 0.000 1.291 382 A HN 0.691 nan 8.150 nan 0.000 0.404 383 A N -0.229 122.772 122.820 0.302 0.000 2.606 383 A HA 1.059 5.378 4.320 -0.001 0.000 0.293 383 A C -0.594 177.324 177.584 0.555 0.000 1.082 383 A CA 0.027 52.365 52.037 0.501 0.000 0.685 383 A CB 1.190 20.411 19.000 0.368 0.000 1.284 383 A HN 2.748 nan 8.150 nan 0.000 0.408 384 A N 0.135 123.188 122.820 0.389 0.000 2.599 384 A HA 0.860 5.180 4.320 -0.001 0.000 0.294 384 A C -0.707 176.874 177.584 -0.004 0.000 1.055 384 A CA -0.003 52.143 52.037 0.181 0.000 0.683 384 A CB 1.077 20.234 19.000 0.261 0.000 1.278 384 A HN 1.714 nan 8.150 nan 0.000 0.412 385 S N -0.265 115.307 115.700 -0.215 0.000 2.564 385 S HA 0.865 5.335 4.470 -0.001 0.000 0.274 385 S C -0.810 173.593 174.600 -0.327 0.000 1.124 385 S CA -0.520 57.574 58.200 -0.176 0.000 0.869 385 S CB 2.148 65.298 63.200 -0.084 0.000 1.105 385 S HN 0.900 nan 8.310 nan 0.000 0.472 386 T N 1.754 116.249 114.554 -0.098 0.000 2.861 386 T HA 0.770 5.119 4.350 -0.001 0.000 0.287 386 T C -0.889 173.822 174.700 0.018 0.000 1.003 386 T CA -0.590 61.520 62.100 0.017 0.000 0.977 386 T CB 1.638 70.600 68.868 0.157 0.000 0.996 386 T HN 0.786 nan 8.240 nan 0.000 0.448 387 A N 2.659 125.513 122.820 0.057 0.000 2.332 387 A HA 0.705 5.024 4.320 -0.001 0.000 0.300 387 A C -0.571 177.035 177.584 0.037 0.000 1.153 387 A CA -0.628 51.436 52.037 0.045 0.000 0.764 387 A CB 0.848 19.894 19.000 0.077 0.000 1.174 387 A HN 0.681 nan 8.150 nan 0.000 0.467 388 V N 3.395 123.245 119.914 -0.107 0.000 2.383 388 V HA 0.331 4.450 4.120 -0.001 0.000 0.275 388 V C -0.057 175.947 176.094 -0.151 0.000 1.036 388 V CA -0.386 61.786 62.300 -0.213 0.000 0.889 388 V CB 1.361 32.893 31.823 -0.485 0.000 0.985 388 V HN 0.612 nan 8.190 nan 0.000 0.459 389 V N 6.885 126.739 119.914 -0.100 0.000 2.398 389 V HA 0.390 4.509 4.120 -0.001 0.000 0.286 389 V C 0.698 176.662 176.094 -0.217 0.000 1.026 389 V CA -0.059 62.167 62.300 -0.123 0.000 0.868 389 V CB 1.534 33.366 31.823 0.016 0.000 0.982 389 V HN 0.718 nan 8.190 nan 0.000 0.443 390 I N 3.824 124.234 120.570 -0.268 0.000 3.158 390 I HA 0.091 4.260 4.170 -0.001 0.000 0.224 390 I C 2.036 177.870 176.117 -0.471 0.000 1.041 390 I CA 0.987 62.082 61.300 -0.341 0.000 1.433 390 I CB -0.128 37.718 38.000 -0.257 0.000 1.288 390 I HN 0.653 nan 8.210 nan 0.000 0.424 391 A N 1.056 123.639 122.820 -0.394 0.000 2.412 391 A HA 0.357 4.676 4.320 -0.001 0.000 0.253 391 A C 0.693 178.142 177.584 -0.224 0.000 1.334 391 A CA 0.100 51.858 52.037 -0.464 0.000 0.929 391 A CB -1.407 17.526 19.000 -0.113 0.000 0.983 391 A HN 0.480 nan 8.150 nan 0.000 0.508 392 G N 0.435 109.112 108.800 -0.205 0.000 2.332 392 G HA2 0.458 4.417 3.960 -0.001 0.000 0.310 392 G HA3 0.458 4.417 3.960 -0.001 0.000 0.310 392 G C 0.210 175.123 174.900 0.022 0.000 1.123 392 G CA -0.990 44.066 45.100 -0.072 0.000 0.873 392 G HN 0.764 nan 8.290 nan 0.000 0.460 393 R N 1.780 122.327 120.500 0.079 0.000 2.474 393 R HA 0.036 4.375 4.340 -0.001 0.000 0.290 393 R C 0.402 176.788 176.300 0.144 0.000 0.918 393 R CA 0.049 56.222 56.100 0.120 0.000 1.130 393 R CB 0.079 30.437 30.300 0.098 0.000 0.881 393 R HN 0.285 nan 8.270 nan 0.000 0.416 394 S N 3.377 119.176 115.700 0.164 0.000 2.579 394 S HA 0.436 4.905 4.470 -0.001 0.000 0.275 394 S C 0.145 174.849 174.600 0.173 0.000 1.345 394 S CA -0.322 57.986 58.200 0.180 0.000 1.031 394 S CB 0.215 63.509 63.200 0.157 0.000 0.892 394 S HN 0.553 nan 8.310 nan 0.000 0.529 395 L N 1.793 123.146 121.223 0.216 0.000 2.933 395 L HA 0.616 4.955 4.340 -0.001 0.000 0.271 395 L C -0.197 176.804 176.870 0.219 0.000 1.071 395 L CA -1.295 53.655 54.840 0.183 0.000 0.938 395 L CB 0.774 42.929 42.059 0.160 0.000 1.534 395 L HN 0.822 nan 8.230 nan 0.000 0.396 406 R N -0.063 120.468 120.500 0.052 0.000 2.580 406 R HA 0.430 4.769 4.340 -0.001 0.000 0.161 406 R C -1.897 174.558 176.300 0.258 0.000 1.659 406 R CA 0.145 56.345 56.100 0.166 0.000 1.325 406 R CB -0.183 30.211 30.300 0.157 0.000 1.254 406 R HN 0.082 nan 8.270 nan 0.000 0.474 407 P HA 0.208 nan 4.420 nan 0.000 0.284 407 P C -1.193 176.267 177.300 0.267 0.000 1.253 407 P CA -0.095 63.117 63.100 0.187 0.000 0.800 407 P CB 0.956 32.719 31.700 0.105 0.000 0.961 408 F N 0.976 120.957 119.950 0.051 0.000 2.611 408 F HA 0.685 5.211 4.527 -0.001 0.000 0.324 408 F C -1.296 174.576 175.800 0.119 0.000 1.061 408 F CA -1.799 56.242 58.000 0.068 0.000 0.954 408 F CB 0.332 39.361 39.000 0.048 0.000 1.301 408 F HN -0.033 nan 8.300 nan 0.000 0.482 409 L N 2.246 123.655 121.223 0.310 0.000 2.343 409 L HA 0.745 5.085 4.340 -0.001 0.000 0.275 409 L C -0.370 176.743 176.870 0.406 0.000 1.056 409 L CA -0.767 54.241 54.840 0.281 0.000 0.804 409 L CB 1.563 43.868 42.059 0.410 0.000 1.203 409 L HN 0.729 nan 8.230 nan 0.000 0.440 410 V N 3.251 123.388 119.914 0.372 0.000 2.709 410 V HA 0.672 4.791 4.120 -0.001 0.000 0.308 410 V C -1.544 174.889 176.094 0.565 0.000 1.062 410 V CA -0.371 62.223 62.300 0.491 0.000 0.901 410 V CB 1.788 33.824 31.823 0.355 0.000 1.003 410 V HN 0.478 nan 8.190 nan 0.000 0.425 411 F N 5.847 125.953 119.950 0.260 0.000 2.569 411 F HA 0.635 5.161 4.527 -0.001 0.000 0.312 411 F C -0.060 175.897 175.800 0.262 0.000 1.109 411 F CA -1.067 57.067 58.000 0.223 0.000 0.919 411 F CB 2.117 41.210 39.000 0.155 0.000 1.211 411 F HN 0.290 nan 8.300 nan 0.000 0.446 412 I N 4.467 125.281 120.570 0.407 0.000 2.405 412 I HA 0.421 4.591 4.170 -0.001 0.000 0.280 412 I C -0.371 175.861 176.117 0.191 0.000 1.027 412 I CA -0.615 60.872 61.300 0.312 0.000 1.161 412 I CB 1.224 39.398 38.000 0.289 0.000 1.300 412 I HN 0.604 nan 8.210 nan 0.000 0.463 413 R N 5.257 125.866 120.500 0.182 0.000 2.732 413 R HA 0.528 4.868 4.340 -0.001 0.000 0.278 413 R C -0.700 175.632 176.300 0.053 0.000 0.976 413 R CA -0.746 55.424 56.100 0.116 0.000 0.963 413 R CB 2.300 32.698 30.300 0.163 0.000 1.150 413 R HN 0.373 nan 8.270 nan 0.000 0.478 414 E N 3.459 123.666 120.200 0.012 0.000 2.073 414 E HA 0.085 4.434 4.350 -0.001 0.000 0.269 414 E C 0.915 177.535 176.600 0.034 0.000 0.917 414 E CA -0.455 55.945 56.400 -0.001 0.000 0.757 414 E CB 1.687 31.355 29.700 -0.053 0.000 1.111 414 E HN 0.644 nan 8.360 nan 0.000 0.410 415 V N 3.462 123.414 119.914 0.064 0.000 2.295 415 V HA -0.124 3.996 4.120 -0.001 0.000 0.246 415 V C -0.851 175.289 176.094 0.076 0.000 1.049 415 V CA 1.038 63.384 62.300 0.076 0.000 1.024 415 V CB -1.984 29.891 31.823 0.087 0.000 0.648 415 V HN 0.491 nan 8.190 nan 0.000 0.447 416 P HA -0.133 nan 4.420 nan 0.000 0.216 416 P C 1.493 178.853 177.300 0.099 0.000 1.154 416 P CA 1.628 64.769 63.100 0.068 0.000 0.865 416 P CB -0.156 31.571 31.700 0.045 0.000 0.789 417 L N -1.298 119.969 121.223 0.074 0.000 2.769 417 L HA 0.224 4.563 4.340 -0.001 0.000 0.240 417 L C 0.534 177.427 176.870 0.038 0.000 1.163 417 L CA -0.086 54.805 54.840 0.085 0.000 0.962 417 L CB -0.870 41.196 42.059 0.012 0.000 1.258 417 L HN 0.106 nan 8.230 nan 0.000 0.513 418 N N -0.501 118.231 118.700 0.054 0.000 2.686 418 N HA -0.212 4.527 4.740 -0.001 0.000 0.249 418 N C -0.609 174.879 175.510 -0.037 0.000 1.082 418 N CA 0.831 53.890 53.050 0.017 0.000 0.725 418 N CB -2.124 36.370 38.487 0.011 0.000 1.009 418 N HN 0.302 nan 8.380 nan 0.000 0.545 419 T N 1.646 116.178 114.554 -0.036 0.000 2.743 419 T HA 0.389 4.739 4.350 -0.001 0.000 0.290 419 T C 1.025 175.713 174.700 -0.020 0.000 0.908 419 T CA -0.396 61.672 62.100 -0.053 0.000 1.092 419 T CB 0.812 69.634 68.868 -0.076 0.000 0.882 419 T HN 0.231 nan 8.240 nan 0.000 0.531 420 I N 4.822 125.391 120.570 -0.002 0.000 2.505 420 I HA 0.111 4.281 4.170 -0.001 0.000 0.287 420 I C 1.564 177.660 176.117 -0.036 0.000 1.104 420 I CA -0.033 61.284 61.300 0.029 0.000 1.387 420 I CB 0.505 38.530 38.000 0.042 0.000 1.404 420 I HN 0.733 nan 8.210 nan 0.000 0.528 421 I N 3.148 123.679 120.570 -0.066 0.000 3.172 421 I HA 0.284 4.454 4.170 -0.001 0.000 0.278 421 I C -0.076 175.798 176.117 -0.405 0.000 1.174 421 I CA 0.470 61.638 61.300 -0.220 0.000 1.445 421 I CB 0.431 38.286 38.000 -0.241 0.000 1.175 421 I HN 0.160 nan 8.210 nan 0.000 0.447 422 F N 1.945 121.867 119.950 -0.047 0.000 2.563 422 F HA 0.713 5.239 4.527 -0.001 0.000 0.316 422 F C -0.247 175.464 175.800 -0.148 0.000 1.076 422 F CA -0.773 57.147 58.000 -0.134 0.000 0.921 422 F CB 2.093 41.109 39.000 0.026 0.000 1.209 422 F HN -0.075 nan 8.300 nan 0.000 0.462 423 M N 2.164 121.693 119.600 -0.118 0.000 2.413 423 M HA 0.773 5.253 4.480 -0.001 0.000 0.287 423 M C -1.330 174.935 176.300 -0.059 0.000 1.186 423 M CA -0.071 55.103 55.300 -0.211 0.000 0.927 423 M CB 2.411 34.778 32.600 -0.389 0.000 1.715 423 M HN 0.768 nan 8.290 nan 0.000 0.478 424 G N 2.731 111.600 108.800 0.115 0.000 2.554 424 G HA2 0.555 4.515 3.960 -0.001 0.000 0.306 424 G HA3 0.555 4.515 3.960 -0.001 0.000 0.306 424 G C -2.379 172.659 174.900 0.230 0.000 1.320 424 G CA -0.864 44.465 45.100 0.380 0.000 0.800 424 G HN 0.780 nan 8.290 nan 0.000 0.481 425 R N -0.138 120.493 120.500 0.218 0.000 2.532 425 R HA 0.608 4.947 4.340 -0.001 0.000 0.297 425 R C -1.624 174.619 176.300 -0.097 0.000 0.984 425 R CA -0.443 55.702 56.100 0.074 0.000 0.884 425 R CB 2.117 32.519 30.300 0.169 0.000 1.182 425 R HN 0.370 nan 8.270 nan 0.000 0.442 426 V N 4.357 124.027 119.914 -0.407 0.000 2.398 426 V HA 0.526 4.645 4.120 -0.001 0.000 0.286 426 V C 0.378 176.247 176.094 -0.375 0.000 1.026 426 V CA 0.007 61.965 62.300 -0.569 0.000 0.868 426 V CB 1.159 32.238 31.823 -1.241 0.000 0.982 426 V HN 1.032 nan 8.190 nan 0.000 0.443 427 A N 4.558 127.247 122.820 -0.217 0.000 2.083 427 A HA 0.310 4.629 4.320 -0.001 0.000 0.210 427 A C 0.889 178.387 177.584 -0.144 0.000 2.137 427 A CA 0.242 52.243 52.037 -0.061 0.000 1.008 427 A CB -0.277 18.725 19.000 0.004 0.000 1.306 427 A HN 0.733 nan 8.150 nan 0.000 0.632 428 N N 1.535 120.112 118.700 -0.205 0.000 2.442 428 N HA 0.385 5.124 4.740 -0.001 0.000 0.265 428 N C -2.682 172.560 175.510 -0.447 0.000 1.138 428 N CA -1.396 51.417 53.050 -0.394 0.000 0.956 428 N CB 1.179 39.548 38.487 -0.195 0.000 1.067 428 N HN 0.043 nan 8.380 nan 0.000 0.474 429 P HA 0.348 nan 4.420 nan 0.000 0.289 429 P C -0.392 176.766 177.300 -0.236 0.000 1.599 429 P CA -0.388 62.489 63.100 -0.371 0.000 1.239 429 P CB 0.185 31.644 31.700 -0.402 0.000 1.581 430 c N 0.000 118.443 118.600 -0.262 0.000 2.653 430 c HA 0.000 4.569 4.570 -0.001 0.000 0.325 430 c CA 0.000 56.240 56.329 -0.148 0.000 1.963 430 c CB 0.000 42.426 42.510 -0.140 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568