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 1nmb_1_N DATA FIRST_RESID 82 DATA SEQUENCE REFNNLTKGL cTINSWHIYG KDNAVRIGED SDVLVTREPY VScDPDEcRF DATA SEQUENCE YALSQGTTIR GKHSNGTIHD RSQYRDLISW PLSSPPTYNS RVEcIGWSST DATA SEQUENCE ScHDGRARMS IcISGPNNNA SAVIWYNRRP VTEINTWARN ILRTQESEcV DATA SEQUENCE cQNGVcPVVF TDGSATGPAE TRIYYFKEGK ILKWEPLTGT AKHIEEcScY DATA SEQUENCE GEQAGVTcTc RDNWQGSNRP VIQIDPVAMT HTSQYIcSPV LTDNPRPNDP DATA SEQUENCE TVXGKcNDPY PGNNNNGVKG FSYLDGGNTW LGRTISIASR SGYEMLKVPN DATA SEQUENCE ALTDDRSKPT QXGQTIVLNT DWSGYSGSFM WAEGEcYRAc FYVELIRGRP DATA SEQUENCE KEDKVWWTSN SIVSMcSSTE FLGQWNWPDG AKIEYFL 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 82 R HA 0.000 nan 4.340 nan 0.000 0.208 82 R C 0.000 176.257 176.300 -0.072 0.000 0.893 82 R CA 0.000 56.087 56.100 -0.021 0.000 0.921 82 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 83 E N 2.232 122.424 120.200 -0.014 0.000 2.280 83 E HA 0.301 4.651 4.350 -0.000 0.000 0.264 83 E C -0.476 176.140 176.600 0.026 0.000 1.064 83 E CA -0.647 55.732 56.400 -0.035 0.000 0.900 83 E CB 0.949 30.685 29.700 0.059 0.000 1.123 83 E HN 0.171 nan 8.360 nan 0.000 0.418 84 F N 1.688 121.733 119.950 0.158 0.000 2.529 84 F HA 0.005 4.532 4.527 -0.000 0.000 0.365 84 F C 1.246 177.168 175.800 0.203 0.000 1.102 84 F CA -0.102 58.011 58.000 0.188 0.000 1.271 84 F CB -0.010 39.080 39.000 0.151 0.000 1.120 84 F HN 0.386 nan 8.300 nan 0.000 0.579 85 N N 2.002 120.988 118.700 0.477 0.000 2.231 85 N HA 0.023 4.763 4.740 -0.000 0.000 0.223 85 N C -1.051 174.588 175.510 0.213 0.000 1.329 85 N CA 0.465 53.711 53.050 0.326 0.000 0.889 85 N CB 0.239 38.902 38.487 0.293 0.000 1.125 85 N HN 0.523 nan 8.380 nan 0.000 0.447 86 N N 0.566 119.342 118.700 0.126 0.000 2.537 86 N HA 0.193 4.933 4.740 -0.000 0.000 0.281 86 N C -1.455 174.124 175.510 0.114 0.000 1.097 86 N CA -0.502 52.617 53.050 0.116 0.000 0.964 86 N CB 0.893 39.456 38.487 0.126 0.000 1.588 86 N HN 0.325 nan 8.380 nan 0.000 0.511 87 L N 2.365 123.657 121.223 0.115 0.000 2.530 87 L HA 0.111 4.451 4.340 -0.000 0.000 0.247 87 L C 1.788 178.785 176.870 0.212 0.000 1.416 87 L CA 0.728 55.685 54.840 0.196 0.000 1.202 87 L CB -1.444 40.703 42.059 0.146 0.000 1.415 87 L HN 0.561 nan 8.230 nan 0.000 0.443 88 T N -0.727 113.958 114.554 0.218 0.000 2.896 88 T HA 0.019 4.369 4.350 -0.000 0.000 0.263 88 T C 1.127 175.812 174.700 -0.025 0.000 1.050 88 T CA 0.960 63.118 62.100 0.096 0.000 1.140 88 T CB 0.247 69.166 68.868 0.085 0.000 0.877 88 T HN 0.392 nan 8.240 nan 0.000 0.457 89 K N 0.246 120.509 120.400 -0.228 0.000 2.240 89 K HA 0.602 4.922 4.320 -0.000 0.000 0.237 89 K C 0.273 176.554 176.600 -0.532 0.000 1.027 89 K CA -0.824 55.105 56.287 -0.596 0.000 0.937 89 K CB 0.991 32.806 32.500 -1.143 0.000 1.171 89 K HN 0.186 nan 8.250 nan 0.000 0.479 90 G N 0.040 108.595 108.800 -0.408 0.000 2.644 90 G HA2 0.516 4.476 3.960 -0.000 0.000 0.307 90 G HA3 0.516 4.476 3.960 -0.000 0.000 0.307 90 G C -0.775 174.033 174.900 -0.153 0.000 1.250 90 G CA -1.022 43.982 45.100 -0.160 0.000 0.996 90 G HN 0.340 nan 8.290 nan 0.000 0.489 91 L N -0.019 121.197 121.223 -0.011 0.000 2.426 91 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 91 L C 0.421 177.234 176.870 -0.094 0.000 1.169 91 L CA -0.740 54.072 54.840 -0.047 0.000 0.836 91 L CB 0.521 42.555 42.059 -0.041 0.000 1.112 91 L HN 0.390 nan 8.230 nan 0.000 0.465 92 c N 0.589 119.107 118.600 -0.138 0.000 2.563 92 c HA 0.212 4.782 4.570 -0.000 0.000 0.358 92 c C 0.970 174.973 174.090 -0.146 0.000 1.336 92 c CA -0.739 55.509 56.329 -0.134 0.000 2.454 92 c CB 0.263 42.682 42.510 -0.152 0.000 2.448 92 c HN 0.715 nan 8.230 nan 0.000 0.670 93 T N 2.503 116.987 114.554 -0.116 0.000 2.784 93 T HA 0.220 4.570 4.350 -0.000 0.000 0.291 93 T C 0.022 174.596 174.700 -0.210 0.000 0.942 93 T CA 0.465 62.503 62.100 -0.103 0.000 1.161 93 T CB -0.331 68.506 68.868 -0.051 0.000 0.885 93 T HN 0.354 nan 8.240 nan 0.000 0.534 94 I N 4.418 124.850 120.570 -0.231 0.000 2.301 94 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 94 I C 0.892 176.804 176.117 -0.341 0.000 1.046 94 I CA -0.405 60.588 61.300 -0.512 0.000 1.282 94 I CB 0.578 38.157 38.000 -0.701 0.000 1.409 94 I HN 0.583 nan 8.210 nan 0.000 0.484 95 N N 2.707 121.092 118.700 -0.525 0.000 2.382 95 N HA 0.132 4.872 4.740 -0.000 0.000 0.200 95 N C -0.021 175.187 175.510 -0.503 0.000 1.122 95 N CA 0.277 53.007 53.050 -0.534 0.000 0.870 95 N CB 1.115 38.939 38.487 -1.106 0.000 1.176 95 N HN 0.479 nan 8.380 nan 0.000 0.474 96 S N -0.962 114.381 115.700 -0.595 0.000 2.550 96 S HA 0.397 4.867 4.470 -0.000 0.000 0.270 96 S C -2.144 172.163 174.600 -0.487 0.000 1.145 96 S CA -0.572 57.410 58.200 -0.363 0.000 0.852 96 S CB 1.034 64.145 63.200 -0.149 0.000 1.119 96 S HN 0.100 nan 8.310 nan 0.000 0.465 97 W N 6.015 127.227 121.300 -0.147 0.000 2.278 97 W HA 0.304 4.964 4.660 -0.000 0.000 0.317 97 W C 0.272 176.778 176.519 -0.023 0.000 1.030 97 W CA -0.375 56.897 57.345 -0.123 0.000 1.334 97 W CB 0.495 29.947 29.460 -0.013 0.000 1.215 97 W HN 0.779 nan 8.180 nan 0.000 0.405 98 H N 2.336 121.434 119.070 0.047 0.000 2.511 98 H HA 0.253 4.809 4.556 -0.000 0.000 0.346 98 H C -0.157 175.202 175.328 0.052 0.000 1.128 98 H CA -0.823 55.272 56.048 0.078 0.000 1.342 98 H CB 1.955 31.735 29.762 0.031 0.000 1.470 98 H HN 0.263 nan 8.280 nan 0.000 0.546 99 I N 3.492 124.170 120.570 0.180 0.000 2.683 99 I HA -0.131 4.039 4.170 -0.000 0.000 0.286 99 I C 0.017 176.198 176.117 0.108 0.000 1.175 99 I CA 0.271 61.504 61.300 -0.113 0.000 1.429 99 I CB -0.145 37.627 38.000 -0.380 0.000 1.371 99 I HN 0.701 nan 8.210 nan 0.000 0.569 100 Y N 6.301 126.512 120.300 -0.149 0.000 2.585 100 Y HA 0.565 5.115 4.550 -0.000 0.000 0.272 100 Y C 0.655 176.569 175.900 0.023 0.000 1.119 100 Y CA 0.541 58.635 58.100 -0.009 0.000 1.255 100 Y CB 0.544 38.997 38.460 -0.012 0.000 1.284 100 Y HN 0.595 nan 8.280 nan 0.000 0.499 101 G N 0.605 109.468 108.800 0.104 0.000 2.632 101 G HA2 0.473 4.433 3.960 -0.000 0.000 0.292 101 G HA3 0.473 4.433 3.960 -0.000 0.000 0.292 101 G C -2.063 172.916 174.900 0.132 0.000 1.465 101 G CA -0.934 44.241 45.100 0.124 0.000 0.824 101 G HN -0.009 nan 8.290 nan 0.000 0.509 102 K N 0.989 121.501 120.400 0.186 0.000 2.575 102 K HA 0.234 4.554 4.320 -0.000 0.000 0.271 102 K C -2.027 174.705 176.600 0.220 0.000 1.013 102 K CA -0.657 55.718 56.287 0.147 0.000 0.939 102 K CB 1.359 33.896 32.500 0.062 0.000 1.328 102 K HN 0.717 nan 8.250 nan 0.000 0.450 103 D N 3.066 123.633 120.400 0.279 0.000 2.414 103 D HA 0.161 4.801 4.640 -0.000 0.000 0.232 103 D C -0.733 175.680 176.300 0.189 0.000 1.070 103 D CA -0.635 53.536 54.000 0.286 0.000 0.839 103 D CB 1.080 42.174 40.800 0.489 0.000 1.079 103 D HN 0.417 nan 8.370 nan 0.000 0.521 104 N N 1.541 120.329 118.700 0.148 0.000 3.210 104 N HA 0.219 4.959 4.740 -0.000 0.000 0.314 104 N C 1.387 176.961 175.510 0.107 0.000 1.291 104 N CA -0.198 52.928 53.050 0.127 0.000 1.202 104 N CB 0.751 39.310 38.487 0.120 0.000 1.475 104 N HN 0.567 nan 8.380 nan 0.000 0.554 105 A N -0.129 122.750 122.820 0.097 0.000 1.903 105 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 105 A C 2.023 179.628 177.584 0.035 0.000 1.191 105 A CA 1.663 53.724 52.037 0.041 0.000 0.638 105 A CB -0.531 18.479 19.000 0.017 0.000 0.823 105 A HN 0.324 nan 8.150 nan 0.000 0.451 106 V N -0.735 119.224 119.914 0.074 0.000 2.719 106 V HA -0.147 3.973 4.120 -0.000 0.000 0.252 106 V C 2.514 178.773 176.094 0.275 0.000 1.065 106 V CA 1.750 64.123 62.300 0.122 0.000 1.086 106 V CB -0.787 31.105 31.823 0.114 0.000 0.700 106 V HN 0.486 nan 8.190 nan 0.000 0.467 107 R N 0.054 120.678 120.500 0.206 0.000 2.075 107 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 107 R C 2.304 178.682 176.300 0.130 0.000 1.140 107 R CA 1.912 58.129 56.100 0.195 0.000 0.928 107 R CB -0.398 29.991 30.300 0.148 0.000 0.834 107 R HN 0.387 nan 8.270 nan 0.000 0.429 108 I N -0.059 120.564 120.570 0.088 0.000 2.286 108 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 108 I C 2.449 178.584 176.117 0.029 0.000 1.115 108 I CA 1.322 62.648 61.300 0.043 0.000 1.392 108 I CB -0.631 37.388 38.000 0.031 0.000 1.065 108 I HN 0.396 nan 8.210 nan 0.000 0.418 109 G N 1.457 110.284 108.800 0.046 0.000 2.517 109 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 109 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 109 G C 1.374 176.312 174.900 0.064 0.000 1.109 109 G CA 1.227 46.342 45.100 0.025 0.000 0.746 109 G HN 0.640 nan 8.290 nan 0.000 0.576 110 E N -0.608 119.636 120.200 0.074 0.000 2.478 110 E HA -0.010 4.340 4.350 -0.000 0.000 0.198 110 E C 0.729 177.274 176.600 -0.092 0.000 1.046 110 E CA 1.006 57.356 56.400 -0.083 0.000 0.870 110 E CB 0.232 29.579 29.700 -0.588 0.000 0.818 110 E HN 0.239 nan 8.360 nan 0.000 0.527 111 D N -0.090 120.278 120.400 -0.054 0.000 3.220 111 D HA 0.251 4.891 4.640 -0.000 0.000 0.309 111 D C -1.267 175.018 176.300 -0.024 0.000 1.276 111 D CA -0.149 53.822 54.000 -0.049 0.000 0.736 111 D CB 0.342 41.099 40.800 -0.072 0.000 1.304 111 D HN 0.051 nan 8.370 nan 0.000 0.582 112 S N -0.348 115.343 115.700 -0.014 0.000 2.663 112 S HA 0.188 4.658 4.470 -0.000 0.000 0.264 112 S C -1.685 172.905 174.600 -0.016 0.000 1.112 112 S CA -0.700 57.500 58.200 0.000 0.000 0.823 112 S CB 1.380 64.576 63.200 -0.005 0.000 1.111 112 S HN 0.047 nan 8.310 nan 0.000 0.476 113 D N 2.267 122.659 120.400 -0.013 0.000 2.781 113 D HA 0.329 4.969 4.640 -0.000 0.000 0.254 113 D C -0.587 175.594 176.300 -0.198 0.000 1.213 113 D CA 0.089 54.024 54.000 -0.109 0.000 0.994 113 D CB 0.501 41.206 40.800 -0.160 0.000 1.019 113 D HN 0.158 nan 8.370 nan 0.000 0.514 114 V N 1.745 121.555 119.914 -0.173 0.000 2.461 114 V HA 0.205 4.325 4.120 -0.000 0.000 0.275 114 V C 0.918 176.863 176.094 -0.248 0.000 1.047 114 V CA -0.725 61.439 62.300 -0.227 0.000 0.955 114 V CB 1.403 33.114 31.823 -0.187 0.000 0.988 114 V HN 0.228 nan 8.190 nan 0.000 0.471 115 L N 4.456 125.504 121.223 -0.292 0.000 2.439 115 L HA 0.262 4.601 4.340 -0.000 0.000 0.269 115 L C 0.099 176.828 176.870 -0.235 0.000 1.179 115 L CA -0.138 54.550 54.840 -0.254 0.000 0.828 115 L CB 1.000 42.897 42.059 -0.270 0.000 1.106 115 L HN 0.370 nan 8.230 nan 0.000 0.467 116 V N 1.879 121.683 119.914 -0.183 0.000 2.555 116 V HA 0.316 4.436 4.120 -0.000 0.000 0.286 116 V C 0.558 176.595 176.094 -0.095 0.000 1.044 116 V CA 0.003 62.209 62.300 -0.157 0.000 1.026 116 V CB 1.040 32.797 31.823 -0.110 0.000 0.981 116 V HN 1.027 nan 8.190 nan 0.000 0.480 117 T N 3.477 117.989 114.554 -0.071 0.000 2.669 117 T HA 0.840 5.190 4.350 -0.000 0.000 0.283 117 T C -0.517 174.193 174.700 0.017 0.000 1.019 117 T CA -0.978 61.114 62.100 -0.013 0.000 1.039 117 T CB 2.487 71.354 68.868 -0.002 0.000 1.374 117 T HN 0.594 nan 8.240 nan 0.000 0.523 118 R N -0.835 119.691 120.500 0.044 0.000 3.110 118 R HA 0.291 4.631 4.340 -0.000 0.000 0.287 118 R C -1.482 174.856 176.300 0.062 0.000 0.969 118 R CA -0.658 55.457 56.100 0.025 0.000 0.828 118 R CB 0.549 30.835 30.300 -0.022 0.000 1.354 118 R HN 0.921 nan 8.270 nan 0.000 0.524 119 E N -0.200 120.023 120.200 0.038 0.000 2.252 119 E HA -0.157 4.193 4.350 -0.000 0.000 0.218 119 E C -2.490 174.250 176.600 0.234 0.000 1.253 119 E CA 0.821 57.323 56.400 0.170 0.000 0.705 119 E CB -0.950 28.872 29.700 0.202 0.000 1.172 119 E HN 0.258 nan 8.360 nan 0.000 0.369 120 P HA 0.367 nan 4.420 nan 0.000 0.279 120 P C -0.567 176.580 177.300 -0.256 0.000 1.276 120 P CA -0.201 62.854 63.100 -0.075 0.000 0.801 120 P CB 0.737 32.330 31.700 -0.178 0.000 1.127 121 Y N -3.439 116.393 120.300 -0.781 0.000 2.851 121 Y HA 0.559 5.109 4.550 -0.000 0.000 0.359 121 Y C -2.040 173.454 175.900 -0.676 0.000 1.231 121 Y CA -1.389 56.026 58.100 -1.140 0.000 1.106 121 Y CB 0.136 38.294 38.460 -0.503 0.000 1.409 121 Y HN 0.341 nan 8.280 nan 0.000 0.454 122 V N 0.781 120.469 119.914 -0.377 0.000 2.789 122 V HA 0.918 5.038 4.120 -0.000 0.000 0.311 122 V C -1.238 174.649 176.094 -0.345 0.000 1.073 122 V CA 0.196 62.239 62.300 -0.428 0.000 0.921 122 V CB 1.749 33.142 31.823 -0.717 0.000 1.009 122 V HN 1.254 nan 8.190 nan 0.000 0.426 123 S N 3.875 119.471 115.700 -0.173 0.000 2.607 123 S HA 0.834 5.304 4.470 -0.000 0.000 0.273 123 S C -1.157 173.501 174.600 0.097 0.000 1.148 123 S CA -0.373 57.819 58.200 -0.014 0.000 0.833 123 S CB 1.660 64.795 63.200 -0.108 0.000 1.130 123 S HN 1.160 nan 8.310 nan 0.000 0.470 124 c N 2.128 120.862 118.600 0.222 0.000 2.634 124 c HA 0.789 5.359 4.570 -0.000 0.000 0.313 124 c C -0.871 173.277 174.090 0.097 0.000 1.198 124 c CA -0.882 55.579 56.329 0.220 0.000 1.605 124 c CB 1.396 44.159 42.510 0.421 0.000 2.196 124 c HN 0.894 nan 8.230 nan 0.000 0.486 125 D N 1.085 121.304 120.400 -0.301 0.000 2.506 125 D HA 0.364 5.004 4.640 -0.000 0.000 0.254 125 D C -2.102 173.452 176.300 -1.244 0.000 1.089 125 D CA -1.652 51.761 54.000 -0.979 0.000 1.050 125 D CB 0.343 40.677 40.800 -0.777 0.000 1.221 125 D HN 0.082 nan 8.370 nan 0.000 0.589 126 P HA -0.060 nan 4.420 nan 0.000 0.231 126 P C -0.481 176.527 177.300 -0.486 0.000 1.154 126 P CA 1.226 63.556 63.100 -1.283 0.000 0.762 126 P CB 0.071 31.169 31.700 -1.003 0.000 0.790 127 D N -4.116 116.058 120.400 -0.377 0.000 2.755 127 D HA 0.157 4.797 4.640 -0.000 0.000 0.293 127 D C -0.125 176.094 176.300 -0.136 0.000 1.642 127 D CA -0.235 53.655 54.000 -0.183 0.000 0.825 127 D CB -0.137 40.562 40.800 -0.169 0.000 1.303 127 D HN -0.019 nan 8.370 nan 0.000 0.434 128 E N -0.904 119.216 120.200 -0.134 0.000 2.392 128 E HA 0.470 4.820 4.350 -0.000 0.000 0.281 128 E C -1.785 174.784 176.600 -0.052 0.000 1.088 128 E CA -0.823 55.519 56.400 -0.096 0.000 0.850 128 E CB 1.782 31.404 29.700 -0.129 0.000 1.267 128 E HN 0.172 nan 8.360 nan 0.000 0.438 129 c N 1.548 120.120 118.600 -0.046 0.000 2.609 129 c HA 0.683 5.253 4.570 -0.000 0.000 0.313 129 c C -0.681 173.310 174.090 -0.165 0.000 1.175 129 c CA -0.677 55.646 56.329 -0.011 0.000 1.434 129 c CB 0.942 43.532 42.510 0.133 0.000 2.005 129 c HN 0.628 nan 8.230 nan 0.000 0.471 130 R N 1.329 121.720 120.500 -0.182 0.000 2.836 130 R HA 0.734 5.074 4.340 -0.000 0.000 0.269 130 R C -1.380 174.660 176.300 -0.434 0.000 1.010 130 R CA -0.624 55.219 56.100 -0.429 0.000 0.930 130 R CB 1.105 31.146 30.300 -0.431 0.000 1.218 130 R HN 0.378 nan 8.270 nan 0.000 0.473 131 F N 0.650 120.005 119.950 -0.992 0.000 2.380 131 F HA 0.420 4.947 4.527 -0.000 0.000 0.325 131 F C 0.009 174.950 175.800 -1.432 0.000 1.136 131 F CA -0.712 56.480 58.000 -1.346 0.000 1.171 131 F CB 0.333 38.100 39.000 -2.055 0.000 1.230 131 F HN 0.287 nan 8.300 nan 0.000 0.554 132 Y N -0.537 119.138 120.300 -1.041 0.000 2.562 132 Y HA 0.720 5.269 4.550 -0.000 0.000 0.345 132 Y C -0.154 175.424 175.900 -0.537 0.000 1.045 132 Y CA -1.193 56.437 58.100 -0.783 0.000 1.028 132 Y CB 1.999 39.767 38.460 -1.153 0.000 1.297 132 Y HN 0.756 nan 8.280 nan 0.000 0.463 133 A N 0.878 123.711 122.820 0.022 0.000 2.515 133 A HA 0.671 4.991 4.320 -0.000 0.000 0.292 133 A C -2.642 175.031 177.584 0.149 0.000 1.065 133 A CA -0.673 51.441 52.037 0.128 0.000 0.641 133 A CB 0.928 20.088 19.000 0.267 0.000 1.306 133 A HN 0.442 nan 8.150 nan 0.000 0.441 134 L N 1.695 123.003 121.223 0.143 0.000 2.264 134 L HA 0.555 4.895 4.340 -0.000 0.000 0.287 134 L C 0.933 177.856 176.870 0.089 0.000 1.039 134 L CA 0.138 55.055 54.840 0.128 0.000 0.829 134 L CB 0.601 42.755 42.059 0.158 0.000 1.211 134 L HN 0.791 nan 8.230 nan 0.000 0.427 135 S N 2.168 117.904 115.700 0.060 0.000 2.600 135 S HA 0.176 4.646 4.470 -0.000 0.000 0.265 135 S C 0.773 175.399 174.600 0.045 0.000 1.325 135 S CA -0.153 58.055 58.200 0.014 0.000 1.002 135 S CB 0.648 63.831 63.200 -0.027 0.000 0.921 135 S HN 0.636 nan 8.310 nan 0.000 0.554 136 Q N 1.167 120.984 119.800 0.028 0.000 2.194 136 Q HA 0.204 4.544 4.340 -0.000 0.000 0.214 136 Q C 0.907 176.948 176.000 0.068 0.000 0.838 136 Q CA 0.533 56.380 55.803 0.073 0.000 0.972 136 Q CB 0.627 29.402 28.738 0.063 0.000 1.131 136 Q HN 1.148 nan 8.270 nan 0.000 0.498 137 G N 2.073 110.884 108.800 0.019 0.000 2.314 137 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.292 137 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.292 137 G C 0.013 174.874 174.900 -0.064 0.000 1.059 137 G CA 1.152 46.245 45.100 -0.012 0.000 0.982 137 G HN 0.339 nan 8.290 nan 0.000 0.505 138 T N -1.531 112.980 114.554 -0.071 0.000 2.907 138 T HA 0.661 5.011 4.350 -0.000 0.000 0.344 138 T C 0.403 175.044 174.700 -0.097 0.000 1.675 138 T CA 0.934 62.994 62.100 -0.067 0.000 1.076 138 T CB 0.903 69.777 68.868 0.009 0.000 1.483 138 T HN 1.385 nan 8.240 nan 0.000 0.487 139 T N 1.173 115.665 114.554 -0.103 0.000 2.814 139 T HA 0.571 4.920 4.350 -0.000 0.000 0.284 139 T C 1.708 176.307 174.700 -0.168 0.000 0.998 139 T CA -0.592 61.420 62.100 -0.147 0.000 0.935 139 T CB 0.377 69.163 68.868 -0.136 0.000 1.167 139 T HN 0.527 nan 8.240 nan 0.000 0.545 140 I N 0.145 120.576 120.570 -0.232 0.000 2.333 140 I HA 0.013 4.183 4.170 -0.000 0.000 0.246 140 I C 2.871 178.845 176.117 -0.238 0.000 1.106 140 I CA 0.645 61.704 61.300 -0.401 0.000 1.411 140 I CB -0.197 37.473 38.000 -0.551 0.000 1.082 140 I HN 0.544 nan 8.210 nan 0.000 0.420 141 R N 1.106 121.563 120.500 -0.072 0.000 2.275 141 R HA 0.130 4.470 4.340 -0.000 0.000 0.199 141 R C 1.066 177.392 176.300 0.043 0.000 0.989 141 R CA 0.248 56.373 56.100 0.042 0.000 1.016 141 R CB -0.285 30.048 30.300 0.056 0.000 0.918 141 R HN 0.267 nan 8.270 nan 0.000 0.473 142 G N 0.924 109.731 108.800 0.011 0.000 2.606 142 G HA2 0.019 3.979 3.960 -0.000 0.000 0.252 142 G HA3 0.019 3.979 3.960 -0.000 0.000 0.252 142 G C 0.379 175.289 174.900 0.016 0.000 1.206 142 G CA -0.481 44.634 45.100 0.025 0.000 0.861 142 G HN 0.051 nan 8.290 nan 0.000 0.561 143 K N -0.384 119.988 120.400 -0.048 0.000 2.209 143 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 143 K C 1.454 177.921 176.600 -0.223 0.000 1.048 143 K CA 0.907 57.106 56.287 -0.147 0.000 0.940 143 K CB -0.039 32.318 32.500 -0.239 0.000 0.729 143 K HN 0.524 nan 8.250 nan 0.000 0.451 144 H N 0.169 119.220 119.070 -0.032 0.000 2.574 144 H HA 0.020 4.576 4.556 -0.000 0.000 0.277 144 H C 1.605 176.926 175.328 -0.012 0.000 1.058 144 H CA 0.895 56.915 56.048 -0.047 0.000 1.171 144 H CB 0.061 29.771 29.762 -0.087 0.000 1.304 144 H HN 0.256 nan 8.280 nan 0.000 0.620 145 S N -0.543 115.208 115.700 0.085 0.000 2.517 145 S HA -0.060 4.410 4.470 -0.000 0.000 0.214 145 S C 0.891 175.610 174.600 0.198 0.000 0.991 145 S CA -0.521 57.761 58.200 0.135 0.000 0.906 145 S CB 0.042 63.312 63.200 0.116 0.000 0.789 145 S HN 0.130 nan 8.310 nan 0.000 0.513 146 N N 2.229 121.010 118.700 0.134 0.000 2.438 146 N HA 0.371 5.111 4.740 -0.000 0.000 0.267 146 N C 0.936 176.499 175.510 0.088 0.000 1.222 146 N CA 1.392 54.521 53.050 0.132 0.000 0.930 146 N CB 0.068 38.523 38.487 -0.053 0.000 1.083 146 N HN 0.576 nan 8.380 nan 0.000 0.476 147 G N 2.024 110.879 108.800 0.093 0.000 2.168 147 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.197 147 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.197 147 G C 0.785 175.646 174.900 -0.065 0.000 0.997 147 G CA 0.363 45.433 45.100 -0.050 0.000 0.658 147 G HN 0.673 nan 8.290 nan 0.000 0.513 148 T N -0.606 113.976 114.554 0.046 0.000 3.155 148 T HA 0.169 4.519 4.350 -0.000 0.000 0.264 148 T C 2.238 176.956 174.700 0.030 0.000 1.160 148 T CA 1.071 63.214 62.100 0.071 0.000 1.075 148 T CB 0.174 69.115 68.868 0.122 0.000 0.921 148 T HN 0.588 nan 8.240 nan 0.000 0.533 149 I N 1.021 121.556 120.570 -0.058 0.000 2.163 149 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 149 I C 0.610 176.742 176.117 0.025 0.000 1.085 149 I CA 1.077 62.340 61.300 -0.061 0.000 1.347 149 I CB -0.254 37.669 38.000 -0.129 0.000 1.044 149 I HN 0.219 nan 8.210 nan 0.000 0.408 150 H N 2.230 121.311 119.070 0.019 0.000 3.216 150 H HA -0.050 4.505 4.556 -0.000 0.000 0.283 150 H C 0.115 175.438 175.328 -0.009 0.000 0.921 150 H CA 0.467 56.515 56.048 0.000 0.000 1.419 150 H CB -0.154 29.620 29.762 0.021 0.000 1.460 150 H HN 0.457 nan 8.280 nan 0.000 0.553 151 D N 1.928 122.373 120.400 0.074 0.000 2.370 151 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 151 D C 0.019 176.269 176.300 -0.084 0.000 1.143 151 D CA -0.283 53.722 54.000 0.007 0.000 0.834 151 D CB 0.398 41.192 40.800 -0.010 0.000 0.944 151 D HN 0.259 nan 8.370 nan 0.000 0.504 152 R N 0.184 120.605 120.500 -0.131 0.000 2.585 152 R HA 0.467 4.807 4.340 -0.000 0.000 0.288 152 R C -1.448 174.774 176.300 -0.130 0.000 1.194 152 R CA -0.408 55.483 56.100 -0.349 0.000 1.006 152 R CB 1.729 31.521 30.300 -0.846 0.000 1.229 152 R HN 0.247 nan 8.270 nan 0.000 0.412 153 S N 0.328 116.081 115.700 0.089 0.000 2.615 153 S HA 0.107 4.577 4.470 -0.000 0.000 0.269 153 S C 0.391 174.991 174.600 0.000 0.000 1.161 153 S CA -1.014 57.197 58.200 0.018 0.000 0.817 153 S CB 1.715 64.945 63.200 0.051 0.000 1.131 153 S HN 0.543 nan 8.310 nan 0.000 0.467 154 Q N -0.017 119.562 119.800 -0.369 0.000 2.482 154 Q HA -0.002 4.338 4.340 -0.000 0.000 0.209 154 Q C -0.445 175.360 176.000 -0.325 0.000 0.961 154 Q CA 0.868 56.464 55.803 -0.345 0.000 0.945 154 Q CB -0.801 27.736 28.738 -0.334 0.000 1.012 154 Q HN 0.845 nan 8.270 nan 0.000 0.515 155 Y N 1.031 121.381 120.300 0.083 0.000 2.811 155 Y HA 0.454 5.004 4.550 -0.000 0.000 0.330 155 Y C 0.083 176.013 175.900 0.050 0.000 1.081 155 Y CA -0.591 57.536 58.100 0.044 0.000 1.408 155 Y CB 0.222 38.700 38.460 0.029 0.000 1.235 155 Y HN -0.064 nan 8.280 nan 0.000 0.529 156 R N 1.083 121.669 120.500 0.142 0.000 2.621 156 R HA 0.436 4.776 4.340 -0.000 0.000 0.292 156 R C -1.256 175.085 176.300 0.069 0.000 0.969 156 R CA -0.659 55.517 56.100 0.126 0.000 0.887 156 R CB 2.062 32.473 30.300 0.184 0.000 1.180 156 R HN 0.173 nan 8.270 nan 0.000 0.450 157 D N 2.096 122.522 120.400 0.044 0.000 2.581 157 D HA 0.197 4.837 4.640 -0.000 0.000 0.232 157 D C -0.985 175.324 176.300 0.016 0.000 1.143 157 D CA -0.828 53.173 54.000 0.003 0.000 0.881 157 D CB 2.309 43.094 40.800 -0.025 0.000 1.500 157 D HN 0.121 nan 8.370 nan 0.000 0.458 158 L N 1.590 122.811 121.223 -0.004 0.000 2.265 158 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 158 L C -0.460 176.413 176.870 0.004 0.000 1.058 158 L CA -0.240 54.622 54.840 0.036 0.000 0.809 158 L CB 0.115 42.201 42.059 0.046 0.000 1.179 158 L HN 0.376 nan 8.230 nan 0.000 0.429 159 I N 2.091 122.682 120.570 0.036 0.000 2.603 159 I HA 0.837 5.007 4.170 -0.000 0.000 0.300 159 I C -0.212 175.900 176.117 -0.008 0.000 1.017 159 I CA -0.503 60.801 61.300 0.007 0.000 1.098 159 I CB 2.112 40.120 38.000 0.014 0.000 1.279 159 I HN 0.668 nan 8.210 nan 0.000 0.437 160 S N 3.370 118.964 115.700 -0.177 0.000 2.648 160 S HA 0.881 5.351 4.470 -0.000 0.000 0.305 160 S C -1.169 173.392 174.600 -0.066 0.000 1.094 160 S CA -0.608 57.251 58.200 -0.568 0.000 0.983 160 S CB 1.507 63.992 63.200 -1.191 0.000 1.101 160 S HN 1.058 nan 8.310 nan 0.000 0.514 161 W N -1.846 119.181 121.300 -0.455 0.000 3.153 161 W HA 0.622 5.282 4.660 -0.000 0.000 0.316 161 W C -3.703 172.628 176.519 -0.314 0.000 1.255 161 W CA -2.119 55.048 57.345 -0.296 0.000 1.192 161 W CB -0.265 29.078 29.460 -0.195 0.000 1.400 161 W HN 0.480 nan 8.180 nan 0.000 0.568 162 P HA -0.074 nan 4.420 nan 0.000 0.260 162 P C 0.067 177.131 177.300 -0.392 0.000 1.172 162 P CA 0.352 63.350 63.100 -0.170 0.000 0.760 162 P CB 0.296 31.962 31.700 -0.056 0.000 0.773 163 L N 4.407 125.288 121.223 -0.570 0.000 2.700 163 L HA -0.122 4.218 4.340 -0.000 0.000 0.276 163 L C 0.583 177.048 176.870 -0.676 0.000 1.200 163 L CA 1.495 55.791 54.840 -0.906 0.000 0.951 163 L CB -1.036 40.656 42.059 -0.611 0.000 1.226 163 L HN 0.621 nan 8.230 nan 0.000 0.489 164 S N 0.898 116.044 115.700 -0.923 0.000 2.857 164 S HA -0.199 4.271 4.470 -0.000 0.000 0.268 164 S C 0.503 175.161 174.600 0.098 0.000 1.297 164 S CA 1.105 59.217 58.200 -0.147 0.000 1.280 164 S CB -2.311 60.834 63.200 -0.090 0.000 1.562 164 S HN 1.146 nan 8.310 nan 0.000 0.661 165 S N 2.261 118.021 115.700 0.100 0.000 2.652 165 S HA 0.691 5.161 4.470 -0.000 0.000 0.270 165 S C -2.429 172.340 174.600 0.282 0.000 1.243 165 S CA -1.361 56.936 58.200 0.162 0.000 0.999 165 S CB 1.080 64.334 63.200 0.089 0.000 0.973 165 S HN 0.237 nan 8.310 nan 0.000 0.544 166 P HA 0.335 nan 4.420 nan 0.000 0.281 166 P C -2.819 174.130 177.300 -0.586 0.000 1.249 166 P CA -2.296 60.731 63.100 -0.122 0.000 0.810 166 P CB 0.121 31.774 31.700 -0.079 0.000 1.008 167 P HA 0.002 nan 4.420 nan 0.000 0.266 167 P C 0.479 177.389 177.300 -0.650 0.000 1.419 167 P CA 0.449 62.741 63.100 -1.347 0.000 1.112 167 P CB -0.146 30.587 31.700 -1.612 0.000 1.438 168 T N 0.973 115.251 114.554 -0.461 0.000 3.160 168 T HA 0.076 4.426 4.350 -0.000 0.000 0.251 168 T C 0.926 175.418 174.700 -0.347 0.000 1.088 168 T CA 0.029 61.934 62.100 -0.324 0.000 1.119 168 T CB -0.678 68.087 68.868 -0.171 0.000 2.590 168 T HN 0.186 nan 8.240 nan 0.000 0.482 169 Y N 2.534 122.770 120.300 -0.106 0.000 4.766 169 Y HA -0.284 4.266 4.550 -0.000 0.000 0.231 169 Y C 1.750 177.598 175.900 -0.087 0.000 0.949 169 Y CA 1.676 59.724 58.100 -0.086 0.000 2.009 169 Y CB -1.926 36.489 38.460 -0.074 0.000 1.517 169 Y HN 0.815 nan 8.280 nan 0.000 0.530 170 N N -2.117 116.571 118.700 -0.019 0.000 2.168 170 N HA 0.101 4.841 4.740 -0.000 0.000 0.216 170 N C 0.064 175.538 175.510 -0.060 0.000 1.259 170 N CA 0.517 53.550 53.050 -0.028 0.000 0.902 170 N CB -0.077 38.397 38.487 -0.023 0.000 1.079 170 N HN 0.106 nan 8.380 nan 0.000 0.507 171 S N 0.807 116.435 115.700 -0.121 0.000 2.600 171 S HA 0.229 4.699 4.470 -0.000 0.000 0.265 171 S C 0.058 174.610 174.600 -0.081 0.000 1.325 171 S CA -0.471 57.664 58.200 -0.108 0.000 1.002 171 S CB 1.133 64.216 63.200 -0.194 0.000 0.921 171 S HN 0.366 nan 8.310 nan 0.000 0.554 172 R N 1.602 122.057 120.500 -0.074 0.000 2.521 172 R HA 0.338 4.678 4.340 -0.000 0.000 0.295 172 R C -1.434 174.800 176.300 -0.110 0.000 1.183 172 R CA -0.352 55.693 56.100 -0.092 0.000 0.957 172 R CB 0.593 30.833 30.300 -0.100 0.000 1.171 172 R HN 0.485 nan 8.270 nan 0.000 0.494 173 V N 4.160 124.007 119.914 -0.111 0.000 2.814 173 V HA -0.062 4.058 4.120 -0.000 0.000 0.307 173 V C 1.134 177.117 176.094 -0.185 0.000 1.089 173 V CA 0.768 62.991 62.300 -0.129 0.000 1.212 173 V CB 1.220 32.971 31.823 -0.120 0.000 0.912 173 V HN 0.828 nan 8.190 nan 0.000 0.497 174 E N 1.413 121.486 120.200 -0.212 0.000 2.391 174 E HA 0.202 4.552 4.350 -0.000 0.000 0.206 174 E C 0.093 176.341 176.600 -0.587 0.000 0.851 174 E CA 0.870 57.089 56.400 -0.302 0.000 1.059 174 E CB 1.113 30.734 29.700 -0.131 0.000 1.065 174 E HN 0.959 nan 8.360 nan 0.000 0.512 175 c N -0.953 117.376 118.600 -0.452 0.000 3.034 175 c HA 0.492 5.062 4.570 -0.000 0.000 0.336 175 c C -1.215 172.767 174.090 -0.180 0.000 1.304 175 c CA -1.346 54.692 56.329 -0.484 0.000 1.197 175 c CB 0.389 42.544 42.510 -0.592 0.000 1.373 175 c HN -0.015 nan 8.230 nan 0.000 0.459 176 I N 2.134 122.663 120.570 -0.067 0.000 2.412 176 I HA 0.868 5.038 4.170 -0.000 0.000 0.296 176 I C 0.773 176.824 176.117 -0.110 0.000 0.987 176 I CA 0.889 62.156 61.300 -0.056 0.000 1.180 176 I CB 0.651 38.638 38.000 -0.021 0.000 1.340 176 I HN 1.599 nan 8.210 nan 0.000 0.455 177 G N 5.574 114.281 108.800 -0.154 0.000 2.352 177 G HA2 0.091 4.050 3.960 -0.000 0.000 0.302 177 G HA3 0.091 4.050 3.960 -0.000 0.000 0.302 177 G C -1.116 173.690 174.900 -0.156 0.000 1.370 177 G CA -0.723 44.159 45.100 -0.364 0.000 0.918 177 G HN 0.700 nan 8.290 nan 0.000 0.610 178 W N 0.116 121.431 121.300 0.024 0.000 2.693 178 W HA 0.648 5.308 4.660 -0.000 0.000 0.415 178 W C 0.037 176.584 176.519 0.046 0.000 0.932 178 W CA -0.177 57.188 57.345 0.033 0.000 2.200 178 W CB 0.449 29.920 29.460 0.018 0.000 1.188 178 W HN 0.912 nan 8.180 nan 0.000 0.665 179 S N 1.570 117.474 115.700 0.341 0.000 2.563 179 S HA 0.517 4.987 4.470 -0.000 0.000 0.279 179 S C -0.504 174.158 174.600 0.104 0.000 1.155 179 S CA 0.067 58.435 58.200 0.279 0.000 0.928 179 S CB 1.245 64.684 63.200 0.398 0.000 1.107 179 S HN 0.279 nan 8.310 nan 0.000 0.462 180 S N 2.550 118.299 115.700 0.081 0.000 2.973 180 S HA 0.940 5.410 4.470 -0.000 0.000 0.317 180 S C -0.448 174.110 174.600 -0.070 0.000 1.196 180 S CA -0.220 57.999 58.200 0.033 0.000 0.894 180 S CB 1.457 64.736 63.200 0.133 0.000 1.292 180 S HN 1.290 nan 8.310 nan 0.000 0.614 181 T N -0.351 114.171 114.554 -0.054 0.000 2.913 181 T HA 0.566 4.916 4.350 -0.000 0.000 0.341 181 T C -2.194 172.477 174.700 -0.049 0.000 1.855 181 T CA 0.198 62.191 62.100 -0.179 0.000 1.049 181 T CB 0.852 69.582 68.868 -0.229 0.000 1.769 181 T HN 1.664 nan 8.240 nan 0.000 0.511 182 S N 0.919 116.585 115.700 -0.057 0.000 2.560 182 S HA 0.685 5.155 4.470 -0.000 0.000 0.283 182 S C -1.045 173.544 174.600 -0.018 0.000 1.141 182 S CA -0.269 57.908 58.200 -0.038 0.000 0.902 182 S CB 0.078 63.212 63.200 -0.110 0.000 1.104 182 S HN 1.323 nan 8.310 nan 0.000 0.454 183 c N 3.271 121.903 118.600 0.054 0.000 2.994 183 c HA 0.766 5.336 4.570 -0.000 0.000 0.304 183 c C -0.828 173.393 174.090 0.219 0.000 1.273 183 c CA -0.876 55.540 56.329 0.145 0.000 1.537 183 c CB 1.308 43.907 42.510 0.149 0.000 2.001 183 c HN 0.986 nan 8.230 nan 0.000 0.471 184 H N 1.495 120.712 119.070 0.245 0.000 2.539 184 H HA 0.291 4.846 4.556 -0.000 0.000 0.332 184 H C -0.165 175.402 175.328 0.398 0.000 1.031 184 H CA 0.096 56.284 56.048 0.233 0.000 1.206 184 H CB 1.752 31.563 29.762 0.081 0.000 1.446 184 H HN 0.958 nan 8.280 nan 0.000 0.496 185 D N 2.694 123.265 120.400 0.285 0.000 2.363 185 D HA 0.091 4.730 4.640 -0.000 0.000 0.220 185 D C 1.438 178.121 176.300 0.639 0.000 0.994 185 D CA 0.952 55.230 54.000 0.462 0.000 0.890 185 D CB 0.618 41.686 40.800 0.446 0.000 0.906 185 D HN 0.827 nan 8.370 nan 0.000 0.530 186 G N 0.134 109.335 108.800 0.667 0.000 3.426 186 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.196 186 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.196 186 G C 1.351 176.475 174.900 0.373 0.000 1.763 186 G CA -0.022 45.430 45.100 0.587 0.000 1.210 186 G HN 0.209 nan 8.290 nan 0.000 0.472 187 R N 1.003 121.598 120.500 0.159 0.000 2.056 187 R HA 0.526 4.866 4.340 -0.000 0.000 0.227 187 R C 1.323 177.579 176.300 -0.073 0.000 1.149 187 R CA 1.624 57.738 56.100 0.022 0.000 0.937 187 R CB -0.155 30.092 30.300 -0.088 0.000 0.835 187 R HN 0.761 nan 8.270 nan 0.000 0.430 188 A N 0.232 122.839 122.820 -0.355 0.000 2.530 188 A HA 0.555 4.875 4.320 -0.000 0.000 0.288 188 A C -1.118 175.869 177.584 -0.995 0.000 1.172 188 A CA -0.761 50.850 52.037 -0.710 0.000 0.733 188 A CB 1.274 19.898 19.000 -0.625 0.000 1.320 188 A HN 0.225 nan 8.150 nan 0.000 0.419 189 R N -0.042 120.076 120.500 -0.636 0.000 2.531 189 R HA 0.654 4.994 4.340 -0.000 0.000 0.273 189 R C -0.397 175.792 176.300 -0.184 0.000 1.070 189 R CA -0.184 55.759 56.100 -0.261 0.000 1.112 189 R CB 0.696 30.994 30.300 -0.003 0.000 1.049 189 R HN 0.790 nan 8.270 nan 0.000 0.508 190 M N 2.715 122.331 119.600 0.026 0.000 2.197 190 M HA 0.362 4.842 4.480 -0.000 0.000 0.301 190 M C -1.603 174.739 176.300 0.070 0.000 0.987 190 M CA -0.225 55.153 55.300 0.128 0.000 0.921 190 M CB 2.046 34.758 32.600 0.188 0.000 1.569 190 M HN 0.649 nan 8.290 nan 0.000 0.431 191 S N 5.436 121.190 115.700 0.090 0.000 2.513 191 S HA 0.741 5.211 4.470 -0.000 0.000 0.299 191 S C -0.871 173.776 174.600 0.078 0.000 1.087 191 S CA -0.673 57.559 58.200 0.054 0.000 1.012 191 S CB 1.684 64.891 63.200 0.013 0.000 1.044 191 S HN 0.710 nan 8.310 nan 0.000 0.485 192 I N 1.655 122.243 120.570 0.030 0.000 2.466 192 I HA 0.451 4.620 4.170 -0.000 0.000 0.289 192 I C -1.033 175.104 176.117 0.033 0.000 1.026 192 I CA -0.427 60.896 61.300 0.038 0.000 1.078 192 I CB 1.701 39.684 38.000 -0.029 0.000 1.249 192 I HN 0.514 nan 8.210 nan 0.000 0.429 193 c N 6.682 125.313 118.600 0.051 0.000 2.498 193 c HA 0.623 5.193 4.570 -0.000 0.000 0.316 193 c C -0.096 173.930 174.090 -0.107 0.000 1.209 193 c CA -0.610 55.703 56.329 -0.027 0.000 1.518 193 c CB 1.317 43.806 42.510 -0.034 0.000 2.147 193 c HN 0.530 nan 8.230 nan 0.000 0.483 194 I N 3.359 123.777 120.570 -0.254 0.000 2.404 194 I HA 0.605 4.775 4.170 -0.000 0.000 0.293 194 I C 0.352 175.784 176.117 -1.142 0.000 0.992 194 I CA 0.485 61.497 61.300 -0.481 0.000 1.149 194 I CB 1.551 39.363 38.000 -0.313 0.000 1.315 194 I HN 0.808 nan 8.210 nan 0.000 0.446 195 S N 4.078 119.176 115.700 -1.005 0.000 2.720 195 S HA 1.017 5.487 4.470 -0.000 0.000 0.287 195 S C -0.348 173.969 174.600 -0.472 0.000 1.168 195 S CA -0.132 57.373 58.200 -1.158 0.000 0.832 195 S CB 2.033 64.890 63.200 -0.571 0.000 1.166 195 S HN 1.381 nan 8.310 nan 0.000 0.493 196 G N 0.336 109.105 108.800 -0.051 0.000 2.434 196 G HA2 0.205 4.164 3.960 -0.000 0.000 0.671 196 G HA3 0.205 4.164 3.960 -0.000 0.000 0.671 196 G C -3.473 171.621 174.900 0.323 0.000 1.280 196 G CA -0.340 44.834 45.100 0.124 0.000 0.975 196 G HN 0.816 nan 8.290 nan 0.000 0.510 197 P HA 0.339 nan 4.420 nan 0.000 0.281 197 P C 0.525 177.887 177.300 0.103 0.000 1.264 197 P CA -0.556 62.612 63.100 0.114 0.000 0.824 197 P CB 0.873 32.600 31.700 0.045 0.000 1.092 198 N N 1.340 120.048 118.700 0.013 0.000 2.091 198 N HA -0.226 4.514 4.740 -0.000 0.000 0.193 198 N C 1.183 176.686 175.510 -0.011 0.000 1.021 198 N CA 2.080 55.114 53.050 -0.026 0.000 0.862 198 N CB -0.971 37.469 38.487 -0.078 0.000 1.018 198 N HN 0.580 nan 8.380 nan 0.000 0.429 199 N N -1.308 117.386 118.700 -0.011 0.000 2.353 199 N HA 0.037 4.777 4.740 -0.000 0.000 0.185 199 N C -0.112 175.391 175.510 -0.012 0.000 1.098 199 N CA 0.385 53.425 53.050 -0.018 0.000 0.872 199 N CB 0.097 38.574 38.487 -0.017 0.000 0.970 199 N HN 0.014 nan 8.380 nan 0.000 0.467 200 N N -0.035 118.669 118.700 0.007 0.000 2.571 200 N HA 0.336 5.076 4.740 -0.000 0.000 0.298 200 N C -1.177 174.339 175.510 0.009 0.000 1.671 200 N CA -0.179 52.872 53.050 0.002 0.000 0.900 200 N CB 0.951 39.440 38.487 0.004 0.000 1.365 200 N HN 0.335 nan 8.380 nan 0.000 0.493 201 A N 0.249 123.080 122.820 0.018 0.000 2.304 201 A HA 0.727 5.047 4.320 -0.000 0.000 0.271 201 A C 0.224 177.758 177.584 -0.082 0.000 1.091 201 A CA -0.109 51.935 52.037 0.012 0.000 0.812 201 A CB 0.438 19.525 19.000 0.145 0.000 1.056 201 A HN 0.258 nan 8.150 nan 0.000 0.489 202 S N -0.666 114.957 115.700 -0.128 0.000 2.595 202 S HA 0.789 5.259 4.470 -0.000 0.000 0.281 202 S C -0.622 173.883 174.600 -0.160 0.000 1.117 202 S CA -0.172 57.948 58.200 -0.134 0.000 0.873 202 S CB 1.846 64.986 63.200 -0.099 0.000 1.108 202 S HN 1.787 nan 8.310 nan 0.000 0.477 203 A N 1.477 124.224 122.820 -0.122 0.000 2.310 203 A HA 0.699 5.019 4.320 -0.000 0.000 0.304 203 A C -0.746 176.813 177.584 -0.042 0.000 1.231 203 A CA -0.720 51.279 52.037 -0.062 0.000 0.799 203 A CB 0.502 19.509 19.000 0.012 0.000 1.162 203 A HN 0.771 nan 8.150 nan 0.000 0.486 204 V N 3.961 123.866 119.914 -0.014 0.000 2.383 204 V HA 0.280 4.400 4.120 -0.000 0.000 0.275 204 V C -0.395 175.724 176.094 0.041 0.000 1.036 204 V CA -0.208 62.075 62.300 -0.027 0.000 0.889 204 V CB 1.001 32.795 31.823 -0.049 0.000 0.985 204 V HN 0.704 nan 8.190 nan 0.000 0.459 205 I N 5.053 125.598 120.570 -0.041 0.000 2.301 205 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 205 I C -0.324 175.804 176.117 0.018 0.000 1.046 205 I CA 0.101 61.380 61.300 -0.035 0.000 1.282 205 I CB 0.460 38.318 38.000 -0.236 0.000 1.409 205 I HN 0.515 nan 8.210 nan 0.000 0.484 206 W N 6.760 128.037 121.300 -0.038 0.000 2.376 206 W HA 0.411 5.071 4.660 -0.000 0.000 0.322 206 W C -0.496 176.067 176.519 0.072 0.000 1.160 206 W CA -0.411 56.942 57.345 0.013 0.000 1.218 206 W CB 0.545 30.004 29.460 -0.002 0.000 1.205 206 W HN 0.331 nan 8.180 nan 0.000 0.559 207 Y N 4.156 124.562 120.300 0.178 0.000 2.333 207 Y HA 0.262 4.812 4.550 -0.000 0.000 0.324 207 Y C 0.124 176.097 175.900 0.121 0.000 1.033 207 Y CA -1.403 56.763 58.100 0.109 0.000 1.224 207 Y CB 0.612 39.110 38.460 0.065 0.000 1.120 207 Y HN 0.601 nan 8.280 nan 0.000 0.457 208 N N 3.811 122.332 118.700 -0.298 0.000 2.806 208 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 208 N C 0.113 175.640 175.510 0.029 0.000 1.081 208 N CA 1.159 54.079 53.050 -0.218 0.000 0.680 208 N CB -0.663 37.663 38.487 -0.269 0.000 0.941 208 N HN 0.847 nan 8.380 nan 0.000 0.554 209 R N -2.054 118.515 120.500 0.115 0.000 3.994 209 R HA -0.194 4.146 4.340 -0.000 0.000 0.403 209 R C -0.568 176.051 176.300 0.532 0.000 1.126 209 R CA 1.899 58.127 56.100 0.214 0.000 1.143 209 R CB -1.321 29.033 30.300 0.090 0.000 1.695 209 R HN 0.680 nan 8.270 nan 0.000 0.555 210 R N 0.056 120.848 120.500 0.487 0.000 2.621 210 R HA 0.408 4.748 4.340 -0.000 0.000 0.292 210 R C -2.496 173.705 176.300 -0.165 0.000 0.969 210 R CA -2.020 54.206 56.100 0.210 0.000 0.887 210 R CB 2.267 32.618 30.300 0.085 0.000 1.180 210 R HN -0.100 nan 8.270 nan 0.000 0.450 211 P HA -0.004 nan 4.420 nan 0.000 0.275 211 P C -0.005 177.040 177.300 -0.423 0.000 1.227 211 P CA 0.058 62.505 63.100 -1.089 0.000 0.781 211 P CB 1.639 32.538 31.700 -1.334 0.000 0.906 212 V N 1.096 120.855 119.914 -0.258 0.000 3.332 212 V HA 0.293 4.413 4.120 -0.000 0.000 0.263 212 V C -0.083 175.969 176.094 -0.069 0.000 1.562 212 V CA 0.879 63.114 62.300 -0.108 0.000 1.040 212 V CB 0.567 32.384 31.823 -0.009 0.000 0.857 212 V HN 0.527 nan 8.190 nan 0.000 0.428 213 T N 1.047 115.555 114.554 -0.078 0.000 2.894 213 T HA 0.740 5.090 4.350 -0.000 0.000 0.309 213 T C -1.637 173.036 174.700 -0.046 0.000 1.208 213 T CA -0.254 61.837 62.100 -0.016 0.000 1.016 213 T CB 2.533 71.453 68.868 0.086 0.000 1.192 213 T HN 0.438 nan 8.240 nan 0.000 0.491 214 E N 1.050 121.236 120.200 -0.023 0.000 2.367 214 E HA 0.712 5.062 4.350 -0.000 0.000 0.273 214 E C -1.042 175.539 176.600 -0.031 0.000 0.903 214 E CA -0.634 55.739 56.400 -0.044 0.000 0.764 214 E CB 2.004 31.669 29.700 -0.057 0.000 1.252 214 E HN 0.485 nan 8.360 nan 0.000 0.446 215 I N 1.229 121.758 120.570 -0.070 0.000 2.534 215 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 215 I C -0.434 175.625 176.117 -0.097 0.000 1.094 215 I CA -0.828 60.416 61.300 -0.093 0.000 1.055 215 I CB 1.547 39.412 38.000 -0.225 0.000 1.225 215 I HN 0.353 nan 8.210 nan 0.000 0.435 216 N N 2.900 121.571 118.700 -0.049 0.000 2.467 216 N HA 0.120 4.860 4.740 -0.000 0.000 0.262 216 N C 0.051 175.535 175.510 -0.043 0.000 1.234 216 N CA 0.107 53.127 53.050 -0.049 0.000 0.952 216 N CB 1.421 39.895 38.487 -0.022 0.000 1.158 216 N HN 0.621 nan 8.380 nan 0.000 0.463 217 T N 1.095 115.589 114.554 -0.100 0.000 2.934 217 T HA -0.064 4.286 4.350 -0.000 0.000 0.321 217 T C 1.023 175.717 174.700 -0.009 0.000 1.080 217 T CA 0.471 62.460 62.100 -0.185 0.000 1.132 217 T CB 0.092 68.865 68.868 -0.158 0.000 1.039 217 T HN 0.658 nan 8.240 nan 0.000 0.543 218 W N 2.959 124.199 121.300 -0.099 0.000 2.792 218 W HA 0.584 5.244 4.660 -0.000 0.000 0.262 218 W C 1.512 178.006 176.519 -0.042 0.000 1.212 218 W CA 0.213 57.506 57.345 -0.087 0.000 1.433 218 W CB -0.171 29.205 29.460 -0.139 0.000 1.004 218 W HN 0.649 nan 8.180 nan 0.000 0.608 219 A N 0.941 123.774 122.820 0.021 0.000 2.470 219 A HA 0.370 4.690 4.320 -0.000 0.000 0.251 219 A C 1.030 178.589 177.584 -0.042 0.000 1.245 219 A CA -0.381 51.679 52.037 0.039 0.000 0.932 219 A CB -0.433 18.605 19.000 0.063 0.000 1.037 219 A HN 0.202 nan 8.150 nan 0.000 0.522 220 R N -0.160 120.288 120.500 -0.087 0.000 3.322 220 R HA -0.191 4.149 4.340 -0.000 0.000 0.253 220 R C -0.651 175.607 176.300 -0.070 0.000 0.987 220 R CA 0.922 56.980 56.100 -0.070 0.000 0.666 220 R CB -2.278 28.005 30.300 -0.028 0.000 1.072 220 R HN 0.469 nan 8.270 nan 0.000 0.447 221 N N 0.548 119.184 118.700 -0.106 0.000 2.839 221 N HA 0.186 4.926 4.740 -0.000 0.000 0.230 221 N C -0.341 175.113 175.510 -0.093 0.000 1.388 221 N CA -0.484 52.517 53.050 -0.081 0.000 0.747 221 N CB 0.439 38.890 38.487 -0.060 0.000 1.411 221 N HN 0.350 nan 8.380 nan 0.000 0.556 222 I N 0.828 121.355 120.570 -0.071 0.000 6.992 222 I HA -0.318 3.852 4.170 -0.000 0.000 0.126 222 I C -0.148 175.959 176.117 -0.017 0.000 1.809 222 I CA 0.064 61.338 61.300 -0.044 0.000 2.121 222 I CB -0.666 37.273 38.000 -0.102 0.000 3.531 222 I HN 0.396 nan 8.210 nan 0.000 0.194 223 L N 5.210 126.397 121.223 -0.061 0.000 2.700 223 L HA 0.065 4.405 4.340 -0.000 0.000 0.272 223 L C 1.002 177.927 176.870 0.092 0.000 1.176 223 L CA 1.031 55.758 54.840 -0.188 0.000 0.961 223 L CB 0.016 41.892 42.059 -0.306 0.000 1.249 223 L HN 0.462 nan 8.230 nan 0.000 0.487 224 R N 2.725 123.284 120.500 0.098 0.000 2.867 224 R HA 0.769 5.109 4.340 -0.000 0.000 0.268 224 R C -0.698 175.682 176.300 0.133 0.000 1.014 224 R CA -0.735 55.475 56.100 0.184 0.000 0.946 224 R CB 1.688 32.073 30.300 0.142 0.000 1.208 224 R HN 0.514 nan 8.270 nan 0.000 0.477 225 T N -1.235 113.337 114.554 0.030 0.000 2.551 225 T HA 0.153 4.503 4.350 -0.000 0.000 0.249 225 T C 0.844 175.454 174.700 -0.149 0.000 0.851 225 T CA -0.328 61.654 62.100 -0.197 0.000 1.149 225 T CB 1.226 69.747 68.868 -0.578 0.000 1.456 225 T HN 0.654 nan 8.240 nan 0.000 0.514 226 Q N 0.122 119.781 119.800 -0.235 0.000 2.045 226 Q HA -0.102 4.238 4.340 -0.000 0.000 0.206 226 Q C -0.128 175.782 176.000 -0.151 0.000 0.991 226 Q CA 1.850 57.541 55.803 -0.187 0.000 0.851 226 Q CB -0.013 28.587 28.738 -0.230 0.000 0.911 226 Q HN 0.623 nan 8.270 nan 0.000 0.418 227 E N -0.629 119.462 120.200 -0.182 0.000 3.303 227 E HA -0.140 4.210 4.350 -0.000 0.000 0.302 227 E C -0.654 175.703 176.600 -0.405 0.000 0.902 227 E CA 1.026 57.350 56.400 -0.127 0.000 1.042 227 E CB -2.082 27.681 29.700 0.105 0.000 1.528 227 E HN 0.407 nan 8.360 nan 0.000 0.424 228 S N -1.266 113.972 115.700 -0.771 0.000 2.578 228 S HA 0.305 4.775 4.470 -0.000 0.000 0.272 228 S C -0.481 173.658 174.600 -0.769 0.000 1.145 228 S CA -0.605 57.012 58.200 -0.972 0.000 0.835 228 S CB 2.360 65.447 63.200 -0.189 0.000 1.104 228 S HN 0.207 nan 8.310 nan 0.000 0.458 229 E N 0.643 120.534 120.200 -0.515 0.000 2.565 229 E HA 0.087 4.437 4.350 -0.000 0.000 0.268 229 E C 0.235 176.782 176.600 -0.087 0.000 1.000 229 E CA 0.330 56.642 56.400 -0.146 0.000 0.964 229 E CB 0.030 29.774 29.700 0.073 0.000 0.955 229 E HN 0.809 nan 8.360 nan 0.000 0.459 230 c N 1.936 120.510 118.600 -0.043 0.000 2.345 230 c HA 0.809 5.379 4.570 -0.000 0.000 0.370 230 c C 0.137 174.256 174.090 0.049 0.000 1.209 230 c CA -1.038 55.284 56.329 -0.011 0.000 2.133 230 c CB 0.611 43.114 42.510 -0.011 0.000 2.293 230 c HN 0.455 nan 8.230 nan 0.000 0.544 231 V N 0.152 120.094 119.914 0.047 0.000 2.715 231 V HA 0.627 4.747 4.120 -0.000 0.000 0.310 231 V C -0.196 175.944 176.094 0.076 0.000 1.054 231 V CA -0.160 62.176 62.300 0.059 0.000 0.928 231 V CB 1.548 33.391 31.823 0.033 0.000 1.007 231 V HN 1.190 nan 8.190 nan 0.000 0.437 232 c N 3.020 121.675 118.600 0.092 0.000 2.626 232 c HA 0.788 5.358 4.570 -0.000 0.000 0.310 232 c C -0.405 173.737 174.090 0.086 0.000 1.191 232 c CA -0.737 55.656 56.329 0.106 0.000 1.517 232 c CB 1.361 43.966 42.510 0.157 0.000 2.102 232 c HN 0.921 nan 8.230 nan 0.000 0.479 233 Q N 1.921 121.764 119.800 0.072 0.000 2.292 233 Q HA 0.425 4.765 4.340 -0.000 0.000 0.270 233 Q C 0.045 176.071 176.000 0.043 0.000 1.024 233 Q CA 0.051 55.894 55.803 0.068 0.000 0.768 233 Q CB 0.666 29.442 28.738 0.063 0.000 1.250 233 Q HN 0.656 nan 8.270 nan 0.000 0.447 234 N N 3.263 122.014 118.700 0.085 0.000 2.696 234 N HA -0.272 4.468 4.740 -0.000 0.000 0.249 234 N C 0.504 175.896 175.510 -0.196 0.000 1.090 234 N CA 2.471 55.568 53.050 0.078 0.000 0.716 234 N CB -1.127 37.403 38.487 0.072 0.000 1.020 234 N HN 1.310 nan 8.380 nan 0.000 0.548 235 G N -3.606 104.958 108.800 -0.394 0.000 2.238 235 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 235 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 235 G C -0.123 174.545 174.900 -0.386 0.000 0.996 235 G CA 0.016 44.523 45.100 -0.989 0.000 0.632 235 G HN 0.707 nan 8.290 nan 0.000 0.503 236 V N 1.270 121.096 119.914 -0.146 0.000 2.394 236 V HA 0.528 4.648 4.120 -0.000 0.000 0.282 236 V C 0.337 176.486 176.094 0.092 0.000 1.031 236 V CA -0.443 61.861 62.300 0.007 0.000 0.881 236 V CB 1.527 33.375 31.823 0.042 0.000 0.982 236 V HN 0.451 nan 8.190 nan 0.000 0.451 237 c N 7.653 126.348 118.600 0.158 0.000 2.301 237 c HA 0.414 4.984 4.570 -0.000 0.000 0.313 237 c C -2.092 172.098 174.090 0.166 0.000 1.121 237 c CA -1.464 54.967 56.329 0.170 0.000 1.507 237 c CB 0.252 42.882 42.510 0.200 0.000 1.975 237 c HN 0.641 nan 8.230 nan 0.000 0.425 238 P HA 0.278 nan 4.420 nan 0.000 0.271 238 P C -0.491 176.774 177.300 -0.058 0.000 1.218 238 P CA 0.533 63.549 63.100 -0.140 0.000 0.780 238 P CB 1.447 33.037 31.700 -0.183 0.000 0.901 239 V N 3.066 122.940 119.914 -0.066 0.000 2.969 239 V HA 0.397 4.517 4.120 -0.000 0.000 0.304 239 V C -1.319 174.774 176.094 -0.002 0.000 1.192 239 V CA -0.815 61.480 62.300 -0.008 0.000 0.962 239 V CB 2.420 34.291 31.823 0.081 0.000 1.045 239 V HN 0.206 nan 8.190 nan 0.000 0.428 240 V N 6.816 126.668 119.914 -0.102 0.000 2.394 240 V HA 0.650 4.770 4.120 -0.000 0.000 0.282 240 V C -0.412 175.639 176.094 -0.072 0.000 1.031 240 V CA -0.165 62.121 62.300 -0.023 0.000 0.881 240 V CB 1.123 32.910 31.823 -0.061 0.000 0.982 240 V HN 0.778 nan 8.190 nan 0.000 0.451 241 F N 1.411 121.456 119.950 0.159 0.000 2.618 241 F HA 0.793 5.320 4.527 -0.000 0.000 0.332 241 F C 0.420 176.356 175.800 0.227 0.000 1.061 241 F CA -0.606 57.512 58.000 0.196 0.000 0.974 241 F CB 2.533 41.752 39.000 0.365 0.000 1.310 241 F HN 0.316 nan 8.300 nan 0.000 0.491 242 T N 0.534 115.298 114.554 0.351 0.000 3.032 242 T HA 0.349 4.699 4.350 -0.000 0.000 0.312 242 T C -2.112 172.595 174.700 0.011 0.000 1.078 242 T CA -0.677 61.551 62.100 0.212 0.000 1.028 242 T CB 1.820 70.727 68.868 0.065 0.000 1.091 242 T HN 0.439 nan 8.240 nan 0.000 0.457 243 D N 1.086 121.466 120.400 -0.034 0.000 2.686 243 D HA 0.707 5.346 4.640 -0.000 0.000 0.249 243 D C 0.186 176.434 176.300 -0.086 0.000 1.260 243 D CA 0.400 54.208 54.000 -0.321 0.000 0.910 243 D CB 1.243 41.351 40.800 -1.154 0.000 1.323 243 D HN 0.940 nan 8.370 nan 0.000 0.561 244 G N 1.343 110.105 108.800 -0.063 0.000 2.334 244 G HA2 0.201 4.160 3.960 -0.000 0.000 0.249 244 G HA3 0.201 4.160 3.960 -0.000 0.000 0.249 244 G C -0.961 173.940 174.900 0.003 0.000 1.327 244 G CA -0.251 44.843 45.100 -0.009 0.000 0.979 244 G HN 0.476 nan 8.290 nan 0.000 0.471 245 S N -0.073 115.632 115.700 0.008 0.000 2.562 245 S HA 0.514 4.984 4.470 -0.000 0.000 0.281 245 S C 1.230 175.885 174.600 0.090 0.000 1.333 245 S CA 0.974 59.169 58.200 -0.009 0.000 1.052 245 S CB 0.984 64.126 63.200 -0.097 0.000 0.884 245 S HN 1.973 nan 8.310 nan 0.000 0.506 246 A N 3.592 126.443 122.820 0.052 0.000 2.423 246 A HA 0.395 4.715 4.320 -0.000 0.000 0.246 246 A C 0.723 178.294 177.584 -0.022 0.000 1.278 246 A CA -0.151 51.952 52.037 0.110 0.000 0.903 246 A CB 0.090 19.131 19.000 0.069 0.000 0.997 246 A HN 0.770 nan 8.150 nan 0.000 0.510 247 T N -0.700 113.779 114.554 -0.124 0.000 4.041 247 T HA 0.484 4.834 4.350 -0.000 0.000 0.316 247 T C -0.001 174.394 174.700 -0.508 0.000 0.919 247 T CA 0.337 62.324 62.100 -0.188 0.000 0.994 247 T CB 0.312 69.131 68.868 -0.082 0.000 1.154 247 T HN 0.970 nan 8.240 nan 0.000 0.475 248 G N 2.050 110.365 108.800 -0.808 0.000 2.368 248 G HA2 0.571 4.531 3.960 -0.000 0.000 0.293 248 G HA3 0.571 4.531 3.960 -0.000 0.000 0.293 248 G C -3.329 170.990 174.900 -0.968 0.000 1.467 248 G CA -0.944 43.305 45.100 -1.418 0.000 0.804 248 G HN -0.091 nan 8.290 nan 0.000 0.535 249 P HA 0.395 nan 4.420 nan 0.000 0.267 249 P C 0.051 177.331 177.300 -0.033 0.000 1.201 249 P CA 0.802 63.770 63.100 -0.220 0.000 0.775 249 P CB 1.485 33.122 31.700 -0.104 0.000 0.854 250 A N 1.844 124.722 122.820 0.096 0.000 2.593 250 A HA 0.573 4.893 4.320 -0.000 0.000 0.304 250 A C -1.335 176.332 177.584 0.138 0.000 1.233 250 A CA -0.570 51.520 52.037 0.089 0.000 0.661 250 A CB 0.853 19.895 19.000 0.070 0.000 1.338 250 A HN 0.467 nan 8.150 nan 0.000 0.495 251 E N 0.819 121.143 120.200 0.207 0.000 2.186 251 E HA 0.481 4.831 4.350 -0.000 0.000 0.255 251 E C -0.792 176.060 176.600 0.419 0.000 0.881 251 E CA -0.372 56.209 56.400 0.301 0.000 0.752 251 E CB 1.745 31.676 29.700 0.384 0.000 1.176 251 E HN 0.680 nan 8.360 nan 0.000 0.421 252 T N 1.737 116.451 114.554 0.266 0.000 2.895 252 T HA 0.625 4.975 4.350 -0.000 0.000 0.283 252 T C -0.158 174.668 174.700 0.209 0.000 1.014 252 T CA -0.777 61.495 62.100 0.287 0.000 1.037 252 T CB 1.054 70.019 68.868 0.161 0.000 1.006 252 T HN 0.330 nan 8.240 nan 0.000 0.468 253 R N 1.955 122.607 120.500 0.253 0.000 2.795 253 R HA 0.611 4.951 4.340 -0.000 0.000 0.275 253 R C -1.269 175.152 176.300 0.203 0.000 0.981 253 R CA -1.013 55.174 56.100 0.144 0.000 0.917 253 R CB 1.725 31.968 30.300 -0.096 0.000 1.202 253 R HN 0.486 nan 8.270 nan 0.000 0.469 254 I N 2.738 123.325 120.570 0.029 0.000 2.337 254 I HA 0.223 4.393 4.170 -0.000 0.000 0.285 254 I C -0.843 175.164 176.117 -0.183 0.000 1.041 254 I CA -0.430 60.784 61.300 -0.145 0.000 1.199 254 I CB 0.297 38.046 38.000 -0.418 0.000 1.370 254 I HN 0.379 nan 8.210 nan 0.000 0.470 255 Y N 5.445 125.657 120.300 -0.146 0.000 2.299 255 Y HA 0.368 4.918 4.550 -0.000 0.000 0.326 255 Y C -0.517 175.062 175.900 -0.535 0.000 1.164 255 Y CA -0.024 57.919 58.100 -0.262 0.000 1.234 255 Y CB 0.833 39.151 38.460 -0.237 0.000 1.219 255 Y HN 0.354 nan 8.280 nan 0.000 0.497 256 Y N 3.706 123.821 120.300 -0.308 0.000 2.388 256 Y HA 0.392 4.942 4.550 -0.000 0.000 0.328 256 Y C -1.044 174.680 175.900 -0.294 0.000 0.963 256 Y CA -0.904 57.077 58.100 -0.198 0.000 1.240 256 Y CB 0.375 38.760 38.460 -0.125 0.000 1.118 256 Y HN 0.374 nan 8.280 nan 0.000 0.484 257 F N 2.245 122.315 119.950 0.199 0.000 2.432 257 F HA 0.608 5.135 4.527 -0.000 0.000 0.329 257 F C 0.060 175.882 175.800 0.036 0.000 1.076 257 F CA -1.129 56.946 58.000 0.125 0.000 1.018 257 F CB 1.621 40.696 39.000 0.124 0.000 1.201 257 F HN 0.154 nan 8.300 nan 0.000 0.489 258 K N 1.179 121.679 120.400 0.166 0.000 2.565 258 K HA 0.268 4.588 4.320 -0.000 0.000 0.249 258 K C -0.709 175.795 176.600 -0.160 0.000 0.958 258 K CA -0.429 55.836 56.287 -0.037 0.000 0.806 258 K CB 0.995 33.439 32.500 -0.093 0.000 1.194 258 K HN 0.746 nan 8.250 nan 0.000 0.434 259 E N 2.319 122.276 120.200 -0.403 0.000 2.494 259 E HA -0.306 4.044 4.350 -0.000 0.000 0.249 259 E C 0.598 176.632 176.600 -0.943 0.000 1.184 259 E CA 0.948 56.632 56.400 -1.193 0.000 0.727 259 E CB -1.315 28.032 29.700 -0.587 0.000 1.281 259 E HN 1.142 nan 8.360 nan 0.000 0.405 260 G N -0.602 107.968 108.800 -0.383 0.000 2.241 260 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.244 260 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.244 260 G C 0.260 175.223 174.900 0.106 0.000 0.998 260 G CA 0.433 45.492 45.100 -0.070 0.000 0.621 260 G HN 0.237 nan 8.290 nan 0.000 0.519 261 K N 0.446 120.911 120.400 0.109 0.000 2.143 261 K HA 0.599 4.919 4.320 -0.000 0.000 0.272 261 K C 0.399 177.170 176.600 0.284 0.000 1.001 261 K CA -0.701 55.693 56.287 0.178 0.000 0.915 261 K CB 1.442 33.980 32.500 0.063 0.000 1.047 261 K HN 0.232 nan 8.250 nan 0.000 0.458 262 I N 4.628 125.345 120.570 0.245 0.000 2.421 262 I HA -0.059 4.111 4.170 -0.000 0.000 0.291 262 I C 1.199 177.339 176.117 0.038 0.000 1.089 262 I CA 0.068 61.424 61.300 0.093 0.000 1.354 262 I CB 0.352 38.440 38.000 0.146 0.000 1.413 262 I HN 0.530 nan 8.210 nan 0.000 0.513 263 L N 6.022 127.241 121.223 -0.006 0.000 2.446 263 L HA 0.186 4.526 4.340 -0.000 0.000 0.219 263 L C 0.874 177.712 176.870 -0.053 0.000 1.116 263 L CA 0.722 55.550 54.840 -0.019 0.000 0.844 263 L CB -0.184 41.860 42.059 -0.024 0.000 0.970 263 L HN 0.664 nan 8.230 nan 0.000 0.457 264 K N -0.465 119.906 120.400 -0.048 0.000 3.533 264 K HA 0.115 4.435 4.320 -0.000 0.000 0.377 264 K C -2.348 174.221 176.600 -0.053 0.000 1.081 264 K CA -0.508 55.723 56.287 -0.093 0.000 0.823 264 K CB 0.927 33.328 32.500 -0.165 0.000 1.496 264 K HN 0.045 nan 8.250 nan 0.000 0.480 265 W N 0.989 122.090 121.300 -0.331 0.000 2.989 265 W HA 0.630 5.290 4.660 -0.000 0.000 0.344 265 W C -1.727 174.618 176.519 -0.289 0.000 1.233 265 W CA -0.631 56.404 57.345 -0.517 0.000 1.187 265 W CB 0.550 29.213 29.460 -1.329 0.000 1.443 265 W HN 0.680 nan 8.180 nan 0.000 0.573 266 E N 0.800 121.043 120.200 0.072 0.000 2.380 266 E HA 0.424 4.774 4.350 -0.000 0.000 0.281 266 E C -3.073 173.632 176.600 0.175 0.000 0.999 266 E CA -1.760 54.616 56.400 -0.040 0.000 0.800 266 E CB 2.733 32.435 29.700 0.003 0.000 1.228 266 E HN 0.022 nan 8.360 nan 0.000 0.436 267 P HA 0.052 nan 4.420 nan 0.000 0.274 267 P C 0.051 177.491 177.300 0.235 0.000 1.237 267 P CA -0.686 62.526 63.100 0.187 0.000 0.793 267 P CB 0.769 32.551 31.700 0.137 0.000 0.977 268 L N 3.022 124.376 121.223 0.218 0.000 2.455 268 L HA 0.134 4.474 4.340 -0.000 0.000 0.272 268 L C 0.176 177.191 176.870 0.241 0.000 1.174 268 L CA 1.001 56.022 54.840 0.302 0.000 0.869 268 L CB 0.099 42.277 42.059 0.199 0.000 1.130 268 L HN 0.622 nan 8.230 nan 0.000 0.474 269 T N 1.508 116.180 114.554 0.196 0.000 2.762 269 T HA 0.893 5.243 4.350 -0.000 0.000 0.272 269 T C 0.225 174.912 174.700 -0.023 0.000 0.982 269 T CA -0.141 61.958 62.100 -0.002 0.000 1.013 269 T CB 1.598 70.387 68.868 -0.132 0.000 1.309 269 T HN 1.241 nan 8.240 nan 0.000 0.572 270 G N 0.109 108.886 108.800 -0.038 0.000 2.660 270 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.247 270 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.247 270 G C 0.531 175.456 174.900 0.042 0.000 1.328 270 G CA 0.543 45.634 45.100 -0.015 0.000 0.884 270 G HN 1.800 nan 8.290 nan 0.000 0.531 271 T N -1.673 112.921 114.554 0.067 0.000 3.107 271 T HA 0.595 4.944 4.350 -0.000 0.000 0.249 271 T C 1.230 176.067 174.700 0.228 0.000 1.096 271 T CA 1.514 63.691 62.100 0.128 0.000 1.012 271 T CB 0.115 69.064 68.868 0.135 0.000 0.977 271 T HN 2.194 nan 8.240 nan 0.000 0.527 272 A N 2.097 124.991 122.820 0.123 0.000 2.444 272 A HA 0.391 4.711 4.320 -0.000 0.000 0.273 272 A C 1.440 179.156 177.584 0.219 0.000 1.136 272 A CA -0.627 51.443 52.037 0.055 0.000 0.799 272 A CB 0.342 19.237 19.000 -0.175 0.000 1.081 272 A HN 0.181 nan 8.150 nan 0.000 0.509 273 K N 1.025 121.655 120.400 0.384 0.000 2.057 273 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 273 K C 0.628 177.496 176.600 0.446 0.000 1.050 273 K CA 1.413 57.893 56.287 0.321 0.000 0.935 273 K CB -0.086 32.491 32.500 0.127 0.000 0.715 273 K HN 0.862 nan 8.250 nan 0.000 0.439 274 H N -1.311 117.927 119.070 0.281 0.000 3.029 274 H HA 0.386 4.942 4.556 -0.000 0.000 0.358 274 H C -1.360 174.068 175.328 0.166 0.000 1.129 274 H CA -0.585 55.633 56.048 0.284 0.000 1.230 274 H CB 1.314 31.319 29.762 0.405 0.000 1.827 274 H HN -0.104 nan 8.280 nan 0.000 0.530 275 I N 3.277 123.798 120.570 -0.082 0.000 2.509 275 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 275 I C -0.898 175.157 176.117 -0.104 0.000 1.020 275 I CA -0.379 60.896 61.300 -0.041 0.000 1.088 275 I CB 2.336 40.324 38.000 -0.019 0.000 1.267 275 I HN 0.606 nan 8.210 nan 0.000 0.430 276 E N 4.275 124.480 120.200 0.009 0.000 2.378 276 E HA 0.247 4.597 4.350 -0.000 0.000 0.283 276 E C -1.293 175.309 176.600 0.002 0.000 0.979 276 E CA -0.471 55.945 56.400 0.028 0.000 0.795 276 E CB 1.299 31.080 29.700 0.134 0.000 1.221 276 E HN 0.504 nan 8.360 nan 0.000 0.428 277 E N 1.125 121.312 120.200 -0.021 0.000 2.252 277 E HA -0.239 4.111 4.350 -0.000 0.000 0.218 277 E C -0.884 175.670 176.600 -0.076 0.000 1.253 277 E CA 0.493 56.852 56.400 -0.067 0.000 0.705 277 E CB -1.576 28.047 29.700 -0.129 0.000 1.172 277 E HN 0.422 nan 8.360 nan 0.000 0.369 278 c N 1.286 119.846 118.600 -0.067 0.000 2.648 278 c HA 0.158 4.728 4.570 -0.000 0.000 0.419 278 c C 1.120 175.175 174.090 -0.057 0.000 1.352 278 c CA -0.218 56.075 56.329 -0.060 0.000 1.816 278 c CB 0.285 42.756 42.510 -0.065 0.000 2.598 278 c HN 0.339 nan 8.230 nan 0.000 0.598 279 S N 2.460 118.146 115.700 -0.023 0.000 2.420 279 S HA 0.414 4.884 4.470 -0.000 0.000 0.313 279 S C -0.296 174.315 174.600 0.019 0.000 1.079 279 S CA -0.477 57.728 58.200 0.009 0.000 1.104 279 S CB 0.357 63.598 63.200 0.068 0.000 0.969 279 S HN 0.839 nan 8.310 nan 0.000 0.471 280 c N 3.756 122.364 118.600 0.013 0.000 2.435 280 c HA 0.838 5.408 4.570 -0.000 0.000 0.333 280 c C -0.329 173.825 174.090 0.106 0.000 1.202 280 c CA -1.028 55.309 56.329 0.013 0.000 1.830 280 c CB -0.208 42.283 42.510 -0.032 0.000 2.326 280 c HN 0.933 nan 8.230 nan 0.000 0.507 281 Y N 0.053 120.351 120.300 -0.004 0.000 2.609 281 Y HA 0.894 5.444 4.550 -0.000 0.000 0.342 281 Y C -0.170 175.765 175.900 0.058 0.000 1.058 281 Y CA -0.900 57.225 58.100 0.041 0.000 1.055 281 Y CB 1.117 39.622 38.460 0.074 0.000 1.292 281 Y HN 0.830 nan 8.280 nan 0.000 0.476 282 G N 0.608 109.570 108.800 0.270 0.000 2.605 282 G HA2 0.688 4.648 3.960 -0.000 0.000 0.296 282 G HA3 0.688 4.648 3.960 -0.000 0.000 0.296 282 G C -1.873 173.232 174.900 0.343 0.000 1.304 282 G CA -0.953 44.224 45.100 0.129 0.000 0.941 282 G HN 1.175 nan 8.290 nan 0.000 0.475 283 E N -0.900 119.479 120.200 0.298 0.000 3.260 283 E HA 0.323 4.673 4.350 -0.000 0.000 0.328 283 E C -0.555 176.181 176.600 0.227 0.000 1.112 283 E CA -0.864 55.787 56.400 0.419 0.000 0.898 283 E CB 0.168 30.158 29.700 0.483 0.000 1.191 283 E HN 0.414 nan 8.360 nan 0.000 0.480 284 Q N 1.839 121.746 119.800 0.179 0.000 2.460 284 Q HA -0.138 4.202 4.340 -0.000 0.000 0.311 284 Q C 0.445 176.495 176.000 0.084 0.000 1.396 284 Q CA 1.848 57.710 55.803 0.099 0.000 0.838 284 Q CB -1.858 26.925 28.738 0.076 0.000 1.140 284 Q HN 1.969 nan 8.270 nan 0.000 0.415 285 A N -2.156 120.721 122.820 0.094 0.000 2.744 285 A HA -0.005 4.315 4.320 -0.000 0.000 0.300 285 A C 0.752 178.368 177.584 0.052 0.000 1.512 285 A CA 1.623 53.702 52.037 0.070 0.000 0.851 285 A CB -1.517 17.517 19.000 0.056 0.000 0.987 285 A HN 1.483 nan 8.150 nan 0.000 0.507 286 G N -1.650 107.178 108.800 0.047 0.000 2.740 286 G HA2 0.626 4.586 3.960 -0.000 0.000 0.296 286 G HA3 0.626 4.586 3.960 -0.000 0.000 0.296 286 G C -0.860 174.021 174.900 -0.032 0.000 1.439 286 G CA 0.052 45.161 45.100 0.016 0.000 1.066 286 G HN 0.959 nan 8.290 nan 0.000 0.527 287 V N 1.187 121.072 119.914 -0.048 0.000 2.539 287 V HA 0.708 4.828 4.120 -0.000 0.000 0.292 287 V C 0.191 176.162 176.094 -0.205 0.000 1.045 287 V CA -0.324 61.903 62.300 -0.122 0.000 0.945 287 V CB 1.801 33.593 31.823 -0.052 0.000 0.993 287 V HN 0.768 nan 8.190 nan 0.000 0.464 288 T N 3.369 117.676 114.554 -0.412 0.000 2.841 288 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 288 T C -0.679 173.860 174.700 -0.269 0.000 0.991 288 T CA -0.285 61.581 62.100 -0.391 0.000 0.966 288 T CB 0.961 69.458 68.868 -0.619 0.000 0.962 288 T HN 0.731 nan 8.240 nan 0.000 0.438 289 c N 2.761 121.286 118.600 -0.125 0.000 2.455 289 c HA 0.787 5.357 4.570 -0.000 0.000 0.320 289 c C 0.468 174.533 174.090 -0.042 0.000 1.226 289 c CA -0.801 55.489 56.329 -0.065 0.000 1.569 289 c CB 1.223 43.695 42.510 -0.063 0.000 2.200 289 c HN 0.857 nan 8.230 nan 0.000 0.491 290 T N 2.085 116.629 114.554 -0.018 0.000 2.792 290 T HA 0.585 4.935 4.350 -0.000 0.000 0.280 290 T C -0.030 174.653 174.700 -0.029 0.000 0.990 290 T CA -0.204 61.881 62.100 -0.025 0.000 0.960 290 T CB 0.634 69.494 68.868 -0.014 0.000 0.939 290 T HN 0.858 nan 8.240 nan 0.000 0.439 291 c N 1.780 120.354 118.600 -0.043 0.000 3.188 291 c HA 0.734 5.304 4.570 -0.000 0.000 0.379 291 c C 0.037 174.120 174.090 -0.012 0.000 2.263 291 c CA -1.160 55.149 56.329 -0.033 0.000 1.616 291 c CB 1.068 43.558 42.510 -0.034 0.000 2.632 291 c HN 0.788 nan 8.230 nan 0.000 0.488 292 R N 1.470 121.981 120.500 0.019 0.000 2.409 292 R HA 0.286 4.626 4.340 -0.000 0.000 0.313 292 R C -1.750 174.658 176.300 0.180 0.000 0.953 292 R CA -0.001 56.140 56.100 0.068 0.000 0.849 292 R CB 0.958 31.280 30.300 0.035 0.000 1.171 292 R HN 0.851 nan 8.270 nan 0.000 0.458 293 D N 3.556 124.078 120.400 0.203 0.000 2.441 293 D HA 0.040 4.680 4.640 -0.000 0.000 0.221 293 D C 0.477 176.894 176.300 0.194 0.000 1.156 293 D CA -0.082 54.098 54.000 0.300 0.000 0.896 293 D CB 0.772 41.759 40.800 0.312 0.000 1.028 293 D HN 0.554 nan 8.370 nan 0.000 0.509 294 N N 3.223 122.027 118.700 0.173 0.000 2.270 294 N HA -0.103 4.637 4.740 -0.000 0.000 0.181 294 N C 1.236 176.736 175.510 -0.017 0.000 1.016 294 N CA 0.653 53.727 53.050 0.040 0.000 0.870 294 N CB -0.026 38.498 38.487 0.063 0.000 0.979 294 N HN 0.490 nan 8.380 nan 0.000 0.431 295 W N 1.553 122.586 121.300 -0.445 0.000 2.381 295 W HA -0.098 4.562 4.660 -0.000 0.000 0.323 295 W C 1.848 178.303 176.519 -0.107 0.000 1.194 295 W CA 2.283 59.445 57.345 -0.305 0.000 1.296 295 W CB -0.732 28.504 29.460 -0.374 0.000 1.175 295 W HN 0.291 nan 8.180 nan 0.000 0.465 296 Q N -1.293 118.368 119.800 -0.231 0.000 2.288 296 Q HA 0.279 4.619 4.340 -0.000 0.000 0.256 296 Q C 0.977 176.885 176.000 -0.152 0.000 0.835 296 Q CA 0.477 56.089 55.803 -0.319 0.000 0.958 296 Q CB 0.046 28.366 28.738 -0.697 0.000 1.125 296 Q HN 0.163 nan 8.270 nan 0.000 0.513 297 G N 0.670 109.445 108.800 -0.042 0.000 2.390 297 G HA2 0.334 4.294 3.960 -0.000 0.000 0.270 297 G HA3 0.334 4.294 3.960 -0.000 0.000 0.270 297 G C -0.044 174.903 174.900 0.079 0.000 1.211 297 G CA -0.336 44.784 45.100 0.032 0.000 0.842 297 G HN 0.094 nan 8.290 nan 0.000 0.519 298 S N 0.960 116.709 115.700 0.080 0.000 2.511 298 S HA 0.042 4.512 4.470 -0.000 0.000 0.214 298 S C 1.199 175.829 174.600 0.050 0.000 0.997 298 S CA -0.373 57.863 58.200 0.060 0.000 0.908 298 S CB -0.041 63.188 63.200 0.048 0.000 0.803 298 S HN 0.839 nan 8.310 nan 0.000 0.504 299 N N 2.010 120.771 118.700 0.100 0.000 2.476 299 N HA 0.315 5.055 4.740 -0.000 0.000 0.287 299 N C -0.455 175.182 175.510 0.211 0.000 1.262 299 N CA -0.559 52.562 53.050 0.118 0.000 0.980 299 N CB 0.478 39.060 38.487 0.159 0.000 1.163 299 N HN 0.069 nan 8.380 nan 0.000 0.592 300 R N -0.846 119.783 120.500 0.215 0.000 2.686 300 R HA 0.501 4.841 4.340 -0.000 0.000 0.286 300 R C -2.547 173.735 176.300 -0.031 0.000 0.969 300 R CA -1.727 54.449 56.100 0.128 0.000 0.898 300 R CB 2.242 32.554 30.300 0.020 0.000 1.183 300 R HN 0.517 nan 8.270 nan 0.000 0.456 301 P HA 0.168 nan 4.420 nan 0.000 0.274 301 P C -0.613 176.527 177.300 -0.267 0.000 1.231 301 P CA -0.288 62.415 63.100 -0.661 0.000 0.790 301 P CB 1.244 32.608 31.700 -0.560 0.000 0.951 302 V N 3.135 122.916 119.914 -0.222 0.000 2.962 302 V HA 0.481 4.600 4.120 -0.000 0.000 0.313 302 V C 0.138 176.191 176.094 -0.068 0.000 1.099 302 V CA -0.738 61.501 62.300 -0.101 0.000 0.971 302 V CB 2.180 33.969 31.823 -0.057 0.000 1.028 302 V HN 0.386 nan 8.190 nan 0.000 0.430 303 I N 3.068 123.617 120.570 -0.035 0.000 2.497 303 I HA 0.350 4.520 4.170 -0.000 0.000 0.284 303 I C -0.742 175.379 176.117 0.007 0.000 1.060 303 I CA -0.563 60.748 61.300 0.019 0.000 1.071 303 I CB 1.927 39.945 38.000 0.030 0.000 1.216 303 I HN 0.461 nan 8.210 nan 0.000 0.442 304 Q N 6.968 126.784 119.800 0.026 0.000 2.349 304 Q HA 0.535 4.875 4.340 -0.000 0.000 0.254 304 Q C -0.548 175.489 176.000 0.061 0.000 0.980 304 Q CA -0.115 55.693 55.803 0.007 0.000 0.924 304 Q CB 2.115 30.856 28.738 0.006 0.000 1.209 304 Q HN 0.597 nan 8.270 nan 0.000 0.445 305 I N 1.411 122.010 120.570 0.050 0.000 2.441 305 I HA 0.222 4.392 4.170 -0.000 0.000 0.295 305 I C 0.089 176.262 176.117 0.094 0.000 0.994 305 I CA -0.840 60.530 61.300 0.116 0.000 1.144 305 I CB 1.770 39.818 38.000 0.081 0.000 1.314 305 I HN 0.326 nan 8.210 nan 0.000 0.445 306 D N 8.303 128.780 120.400 0.128 0.000 2.373 306 D HA 0.255 4.895 4.640 -0.000 0.000 0.227 306 D C -1.762 174.605 176.300 0.112 0.000 1.091 306 D CA -2.359 51.690 54.000 0.082 0.000 0.840 306 D CB 2.084 42.910 40.800 0.043 0.000 1.060 306 D HN 0.195 nan 8.370 nan 0.000 0.502 307 P HA -0.126 nan 4.420 nan 0.000 0.217 307 P C 1.462 178.777 177.300 0.026 0.000 1.151 307 P CA 0.494 63.664 63.100 0.117 0.000 0.828 307 P CB 0.608 32.364 31.700 0.093 0.000 0.788 308 V N 1.354 121.267 119.914 -0.001 0.000 2.239 308 V HA -0.126 3.994 4.120 -0.000 0.000 0.242 308 V C 2.885 178.925 176.094 -0.090 0.000 1.038 308 V CA 2.312 64.590 62.300 -0.037 0.000 1.002 308 V CB -1.925 29.888 31.823 -0.017 0.000 0.641 308 V HN 0.061 nan 8.190 nan 0.000 0.449 309 A N -0.983 121.790 122.820 -0.078 0.000 2.070 309 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 309 A C 1.515 178.982 177.584 -0.196 0.000 1.159 309 A CA 1.404 53.377 52.037 -0.107 0.000 0.656 309 A CB -0.730 18.231 19.000 -0.066 0.000 0.800 309 A HN 0.632 nan 8.150 nan 0.000 0.453 310 M N -0.238 119.206 119.600 -0.259 0.000 2.360 310 M HA -0.178 4.302 4.480 -0.000 0.000 0.202 310 M C 0.264 176.354 176.300 -0.349 0.000 0.390 310 M CA 0.746 55.666 55.300 -0.634 0.000 0.470 310 M CB -2.507 29.494 32.600 -0.999 0.000 1.637 310 M HN 0.640 nan 8.290 nan 0.000 0.885 311 T N -2.662 111.873 114.554 -0.031 0.000 2.768 311 T HA 0.936 5.286 4.350 -0.000 0.000 0.268 311 T C -0.328 174.540 174.700 0.279 0.000 0.969 311 T CA -0.020 62.135 62.100 0.091 0.000 1.008 311 T CB 1.875 70.741 68.868 -0.002 0.000 1.371 311 T HN 0.680 nan 8.240 nan 0.000 0.587 312 H N -2.524 116.583 119.070 0.061 0.000 2.894 312 H HA 0.642 5.197 4.556 -0.000 0.000 0.282 312 H C -1.651 173.692 175.328 0.025 0.000 1.448 312 H CA -0.957 55.126 56.048 0.057 0.000 1.158 312 H CB 0.838 30.649 29.762 0.083 0.000 1.818 312 H HN 0.847 nan 8.280 nan 0.000 0.493 313 T N 0.554 115.098 114.554 -0.017 0.000 2.821 313 T HA 0.637 4.987 4.350 -0.000 0.000 0.306 313 T C -1.120 173.593 174.700 0.022 0.000 1.313 313 T CA -0.502 61.534 62.100 -0.106 0.000 1.012 313 T CB 1.273 70.109 68.868 -0.053 0.000 1.298 313 T HN 1.217 nan 8.240 nan 0.000 0.502 314 S N 0.459 116.154 115.700 -0.009 0.000 2.579 314 S HA 0.868 5.337 4.470 -0.000 0.000 0.272 314 S C -1.073 173.517 174.600 -0.018 0.000 1.141 314 S CA -0.635 57.562 58.200 -0.005 0.000 0.843 314 S CB 2.626 65.836 63.200 0.017 0.000 1.122 314 S HN 1.202 nan 8.310 nan 0.000 0.468 315 Q N 0.483 120.240 119.800 -0.072 0.000 2.601 315 Q HA 0.565 4.905 4.340 -0.000 0.000 0.356 315 Q C -1.946 173.979 176.000 -0.126 0.000 0.665 315 Q CA -0.961 54.853 55.803 0.020 0.000 0.968 315 Q CB 0.384 29.163 28.738 0.070 0.000 1.154 315 Q HN 0.683 nan 8.270 nan 0.000 0.492 316 Y N -0.412 119.902 120.300 0.022 0.000 2.581 316 Y HA 0.562 5.112 4.550 -0.000 0.000 0.345 316 Y C -0.557 175.354 175.900 0.018 0.000 1.036 316 Y CA -1.046 57.067 58.100 0.023 0.000 1.042 316 Y CB 1.918 40.393 38.460 0.026 0.000 1.289 316 Y HN 0.503 nan 8.280 nan 0.000 0.471 317 I N 1.891 122.570 120.570 0.182 0.000 2.581 317 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 317 I C 0.572 176.750 176.117 0.101 0.000 1.129 317 I CA 0.227 61.584 61.300 0.094 0.000 1.397 317 I CB 0.338 38.366 38.000 0.047 0.000 1.399 317 I HN 0.810 nan 8.210 nan 0.000 0.537 318 c N 3.465 122.110 118.600 0.074 0.000 2.419 318 c HA -0.111 4.459 4.570 -0.000 0.000 0.281 318 c C 1.841 175.952 174.090 0.034 0.000 1.336 318 c CA 0.344 56.710 56.329 0.061 0.000 1.770 318 c CB -0.908 41.628 42.510 0.043 0.000 1.929 318 c HN 0.849 nan 8.230 nan 0.000 0.509 319 S N 1.504 117.209 115.700 0.007 0.000 2.558 319 S HA 0.029 4.499 4.470 -0.000 0.000 0.293 319 S C -0.947 173.613 174.600 -0.067 0.000 1.292 319 S CA -0.555 57.626 58.200 -0.031 0.000 1.063 319 S CB 0.730 63.901 63.200 -0.047 0.000 0.831 319 S HN 0.398 nan 8.310 nan 0.000 0.499 320 P HA 0.092 nan 4.420 nan 0.000 0.249 320 P C -0.299 176.888 177.300 -0.190 0.000 1.229 320 P CA 0.147 63.140 63.100 -0.177 0.000 0.788 320 P CB 0.027 31.650 31.700 -0.129 0.000 1.072 321 V N 2.727 122.556 119.914 -0.142 0.000 2.338 321 V HA 0.100 4.219 4.120 -0.000 0.000 0.255 321 V C 0.905 176.911 176.094 -0.147 0.000 1.082 321 V CA -0.347 61.870 62.300 -0.139 0.000 0.951 321 V CB -0.106 31.643 31.823 -0.124 0.000 1.102 321 V HN 0.006 nan 8.190 nan 0.000 0.489 322 L N 4.603 125.724 121.223 -0.170 0.000 2.416 322 L HA 0.294 4.634 4.340 -0.000 0.000 0.272 322 L C 1.402 178.197 176.870 -0.124 0.000 1.161 322 L CA 0.147 54.897 54.840 -0.150 0.000 0.845 322 L CB 0.928 42.880 42.059 -0.178 0.000 1.119 322 L HN 0.739 nan 8.230 nan 0.000 0.464 323 T N -3.963 110.528 114.554 -0.104 0.000 3.040 323 T HA 0.101 4.451 4.350 -0.000 0.000 0.266 323 T C 0.377 175.029 174.700 -0.080 0.000 1.005 323 T CA -0.465 61.562 62.100 -0.122 0.000 0.906 323 T CB 0.239 69.008 68.868 -0.165 0.000 1.082 323 T HN 0.477 nan 8.240 nan 0.000 0.531 324 D N 2.151 122.528 120.400 -0.038 0.000 2.447 324 D HA 0.313 4.953 4.640 -0.000 0.000 0.265 324 D C -0.421 175.881 176.300 0.004 0.000 1.250 324 D CA -0.206 53.792 54.000 -0.003 0.000 1.046 324 D CB 0.972 41.787 40.800 0.026 0.000 1.095 324 D HN 0.378 nan 8.370 nan 0.000 0.555 325 N N 0.182 118.900 118.700 0.031 0.000 2.635 325 N HA 0.164 4.904 4.740 -0.000 0.000 0.260 325 N C -3.137 172.407 175.510 0.057 0.000 1.078 325 N CA -0.935 52.139 53.050 0.040 0.000 1.012 325 N CB 1.921 40.440 38.487 0.053 0.000 1.677 325 N HN -0.015 nan 8.380 nan 0.000 0.514 326 P HA 0.180 nan 4.420 nan 0.000 0.270 326 P C -0.978 176.337 177.300 0.025 0.000 1.227 326 P CA 0.301 63.423 63.100 0.037 0.000 0.788 326 P CB 0.422 32.143 31.700 0.035 0.000 0.926 327 R N 0.321 120.829 120.500 0.013 0.000 2.634 327 R HA 0.530 4.869 4.340 -0.000 0.000 0.263 327 R C -3.175 173.118 176.300 -0.010 0.000 1.060 327 R CA -1.955 54.144 56.100 -0.002 0.000 0.898 327 R CB 0.889 31.175 30.300 -0.023 0.000 1.253 327 R HN 0.169 nan 8.270 nan 0.000 0.461 328 P HA 0.047 nan 4.420 nan 0.000 0.274 328 P C -0.771 176.500 177.300 -0.048 0.000 1.256 328 P CA -0.443 62.649 63.100 -0.012 0.000 0.795 328 P CB 0.531 32.242 31.700 0.018 0.000 1.038 329 N N 0.564 119.239 118.700 -0.042 0.000 2.340 329 N HA 0.015 4.755 4.740 -0.000 0.000 0.236 329 N C -0.052 175.397 175.510 -0.100 0.000 1.296 329 N CA 0.289 53.305 53.050 -0.058 0.000 0.896 329 N CB -0.125 38.339 38.487 -0.037 0.000 1.127 329 N HN 0.393 nan 8.380 nan 0.000 0.442 330 D N 1.636 121.972 120.400 -0.107 0.000 2.450 330 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 330 D C -1.505 174.716 176.300 -0.133 0.000 1.162 330 D CA -0.416 53.499 54.000 -0.142 0.000 0.879 330 D CB 0.368 41.099 40.800 -0.114 0.000 1.163 330 D HN 0.317 nan 8.370 nan 0.000 0.472 331 P HA 0.189 nan 4.420 nan 0.000 0.282 331 P C 0.395 177.649 177.300 -0.076 0.000 1.287 331 P CA -0.440 62.590 63.100 -0.117 0.000 0.792 331 P CB 1.044 32.643 31.700 -0.169 0.000 1.163 332 T N -1.194 113.342 114.554 -0.029 0.000 2.976 332 T HA 0.125 4.475 4.350 -0.000 0.000 0.257 332 T C 0.923 175.615 174.700 -0.015 0.000 1.051 332 T CA 0.727 62.814 62.100 -0.022 0.000 1.141 332 T CB -0.042 68.822 68.868 -0.007 0.000 0.881 332 T HN 0.150 nan 8.240 nan 0.000 0.461 336 K N -0.467 120.065 120.400 0.221 0.000 2.172 336 K HA 0.583 4.903 4.320 -0.000 0.000 0.276 336 K C 0.442 177.066 176.600 0.041 0.000 1.013 336 K CA -0.382 55.931 56.287 0.043 0.000 0.913 336 K CB 1.359 33.799 32.500 -0.101 0.000 1.055 336 K HN 0.465 nan 8.250 nan 0.000 0.461 337 c N 1.527 120.143 118.600 0.026 0.000 2.513 337 c HA 0.135 4.705 4.570 -0.000 0.000 0.292 337 c C 1.101 175.257 174.090 0.110 0.000 1.359 337 c CA -0.097 56.274 56.329 0.070 0.000 1.778 337 c CB -0.078 42.464 42.510 0.053 0.000 2.180 337 c HN 0.804 nan 8.230 nan 0.000 0.509 338 N N 1.176 119.905 118.700 0.048 0.000 2.184 338 N HA 0.101 4.841 4.740 -0.000 0.000 0.206 338 N C -0.790 174.727 175.510 0.012 0.000 1.151 338 N CA 0.380 53.481 53.050 0.086 0.000 0.878 338 N CB 0.531 39.048 38.487 0.049 0.000 1.014 338 N HN 0.785 nan 8.380 nan 0.000 0.512 339 D N -0.997 119.290 120.400 -0.190 0.000 2.596 339 D HA 0.344 4.983 4.640 -0.000 0.000 0.234 339 D C -3.021 172.848 176.300 -0.719 0.000 1.181 339 D CA -1.745 52.044 54.000 -0.353 0.000 0.856 339 D CB 2.118 42.782 40.800 -0.227 0.000 1.498 339 D HN -0.231 nan 8.370 nan 0.000 0.446 340 P HA 0.038 nan 4.420 nan 0.000 0.271 340 P C -1.160 175.895 177.300 -0.408 0.000 1.218 340 P CA -0.159 62.504 63.100 -0.729 0.000 0.780 340 P CB 0.392 31.810 31.700 -0.471 0.000 0.901 341 Y N 5.424 125.544 120.300 -0.301 0.000 2.404 341 Y HA 0.238 4.787 4.550 -0.000 0.000 0.344 341 Y C -1.703 174.108 175.900 -0.149 0.000 0.995 341 Y CA -1.989 56.001 58.100 -0.183 0.000 1.201 341 Y CB 0.485 38.870 38.460 -0.125 0.000 1.151 341 Y HN 0.319 nan 8.280 nan 0.000 0.517 342 P HA 0.381 nan 4.420 nan 0.000 0.276 342 P C 0.151 177.458 177.300 0.012 0.000 1.244 342 P CA 0.428 63.456 63.100 -0.120 0.000 0.801 342 P CB 2.050 33.629 31.700 -0.201 0.000 1.006 343 G N 1.493 110.296 108.800 0.004 0.000 3.345 343 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.199 343 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.199 343 G C -0.286 174.627 174.900 0.022 0.000 1.057 343 G CA -0.349 44.769 45.100 0.030 0.000 0.865 343 G HN 0.581 nan 8.290 nan 0.000 0.449 344 N N 0.750 119.464 118.700 0.023 0.000 2.260 344 N HA 0.613 5.353 4.740 -0.000 0.000 0.293 344 N C -1.185 174.336 175.510 0.019 0.000 1.058 344 N CA -0.582 52.482 53.050 0.023 0.000 0.824 344 N CB 1.897 40.401 38.487 0.028 0.000 1.551 344 N HN 0.630 nan 8.380 nan 0.000 0.475 345 N N 0.120 118.837 118.700 0.029 0.000 2.494 345 N HA 0.495 5.235 4.740 -0.000 0.000 0.270 345 N C -1.428 174.122 175.510 0.067 0.000 1.285 345 N CA -0.822 52.255 53.050 0.045 0.000 0.812 345 N CB 0.940 39.452 38.487 0.043 0.000 1.557 345 N HN 0.366 nan 8.380 nan 0.000 0.487 346 N N -0.717 118.037 118.700 0.091 0.000 2.816 346 N HA -0.200 4.540 4.740 -0.000 0.000 0.247 346 N C -1.369 174.172 175.510 0.052 0.000 1.100 346 N CA 0.849 53.942 53.050 0.072 0.000 0.687 346 N CB -1.919 36.604 38.487 0.061 0.000 1.003 346 N HN 0.947 nan 8.380 nan 0.000 0.554 347 N N -2.061 116.673 118.700 0.056 0.000 3.545 347 N HA 0.595 5.335 4.740 -0.000 0.000 0.227 347 N C -0.651 174.899 175.510 0.067 0.000 1.380 347 N CA -0.247 52.839 53.050 0.060 0.000 0.892 347 N CB 1.263 39.781 38.487 0.051 0.000 1.441 347 N HN 0.319 nan 8.380 nan 0.000 0.497 348 G N -0.144 108.703 108.800 0.078 0.000 2.336 348 G HA2 0.462 4.422 3.960 -0.000 0.000 0.286 348 G HA3 0.462 4.422 3.960 -0.000 0.000 0.286 348 G C -2.091 172.865 174.900 0.093 0.000 1.269 348 G CA -0.296 44.849 45.100 0.076 0.000 0.873 348 G HN 0.551 nan 8.290 nan 0.000 0.494 349 V N -0.286 119.665 119.914 0.062 0.000 3.120 349 V HA 0.581 4.700 4.120 -0.000 0.000 0.303 349 V C -0.166 175.850 176.094 -0.129 0.000 1.238 349 V CA -1.089 61.239 62.300 0.047 0.000 1.008 349 V CB 2.030 33.940 31.823 0.144 0.000 1.064 349 V HN 1.009 nan 8.190 nan 0.000 0.434 350 K N 1.113 121.216 120.400 -0.495 0.000 2.350 350 K HA 0.610 4.930 4.320 -0.000 0.000 0.279 350 K C 0.120 176.632 176.600 -0.147 0.000 1.027 350 K CA 0.529 56.545 56.287 -0.452 0.000 0.969 350 K CB 0.800 32.787 32.500 -0.855 0.000 0.954 350 K HN 1.055 nan 8.250 nan 0.000 0.474 351 G N 2.385 111.163 108.800 -0.036 0.000 2.788 351 G HA2 0.678 4.638 3.960 -0.000 0.000 0.293 351 G HA3 0.678 4.638 3.960 -0.000 0.000 0.293 351 G C -1.602 173.377 174.900 0.132 0.000 1.392 351 G CA -0.855 44.293 45.100 0.079 0.000 0.810 351 G HN 0.643 nan 8.290 nan 0.000 0.508 352 F N -1.463 118.426 119.950 -0.101 0.000 2.831 352 F HA 0.882 5.409 4.527 -0.000 0.000 0.318 352 F C -0.550 175.156 175.800 -0.156 0.000 1.174 352 F CA -0.979 56.937 58.000 -0.141 0.000 0.918 352 F CB 1.657 40.543 39.000 -0.189 0.000 1.364 352 F HN 1.235 nan 8.300 nan 0.000 0.475 353 S N -0.495 115.032 115.700 -0.288 0.000 2.580 353 S HA 0.529 4.998 4.470 -0.000 0.000 0.281 353 S C -2.390 172.115 174.600 -0.158 0.000 1.129 353 S CA -0.850 57.156 58.200 -0.324 0.000 0.862 353 S CB 0.661 63.733 63.200 -0.213 0.000 1.090 353 S HN 0.808 nan 8.310 nan 0.000 0.451 354 Y N 1.550 121.911 120.300 0.102 0.000 2.353 354 Y HA 0.561 5.111 4.550 -0.000 0.000 0.340 354 Y C -0.161 175.836 175.900 0.161 0.000 0.972 354 Y CA -0.764 57.365 58.100 0.049 0.000 1.157 354 Y CB 1.293 39.744 38.460 -0.015 0.000 1.157 354 Y HN 0.602 nan 8.280 nan 0.000 0.495 355 L N 4.219 125.665 121.223 0.372 0.000 2.297 355 L HA 0.363 4.703 4.340 -0.000 0.000 0.277 355 L C -0.240 176.800 176.870 0.283 0.000 1.040 355 L CA -0.155 54.849 54.840 0.273 0.000 0.867 355 L CB 0.649 42.835 42.059 0.212 0.000 1.244 355 L HN 0.528 nan 8.230 nan 0.000 0.433 356 D N 2.274 122.810 120.400 0.226 0.000 2.957 356 D HA 0.391 5.031 4.640 -0.000 0.000 0.352 356 D C 0.908 177.282 176.300 0.123 0.000 1.352 356 D CA 0.672 54.782 54.000 0.183 0.000 0.831 356 D CB 0.651 41.559 40.800 0.180 0.000 1.147 356 D HN 0.622 nan 8.370 nan 0.000 0.467 357 G N 0.497 109.357 108.800 0.101 0.000 2.595 357 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.297 357 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.297 357 G C 1.236 176.168 174.900 0.053 0.000 1.181 357 G CA 0.231 45.371 45.100 0.068 0.000 0.963 357 G HN 0.580 nan 8.290 nan 0.000 0.541 358 G N 0.428 109.256 108.800 0.047 0.000 2.551 358 G HA2 0.133 4.093 3.960 -0.000 0.000 0.216 358 G HA3 0.133 4.093 3.960 -0.000 0.000 0.216 358 G C 1.021 175.949 174.900 0.046 0.000 1.137 358 G CA 1.263 46.382 45.100 0.031 0.000 0.798 358 G HN 0.899 nan 8.290 nan 0.000 0.536 359 N N 0.921 119.674 118.700 0.088 0.000 3.111 359 N HA 0.091 4.830 4.740 -0.000 0.000 0.302 359 N C -0.425 175.220 175.510 0.226 0.000 1.317 359 N CA -0.011 53.131 53.050 0.153 0.000 1.151 359 N CB -0.370 38.188 38.487 0.117 0.000 1.456 359 N HN 0.081 nan 8.380 nan 0.000 0.547 360 T N -0.638 114.013 114.554 0.163 0.000 2.812 360 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 360 T C -1.323 173.447 174.700 0.117 0.000 0.990 360 T CA -0.547 61.672 62.100 0.198 0.000 0.960 360 T CB 0.295 69.229 68.868 0.110 0.000 0.948 360 T HN 0.180 nan 8.240 nan 0.000 0.438 361 W N 4.187 125.580 121.300 0.156 0.000 2.736 361 W HA 0.718 5.378 4.660 -0.000 0.000 0.335 361 W C -0.801 175.684 176.519 -0.057 0.000 1.059 361 W CA -0.896 56.525 57.345 0.126 0.000 1.226 361 W CB 1.675 31.371 29.460 0.394 0.000 1.416 361 W HN 0.513 nan 8.180 nan 0.000 0.505 362 L N 2.488 123.719 121.223 0.014 0.000 2.342 362 L HA 0.909 5.249 4.340 -0.000 0.000 0.271 362 L C 0.502 177.136 176.870 -0.393 0.000 1.008 362 L CA -1.113 53.592 54.840 -0.226 0.000 0.818 362 L CB 1.645 43.586 42.059 -0.197 0.000 1.296 362 L HN 0.570 nan 8.230 nan 0.000 0.427 363 G N 1.399 109.790 108.800 -0.681 0.000 2.452 363 G HA2 0.821 4.781 3.960 -0.000 0.000 0.324 363 G HA3 0.821 4.781 3.960 -0.000 0.000 0.324 363 G C -1.148 173.357 174.900 -0.658 0.000 1.214 363 G CA -0.491 44.159 45.100 -0.750 0.000 0.947 363 G HN 0.769 nan 8.290 nan 0.000 0.478 364 R N -0.784 119.168 120.500 -0.913 0.000 2.712 364 R HA 0.638 4.978 4.340 -0.000 0.000 0.272 364 R C -0.427 175.429 176.300 -0.740 0.000 1.032 364 R CA -0.857 54.870 56.100 -0.622 0.000 0.874 364 R CB 0.502 30.595 30.300 -0.346 0.000 1.256 364 R HN 0.655 nan 8.270 nan 0.000 0.468 365 T N -1.064 113.313 114.554 -0.294 0.000 2.868 365 T HA 0.314 4.663 4.350 -0.000 0.000 0.292 365 T C 1.356 175.999 174.700 -0.094 0.000 1.028 365 T CA -0.770 61.274 62.100 -0.092 0.000 1.059 365 T CB 0.614 69.530 68.868 0.080 0.000 0.991 365 T HN 0.562 nan 8.240 nan 0.000 0.531 366 I N 0.602 121.159 120.570 -0.021 0.000 2.333 366 I HA -0.005 4.165 4.170 -0.000 0.000 0.246 366 I C 1.900 178.016 176.117 -0.002 0.000 1.106 366 I CA 0.441 61.728 61.300 -0.022 0.000 1.411 366 I CB -0.259 37.743 38.000 0.003 0.000 1.082 366 I HN 0.665 nan 8.210 nan 0.000 0.420 367 S N 1.108 116.829 115.700 0.035 0.000 2.564 367 S HA 0.146 4.616 4.470 -0.000 0.000 0.278 367 S C 1.092 175.710 174.600 0.030 0.000 1.333 367 S CA -0.511 57.715 58.200 0.043 0.000 1.048 367 S CB 0.772 64.025 63.200 0.088 0.000 0.900 367 S HN 0.296 nan 8.310 nan 0.000 0.505 368 I N 2.566 123.146 120.570 0.018 0.000 3.059 368 I HA 0.305 4.475 4.170 -0.000 0.000 0.270 368 I C 1.619 177.752 176.117 0.026 0.000 1.238 368 I CA 0.890 62.195 61.300 0.009 0.000 1.478 368 I CB -0.229 37.767 38.000 -0.005 0.000 1.097 368 I HN 0.542 nan 8.210 nan 0.000 0.455 369 A N -0.253 122.593 122.820 0.042 0.000 2.288 369 A HA 0.520 4.840 4.320 -0.000 0.000 0.216 369 A C 0.966 178.591 177.584 0.068 0.000 1.199 369 A CA 0.095 52.162 52.037 0.050 0.000 0.891 369 A CB 0.059 19.086 19.000 0.046 0.000 0.923 369 A HN 0.395 nan 8.150 nan 0.000 0.500 370 S N -1.430 114.328 115.700 0.098 0.000 2.705 370 S HA 0.544 5.014 4.470 -0.000 0.000 0.280 370 S C -0.789 173.908 174.600 0.161 0.000 1.174 370 S CA -0.811 57.466 58.200 0.128 0.000 0.823 370 S CB 1.042 64.364 63.200 0.203 0.000 1.162 370 S HN 0.257 nan 8.310 nan 0.000 0.487 371 R N 1.372 121.983 120.500 0.186 0.000 3.785 371 R HA 0.517 4.856 4.340 -0.000 0.000 0.255 371 R C -0.923 175.595 176.300 0.364 0.000 1.485 371 R CA -0.011 56.227 56.100 0.231 0.000 1.555 371 R CB 0.372 30.787 30.300 0.192 0.000 1.362 371 R HN 0.404 nan 8.270 nan 0.000 0.702 372 S N 0.210 116.125 115.700 0.359 0.000 2.513 372 S HA 0.802 5.272 4.470 -0.000 0.000 0.299 372 S C -0.000 174.717 174.600 0.196 0.000 1.087 372 S CA -0.510 57.901 58.200 0.351 0.000 1.012 372 S CB 2.042 65.396 63.200 0.257 0.000 1.044 372 S HN 0.728 nan 8.310 nan 0.000 0.485 373 G N 0.897 109.793 108.800 0.161 0.000 2.856 373 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.674 373 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.674 373 G C -1.340 173.709 174.900 0.248 0.000 1.519 373 G CA -0.475 44.715 45.100 0.149 0.000 0.940 373 G HN 0.880 nan 8.290 nan 0.000 0.564 374 Y N 0.456 120.810 120.300 0.089 0.000 2.552 374 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 374 Y C -0.286 175.659 175.900 0.075 0.000 1.094 374 Y CA -0.141 58.008 58.100 0.083 0.000 1.028 374 Y CB 1.752 40.286 38.460 0.123 0.000 1.321 374 Y HN 1.101 nan 8.280 nan 0.000 0.456 375 E N 4.407 124.386 120.200 -0.369 0.000 2.413 375 E HA 0.609 4.959 4.350 -0.000 0.000 0.277 375 E C -1.839 174.616 176.600 -0.243 0.000 0.958 375 E CA -1.263 55.050 56.400 -0.145 0.000 0.779 375 E CB 2.485 32.130 29.700 -0.092 0.000 1.278 375 E HN 0.363 nan 8.360 nan 0.000 0.456 376 M N 2.063 121.653 119.600 -0.017 0.000 2.465 376 M HA 0.536 5.016 4.480 -0.000 0.000 0.316 376 M C -1.215 175.252 176.300 0.278 0.000 1.121 376 M CA -0.724 54.593 55.300 0.028 0.000 0.934 376 M CB 1.270 33.837 32.600 -0.054 0.000 1.692 376 M HN 0.646 nan 8.290 nan 0.000 0.444 377 L N 1.632 122.977 121.223 0.202 0.000 2.455 377 L HA 0.523 4.863 4.340 -0.000 0.000 0.264 377 L C -0.205 176.349 176.870 -0.527 0.000 0.968 377 L CA -0.696 54.084 54.840 -0.100 0.000 0.827 377 L CB 2.579 44.556 42.059 -0.137 0.000 1.317 377 L HN 0.590 nan 8.230 nan 0.000 0.407 378 K N 2.093 121.815 120.400 -1.131 0.000 2.316 378 K HA 0.508 4.827 4.320 -0.000 0.000 0.289 378 K C -1.258 175.017 176.600 -0.541 0.000 1.070 378 K CA -0.289 55.226 56.287 -1.288 0.000 0.928 378 K CB 0.901 32.619 32.500 -1.303 0.000 1.039 378 K HN 0.408 nan 8.250 nan 0.000 0.480 379 V N 7.971 127.666 119.914 -0.365 0.000 2.327 379 V HA 0.225 4.345 4.120 -0.000 0.000 0.272 379 V C -2.307 173.705 176.094 -0.137 0.000 1.019 379 V CA -2.075 60.104 62.300 -0.201 0.000 0.814 379 V CB 1.130 32.864 31.823 -0.148 0.000 1.040 379 V HN 0.794 nan 8.190 nan 0.000 0.440 380 P HA 0.106 nan 4.420 nan 0.000 0.267 380 P C 0.443 177.724 177.300 -0.031 0.000 1.200 380 P CA 0.251 63.316 63.100 -0.060 0.000 0.772 380 P CB 0.164 31.835 31.700 -0.049 0.000 0.855 381 N N 0.472 119.170 118.700 -0.003 0.000 2.677 381 N HA -0.282 4.458 4.740 -0.000 0.000 0.249 381 N C 0.989 176.501 175.510 0.004 0.000 1.073 381 N CA 0.698 53.753 53.050 0.009 0.000 0.737 381 N CB -1.271 37.222 38.487 0.009 0.000 0.999 381 N HN 0.479 nan 8.380 nan 0.000 0.543 382 A N -0.301 122.517 122.820 -0.004 0.000 2.032 382 A HA -0.145 4.175 4.320 -0.000 0.000 0.221 382 A C 1.972 179.563 177.584 0.010 0.000 1.165 382 A CA 1.295 53.326 52.037 -0.011 0.000 0.645 382 A CB -0.186 18.799 19.000 -0.025 0.000 0.807 382 A HN 0.512 nan 8.150 nan 0.000 0.453 383 L N -0.518 120.721 121.223 0.027 0.000 2.209 383 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 383 L C 2.546 179.438 176.870 0.037 0.000 1.094 383 L CA 2.060 56.922 54.840 0.038 0.000 0.790 383 L CB -0.305 41.783 42.059 0.048 0.000 0.932 383 L HN 0.667 nan 8.230 nan 0.000 0.447 384 T N -4.998 109.573 114.554 0.029 0.000 3.042 384 T HA -0.007 4.343 4.350 -0.000 0.000 0.245 384 T C 0.862 175.574 174.700 0.020 0.000 1.029 384 T CA -0.287 61.829 62.100 0.026 0.000 1.120 384 T CB -0.061 68.822 68.868 0.024 0.000 0.917 384 T HN 0.082 nan 8.240 nan 0.000 0.467 385 D N 3.464 123.871 120.400 0.013 0.000 2.338 385 D HA 0.053 4.693 4.640 -0.000 0.000 0.255 385 D C -0.012 176.291 176.300 0.005 0.000 1.237 385 D CA -0.110 53.894 54.000 0.006 0.000 0.883 385 D CB 0.943 41.742 40.800 -0.002 0.000 1.087 385 D HN 0.406 nan 8.370 nan 0.000 0.485 386 D N 2.969 123.375 120.400 0.010 0.000 2.332 386 D HA -0.059 4.581 4.640 -0.000 0.000 0.244 386 D C 0.940 177.243 176.300 0.005 0.000 1.136 386 D CA 0.165 54.173 54.000 0.014 0.000 0.884 386 D CB 0.060 40.874 40.800 0.025 0.000 0.906 386 D HN 0.326 nan 8.370 nan 0.000 0.520 387 R N -0.543 119.953 120.500 -0.007 0.000 2.555 387 R HA 0.100 4.440 4.340 -0.000 0.000 0.312 387 R C 0.056 176.339 176.300 -0.028 0.000 0.938 387 R CA 0.139 56.230 56.100 -0.015 0.000 1.112 387 R CB 0.654 30.948 30.300 -0.010 0.000 1.535 387 R HN 0.156 nan 8.270 nan 0.000 0.525 388 S N 1.633 117.315 115.700 -0.030 0.000 2.626 388 S HA 0.042 4.512 4.470 -0.000 0.000 0.303 388 S C 0.005 174.570 174.600 -0.059 0.000 1.256 388 S CA 0.111 58.286 58.200 -0.042 0.000 1.069 388 S CB 0.679 63.855 63.200 -0.041 0.000 0.807 388 S HN -0.043 nan 8.310 nan 0.000 0.500 389 K N 2.710 123.072 120.400 -0.063 0.000 2.340 389 K HA 0.547 4.867 4.320 -0.000 0.000 0.244 389 K C -2.947 173.598 176.600 -0.092 0.000 0.973 389 K CA -2.407 53.835 56.287 -0.074 0.000 0.828 389 K CB 1.312 33.776 32.500 -0.059 0.000 1.226 389 K HN 0.341 nan 8.250 nan 0.000 0.437 390 P HA -0.004 nan 4.420 nan 0.000 0.265 390 P C 0.444 177.675 177.300 -0.115 0.000 1.187 390 P CA 0.346 63.364 63.100 -0.136 0.000 0.766 390 P CB 0.438 32.066 31.700 -0.120 0.000 0.820 391 T N -1.527 112.938 114.554 -0.148 0.000 2.975 391 T HA 0.204 4.554 4.350 -0.000 0.000 0.261 391 T C 0.362 175.016 174.700 -0.077 0.000 0.984 391 T CA 0.019 62.061 62.100 -0.096 0.000 0.911 391 T CB 0.267 69.084 68.868 -0.086 0.000 1.127 391 T HN 0.465 nan 8.240 nan 0.000 0.514 395 Q N -0.262 119.761 119.800 0.372 0.000 2.613 395 Q HA 0.384 4.724 4.340 -0.000 0.000 0.231 395 Q C -0.992 175.178 176.000 0.283 0.000 0.879 395 Q CA -0.445 55.570 55.803 0.354 0.000 1.083 395 Q CB 1.186 30.186 28.738 0.436 0.000 1.588 395 Q HN 0.697 nan 8.270 nan 0.000 0.500 396 T N 4.071 118.771 114.554 0.242 0.000 2.828 396 T HA 0.388 4.738 4.350 -0.000 0.000 0.290 396 T C 0.850 175.730 174.700 0.299 0.000 1.019 396 T CA -0.253 61.977 62.100 0.216 0.000 1.031 396 T CB 0.578 69.546 68.868 0.165 0.000 1.001 396 T HN 0.539 nan 8.240 nan 0.000 0.531 397 I N -0.319 120.441 120.570 0.316 0.000 4.547 397 I HA 0.208 4.378 4.170 -0.000 0.000 0.303 397 I C -0.240 176.083 176.117 0.343 0.000 1.188 397 I CA 0.394 61.946 61.300 0.420 0.000 1.320 397 I CB 0.413 38.703 38.000 0.482 0.000 1.495 397 I HN 0.272 nan 8.210 nan 0.000 0.462 398 V N 3.758 123.834 119.914 0.271 0.000 2.623 398 V HA 0.403 4.523 4.120 -0.000 0.000 0.304 398 V C 0.189 176.354 176.094 0.118 0.000 1.054 398 V CA -0.688 61.725 62.300 0.189 0.000 0.882 398 V CB 2.666 34.624 31.823 0.224 0.000 1.002 398 V HN 0.058 nan 8.190 nan 0.000 0.424 399 L N 3.993 125.248 121.223 0.052 0.000 2.492 399 L HA 0.094 4.434 4.340 -0.000 0.000 0.280 399 L C 1.950 178.815 176.870 -0.008 0.000 1.240 399 L CA -0.014 54.836 54.840 0.016 0.000 0.831 399 L CB 0.411 42.458 42.059 -0.021 0.000 1.100 399 L HN 0.933 nan 8.230 nan 0.000 0.505 400 N N 0.437 119.125 118.700 -0.020 0.000 2.223 400 N HA -0.190 4.550 4.740 -0.000 0.000 0.185 400 N C 1.277 176.711 175.510 -0.128 0.000 1.016 400 N CA 1.867 54.893 53.050 -0.039 0.000 0.863 400 N CB -0.771 37.700 38.487 -0.027 0.000 0.983 400 N HN 0.820 nan 8.380 nan 0.000 0.429 401 T N -2.459 111.998 114.554 -0.162 0.000 3.007 401 T HA -0.020 4.330 4.350 -0.000 0.000 0.270 401 T C 0.395 174.810 174.700 -0.476 0.000 1.107 401 T CA 0.555 62.485 62.100 -0.284 0.000 1.118 401 T CB -0.125 68.624 68.868 -0.199 0.000 0.889 401 T HN 0.089 nan 8.240 nan 0.000 0.506 402 D N 0.504 120.707 120.400 -0.328 0.000 2.253 402 D HA 0.312 4.952 4.640 -0.000 0.000 0.249 402 D C -0.716 175.441 176.300 -0.238 0.000 1.049 402 D CA -0.617 53.190 54.000 -0.322 0.000 0.929 402 D CB 0.844 41.587 40.800 -0.095 0.000 1.176 402 D HN 0.457 nan 8.370 nan 0.000 0.437 403 W N 0.890 122.225 121.300 0.058 0.000 2.365 403 W HA 0.287 4.947 4.660 -0.000 0.000 0.316 403 W C 1.118 177.691 176.519 0.090 0.000 1.164 403 W CA -0.567 56.818 57.345 0.065 0.000 1.204 403 W CB 0.859 30.344 29.460 0.043 0.000 1.213 403 W HN 0.278 nan 8.180 nan 0.000 0.539 404 S N 1.738 117.672 115.700 0.391 0.000 3.124 404 S HA 0.974 5.443 4.470 -0.000 0.000 0.234 404 S C 0.266 175.009 174.600 0.239 0.000 1.045 404 S CA -0.063 58.307 58.200 0.283 0.000 1.200 404 S CB 1.256 64.657 63.200 0.334 0.000 1.186 404 S HN 0.834 nan 8.310 nan 0.000 0.617 405 G N -0.744 108.194 108.800 0.231 0.000 2.600 405 G HA2 0.314 4.274 3.960 -0.000 0.000 0.103 405 G HA3 0.314 4.274 3.960 -0.000 0.000 0.103 405 G C -1.642 173.469 174.900 0.352 0.000 1.090 405 G CA -0.681 44.554 45.100 0.226 0.000 1.090 405 G HN 0.511 nan 8.290 nan 0.000 0.500 406 Y N 1.566 121.939 120.300 0.122 0.000 2.299 406 Y HA 0.625 5.175 4.550 -0.000 0.000 0.335 406 Y C 1.120 177.050 175.900 0.051 0.000 1.287 406 Y CA -0.628 57.549 58.100 0.128 0.000 1.424 406 Y CB 1.243 39.809 38.460 0.178 0.000 1.326 406 Y HN 0.881 nan 8.280 nan 0.000 0.567 407 S N -0.635 115.114 115.700 0.082 0.000 2.552 407 S HA 0.885 5.355 4.470 -0.000 0.000 0.272 407 S C -0.637 173.759 174.600 -0.340 0.000 1.150 407 S CA -0.331 57.670 58.200 -0.332 0.000 0.849 407 S CB 1.879 64.957 63.200 -0.203 0.000 1.113 407 S HN 1.081 nan 8.310 nan 0.000 0.458 408 G N 0.601 108.831 108.800 -0.950 0.000 2.619 408 G HA2 0.738 4.698 3.960 -0.000 0.000 0.305 408 G HA3 0.738 4.698 3.960 -0.000 0.000 0.305 408 G C -0.870 173.553 174.900 -0.795 0.000 1.330 408 G CA -0.157 44.629 45.100 -0.524 0.000 0.789 408 G HN 1.566 nan 8.290 nan 0.000 0.487 409 S N -1.263 114.259 115.700 -0.297 0.000 2.718 409 S HA 0.939 5.409 4.470 -0.000 0.000 0.300 409 S C -0.710 174.029 174.600 0.231 0.000 1.117 409 S CA -0.465 57.637 58.200 -0.163 0.000 1.002 409 S CB 1.764 64.864 63.200 -0.166 0.000 1.092 409 S HN 2.101 nan 8.310 nan 0.000 0.542 410 F N -1.985 118.028 119.950 0.106 0.000 2.843 410 F HA 0.641 5.168 4.527 -0.000 0.000 0.323 410 F C -1.424 174.427 175.800 0.085 0.000 1.142 410 F CA -1.065 56.999 58.000 0.107 0.000 0.925 410 F CB 0.289 39.358 39.000 0.115 0.000 1.277 410 F HN 0.720 nan 8.300 nan 0.000 0.446 411 M N -0.159 119.458 119.600 0.027 0.000 2.925 411 M HA 0.220 4.700 4.480 -0.000 0.000 0.502 411 M C -0.582 175.752 176.300 0.055 0.000 2.078 411 M CA -0.327 54.876 55.300 -0.162 0.000 0.701 411 M CB 0.667 33.180 32.600 -0.145 0.000 3.681 411 M HN 0.816 nan 8.290 nan 0.000 0.489 412 W N 0.547 121.869 121.300 0.037 0.000 3.650 412 W HA -0.229 4.431 4.660 -0.000 0.000 0.286 412 W C 0.311 176.877 176.519 0.078 0.000 1.051 412 W CA 0.882 58.265 57.345 0.063 0.000 0.658 412 W CB -2.176 27.305 29.460 0.034 0.000 2.073 412 W HN 0.686 nan 8.180 nan 0.000 1.571 413 A N 1.190 124.142 122.820 0.220 0.000 2.440 413 A HA 0.341 4.661 4.320 -0.000 0.000 0.251 413 A C 0.474 178.145 177.584 0.145 0.000 1.089 413 A CA 0.082 52.225 52.037 0.177 0.000 0.779 413 A CB 0.205 19.296 19.000 0.151 0.000 1.022 413 A HN 0.154 nan 8.150 nan 0.000 0.492 414 E N 0.428 120.700 120.200 0.120 0.000 2.414 414 E HA 0.460 4.810 4.350 -0.000 0.000 0.263 414 E C 0.631 177.273 176.600 0.070 0.000 1.000 414 E CA 1.560 58.015 56.400 0.092 0.000 0.914 414 E CB 0.619 30.362 29.700 0.072 0.000 0.948 414 E HN 1.156 nan 8.360 nan 0.000 0.444 415 G N 2.022 110.853 108.800 0.053 0.000 2.336 415 G HA2 0.153 4.113 3.960 -0.000 0.000 0.300 415 G HA3 0.153 4.113 3.960 -0.000 0.000 0.300 415 G C -0.801 174.093 174.900 -0.010 0.000 1.375 415 G CA -0.793 44.321 45.100 0.022 0.000 0.885 415 G HN 0.384 nan 8.290 nan 0.000 0.599 416 E N -1.426 118.749 120.200 -0.042 0.000 2.481 416 E HA 0.371 4.721 4.350 -0.000 0.000 0.198 416 E C 0.806 177.311 176.600 -0.158 0.000 1.027 416 E CA 0.354 56.706 56.400 -0.080 0.000 0.900 416 E CB 0.253 29.918 29.700 -0.058 0.000 0.993 416 E HN 1.107 nan 8.360 nan 0.000 0.482 417 c N -1.220 117.279 118.600 -0.168 0.000 3.170 417 c HA 0.615 5.185 4.570 -0.000 0.000 0.319 417 c C -1.132 172.857 174.090 -0.169 0.000 1.260 417 c CA -1.506 54.670 56.329 -0.255 0.000 1.374 417 c CB 0.159 42.574 42.510 -0.159 0.000 1.739 417 c HN 0.100 nan 8.230 nan 0.000 0.479 418 Y N 0.865 121.125 120.300 -0.067 0.000 2.336 418 Y HA 0.503 5.053 4.550 -0.000 0.000 0.335 418 Y C 1.129 176.933 175.900 -0.159 0.000 1.046 418 Y CA -0.312 57.732 58.100 -0.092 0.000 1.198 418 Y CB 0.427 38.848 38.460 -0.065 0.000 1.182 418 Y HN 0.707 nan 8.280 nan 0.000 0.502 419 R N 2.564 123.057 120.500 -0.012 0.000 2.296 419 R HA 0.513 4.852 4.340 -0.000 0.000 0.323 419 R C -0.156 175.968 176.300 -0.295 0.000 1.067 419 R CA -0.384 55.612 56.100 -0.173 0.000 0.946 419 R CB 0.244 30.466 30.300 -0.130 0.000 0.991 419 R HN 0.866 nan 8.270 nan 0.000 0.448 420 A N 3.872 126.410 122.820 -0.470 0.000 2.462 420 A HA 0.281 4.601 4.320 -0.000 0.000 0.243 420 A C -0.355 176.961 177.584 -0.446 0.000 1.076 420 A CA -0.264 51.336 52.037 -0.728 0.000 0.773 420 A CB 0.308 18.433 19.000 -1.458 0.000 1.010 420 A HN 0.862 nan 8.150 nan 0.000 0.493 421 c N 0.281 118.653 118.600 -0.379 0.000 3.154 421 c HA 0.935 5.505 4.570 -0.000 0.000 0.312 421 c C -0.740 173.205 174.090 -0.242 0.000 1.349 421 c CA -0.447 55.567 56.329 -0.524 0.000 1.518 421 c CB 1.238 42.825 42.510 -1.538 0.000 1.934 421 c HN 1.087 nan 8.230 nan 0.000 0.462 422 F N -0.228 119.502 119.950 -0.368 0.000 2.773 422 F HA 0.777 5.304 4.527 -0.000 0.000 0.314 422 F C -1.543 174.137 175.800 -0.201 0.000 1.160 422 F CA -1.201 56.508 58.000 -0.485 0.000 0.920 422 F CB 0.859 39.250 39.000 -1.015 0.000 1.323 422 F HN 0.727 nan 8.300 nan 0.000 0.457 423 Y N -0.283 120.015 120.300 -0.003 0.000 2.562 423 Y HA 0.867 5.417 4.550 -0.000 0.000 0.345 423 Y C -2.228 173.645 175.900 -0.044 0.000 1.045 423 Y CA -2.040 56.014 58.100 -0.077 0.000 1.028 423 Y CB 1.703 40.105 38.460 -0.096 0.000 1.297 423 Y HN 0.619 nan 8.280 nan 0.000 0.463 424 V N 2.676 122.530 119.914 -0.099 0.000 2.443 424 V HA 0.268 4.387 4.120 -0.000 0.000 0.293 424 V C -0.479 175.659 176.094 0.073 0.000 1.021 424 V CA -0.952 61.251 62.300 -0.162 0.000 0.848 424 V CB 1.450 33.084 31.823 -0.315 0.000 0.998 424 V HN 0.878 nan 8.190 nan 0.000 0.424 425 E N 5.952 126.258 120.200 0.177 0.000 2.220 425 E HA 0.248 4.598 4.350 -0.000 0.000 0.272 425 E C -0.986 175.690 176.600 0.126 0.000 1.099 425 E CA -0.455 56.050 56.400 0.174 0.000 0.907 425 E CB 0.604 30.434 29.700 0.216 0.000 1.022 425 E HN 0.659 nan 8.360 nan 0.000 0.428 426 L N 6.608 127.899 121.223 0.114 0.000 2.283 426 L HA 0.335 4.675 4.340 -0.000 0.000 0.287 426 L C 0.196 177.150 176.870 0.139 0.000 1.073 426 L CA -0.509 54.417 54.840 0.144 0.000 0.822 426 L CB 0.302 42.446 42.059 0.143 0.000 1.186 426 L HN 0.548 nan 8.230 nan 0.000 0.436 427 I N 4.554 125.210 120.570 0.143 0.000 2.371 427 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 427 I C 0.205 176.377 176.117 0.091 0.000 1.028 427 I CA -0.274 61.074 61.300 0.079 0.000 1.345 427 I CB 0.588 38.586 38.000 -0.003 0.000 1.407 427 I HN 0.506 nan 8.210 nan 0.000 0.501 428 R N 4.564 125.126 120.500 0.103 0.000 2.599 428 R HA 0.769 5.108 4.340 -0.000 0.000 0.295 428 R C 0.148 176.467 176.300 0.031 0.000 0.963 428 R CA -0.496 55.678 56.100 0.123 0.000 0.883 428 R CB 1.527 31.968 30.300 0.235 0.000 1.171 428 R HN 0.917 nan 8.270 nan 0.000 0.450 429 G N 2.082 110.753 108.800 -0.216 0.000 2.451 429 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.208 429 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.208 429 G C -0.861 173.804 174.900 -0.392 0.000 1.248 429 G CA -0.872 43.938 45.100 -0.482 0.000 0.989 429 G HN 0.521 nan 8.290 nan 0.000 0.559 430 R N 1.565 121.832 120.500 -0.389 0.000 2.698 430 R HA 0.251 4.591 4.340 -0.000 0.000 0.266 430 R C -0.958 175.185 176.300 -0.262 0.000 1.026 430 R CA -0.197 55.710 56.100 -0.320 0.000 1.102 430 R CB 0.643 30.768 30.300 -0.291 0.000 0.978 430 R HN 0.447 nan 8.270 nan 0.000 0.436 431 P HA -0.055 nan 4.420 nan 0.000 0.240 431 P C 0.040 177.161 177.300 -0.297 0.000 1.190 431 P CA 0.786 63.734 63.100 -0.254 0.000 0.781 431 P CB 0.469 32.053 31.700 -0.192 0.000 0.931 432 K N 1.209 121.363 120.400 -0.410 0.000 1.973 432 K HA -0.016 4.303 4.320 -0.000 0.000 0.210 432 K C 0.906 177.327 176.600 -0.299 0.000 1.045 432 K CA 1.093 57.098 56.287 -0.471 0.000 0.937 432 K CB -0.547 31.320 32.500 -1.054 0.000 0.721 432 K HN 0.383 nan 8.250 nan 0.000 0.438 433 E N 2.546 122.555 120.200 -0.318 0.000 1.993 433 E HA 0.012 4.362 4.350 -0.000 0.000 0.271 433 E C -0.535 175.864 176.600 -0.336 0.000 1.008 433 E CA -0.214 56.054 56.400 -0.221 0.000 0.814 433 E CB 0.428 30.031 29.700 -0.163 0.000 1.098 433 E HN 0.209 nan 8.360 nan 0.000 0.407 434 D N 2.100 122.314 120.400 -0.309 0.000 2.460 434 D HA 0.006 4.646 4.640 -0.000 0.000 0.229 434 D C 0.380 176.415 176.300 -0.442 0.000 1.170 434 D CA -0.293 53.462 54.000 -0.408 0.000 0.827 434 D CB 0.289 40.871 40.800 -0.364 0.000 0.973 434 D HN 0.054 nan 8.370 nan 0.000 0.496 435 K N -0.292 119.891 120.400 -0.362 0.000 2.400 435 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 435 K C 0.906 177.291 176.600 -0.358 0.000 1.033 435 K CA 0.260 56.377 56.287 -0.284 0.000 1.021 435 K CB 0.298 32.705 32.500 -0.156 0.000 0.808 435 K HN 0.280 nan 8.250 nan 0.000 0.505 436 V N -3.477 116.110 119.914 -0.546 0.000 2.919 436 V HA 0.416 4.536 4.120 -0.000 0.000 0.316 436 V C -0.298 175.345 176.094 -0.751 0.000 1.077 436 V CA -1.151 60.760 62.300 -0.648 0.000 0.977 436 V CB 1.417 32.524 31.823 -1.194 0.000 1.039 436 V HN 0.180 nan 8.190 nan 0.000 0.441 437 W N 0.653 121.720 121.300 -0.387 0.000 3.278 437 W HA 0.361 5.021 4.660 -0.000 0.000 0.308 437 W C 0.749 177.177 176.519 -0.152 0.000 1.253 437 W CA -0.510 56.706 57.345 -0.214 0.000 1.759 437 W CB 0.267 29.677 29.460 -0.083 0.000 1.093 437 W HN 0.780 nan 8.180 nan 0.000 0.648 438 W N -0.447 120.876 121.300 0.039 0.000 2.630 438 W HA 0.802 5.462 4.660 -0.000 0.000 0.365 438 W C -0.722 175.740 176.519 -0.095 0.000 1.270 438 W CA -0.920 56.412 57.345 -0.023 0.000 1.291 438 W CB 0.145 29.587 29.460 -0.030 0.000 1.440 438 W HN -0.517 nan 8.180 nan 0.000 0.652 439 T N 1.241 116.030 114.554 0.392 0.000 3.237 439 T HA 0.388 4.738 4.350 -0.000 0.000 0.319 439 T C -1.102 173.762 174.700 0.274 0.000 1.037 439 T CA -0.234 61.999 62.100 0.222 0.000 1.048 439 T CB 1.828 70.715 68.868 0.031 0.000 1.081 439 T HN 0.590 nan 8.240 nan 0.000 0.455 440 S N 2.351 118.215 115.700 0.273 0.000 2.757 440 S HA 0.802 5.272 4.470 -0.000 0.000 0.285 440 S C -1.757 172.891 174.600 0.081 0.000 1.196 440 S CA -0.698 57.557 58.200 0.092 0.000 0.856 440 S CB 1.270 64.412 63.200 -0.096 0.000 1.212 440 S HN 0.927 nan 8.310 nan 0.000 0.516 441 N N -0.379 118.338 118.700 0.029 0.000 3.364 441 N HA 0.566 5.306 4.740 -0.000 0.000 0.294 441 N C -1.688 173.851 175.510 0.048 0.000 1.562 441 N CA -0.249 52.833 53.050 0.054 0.000 0.862 441 N CB 1.115 39.633 38.487 0.051 0.000 1.691 441 N HN 0.913 nan 8.380 nan 0.000 0.572 442 S N -0.819 114.922 115.700 0.068 0.000 2.570 442 S HA 0.711 5.181 4.470 -0.000 0.000 0.270 442 S C -1.133 173.489 174.600 0.037 0.000 1.149 442 S CA -0.860 57.382 58.200 0.070 0.000 0.837 442 S CB 1.030 64.285 63.200 0.091 0.000 1.124 442 S HN 0.527 nan 8.310 nan 0.000 0.465 443 I N 1.099 121.651 120.570 -0.030 0.000 2.648 443 I HA 0.811 4.981 4.170 -0.000 0.000 0.304 443 I C -0.848 175.213 176.117 -0.094 0.000 1.009 443 I CA -1.247 59.960 61.300 -0.156 0.000 1.114 443 I CB 1.971 39.599 38.000 -0.620 0.000 1.293 443 I HN 0.542 nan 8.210 nan 0.000 0.449 444 V N 4.036 123.905 119.914 -0.076 0.000 2.711 444 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 444 V C -0.724 175.300 176.094 -0.116 0.000 1.097 444 V CA 0.006 62.257 62.300 -0.082 0.000 0.906 444 V CB 2.077 33.870 31.823 -0.050 0.000 1.015 444 V HN 0.932 nan 8.190 nan 0.000 0.427 445 S N 7.340 122.974 115.700 -0.110 0.000 2.632 445 S HA 0.929 5.399 4.470 -0.000 0.000 0.289 445 S C -0.842 173.589 174.600 -0.282 0.000 1.115 445 S CA -0.920 57.202 58.200 -0.130 0.000 0.889 445 S CB 2.368 65.702 63.200 0.223 0.000 1.116 445 S HN 0.731 nan 8.310 nan 0.000 0.486 446 M N 0.526 119.783 119.600 -0.571 0.000 2.578 446 M HA 0.518 4.998 4.480 -0.000 0.000 0.276 446 M C -1.526 174.518 176.300 -0.428 0.000 1.245 446 M CA -0.527 54.480 55.300 -0.489 0.000 0.871 446 M CB 2.353 34.632 32.600 -0.535 0.000 1.722 446 M HN 0.820 nan 8.290 nan 0.000 0.473 447 c N 0.079 118.392 118.600 -0.478 0.000 3.044 447 c HA 0.761 5.331 4.570 -0.000 0.000 0.315 447 c C 0.450 174.085 174.090 -0.758 0.000 1.320 447 c CA -0.748 55.245 56.329 -0.559 0.000 1.582 447 c CB 2.077 44.205 42.510 -0.636 0.000 2.039 447 c HN 0.960 nan 8.230 nan 0.000 0.466 448 S N 0.886 116.116 115.700 -0.784 0.000 2.632 448 S HA 0.649 5.119 4.470 -0.000 0.000 0.267 448 S C -0.353 173.977 174.600 -0.451 0.000 1.276 448 S CA -0.193 57.411 58.200 -0.993 0.000 0.998 448 S CB 1.182 63.740 63.200 -1.070 0.000 0.953 448 S HN 0.871 nan 8.310 nan 0.000 0.547 449 S N -0.735 114.691 115.700 -0.458 0.000 2.595 449 S HA 0.619 5.089 4.470 -0.000 0.000 0.281 449 S C 0.498 174.909 174.600 -0.316 0.000 1.117 449 S CA -0.216 57.849 58.200 -0.225 0.000 0.873 449 S CB 1.517 64.655 63.200 -0.104 0.000 1.108 449 S HN 0.984 nan 8.310 nan 0.000 0.477 450 T N -0.428 113.999 114.554 -0.212 0.000 3.069 450 T HA 0.355 4.705 4.350 -0.000 0.000 0.252 450 T C 0.113 174.707 174.700 -0.177 0.000 1.053 450 T CA -0.216 61.761 62.100 -0.205 0.000 0.964 450 T CB 0.008 68.816 68.868 -0.100 0.000 1.005 450 T HN 0.382 nan 8.240 nan 0.000 0.532 451 E N 1.052 121.161 120.200 -0.153 0.000 2.232 451 E HA 0.423 4.773 4.350 -0.000 0.000 0.265 451 E C -1.002 175.526 176.600 -0.120 0.000 1.001 451 E CA -1.003 55.401 56.400 0.008 0.000 0.870 451 E CB 0.950 30.674 29.700 0.041 0.000 1.175 451 E HN 0.272 nan 8.360 nan 0.000 0.407 452 F N 1.211 121.183 119.950 0.036 0.000 2.753 452 F HA 0.247 4.774 4.527 -0.000 0.000 0.314 452 F C 0.545 176.392 175.800 0.078 0.000 1.215 452 F CA -0.395 57.644 58.000 0.065 0.000 1.243 452 F CB -0.427 38.617 39.000 0.072 0.000 1.400 452 F HN 0.056 nan 8.300 nan 0.000 0.548 453 L N 0.785 122.102 121.223 0.156 0.000 2.516 453 L HA 0.096 4.435 4.340 -0.000 0.000 0.288 453 L C 1.326 178.304 176.870 0.181 0.000 1.246 453 L CA 0.039 54.970 54.840 0.153 0.000 0.844 453 L CB 0.042 42.184 42.059 0.139 0.000 1.106 453 L HN 0.483 nan 8.230 nan 0.000 0.509 454 G N 1.212 110.108 108.800 0.161 0.000 2.476 454 G HA2 0.385 4.345 3.960 -0.000 0.000 0.269 454 G HA3 0.385 4.345 3.960 -0.000 0.000 0.269 454 G C -0.617 174.407 174.900 0.206 0.000 1.195 454 G CA -0.553 44.640 45.100 0.155 0.000 0.843 454 G HN 0.712 nan 8.290 nan 0.000 0.545 455 Q N -0.370 119.560 119.800 0.216 0.000 2.222 455 Q HA 0.530 4.869 4.340 -0.000 0.000 0.252 455 Q C -1.415 174.777 176.000 0.320 0.000 0.926 455 Q CA -0.939 55.041 55.803 0.295 0.000 0.899 455 Q CB 2.144 31.053 28.738 0.285 0.000 1.250 455 Q HN 0.481 nan 8.270 nan 0.000 0.441 456 W N 2.330 123.700 121.300 0.118 0.000 2.962 456 W HA 0.399 5.059 4.660 -0.000 0.000 0.341 456 W C -1.274 175.094 176.519 -0.252 0.000 1.155 456 W CA -1.413 55.847 57.345 -0.142 0.000 1.165 456 W CB 1.893 31.139 29.460 -0.357 0.000 1.435 456 W HN 0.920 nan 8.180 nan 0.000 0.546 457 N N 1.411 119.863 118.700 -0.414 0.000 2.473 457 N HA 0.357 5.097 4.740 -0.000 0.000 0.291 457 N C -1.583 173.363 175.510 -0.941 0.000 1.083 457 N CA -0.220 52.585 53.050 -0.408 0.000 0.951 457 N CB 0.810 39.195 38.487 -0.170 0.000 1.164 457 N HN 0.301 nan 8.380 nan 0.000 0.480 458 W N 3.748 124.952 121.300 -0.160 0.000 2.319 458 W HA 0.404 5.064 4.660 -0.000 0.000 0.288 458 W C -2.183 174.284 176.519 -0.088 0.000 0.959 458 W CA -1.481 55.760 57.345 -0.173 0.000 1.784 458 W CB 0.906 30.318 29.460 -0.080 0.000 1.848 458 W HN 0.415 nan 8.180 nan 0.000 0.408 459 P HA 0.036 nan 4.420 nan 0.000 0.276 459 P C 0.602 177.956 177.300 0.091 0.000 1.261 459 P CA 0.047 63.178 63.100 0.052 0.000 0.800 459 P CB 1.763 33.451 31.700 -0.020 0.000 1.066 460 D N 0.565 121.029 120.400 0.106 0.000 2.092 460 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 460 D C 1.474 177.843 176.300 0.116 0.000 0.994 460 D CA 2.991 57.067 54.000 0.126 0.000 0.828 460 D CB -0.643 40.247 40.800 0.150 0.000 0.963 460 D HN 0.689 nan 8.370 nan 0.000 0.450 461 G N -1.141 107.717 108.800 0.097 0.000 2.195 461 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.224 461 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.224 461 G C 0.397 175.372 174.900 0.124 0.000 0.990 461 G CA 0.460 45.614 45.100 0.090 0.000 0.639 461 G HN 0.759 nan 8.290 nan 0.000 0.514 462 A N -0.291 122.632 122.820 0.172 0.000 2.304 462 A HA 0.775 5.094 4.320 -0.000 0.000 0.271 462 A C 0.078 177.775 177.584 0.188 0.000 1.091 462 A CA 0.073 52.260 52.037 0.250 0.000 0.812 462 A CB 0.634 19.860 19.000 0.378 0.000 1.056 462 A HN 0.239 nan 8.150 nan 0.000 0.489 463 K N 1.690 122.175 120.400 0.142 0.000 2.334 463 K HA 0.390 4.710 4.320 -0.000 0.000 0.265 463 K C 0.369 177.000 176.600 0.052 0.000 1.039 463 K CA -0.377 55.837 56.287 -0.121 0.000 0.920 463 K CB 0.773 32.831 32.500 -0.737 0.000 1.160 463 K HN 0.528 nan 8.250 nan 0.000 0.451 464 I N 2.551 123.209 120.570 0.145 0.000 2.502 464 I HA -0.275 3.895 4.170 -0.000 0.000 0.258 464 I C 1.580 177.828 176.117 0.218 0.000 1.172 464 I CA 1.408 62.851 61.300 0.237 0.000 1.430 464 I CB 0.063 38.097 38.000 0.057 0.000 1.086 464 I HN 0.608 nan 8.210 nan 0.000 0.440 465 E N -0.851 119.365 120.200 0.027 0.000 2.268 465 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 465 E C 1.773 178.477 176.600 0.173 0.000 0.995 465 E CA 1.100 57.520 56.400 0.035 0.000 0.836 465 E CB -0.726 28.934 29.700 -0.066 0.000 0.763 465 E HN 0.476 nan 8.360 nan 0.000 0.491 466 Y N -0.132 120.246 120.300 0.130 0.000 2.457 466 Y HA 0.047 4.597 4.550 -0.000 0.000 0.292 466 Y C 1.544 177.397 175.900 -0.079 0.000 1.125 466 Y CA -0.119 57.959 58.100 -0.037 0.000 1.254 466 Y CB -0.549 37.788 38.460 -0.206 0.000 1.012 466 Y HN -0.029 nan 8.280 nan 0.000 0.555 467 F N -0.649 119.473 119.950 0.286 0.000 2.765 467 F HA 0.166 4.693 4.527 -0.000 0.000 0.302 467 F C 0.812 176.735 175.800 0.206 0.000 1.111 467 F CA -0.227 57.938 58.000 0.275 0.000 1.359 467 F CB -0.469 38.784 39.000 0.422 0.000 1.097 467 F HN -0.189 nan 8.300 nan 0.000 0.577 468 L N 0.000 121.403 121.223 0.299 0.000 2.949 468 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 468 L CA 0.000 54.960 54.840 0.200 0.000 0.813 468 L CB 0.000 42.143 42.059 0.140 0.000 0.961 468 L HN 0.000 nan 8.230 nan 0.000 0.502