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 2gci_1_D DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.542 177.584 -0.070 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.049 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.036 0.000 0.831 3 G N 0.455 109.197 108.800 -0.097 0.000 2.553 3 G HA2 0.467 4.427 3.960 0.000 0.000 0.278 3 G HA3 0.467 4.427 3.960 0.000 0.000 0.278 3 G C -0.809 173.943 174.900 -0.247 0.000 1.349 3 G CA -0.310 44.686 45.100 -0.173 0.000 1.037 3 G HN 0.017 nan 8.290 nan 0.000 0.508 4 P HA -0.017 nan 4.420 nan 0.000 0.226 4 P C 1.273 178.421 177.300 -0.253 0.000 1.153 4 P CA 0.857 63.709 63.100 -0.413 0.000 0.777 4 P CB 0.196 31.450 31.700 -0.744 0.000 0.794 5 L N -0.911 120.180 121.223 -0.220 0.000 2.628 5 L HA 0.170 4.510 4.340 0.000 0.000 0.229 5 L C 1.146 177.956 176.870 -0.100 0.000 1.137 5 L CA -0.235 54.523 54.840 -0.135 0.000 0.909 5 L CB -0.325 41.666 42.059 -0.112 0.000 1.137 5 L HN -0.090 nan 8.230 nan 0.000 0.470 6 S N 0.522 116.161 115.700 -0.101 0.000 2.575 6 S HA 0.215 4.685 4.470 0.000 0.000 0.295 6 S C 1.323 175.881 174.600 -0.069 0.000 1.267 6 S CA 1.083 59.239 58.200 -0.072 0.000 1.074 6 S CB 0.339 63.499 63.200 -0.067 0.000 0.829 6 S HN 0.701 nan 8.310 nan 0.000 0.497 7 G N 3.074 111.837 108.800 -0.063 0.000 2.232 7 G HA2 -0.219 3.741 3.960 0.000 0.000 0.226 7 G HA3 -0.219 3.741 3.960 0.000 0.000 0.226 7 G C -0.059 174.773 174.900 -0.114 0.000 0.996 7 G CA 0.048 45.099 45.100 -0.082 0.000 0.626 7 G HN 0.972 nan 8.290 nan 0.000 0.509 8 L N 2.237 123.402 121.223 -0.096 0.000 2.360 8 L HA 0.679 5.019 4.340 0.000 0.000 0.276 8 L C 0.666 177.461 176.870 -0.125 0.000 1.121 8 L CA -0.347 54.428 54.840 -0.108 0.000 0.845 8 L CB 0.447 42.461 42.059 -0.075 0.000 1.143 8 L HN 0.240 nan 8.230 nan 0.000 0.452 9 R N 4.273 124.642 120.500 -0.219 0.000 2.255 9 R HA 0.603 4.943 4.340 0.000 0.000 0.326 9 R C -1.344 174.881 176.300 -0.125 0.000 0.986 9 R CA -0.630 55.272 56.100 -0.331 0.000 0.847 9 R CB 1.416 31.165 30.300 -0.918 0.000 1.111 9 R HN 0.462 nan 8.270 nan 0.000 0.452 10 V N 4.332 124.301 119.914 0.091 0.000 2.483 10 V HA 0.277 4.397 4.120 0.000 0.000 0.297 10 V C -0.269 175.954 176.094 0.215 0.000 1.027 10 V CA -0.873 61.490 62.300 0.105 0.000 0.855 10 V CB 2.077 33.935 31.823 0.059 0.000 0.995 10 V HN 0.435 nan 8.190 nan 0.000 0.424 11 V N 4.441 124.452 119.914 0.161 0.000 2.394 11 V HA 0.429 4.549 4.120 0.000 0.000 0.282 11 V C 0.110 176.224 176.094 0.033 0.000 1.031 11 V CA -0.365 62.013 62.300 0.129 0.000 0.881 11 V CB 1.599 33.498 31.823 0.126 0.000 0.982 11 V HN 0.952 nan 8.190 nan 0.000 0.451 12 E N 5.385 125.598 120.200 0.022 0.000 2.165 12 E HA 0.447 4.797 4.350 0.000 0.000 0.266 12 E C -1.337 175.258 176.600 -0.007 0.000 0.889 12 E CA -0.702 55.692 56.400 -0.010 0.000 0.756 12 E CB 1.440 31.140 29.700 0.000 0.000 1.131 12 E HN 0.626 nan 8.360 nan 0.000 0.411 13 L N 3.726 124.931 121.223 -0.031 0.000 2.278 13 L HA 0.371 4.711 4.340 0.000 0.000 0.287 13 L C 0.530 177.403 176.870 0.005 0.000 1.072 13 L CA -0.704 54.153 54.840 0.029 0.000 0.819 13 L CB 1.086 43.192 42.059 0.078 0.000 1.176 13 L HN 0.656 nan 8.230 nan 0.000 0.435 14 A N 3.396 126.261 122.820 0.074 0.000 2.591 14 A HA 0.404 4.724 4.320 0.000 0.000 0.244 14 A C 0.696 178.325 177.584 0.075 0.000 1.031 14 A CA 0.916 52.994 52.037 0.069 0.000 0.767 14 A CB -0.201 18.851 19.000 0.086 0.000 0.942 14 A HN 0.901 nan 8.150 nan 0.000 0.514 15 G N 0.635 109.444 108.800 0.014 0.000 3.021 15 G HA2 0.628 4.588 3.960 0.000 0.000 0.290 15 G HA3 0.628 4.588 3.960 0.000 0.000 0.290 15 G C -1.017 173.912 174.900 0.048 0.000 1.291 15 G CA -0.708 44.392 45.100 0.000 0.000 0.834 15 G HN 0.731 nan 8.290 nan 0.000 0.564 16 I N 0.036 120.636 120.570 0.051 0.000 2.582 16 I HA 0.586 4.756 4.170 0.000 0.000 0.292 16 I C 0.871 177.042 176.117 0.090 0.000 1.066 16 I CA 0.480 61.832 61.300 0.086 0.000 1.053 16 I CB 2.027 40.091 38.000 0.106 0.000 1.241 16 I HN 1.233 nan 8.210 nan 0.000 0.421 17 G N 6.545 115.430 108.800 0.141 0.000 2.588 17 G HA2 -0.213 3.747 3.960 0.000 0.000 0.273 17 G HA3 -0.213 3.747 3.960 0.000 0.000 0.273 17 G C -1.872 173.170 174.900 0.236 0.000 1.211 17 G CA 0.217 45.414 45.100 0.161 0.000 0.958 17 G HN 0.453 nan 8.290 nan 0.000 0.543 18 P HA 0.010 nan 4.420 nan 0.000 0.217 18 P C 2.046 179.462 177.300 0.193 0.000 1.151 18 P CA 2.664 65.873 63.100 0.180 0.000 0.828 18 P CB -0.706 31.009 31.700 0.025 0.000 0.788 19 G N 1.716 110.568 108.800 0.086 0.000 2.480 19 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 19 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 19 G C -0.546 174.398 174.900 0.074 0.000 1.200 19 G CA 1.222 46.346 45.100 0.040 0.000 0.782 19 G HN 0.294 nan 8.290 nan 0.000 0.554 20 P HA -0.109 nan 4.420 nan 0.000 0.220 20 P C 1.180 178.554 177.300 0.124 0.000 1.148 20 P CA 1.532 64.688 63.100 0.094 0.000 0.803 20 P CB -0.103 31.657 31.700 0.100 0.000 0.782 21 H N 0.733 119.868 119.070 0.108 0.000 2.357 21 H HA 0.044 4.600 4.556 0.000 0.000 0.301 21 H C 1.996 177.359 175.328 0.060 0.000 1.082 21 H CA 1.973 58.068 56.048 0.078 0.000 1.342 21 H CB -0.622 29.241 29.762 0.168 0.000 1.389 21 H HN -0.015 nan 8.280 nan 0.000 0.511 22 A N 1.014 123.884 122.820 0.083 0.000 1.865 22 A HA -0.138 4.182 4.320 0.000 0.000 0.217 22 A C 2.633 180.199 177.584 -0.030 0.000 1.191 22 A CA 2.029 54.074 52.037 0.013 0.000 0.623 22 A CB -1.519 17.520 19.000 0.064 0.000 0.826 22 A HN 0.617 nan 8.150 nan 0.000 0.444 23 A N -0.778 122.039 122.820 -0.005 0.000 1.908 23 A HA -0.191 4.129 4.320 0.000 0.000 0.218 23 A C 2.301 179.867 177.584 -0.031 0.000 1.181 23 A CA 2.060 54.091 52.037 -0.010 0.000 0.627 23 A CB -0.571 18.432 19.000 0.005 0.000 0.818 23 A HN 0.648 nan 8.150 nan 0.000 0.445 24 M N -0.591 118.978 119.600 -0.053 0.000 2.086 24 M HA -0.134 4.346 4.480 0.000 0.000 0.261 24 M C 1.952 178.193 176.300 -0.097 0.000 1.067 24 M CA 1.920 57.179 55.300 -0.069 0.000 1.116 24 M CB -0.305 32.236 32.600 -0.098 0.000 1.348 24 M HN 0.437 nan 8.290 nan 0.000 0.407 25 I N 0.311 120.786 120.570 -0.160 0.000 2.252 25 I HA -0.322 3.848 4.170 0.000 0.000 0.245 25 I C 2.227 178.306 176.117 -0.064 0.000 1.102 25 I CA 1.022 62.244 61.300 -0.130 0.000 1.385 25 I CB -0.406 37.493 38.000 -0.167 0.000 1.064 25 I HN 0.352 nan 8.210 nan 0.000 0.414 26 L N 0.422 121.613 121.223 -0.053 0.000 1.990 26 L HA -0.211 4.129 4.340 0.000 0.000 0.213 26 L C 2.687 179.537 176.870 -0.033 0.000 1.072 26 L CA 1.884 56.703 54.840 -0.035 0.000 0.755 26 L CB -1.306 40.740 42.059 -0.022 0.000 0.889 26 L HN 0.348 nan 8.230 nan 0.000 0.432 27 G N -0.688 108.097 108.800 -0.026 0.000 2.418 27 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 27 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 27 G C 1.113 175.996 174.900 -0.029 0.000 1.158 27 G CA 0.842 45.931 45.100 -0.018 0.000 0.771 27 G HN 0.301 nan 8.290 nan 0.000 0.545 28 D N 0.669 121.048 120.400 -0.034 0.000 2.133 28 D HA -0.098 4.542 4.640 0.000 0.000 0.195 28 D C 2.306 178.586 176.300 -0.032 0.000 0.997 28 D CA 0.663 54.644 54.000 -0.032 0.000 0.840 28 D CB -0.273 40.512 40.800 -0.026 0.000 0.947 28 D HN 0.277 nan 8.370 nan 0.000 0.452 29 L N -0.955 120.244 121.223 -0.040 0.000 2.627 29 L HA 0.203 4.543 4.340 0.000 0.000 0.233 29 L C 1.483 178.284 176.870 -0.115 0.000 1.144 29 L CA 0.551 55.343 54.840 -0.080 0.000 0.892 29 L CB -0.106 41.898 42.059 -0.092 0.000 1.039 29 L HN 0.207 nan 8.230 nan 0.000 0.442 30 G N -0.403 108.352 108.800 -0.075 0.000 2.231 30 G HA2 -0.200 3.760 3.960 0.000 0.000 0.206 30 G HA3 -0.200 3.760 3.960 0.000 0.000 0.206 30 G C 0.495 175.367 174.900 -0.047 0.000 0.996 30 G CA -0.152 44.907 45.100 -0.068 0.000 0.645 30 G HN 0.441 nan 8.290 nan 0.000 0.498 31 A N 0.449 123.244 122.820 -0.042 0.000 2.531 31 A HA 0.439 4.759 4.320 0.000 0.000 0.236 31 A C 0.329 177.925 177.584 0.020 0.000 1.062 31 A CA 0.958 52.983 52.037 -0.019 0.000 0.760 31 A CB 0.269 19.258 19.000 -0.017 0.000 0.995 31 A HN 0.428 nan 8.150 nan 0.000 0.501 32 D N 2.300 122.733 120.400 0.054 0.000 2.441 32 D HA 0.368 5.008 4.640 0.000 0.000 0.221 32 D C -0.704 175.726 176.300 0.216 0.000 1.156 32 D CA 0.079 54.166 54.000 0.145 0.000 0.896 32 D CB 0.242 41.164 40.800 0.204 0.000 1.028 32 D HN 0.116 nan 8.370 nan 0.000 0.509 33 V N 4.002 124.001 119.914 0.141 0.000 2.394 33 V HA 0.342 4.462 4.120 0.000 0.000 0.282 33 V C 0.245 176.396 176.094 0.096 0.000 1.031 33 V CA -0.845 61.531 62.300 0.126 0.000 0.881 33 V CB 1.846 33.703 31.823 0.057 0.000 0.982 33 V HN 0.256 nan 8.190 nan 0.000 0.451 34 V N 5.760 125.732 119.914 0.097 0.000 2.350 34 V HA 0.467 4.587 4.120 0.000 0.000 0.285 34 V C 0.143 176.230 176.094 -0.012 0.000 1.014 34 V CA -0.683 61.601 62.300 -0.028 0.000 0.831 34 V CB 1.419 33.109 31.823 -0.222 0.000 1.000 34 V HN 0.871 nan 8.190 nan 0.000 0.433 35 R N 5.284 125.772 120.500 -0.019 0.000 2.229 35 R HA 0.619 4.959 4.340 0.000 0.000 0.328 35 R C -0.963 175.331 176.300 -0.011 0.000 1.009 35 R CA -0.490 55.608 56.100 -0.004 0.000 0.864 35 R CB 0.815 31.118 30.300 0.004 0.000 1.085 35 R HN 0.693 nan 8.270 nan 0.000 0.453 36 I N 4.005 124.578 120.570 0.005 0.000 2.321 36 I HA 0.222 4.392 4.170 0.000 0.000 0.291 36 I C 0.040 176.178 176.117 0.036 0.000 0.998 36 I CA -0.394 60.912 61.300 0.010 0.000 1.227 36 I CB 1.419 39.431 38.000 0.019 0.000 1.368 36 I HN 0.574 nan 8.210 nan 0.000 0.466 37 D N 5.440 125.856 120.400 0.027 0.000 2.414 37 D HA 0.406 5.046 4.640 0.000 0.000 0.241 37 D C -0.105 176.214 176.300 0.031 0.000 1.008 37 D CA -0.709 53.315 54.000 0.041 0.000 1.001 37 D CB 1.812 42.631 40.800 0.032 0.000 1.277 37 D HN 0.328 nan 8.370 nan 0.000 0.538 38 R N 0.832 121.353 120.500 0.034 0.000 2.756 38 R HA 0.195 4.535 4.340 0.000 0.000 0.264 38 R C -1.771 174.536 176.300 0.012 0.000 1.026 38 R CA -0.681 55.430 56.100 0.019 0.000 1.121 38 R CB -0.103 30.207 30.300 0.018 0.000 0.999 38 R HN 0.260 nan 8.270 nan 0.000 0.449 46 S N 5.734 121.436 115.700 0.004 0.000 2.560 46 S HA 0.349 4.819 4.470 0.000 0.000 0.284 46 S C 0.852 175.454 174.600 0.004 0.000 1.327 46 S CA -0.087 58.117 58.200 0.006 0.000 1.055 46 S CB 0.637 63.844 63.200 0.012 0.000 0.868 46 S HN 0.763 nan 8.310 nan 0.000 0.506 47 R N 1.755 122.257 120.500 0.003 0.000 2.427 47 R HA 0.128 4.468 4.340 0.000 0.000 0.262 47 R C -0.564 175.736 176.300 -0.001 0.000 0.943 47 R CA -0.210 55.889 56.100 -0.002 0.000 1.081 47 R CB 0.040 30.336 30.300 -0.007 0.000 1.166 47 R HN 0.550 nan 8.270 nan 0.000 0.534 48 D N 0.825 121.230 120.400 0.008 0.000 2.374 48 D HA 0.123 4.763 4.640 0.000 0.000 0.240 48 D C 0.941 177.250 176.300 0.016 0.000 1.229 48 D CA -0.164 53.843 54.000 0.013 0.000 0.895 48 D CB 1.291 42.105 40.800 0.023 0.000 1.046 48 D HN 0.144 nan 8.370 nan 0.000 0.498 49 A N 4.545 127.371 122.820 0.009 0.000 2.125 49 A HA -0.180 4.140 4.320 0.000 0.000 0.219 49 A C 2.045 179.650 177.584 0.035 0.000 1.156 49 A CA 0.902 52.952 52.037 0.020 0.000 0.671 49 A CB -0.526 18.476 19.000 0.003 0.000 0.794 49 A HN 0.733 nan 8.150 nan 0.000 0.459 50 M N -0.559 119.060 119.600 0.031 0.000 2.374 50 M HA 0.014 4.494 4.480 0.000 0.000 0.264 50 M C 0.598 176.921 176.300 0.037 0.000 1.067 50 M CA 1.269 56.594 55.300 0.041 0.000 1.103 50 M CB -0.169 32.466 32.600 0.058 0.000 1.402 50 M HN 0.363 nan 8.290 nan 0.000 0.444 51 L N 1.743 122.986 121.223 0.034 0.000 2.715 51 L HA 0.127 4.467 4.340 0.000 0.000 0.238 51 L C 0.853 177.738 176.870 0.025 0.000 1.212 51 L CA -0.424 54.432 54.840 0.028 0.000 1.017 51 L CB -1.088 40.986 42.059 0.025 0.000 1.269 51 L HN 0.329 nan 8.230 nan 0.000 0.452 52 R N -0.548 119.971 120.500 0.032 0.000 2.707 52 R HA 0.088 4.428 4.340 0.000 0.000 0.270 52 R C -0.077 176.232 176.300 0.017 0.000 1.083 52 R CA -0.538 55.582 56.100 0.034 0.000 1.182 52 R CB 0.136 30.475 30.300 0.066 0.000 1.084 52 R HN 0.106 nan 8.270 nan 0.000 0.528 53 N N 0.514 119.219 118.700 0.008 0.000 2.738 53 N HA -0.147 4.593 4.740 0.000 0.000 0.249 53 N C -1.176 174.337 175.510 0.005 0.000 1.047 53 N CA 1.059 54.108 53.050 -0.001 0.000 0.707 53 N CB -0.516 37.965 38.487 -0.009 0.000 0.937 53 N HN 0.585 nan 8.380 nan 0.000 0.545 54 R N 0.180 120.683 120.500 0.005 0.000 2.912 54 R HA 0.545 4.885 4.340 0.000 0.000 0.262 54 R C 0.390 176.687 176.300 -0.005 0.000 1.057 54 R CA -0.664 55.440 56.100 0.005 0.000 0.981 54 R CB 1.477 31.779 30.300 0.004 0.000 1.201 54 R HN 0.091 nan 8.270 nan 0.000 0.484 55 R N 0.780 121.270 120.500 -0.017 0.000 2.562 55 R HA 0.535 4.875 4.340 0.000 0.000 0.298 55 R C -0.354 175.917 176.300 -0.048 0.000 0.961 55 R CA -0.851 55.224 56.100 -0.042 0.000 0.881 55 R CB 1.464 31.718 30.300 -0.075 0.000 1.159 55 R HN 0.326 nan 8.270 nan 0.000 0.450 56 I N 4.487 125.032 120.570 -0.042 0.000 2.354 56 I HA 0.316 4.486 4.170 0.000 0.000 0.292 56 I C 0.347 176.435 176.117 -0.047 0.000 0.989 56 I CA -0.633 60.646 61.300 -0.034 0.000 1.188 56 I CB 1.372 39.362 38.000 -0.017 0.000 1.342 56 I HN 0.397 nan 8.210 nan 0.000 0.457 57 V N 3.001 122.884 119.914 -0.051 0.000 3.126 57 V HA 0.785 4.905 4.120 0.000 0.000 0.314 57 V C -0.323 175.752 176.094 -0.031 0.000 1.138 57 V CA -0.455 61.813 62.300 -0.054 0.000 1.034 57 V CB 2.190 33.962 31.823 -0.086 0.000 1.075 57 V HN 0.719 nan 8.190 nan 0.000 0.442 58 T N 1.341 115.878 114.554 -0.028 0.000 2.861 58 T HA 0.878 5.228 4.350 0.000 0.000 0.287 58 T C -0.589 174.103 174.700 -0.012 0.000 1.003 58 T CA 0.217 62.309 62.100 -0.013 0.000 0.977 58 T CB 1.289 70.151 68.868 -0.011 0.000 0.996 58 T HN 1.641 nan 8.240 nan 0.000 0.448 59 A N 2.557 125.375 122.820 -0.003 0.000 2.566 59 A HA 0.587 4.907 4.320 0.000 0.000 0.297 59 A C -1.381 176.204 177.584 0.002 0.000 1.059 59 A CA -0.742 51.294 52.037 -0.002 0.000 0.691 59 A CB 1.452 20.451 19.000 -0.001 0.000 1.282 59 A HN 0.656 nan 8.150 nan 0.000 0.401 60 D N 2.566 122.966 120.400 -0.001 0.000 2.374 60 D HA 0.290 4.930 4.640 0.000 0.000 0.240 60 D C 0.843 177.142 176.300 -0.002 0.000 1.229 60 D CA -0.145 53.853 54.000 -0.003 0.000 0.895 60 D CB 0.469 41.267 40.800 -0.005 0.000 1.046 60 D HN 0.447 nan 8.370 nan 0.000 0.498 61 L N 3.243 124.464 121.223 -0.003 0.000 2.465 61 L HA -0.038 4.302 4.340 0.000 0.000 0.224 61 L C 2.114 178.981 176.870 -0.005 0.000 1.145 61 L CA 0.514 55.354 54.840 0.001 0.000 0.834 61 L CB -0.081 41.980 42.059 0.004 0.000 0.944 61 L HN 0.202 nan 8.230 nan 0.000 0.451 62 K N 0.121 120.513 120.400 -0.013 0.000 2.400 62 K HA 0.075 4.395 4.320 0.000 0.000 0.194 62 K C 1.055 177.652 176.600 -0.005 0.000 1.033 62 K CA 0.181 56.460 56.287 -0.013 0.000 1.021 62 K CB 0.279 32.767 32.500 -0.019 0.000 0.808 62 K HN 0.336 nan 8.250 nan 0.000 0.505 63 S N 0.594 116.292 115.700 -0.003 0.000 2.616 63 S HA 0.167 4.637 4.470 0.000 0.000 0.277 63 S C 0.681 175.283 174.600 0.003 0.000 1.234 63 S CA -0.710 57.489 58.200 -0.000 0.000 1.028 63 S CB 1.715 64.915 63.200 -0.001 0.000 0.988 63 S HN -0.058 nan 8.310 nan 0.000 0.522 64 D N 1.194 121.597 120.400 0.004 0.000 2.106 64 D HA -0.192 4.448 4.640 0.000 0.000 0.191 64 D C 1.844 178.149 176.300 0.007 0.000 0.997 64 D CA 1.835 55.839 54.000 0.006 0.000 0.834 64 D CB -0.305 40.498 40.800 0.005 0.000 0.956 64 D HN 0.837 nan 8.370 nan 0.000 0.448 65 Q N 0.204 120.007 119.800 0.005 0.000 2.050 65 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 65 Q C 2.186 178.189 176.000 0.005 0.000 0.980 65 Q CA 1.804 57.609 55.803 0.004 0.000 0.840 65 Q CB -0.370 28.369 28.738 0.001 0.000 0.898 65 Q HN 0.277 nan 8.270 nan 0.000 0.424 66 G N 1.406 110.208 108.800 0.004 0.000 2.418 66 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 66 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 66 G C 1.366 176.273 174.900 0.012 0.000 1.158 66 G CA 0.916 46.019 45.100 0.005 0.000 0.771 66 G HN 0.394 nan 8.290 nan 0.000 0.545 67 L N 0.611 121.843 121.223 0.015 0.000 2.012 67 L HA 0.002 4.342 4.340 0.000 0.000 0.210 67 L C 2.579 179.465 176.870 0.026 0.000 1.073 67 L CA 2.626 57.480 54.840 0.023 0.000 0.748 67 L CB -0.662 41.411 42.059 0.023 0.000 0.891 67 L HN 0.419 nan 8.230 nan 0.000 0.431 68 E N -0.641 119.571 120.200 0.020 0.000 2.058 68 E HA -0.243 4.107 4.350 0.000 0.000 0.194 68 E C 2.260 178.873 176.600 0.022 0.000 0.997 68 E CA 1.721 58.134 56.400 0.021 0.000 0.801 68 E CB -0.233 29.476 29.700 0.016 0.000 0.746 68 E HN 0.582 nan 8.360 nan 0.000 0.450 69 L N 0.173 121.405 121.223 0.014 0.000 2.046 69 L HA -0.183 4.157 4.340 0.000 0.000 0.208 69 L C 2.621 179.500 176.870 0.015 0.000 1.077 69 L CA 1.099 55.944 54.840 0.009 0.000 0.747 69 L CB -0.438 41.619 42.059 -0.005 0.000 0.896 69 L HN 0.217 nan 8.230 nan 0.000 0.432 70 A N -0.087 122.746 122.820 0.021 0.000 1.902 70 A HA -0.163 4.157 4.320 0.000 0.000 0.217 70 A C 2.244 179.860 177.584 0.052 0.000 1.181 70 A CA 1.363 53.420 52.037 0.032 0.000 0.623 70 A CB -0.671 18.351 19.000 0.037 0.000 0.818 70 A HN 0.358 nan 8.150 nan 0.000 0.443 71 L N -0.910 120.344 121.223 0.052 0.000 2.141 71 L HA -0.181 4.159 4.340 0.000 0.000 0.209 71 L C 2.555 179.466 176.870 0.068 0.000 1.094 71 L CA 1.492 56.370 54.840 0.063 0.000 0.763 71 L CB -0.308 41.784 42.059 0.055 0.000 0.908 71 L HN 0.369 nan 8.230 nan 0.000 0.437 72 K N -0.462 119.974 120.400 0.060 0.000 2.097 72 K HA -0.175 4.145 4.320 0.000 0.000 0.205 72 K C 2.011 178.676 176.600 0.108 0.000 1.050 72 K CA 0.962 57.290 56.287 0.069 0.000 0.938 72 K CB -0.102 32.427 32.500 0.048 0.000 0.718 72 K HN 0.071 nan 8.250 nan 0.000 0.442 73 L N 1.327 122.612 121.223 0.103 0.000 2.027 73 L HA -0.124 4.216 4.340 0.000 0.000 0.206 73 L C 1.957 178.990 176.870 0.271 0.000 1.074 73 L CA 1.490 56.434 54.840 0.173 0.000 0.745 73 L CB -0.186 41.905 42.059 0.054 0.000 0.898 73 L HN 0.127 nan 8.230 nan 0.000 0.433 74 I N -0.804 119.866 120.570 0.168 0.000 2.226 74 I HA -0.310 3.860 4.170 0.000 0.000 0.245 74 I C 2.549 178.733 176.117 0.112 0.000 1.100 74 I CA 1.089 62.472 61.300 0.138 0.000 1.374 74 I CB -0.627 37.431 38.000 0.096 0.000 1.057 74 I HN 0.308 nan 8.210 nan 0.000 0.413 75 A N 0.293 123.174 122.820 0.102 0.000 1.997 75 A HA -0.232 4.088 4.320 0.000 0.000 0.221 75 A C 2.158 179.778 177.584 0.061 0.000 1.172 75 A CA 1.763 53.845 52.037 0.075 0.000 0.645 75 A CB -0.282 18.759 19.000 0.070 0.000 0.813 75 A HN 0.235 nan 8.150 nan 0.000 0.454 76 K N -1.014 119.448 120.400 0.103 0.000 2.358 76 K HA 0.393 4.713 4.320 0.000 0.000 0.197 76 K C 0.550 177.044 176.600 -0.177 0.000 1.025 76 K CA 0.682 56.989 56.287 0.034 0.000 1.104 76 K CB 0.070 32.689 32.500 0.198 0.000 0.855 76 K HN 0.458 nan 8.250 nan 0.000 0.531 77 A N 0.937 123.698 122.820 -0.098 0.000 2.279 77 A HA 0.281 4.602 4.320 0.000 0.000 0.303 77 A C 0.447 177.941 177.584 -0.149 0.000 1.108 77 A CA -0.413 51.496 52.037 -0.214 0.000 0.830 77 A CB 0.667 19.683 19.000 0.026 0.000 1.106 77 A HN 0.011 nan 8.150 nan 0.000 0.493 78 D N -0.493 119.807 120.400 -0.168 0.000 2.262 78 D HA 0.123 4.763 4.640 0.000 0.000 0.212 78 D C -0.039 176.232 176.300 -0.048 0.000 0.964 78 D CA 1.368 55.307 54.000 -0.101 0.000 0.875 78 D CB 0.451 41.183 40.800 -0.114 0.000 0.996 78 D HN 0.221 nan 8.370 nan 0.000 0.497 79 V N 1.555 121.443 119.914 -0.043 0.000 2.709 79 V HA 0.347 4.467 4.120 0.000 0.000 0.308 79 V C -0.850 175.224 176.094 -0.034 0.000 1.062 79 V CA -0.945 61.339 62.300 -0.026 0.000 0.901 79 V CB 2.814 34.625 31.823 -0.021 0.000 1.003 79 V HN -0.072 nan 8.190 nan 0.000 0.425 80 L N 5.464 126.633 121.223 -0.090 0.000 2.341 80 L HA 0.706 5.046 4.340 0.000 0.000 0.278 80 L C -0.826 175.919 176.870 -0.208 0.000 1.005 80 L CA 0.020 54.758 54.840 -0.169 0.000 0.818 80 L CB 1.422 43.290 42.059 -0.319 0.000 1.259 80 L HN 0.575 nan 8.230 nan 0.000 0.418 81 I N 4.363 124.843 120.570 -0.149 0.000 2.354 81 I HA 0.482 4.652 4.170 0.000 0.000 0.292 81 I C -0.793 175.217 176.117 -0.178 0.000 0.989 81 I CA -0.431 60.788 61.300 -0.135 0.000 1.188 81 I CB 1.720 39.677 38.000 -0.072 0.000 1.342 81 I HN 0.727 nan 8.210 nan 0.000 0.457 82 E N 4.323 124.406 120.200 -0.195 0.000 2.314 82 E HA 0.667 5.017 4.350 0.000 0.000 0.272 82 E C -0.396 176.053 176.600 -0.251 0.000 0.884 82 E CA -0.885 55.362 56.400 -0.254 0.000 0.753 82 E CB 1.843 31.451 29.700 -0.153 0.000 1.213 82 E HN 0.555 nan 8.360 nan 0.000 0.432 83 G N 2.095 110.619 108.800 -0.459 0.000 4.250 83 G HA2 0.223 4.183 3.960 0.000 0.000 0.295 83 G HA3 0.223 4.183 3.960 0.000 0.000 0.295 83 G C -0.906 173.829 174.900 -0.275 0.000 1.081 83 G CA -0.331 44.589 45.100 -0.299 0.000 0.854 83 G HN 0.390 nan 8.290 nan 0.000 0.524 84 Y N 0.308 120.627 120.300 0.031 0.000 2.334 84 Y HA 0.467 5.017 4.550 0.000 0.000 0.325 84 Y C 1.300 177.222 175.900 0.036 0.000 1.308 84 Y CA -1.078 57.042 58.100 0.033 0.000 1.389 84 Y CB 0.867 39.352 38.460 0.041 0.000 1.328 84 Y HN -0.109 nan 8.280 nan 0.000 0.532 85 R N 1.552 122.181 120.500 0.215 0.000 2.638 85 R HA 0.027 4.367 4.340 0.000 0.000 0.268 85 R C -2.479 173.902 176.300 0.135 0.000 1.006 85 R CA -1.397 54.787 56.100 0.141 0.000 1.088 85 R CB -0.384 29.987 30.300 0.118 0.000 0.950 85 R HN 0.275 nan 8.270 nan 0.000 0.419 86 P HA -0.095 nan 4.420 nan 0.000 0.263 86 P C 0.563 177.911 177.300 0.081 0.000 1.175 86 P CA 1.174 64.328 63.100 0.090 0.000 0.761 86 P CB 0.560 32.302 31.700 0.070 0.000 0.794 87 G N 1.044 109.891 108.800 0.078 0.000 2.213 87 G HA2 -0.292 3.668 3.960 0.000 0.000 0.236 87 G HA3 -0.292 3.668 3.960 0.000 0.000 0.236 87 G C 0.985 175.924 174.900 0.065 0.000 0.991 87 G CA 0.201 45.336 45.100 0.058 0.000 0.629 87 G HN 0.400 nan 8.290 nan 0.000 0.517 88 V N 1.949 121.918 119.914 0.091 0.000 2.270 88 V HA -0.144 3.976 4.120 0.000 0.000 0.245 88 V C 3.240 179.378 176.094 0.074 0.000 1.043 88 V CA 3.495 65.832 62.300 0.062 0.000 1.014 88 V CB -1.112 30.746 31.823 0.059 0.000 0.645 88 V HN 0.862 nan 8.190 nan 0.000 0.447 89 T N -1.259 113.394 114.554 0.164 0.000 2.720 89 T HA -0.269 4.081 4.350 0.000 0.000 0.268 89 T C 1.651 176.425 174.700 0.123 0.000 1.037 89 T CA 1.820 64.029 62.100 0.183 0.000 1.144 89 T CB -0.473 68.578 68.868 0.304 0.000 0.864 89 T HN 0.457 nan 8.240 nan 0.000 0.444 90 E N 1.049 121.306 120.200 0.094 0.000 2.097 90 E HA -0.058 4.292 4.350 0.000 0.000 0.196 90 E C 2.498 179.122 176.600 0.040 0.000 1.000 90 E CA 1.097 57.528 56.400 0.052 0.000 0.804 90 E CB -0.258 29.459 29.700 0.029 0.000 0.740 90 E HN 0.478 nan 8.360 nan 0.000 0.454 91 R N -0.138 120.383 120.500 0.034 0.000 2.148 91 R HA -0.017 4.323 4.340 0.000 0.000 0.227 91 R C 1.999 178.309 176.300 0.016 0.000 1.103 91 R CA 0.741 56.852 56.100 0.019 0.000 0.983 91 R CB -0.128 30.177 30.300 0.009 0.000 0.874 91 R HN 0.209 nan 8.270 nan 0.000 0.451 92 L N -0.948 120.289 121.223 0.023 0.000 2.478 92 L HA 0.086 4.426 4.340 0.000 0.000 0.223 92 L C 1.212 178.102 176.870 0.034 0.000 1.140 92 L CA 0.682 55.534 54.840 0.020 0.000 0.842 92 L CB 0.080 42.150 42.059 0.019 0.000 0.953 92 L HN 0.455 nan 8.230 nan 0.000 0.452 93 G N 0.176 109.002 108.800 0.044 0.000 2.132 93 G HA2 -0.266 3.694 3.960 0.000 0.000 0.234 93 G HA3 -0.266 3.694 3.960 0.000 0.000 0.234 93 G C 0.408 175.351 174.900 0.072 0.000 0.989 93 G CA 0.017 45.146 45.100 0.047 0.000 0.676 93 G HN 0.307 nan 8.290 nan 0.000 0.522 94 L N 0.709 121.993 121.223 0.102 0.000 3.014 94 L HA 0.436 4.776 4.340 0.000 0.000 0.263 94 L C 1.664 178.682 176.870 0.248 0.000 1.207 94 L CA 0.015 54.949 54.840 0.156 0.000 1.017 94 L CB 0.424 42.572 42.059 0.149 0.000 1.360 94 L HN 0.316 nan 8.230 nan 0.000 0.560 95 G N 0.177 109.071 108.800 0.156 0.000 2.599 95 G HA2 0.221 4.182 3.960 0.000 0.000 0.264 95 G HA3 0.221 4.182 3.960 0.000 0.000 0.264 95 G C -1.814 173.039 174.900 -0.078 0.000 1.200 95 G CA -0.841 44.306 45.100 0.079 0.000 0.896 95 G HN -0.054 nan 8.290 nan 0.000 0.536 96 P HA -0.133 nan 4.420 nan 0.000 0.216 96 P C 1.479 178.668 177.300 -0.184 0.000 1.154 96 P CA 1.477 64.206 63.100 -0.618 0.000 0.865 96 P CB 0.238 31.536 31.700 -0.670 0.000 0.789 97 E N -0.893 119.234 120.200 -0.122 0.000 2.106 97 E HA -0.169 4.181 4.350 0.000 0.000 0.192 97 E C 2.008 178.602 176.600 -0.010 0.000 0.984 97 E CA 0.730 57.098 56.400 -0.053 0.000 0.806 97 E CB -0.268 29.407 29.700 -0.042 0.000 0.750 97 E HN 0.264 nan 8.360 nan 0.000 0.458 98 E N 0.184 120.389 120.200 0.009 0.000 2.046 98 E HA -0.127 4.223 4.350 0.000 0.000 0.190 98 E C 2.222 178.859 176.600 0.062 0.000 0.982 98 E CA 0.638 57.060 56.400 0.038 0.000 0.800 98 E CB -0.424 29.307 29.700 0.051 0.000 0.756 98 E HN 0.290 nan 8.360 nan 0.000 0.449 99 C N 1.009 120.369 119.300 0.101 0.000 2.413 99 C HA -0.069 4.391 4.460 0.000 0.000 0.277 99 C C 2.790 177.833 174.990 0.090 0.000 1.265 99 C CA 0.735 59.832 59.018 0.132 0.000 1.752 99 C CB -1.084 26.810 27.740 0.258 0.000 1.998 99 C HN 0.456 nan 8.230 nan 0.000 0.489 100 A N 0.632 123.487 122.820 0.059 0.000 1.978 100 A HA -0.219 4.101 4.320 0.000 0.000 0.220 100 A C 2.128 179.730 177.584 0.029 0.000 1.170 100 A CA 1.633 53.691 52.037 0.036 0.000 0.636 100 A CB -0.425 18.580 19.000 0.009 0.000 0.810 100 A HN 0.728 nan 8.150 nan 0.000 0.448 101 K N -0.472 119.945 120.400 0.029 0.000 2.148 101 K HA -0.067 4.253 4.320 0.000 0.000 0.204 101 K C 1.642 178.258 176.600 0.027 0.000 1.050 101 K CA 1.560 57.861 56.287 0.024 0.000 0.942 101 K CB -0.179 32.335 32.500 0.023 0.000 0.724 101 K HN 0.572 nan 8.250 nan 0.000 0.446 102 V N -2.902 117.034 119.914 0.037 0.000 3.661 102 V HA 0.165 4.285 4.120 0.000 0.000 0.271 102 V C 0.163 176.278 176.094 0.035 0.000 1.315 102 V CA -0.025 62.297 62.300 0.037 0.000 1.072 102 V CB -0.205 31.646 31.823 0.046 0.000 0.830 102 V HN 0.249 nan 8.190 nan 0.000 0.443 103 N N 1.264 119.987 118.700 0.039 0.000 2.932 103 N HA 0.094 4.834 4.740 0.000 0.000 0.242 103 N C -0.362 175.169 175.510 0.036 0.000 1.351 103 N CA 0.432 53.502 53.050 0.033 0.000 0.785 103 N CB 1.001 39.511 38.487 0.039 0.000 1.501 103 N HN 0.386 nan 8.380 nan 0.000 0.584 104 D N 1.954 122.367 120.400 0.022 0.000 2.328 104 D HA -0.004 4.636 4.640 0.000 0.000 0.226 104 D C 0.828 177.137 176.300 0.014 0.000 1.066 104 D CA 0.192 54.204 54.000 0.020 0.000 0.861 104 D CB 0.162 40.968 40.800 0.010 0.000 0.912 104 D HN 0.482 nan 8.370 nan 0.000 0.521 105 R N -0.454 120.051 120.500 0.008 0.000 2.317 105 R HA 0.211 4.551 4.340 0.000 0.000 0.208 105 R C 0.275 176.580 176.300 0.008 0.000 0.914 105 R CA -0.580 55.518 56.100 -0.002 0.000 1.060 105 R CB 0.173 30.461 30.300 -0.021 0.000 1.015 105 R HN 0.111 nan 8.270 nan 0.000 0.498 106 L N 2.025 123.266 121.223 0.030 0.000 2.455 106 L HA 0.106 4.446 4.340 0.000 0.000 0.272 106 L C -0.334 176.579 176.870 0.073 0.000 1.174 106 L CA 0.233 55.102 54.840 0.049 0.000 0.869 106 L CB 0.485 42.594 42.059 0.084 0.000 1.130 106 L HN -0.057 nan 8.230 nan 0.000 0.474 107 I N 6.508 127.111 120.570 0.055 0.000 2.301 107 I HA 0.079 4.249 4.170 0.000 0.000 0.292 107 I C -0.558 175.616 176.117 0.096 0.000 1.046 107 I CA -0.137 61.208 61.300 0.074 0.000 1.282 107 I CB -0.145 37.881 38.000 0.044 0.000 1.409 107 I HN 0.577 nan 8.210 nan 0.000 0.484 108 Y N 5.947 126.260 120.300 0.021 0.000 2.518 108 Y HA 0.583 5.133 4.550 0.000 0.000 0.344 108 Y C 0.329 176.243 175.900 0.022 0.000 0.982 108 Y CA -0.688 57.426 58.100 0.024 0.000 1.234 108 Y CB 0.839 39.314 38.460 0.025 0.000 1.114 108 Y HN 0.665 nan 8.280 nan 0.000 0.515 109 A N 7.487 130.328 122.820 0.034 0.000 2.252 109 A HA 0.566 4.886 4.320 0.000 0.000 0.309 109 A C -0.526 177.087 177.584 0.048 0.000 1.285 109 A CA -0.803 51.269 52.037 0.058 0.000 0.900 109 A CB 0.242 19.250 19.000 0.013 0.000 1.157 109 A HN 0.853 nan 8.150 nan 0.000 0.536 110 R N 2.487 123.054 120.500 0.111 0.000 2.288 110 R HA 0.420 4.760 4.340 0.000 0.000 0.326 110 R C -0.992 175.325 176.300 0.030 0.000 0.959 110 R CA -0.543 55.613 56.100 0.094 0.000 0.834 110 R CB 1.504 31.899 30.300 0.159 0.000 1.157 110 R HN 0.702 nan 8.270 nan 0.000 0.470 111 M N 3.281 122.872 119.600 -0.015 0.000 2.047 111 M HA 0.198 4.678 4.480 0.000 0.000 0.342 111 M C -0.715 175.534 176.300 -0.084 0.000 1.058 111 M CA 0.011 55.286 55.300 -0.043 0.000 0.991 111 M CB 1.127 33.702 32.600 -0.041 0.000 1.474 111 M HN 0.723 nan 8.290 nan 0.000 0.419 112 T N 0.632 115.114 114.554 -0.121 0.000 2.838 112 T HA 0.777 5.127 4.350 0.000 0.000 0.292 112 T C 0.621 175.071 174.700 -0.418 0.000 1.113 112 T CA -0.445 61.538 62.100 -0.194 0.000 1.008 112 T CB 1.315 70.122 68.868 -0.102 0.000 1.259 112 T HN 0.494 nan 8.240 nan 0.000 0.520 113 G N -1.002 107.347 108.800 -0.751 0.000 2.437 113 G HA2 0.087 4.047 3.960 0.000 0.000 0.212 113 G HA3 0.087 4.047 3.960 0.000 0.000 0.212 113 G C 0.718 174.975 174.900 -1.071 0.000 1.174 113 G CA -0.318 43.721 45.100 -1.769 0.000 0.811 113 G HN 0.812 nan 8.290 nan 0.000 0.537 114 W N 0.531 121.590 121.300 -0.402 0.000 3.114 114 W HA 0.453 5.113 4.660 0.000 0.000 0.279 114 W C 1.332 177.783 176.519 -0.113 0.000 1.277 114 W CA 0.199 57.450 57.345 -0.157 0.000 1.630 114 W CB 0.642 30.084 29.460 -0.029 0.000 1.087 114 W HN 0.530 nan 8.180 nan 0.000 0.637 115 G N 0.379 109.222 108.800 0.072 0.000 2.592 115 G HA2 -0.227 3.733 3.960 0.000 0.000 0.684 115 G HA3 -0.227 3.733 3.960 0.000 0.000 0.684 115 G C 0.213 175.147 174.900 0.057 0.000 1.291 115 G CA -0.433 44.691 45.100 0.041 0.000 0.891 115 G HN -0.043 nan 8.290 nan 0.000 0.544 116 Q N -0.441 119.381 119.800 0.037 0.000 2.311 116 Q HA 0.117 4.457 4.340 0.000 0.000 0.203 116 Q C 1.730 177.749 176.000 0.033 0.000 0.954 116 Q CA 2.017 57.842 55.803 0.037 0.000 0.885 116 Q CB 0.066 28.819 28.738 0.025 0.000 0.963 116 Q HN 1.213 nan 8.270 nan 0.000 0.471 117 T N -4.256 110.315 114.554 0.028 0.000 2.778 117 T HA 0.729 5.079 4.350 0.000 0.000 0.293 117 T C 0.092 174.798 174.700 0.009 0.000 1.144 117 T CA -0.327 61.781 62.100 0.015 0.000 1.010 117 T CB 2.331 71.200 68.868 0.003 0.000 1.325 117 T HN 0.296 nan 8.240 nan 0.000 0.515 118 G N 1.013 109.807 108.800 -0.011 0.000 2.619 118 G HA2 0.102 4.062 3.960 0.000 0.000 0.686 118 G HA3 0.102 4.062 3.960 0.000 0.000 0.686 118 G C -2.148 172.716 174.900 -0.060 0.000 1.256 118 G CA -0.279 44.801 45.100 -0.033 0.000 0.826 118 G HN 0.722 nan 8.290 nan 0.000 0.619 119 P HA -0.060 nan 4.420 nan 0.000 0.222 119 P C 1.323 178.522 177.300 -0.168 0.000 1.147 119 P CA 1.056 64.089 63.100 -0.111 0.000 0.790 119 P CB 0.097 31.729 31.700 -0.114 0.000 0.780 120 R N -0.190 120.146 120.500 -0.273 0.000 2.334 120 R HA 0.121 4.461 4.340 0.000 0.000 0.216 120 R C 2.202 178.357 176.300 -0.241 0.000 0.905 120 R CA 0.482 56.313 56.100 -0.449 0.000 1.064 120 R CB -0.205 29.426 30.300 -1.115 0.000 1.046 120 R HN 0.252 nan 8.270 nan 0.000 0.508 121 S N 0.555 116.222 115.700 -0.054 0.000 2.442 121 S HA -0.129 4.341 4.470 0.000 0.000 0.236 121 S C 1.533 176.209 174.600 0.126 0.000 1.007 121 S CA 0.809 59.068 58.200 0.100 0.000 0.965 121 S CB 0.072 63.314 63.200 0.069 0.000 0.773 121 S HN 0.196 nan 8.310 nan 0.000 0.504 122 Q N 0.820 120.662 119.800 0.070 0.000 2.246 122 Q HA 0.285 4.625 4.340 0.000 0.000 0.202 122 Q C 0.214 176.278 176.000 0.108 0.000 0.883 122 Q CA 0.093 55.945 55.803 0.083 0.000 0.952 122 Q CB 0.133 28.897 28.738 0.045 0.000 1.078 122 Q HN 0.779 nan 8.270 nan 0.000 0.493 123 Q N 0.224 120.115 119.800 0.152 0.000 2.241 123 Q HA 0.525 4.865 4.340 0.000 0.000 0.254 123 Q C -0.763 175.421 176.000 0.307 0.000 0.917 123 Q CA -0.358 55.549 55.803 0.173 0.000 0.919 123 Q CB 1.292 30.076 28.738 0.077 0.000 1.237 123 Q HN 0.194 nan 8.270 nan 0.000 0.434 124 A N 2.469 125.410 122.820 0.201 0.000 2.448 124 A HA 0.626 4.946 4.320 0.000 0.000 0.239 124 A C 0.306 178.007 177.584 0.194 0.000 1.080 124 A CA 0.716 52.846 52.037 0.155 0.000 0.779 124 A CB 0.231 19.284 19.000 0.089 0.000 1.026 124 A HN 0.894 nan 8.150 nan 0.000 0.499 125 G N -0.290 108.511 108.800 0.001 0.000 2.451 125 G HA2 0.566 4.526 3.960 0.000 0.000 0.292 125 G HA3 0.566 4.526 3.960 0.000 0.000 0.292 125 G C -1.365 173.202 174.900 -0.554 0.000 1.427 125 G CA -0.637 44.352 45.100 -0.184 0.000 0.792 125 G HN 0.881 nan 8.290 nan 0.000 0.498 126 H N -1.012 117.725 119.070 -0.556 0.000 2.943 126 H HA 0.345 4.901 4.556 0.000 0.000 0.323 126 H C 0.532 175.407 175.328 -0.756 0.000 1.296 126 H CA -0.216 55.573 56.048 -0.433 0.000 1.155 126 H CB 2.394 32.031 29.762 -0.208 0.000 1.882 126 H HN 0.643 nan 8.280 nan 0.000 0.553 127 D N 0.826 121.109 120.400 -0.194 0.000 2.126 127 D HA -0.170 4.470 4.640 0.000 0.000 0.190 127 D C 1.869 178.028 176.300 -0.234 0.000 1.001 127 D CA 1.435 55.338 54.000 -0.163 0.000 0.841 127 D CB 0.103 40.845 40.800 -0.097 0.000 0.949 127 D HN 0.510 nan 8.370 nan 0.000 0.446 128 I N 0.349 120.815 120.570 -0.174 0.000 2.335 128 I HA -0.327 3.843 4.170 0.000 0.000 0.251 128 I C 1.605 177.638 176.117 -0.139 0.000 1.129 128 I CA 1.402 62.634 61.300 -0.113 0.000 1.402 128 I CB -0.153 37.807 38.000 -0.068 0.000 1.069 128 I HN 0.062 nan 8.210 nan 0.000 0.424 129 N N -0.381 118.141 118.700 -0.297 0.000 2.106 129 N HA -0.204 4.536 4.740 0.000 0.000 0.188 129 N C 1.619 177.004 175.510 -0.208 0.000 1.029 129 N CA 1.564 54.471 53.050 -0.239 0.000 0.848 129 N CB -0.335 37.990 38.487 -0.269 0.000 1.007 129 N HN 0.307 nan 8.380 nan 0.000 0.423 130 Y N 1.294 121.411 120.300 -0.305 0.000 2.224 130 Y HA -0.032 4.518 4.550 0.000 0.000 0.289 130 Y C 2.062 177.910 175.900 -0.086 0.000 1.146 130 Y CA 0.381 58.222 58.100 -0.433 0.000 1.182 130 Y CB -0.911 37.214 38.460 -0.558 0.000 0.983 130 Y HN 0.184 nan 8.280 nan 0.000 0.524 131 I N -1.827 118.774 120.570 0.051 0.000 3.428 131 I HA 0.006 4.176 4.170 0.000 0.000 0.286 131 I C 2.004 178.186 176.117 0.108 0.000 1.287 131 I CA 1.034 62.384 61.300 0.082 0.000 1.396 131 I CB -0.488 37.541 38.000 0.048 0.000 1.062 131 I HN 0.137 nan 8.210 nan 0.000 0.471 132 S N 1.173 116.941 115.700 0.112 0.000 2.414 132 S HA 0.027 4.497 4.470 0.000 0.000 0.227 132 S C 1.917 176.622 174.600 0.175 0.000 1.022 132 S CA 0.381 58.660 58.200 0.132 0.000 0.958 132 S CB -0.456 62.813 63.200 0.114 0.000 0.797 132 S HN 0.537 nan 8.310 nan 0.000 0.493 133 L N 2.503 123.870 121.223 0.241 0.000 2.446 133 L HA 0.194 4.534 4.340 0.000 0.000 0.219 133 L C 1.169 178.166 176.870 0.211 0.000 1.116 133 L CA 1.105 56.094 54.840 0.248 0.000 0.844 133 L CB -0.501 41.800 42.059 0.403 0.000 0.970 133 L HN 0.721 nan 8.230 nan 0.000 0.457 134 N N -2.287 116.543 118.700 0.216 0.000 2.282 134 N HA 0.121 4.861 4.740 0.000 0.000 0.240 134 N C 1.098 176.773 175.510 0.276 0.000 1.182 134 N CA 0.568 53.763 53.050 0.242 0.000 0.874 134 N CB 1.102 39.721 38.487 0.221 0.000 1.126 134 N HN 0.088 nan 8.380 nan 0.000 0.516 135 G N 1.422 110.335 108.800 0.187 0.000 2.225 135 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 135 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 135 G C 0.741 175.695 174.900 0.090 0.000 0.988 135 G CA 0.408 45.576 45.100 0.113 0.000 0.625 135 G HN 0.336 nan 8.290 nan 0.000 0.527 136 I N 0.041 120.674 120.570 0.104 0.000 2.163 136 I HA -0.067 4.103 4.170 0.000 0.000 0.240 136 I C 2.610 178.778 176.117 0.086 0.000 1.081 136 I CA 1.608 62.948 61.300 0.068 0.000 1.353 136 I CB -0.324 37.718 38.000 0.069 0.000 1.054 136 I HN 0.285 nan 8.210 nan 0.000 0.407 137 L N 0.362 121.644 121.223 0.097 0.000 2.083 137 L HA -0.270 4.070 4.340 0.000 0.000 0.209 137 L C 2.634 179.558 176.870 0.090 0.000 1.083 137 L CA 1.948 56.835 54.840 0.078 0.000 0.752 137 L CB -1.054 41.046 42.059 0.068 0.000 0.899 137 L HN 0.313 nan 8.230 nan 0.000 0.433 138 H N -0.340 118.752 119.070 0.038 0.000 2.457 138 H HA -0.072 4.484 4.556 0.000 0.000 0.297 138 H C 1.678 177.030 175.328 0.039 0.000 1.092 138 H CA 1.330 57.399 56.048 0.035 0.000 1.309 138 H CB 0.325 30.110 29.762 0.037 0.000 1.382 138 H HN 0.488 nan 8.280 nan 0.000 0.535 139 A N 0.445 123.365 122.820 0.167 0.000 2.251 139 A HA 0.217 4.537 4.320 0.000 0.000 0.209 139 A C 0.955 178.599 177.584 0.099 0.000 1.187 139 A CA -0.167 51.969 52.037 0.165 0.000 0.823 139 A CB 0.029 19.158 19.000 0.215 0.000 0.846 139 A HN 0.235 nan 8.150 nan 0.000 0.486 140 I N -0.060 120.535 120.570 0.043 0.000 2.354 140 I HA 0.586 4.756 4.170 0.000 0.000 0.292 140 I C 0.633 176.741 176.117 -0.014 0.000 0.989 140 I CA 0.102 61.419 61.300 0.028 0.000 1.188 140 I CB 1.552 39.569 38.000 0.029 0.000 1.342 140 I HN 0.340 nan 8.210 nan 0.000 0.457 141 G N 4.976 113.765 108.800 -0.019 0.000 2.381 141 G HA2 -0.039 3.921 3.960 0.000 0.000 0.672 141 G HA3 -0.039 3.921 3.960 0.000 0.000 0.672 141 G C -1.076 173.790 174.900 -0.056 0.000 1.324 141 G CA -1.155 43.918 45.100 -0.045 0.000 0.975 141 G HN 0.413 nan 8.290 nan 0.000 0.593 142 R N 0.041 120.501 120.500 -0.067 0.000 2.594 142 R HA 0.411 4.751 4.340 0.000 0.000 0.272 142 R C 1.839 178.098 176.300 -0.068 0.000 1.074 142 R CA 0.208 56.266 56.100 -0.071 0.000 1.105 142 R CB 0.489 30.745 30.300 -0.073 0.000 1.008 142 R HN 1.137 nan 8.270 nan 0.000 0.472 143 G N 1.129 109.890 108.800 -0.065 0.000 2.470 143 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 143 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 143 G C 0.265 175.132 174.900 -0.054 0.000 1.121 143 G CA 0.678 45.741 45.100 -0.061 0.000 0.766 143 G HN 0.654 nan 8.290 nan 0.000 0.553 144 D N -0.286 120.085 120.400 -0.048 0.000 2.427 144 D HA 0.214 4.854 4.640 0.000 0.000 0.224 144 D C 0.554 176.831 176.300 -0.038 0.000 1.157 144 D CA -0.375 53.603 54.000 -0.037 0.000 0.828 144 D CB -0.044 40.738 40.800 -0.030 0.000 0.974 144 D HN 0.630 nan 8.370 nan 0.000 0.498 145 E N -0.812 119.359 120.200 -0.049 0.000 2.447 145 E HA 0.301 4.651 4.350 0.000 0.000 0.279 145 E C -0.635 175.930 176.600 -0.059 0.000 1.053 145 E CA -1.424 54.948 56.400 -0.046 0.000 0.840 145 E CB 1.149 30.824 29.700 -0.042 0.000 1.409 145 E HN 0.071 nan 8.360 nan 0.000 0.461 146 R N -0.132 120.338 120.500 -0.051 0.000 2.774 146 R HA 0.351 4.691 4.340 0.000 0.000 0.269 146 R C -2.265 173.994 176.300 -0.069 0.000 1.068 146 R CA -1.244 54.820 56.100 -0.060 0.000 1.180 146 R CB -0.696 29.582 30.300 -0.038 0.000 1.077 146 R HN 0.189 nan 8.270 nan 0.000 0.513 147 P HA -0.041 nan 4.420 nan 0.000 0.267 147 P C -0.821 176.454 177.300 -0.041 0.000 1.200 147 P CA -0.293 62.764 63.100 -0.072 0.000 0.772 147 P CB 0.720 32.376 31.700 -0.073 0.000 0.855 148 V N 4.545 124.439 119.914 -0.034 0.000 2.513 148 V HA 0.467 4.587 4.120 0.000 0.000 0.299 148 V C -2.349 173.738 176.094 -0.012 0.000 1.035 148 V CA -2.725 59.561 62.300 -0.024 0.000 0.889 148 V CB 1.763 33.568 31.823 -0.030 0.000 0.988 148 V HN 0.471 nan 8.190 nan 0.000 0.440 149 P HA 0.284 nan 4.420 nan 0.000 0.271 149 P C -2.650 174.654 177.300 0.007 0.000 1.216 149 P CA -1.551 61.548 63.100 -0.001 0.000 0.771 149 P CB 0.094 31.790 31.700 -0.007 0.000 0.864 150 P HA 0.140 nan 4.420 nan 0.000 0.214 150 P C 0.390 177.718 177.300 0.047 0.000 1.826 150 P CA -0.059 63.059 63.100 0.030 0.000 0.977 150 P CB -0.305 31.417 31.700 0.036 0.000 1.930 151 L N -0.634 120.616 121.223 0.046 0.000 7.036 151 L HA -0.319 4.021 4.340 0.000 0.000 0.055 151 L C 1.016 177.910 176.870 0.040 0.000 1.497 151 L CA 1.563 56.439 54.840 0.060 0.000 1.662 151 L CB -1.386 40.738 42.059 0.108 0.000 2.723 151 L HN 0.369 nan 8.230 nan 0.000 1.084 152 N N 0.205 118.938 118.700 0.054 0.000 2.458 152 N HA 0.262 5.002 4.740 0.000 0.000 0.274 152 N C 0.570 176.066 175.510 -0.024 0.000 1.242 152 N CA -0.106 52.924 53.050 -0.034 0.000 0.904 152 N CB 0.183 38.608 38.487 -0.104 0.000 1.206 152 N HN 0.630 nan 8.380 nan 0.000 0.510 153 L N -0.666 120.623 121.223 0.109 0.000 2.240 153 L HA 0.078 4.418 4.340 0.000 0.000 0.211 153 L C 1.638 178.583 176.870 0.126 0.000 1.106 153 L CA 0.523 55.484 54.840 0.202 0.000 0.793 153 L CB 0.167 42.330 42.059 0.174 0.000 0.927 153 L HN 0.061 nan 8.230 nan 0.000 0.446 154 V N -1.002 118.946 119.914 0.057 0.000 2.685 154 V HA 0.085 4.205 4.120 0.000 0.000 0.244 154 V C 2.271 178.383 176.094 0.030 0.000 1.054 154 V CA 1.423 63.758 62.300 0.059 0.000 1.076 154 V CB -0.094 31.760 31.823 0.051 0.000 0.725 154 V HN 0.451 nan 8.190 nan 0.000 0.467 155 G N -0.409 108.377 108.800 -0.022 0.000 2.508 155 G HA2 -0.116 3.844 3.960 0.000 0.000 0.212 155 G HA3 -0.116 3.844 3.960 0.000 0.000 0.212 155 G C 1.146 175.976 174.900 -0.117 0.000 1.206 155 G CA 0.674 45.754 45.100 -0.033 0.000 0.822 155 G HN 0.416 nan 8.290 nan 0.000 0.550 156 D N 0.144 120.368 120.400 -0.294 0.000 2.117 156 D HA -0.029 4.611 4.640 0.000 0.000 0.197 156 D C 2.018 177.982 176.300 -0.559 0.000 0.987 156 D CA 0.973 54.613 54.000 -0.601 0.000 0.829 156 D CB -0.076 40.017 40.800 -1.177 0.000 0.961 156 D HN 0.326 nan 8.370 nan 0.000 0.460 157 F N -0.265 119.680 119.950 -0.008 0.000 2.484 157 F HA 0.294 4.821 4.527 0.000 0.000 0.268 157 F C 2.586 178.435 175.800 0.082 0.000 0.965 157 F CA 0.377 58.357 58.000 -0.033 0.000 1.119 157 F CB -1.175 37.692 39.000 -0.222 0.000 1.153 157 F HN -0.092 nan 8.300 nan 0.000 0.689 158 G N -0.190 108.767 108.800 0.261 0.000 2.469 158 G HA2 -0.134 3.826 3.960 0.000 0.000 0.219 158 G HA3 -0.134 3.826 3.960 0.000 0.000 0.219 158 G C 1.714 176.811 174.900 0.329 0.000 1.150 158 G CA 1.084 46.326 45.100 0.237 0.000 0.763 158 G HN 0.557 nan 8.290 nan 0.000 0.561 159 G N -0.684 108.267 108.800 0.252 0.000 3.337 159 G HA2 0.484 4.444 3.960 0.000 0.000 0.246 159 G HA3 0.484 4.444 3.960 0.000 0.000 0.246 159 G C 0.770 175.774 174.900 0.172 0.000 1.131 159 G CA 0.971 46.212 45.100 0.234 0.000 0.773 159 G HN 0.684 nan 8.290 nan 0.000 0.544 160 G N 0.638 109.564 108.800 0.210 0.000 2.543 160 G HA2 0.203 4.163 3.960 0.000 0.000 0.202 160 G HA3 0.203 4.163 3.960 0.000 0.000 0.202 160 G C 1.868 176.883 174.900 0.191 0.000 1.897 160 G CA 1.091 46.252 45.100 0.102 0.000 0.726 160 G HN 0.424 nan 8.290 nan 0.000 0.804 161 S N 0.449 116.283 115.700 0.223 0.000 2.383 161 S HA -0.153 4.317 4.470 0.000 0.000 0.229 161 S C 2.376 177.112 174.600 0.227 0.000 1.030 161 S CA 1.961 60.323 58.200 0.270 0.000 1.002 161 S CB -0.356 63.143 63.200 0.499 0.000 0.829 161 S HN 0.142 nan 8.310 nan 0.000 0.467 162 M N 0.595 120.339 119.600 0.240 0.000 2.175 162 M HA 0.136 4.616 4.480 0.000 0.000 0.264 162 M C 1.902 178.177 176.300 -0.042 0.000 1.063 162 M CA 1.074 56.425 55.300 0.086 0.000 1.119 162 M CB -1.705 30.922 32.600 0.045 0.000 1.377 162 M HN 0.333 nan 8.290 nan 0.000 0.415 163 F N 0.055 120.040 119.950 0.058 0.000 2.186 163 F HA -0.151 4.376 4.527 0.000 0.000 0.299 163 F C 2.256 178.075 175.800 0.031 0.000 1.090 163 F CA 0.648 58.669 58.000 0.035 0.000 1.307 163 F CB -0.885 38.127 39.000 0.020 0.000 1.019 163 F HN 0.035 nan 8.300 nan 0.000 0.489 164 L N 0.056 121.394 121.223 0.191 0.000 2.012 164 L HA -0.229 4.111 4.340 0.000 0.000 0.210 164 L C 2.162 179.075 176.870 0.072 0.000 1.073 164 L CA 1.761 56.668 54.840 0.111 0.000 0.748 164 L CB -0.767 41.345 42.059 0.087 0.000 0.891 164 L HN 0.103 nan 8.230 nan 0.000 0.431 165 L N -2.078 119.177 121.223 0.053 0.000 1.994 165 L HA -0.240 4.100 4.340 0.000 0.000 0.208 165 L C 2.420 179.291 176.870 0.001 0.000 1.071 165 L CA 1.206 56.057 54.840 0.018 0.000 0.745 165 L CB -0.737 41.325 42.059 0.005 0.000 0.892 165 L HN 0.081 nan 8.230 nan 0.000 0.431 166 V N 0.269 120.161 119.914 -0.035 0.000 2.392 166 V HA -0.256 3.864 4.120 0.000 0.000 0.249 166 V C 2.584 178.686 176.094 0.013 0.000 1.059 166 V CA 2.065 64.336 62.300 -0.048 0.000 1.051 166 V CB -1.308 30.422 31.823 -0.156 0.000 0.658 166 V HN 0.607 nan 8.190 nan 0.000 0.455 167 G N -0.301 108.532 108.800 0.055 0.000 2.421 167 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 167 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 167 G C 1.575 176.512 174.900 0.061 0.000 1.171 167 G CA 1.013 46.157 45.100 0.073 0.000 0.775 167 G HN 0.463 nan 8.290 nan 0.000 0.543 168 I N 0.494 121.094 120.570 0.051 0.000 2.091 168 I HA -0.223 3.947 4.170 0.000 0.000 0.239 168 I C 2.757 178.901 176.117 0.045 0.000 1.061 168 I CA 1.128 62.454 61.300 0.042 0.000 1.317 168 I CB -0.259 37.757 38.000 0.027 0.000 1.031 168 I HN 0.135 nan 8.210 nan 0.000 0.401 169 L N 0.153 121.399 121.223 0.038 0.000 2.141 169 L HA -0.138 4.202 4.340 0.000 0.000 0.209 169 L C 2.782 179.700 176.870 0.080 0.000 1.094 169 L CA 1.065 55.933 54.840 0.047 0.000 0.763 169 L CB -0.740 41.335 42.059 0.026 0.000 0.908 169 L HN 0.235 nan 8.230 nan 0.000 0.437 170 A N 0.302 123.162 122.820 0.067 0.000 1.898 170 A HA -0.118 4.202 4.320 0.000 0.000 0.216 170 A C 2.569 180.248 177.584 0.158 0.000 1.181 170 A CA 1.582 53.675 52.037 0.093 0.000 0.620 170 A CB -0.671 18.358 19.000 0.048 0.000 0.819 170 A HN 0.364 nan 8.150 nan 0.000 0.442 171 A N -0.303 122.585 122.820 0.113 0.000 1.933 171 A HA -0.052 4.268 4.320 0.000 0.000 0.218 171 A C 2.147 179.791 177.584 0.101 0.000 1.175 171 A CA 1.507 53.607 52.037 0.104 0.000 0.628 171 A CB -0.577 18.469 19.000 0.077 0.000 0.814 171 A HN 0.476 nan 8.150 nan 0.000 0.444 172 L N -1.457 119.825 121.223 0.098 0.000 2.093 172 L HA -0.183 4.157 4.340 0.000 0.000 0.208 172 L C 2.613 179.546 176.870 0.105 0.000 1.085 172 L CA 1.312 56.196 54.840 0.074 0.000 0.755 172 L CB -0.476 41.616 42.059 0.055 0.000 0.904 172 L HN 0.829 nan 8.230 nan 0.000 0.435 173 W N 1.431 122.726 121.300 -0.008 0.000 2.355 173 W HA -0.222 4.438 4.660 0.000 0.000 0.309 173 W C 2.227 178.743 176.519 -0.004 0.000 1.206 173 W CA 1.757 59.098 57.345 -0.007 0.000 1.284 173 W CB -0.211 29.247 29.460 -0.002 0.000 1.145 173 W HN 0.241 nan 8.180 nan 0.000 0.502 174 E N 1.188 121.498 120.200 0.183 0.000 2.070 174 E HA -0.296 4.054 4.350 0.000 0.000 0.197 174 E C 2.270 178.818 176.600 -0.087 0.000 1.004 174 E CA 1.685 58.113 56.400 0.047 0.000 0.805 174 E CB -0.634 29.138 29.700 0.120 0.000 0.744 174 E HN 0.295 nan 8.360 nan 0.000 0.451 175 R N 0.203 120.674 120.500 -0.047 0.000 2.211 175 R HA -0.165 4.175 4.340 0.000 0.000 0.240 175 R C 2.412 178.639 176.300 -0.122 0.000 1.144 175 R CA 1.563 57.624 56.100 -0.065 0.000 0.992 175 R CB -0.004 30.276 30.300 -0.033 0.000 0.869 175 R HN 0.315 nan 8.270 nan 0.000 0.462 176 Q N -0.772 118.904 119.800 -0.206 0.000 2.124 176 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 176 Q C 2.046 177.904 176.000 -0.236 0.000 0.977 176 Q CA 2.025 57.678 55.803 -0.250 0.000 0.850 176 Q CB 0.101 28.594 28.738 -0.409 0.000 0.901 176 Q HN 0.431 nan 8.270 nan 0.000 0.429 177 S N -0.660 114.887 115.700 -0.254 0.000 2.502 177 S HA -0.014 4.456 4.470 0.000 0.000 0.228 177 S C 2.061 176.594 174.600 -0.111 0.000 1.061 177 S CA 0.440 58.529 58.200 -0.185 0.000 0.935 177 S CB -0.030 63.047 63.200 -0.204 0.000 0.809 177 S HN 0.322 nan 8.310 nan 0.000 0.510 178 S N 1.157 116.801 115.700 -0.093 0.000 2.436 178 S HA 0.334 4.804 4.470 0.000 0.000 0.228 178 S C 1.911 176.482 174.600 -0.049 0.000 1.014 178 S CA 0.895 59.063 58.200 -0.055 0.000 0.950 178 S CB -1.012 62.168 63.200 -0.034 0.000 0.784 178 S HN 1.581 nan 8.310 nan 0.000 0.504 179 G N 0.537 109.301 108.800 -0.060 0.000 2.189 179 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 179 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 179 G C -0.038 174.842 174.900 -0.033 0.000 0.975 179 G CA 0.693 45.764 45.100 -0.049 0.000 0.644 179 G HN 0.666 nan 8.290 nan 0.000 0.537 180 K N -0.371 120.013 120.400 -0.026 0.000 2.385 180 K HA 0.650 4.970 4.320 0.000 0.000 0.248 180 K C 0.896 177.497 176.600 0.001 0.000 0.955 180 K CA -0.156 56.125 56.287 -0.010 0.000 0.816 180 K CB 1.857 34.353 32.500 -0.005 0.000 1.250 180 K HN 0.300 nan 8.250 nan 0.000 0.434 181 G N 0.440 109.248 108.800 0.014 0.000 2.510 181 G HA2 0.478 4.438 3.960 0.000 0.000 0.280 181 G HA3 0.478 4.438 3.960 0.000 0.000 0.280 181 G C -0.845 174.077 174.900 0.038 0.000 1.386 181 G CA -0.035 45.084 45.100 0.031 0.000 1.047 181 G HN 0.640 nan 8.290 nan 0.000 0.527 182 Q N -3.251 116.583 119.800 0.057 0.000 2.894 182 Q HA 0.473 4.813 4.340 0.000 0.000 0.328 182 Q C -1.851 174.199 176.000 0.082 0.000 0.807 182 Q CA -0.936 54.898 55.803 0.052 0.000 0.831 182 Q CB 1.189 29.951 28.738 0.041 0.000 1.389 182 Q HN 0.418 nan 8.270 nan 0.000 0.489 183 V N 1.076 121.026 119.914 0.061 0.000 2.481 183 V HA 0.487 4.607 4.120 0.000 0.000 0.286 183 V C -0.426 175.720 176.094 0.088 0.000 1.042 183 V CA -0.674 61.680 62.300 0.091 0.000 0.928 183 V CB 1.502 33.328 31.823 0.006 0.000 0.986 183 V HN 0.515 nan 8.190 nan 0.000 0.462 184 V N 3.337 123.322 119.914 0.118 0.000 2.370 184 V HA 0.346 4.466 4.120 0.000 0.000 0.283 184 V C -0.381 175.766 176.094 0.088 0.000 1.023 184 V CA -0.446 61.909 62.300 0.092 0.000 0.857 184 V CB 1.691 33.568 31.823 0.090 0.000 0.985 184 V HN 0.965 nan 8.190 nan 0.000 0.443 185 D N 4.778 125.215 120.400 0.062 0.000 2.467 185 D HA 0.508 5.148 4.640 0.000 0.000 0.220 185 D C -0.034 176.284 176.300 0.030 0.000 1.103 185 D CA -0.232 53.795 54.000 0.045 0.000 0.886 185 D CB 1.349 42.166 40.800 0.029 0.000 1.025 185 D HN 0.663 nan 8.370 nan 0.000 0.514 186 A N 3.227 126.064 122.820 0.028 0.000 2.322 186 A HA 0.692 5.012 4.320 0.000 0.000 0.327 186 A C -0.054 177.503 177.584 -0.045 0.000 1.394 186 A CA -0.616 51.431 52.037 0.017 0.000 0.921 186 A CB 0.516 19.555 19.000 0.065 0.000 1.153 186 A HN 0.625 nan 8.150 nan 0.000 0.523 187 A N 3.012 125.781 122.820 -0.084 0.000 2.290 187 A HA 0.583 4.903 4.320 0.000 0.000 0.310 187 A C 0.984 178.441 177.584 -0.211 0.000 1.202 187 A CA -0.601 51.344 52.037 -0.154 0.000 0.837 187 A CB 0.239 19.178 19.000 -0.101 0.000 1.139 187 A HN 0.867 nan 8.150 nan 0.000 0.509 188 M N 2.405 121.814 119.600 -0.319 0.000 2.213 188 M HA -0.127 4.353 4.480 0.000 0.000 0.263 188 M C 1.875 178.042 176.300 -0.222 0.000 1.062 188 M CA 1.417 56.541 55.300 -0.293 0.000 1.105 188 M CB -0.305 32.060 32.600 -0.392 0.000 1.385 188 M HN 0.631 nan 8.290 nan 0.000 0.417 189 V N 0.514 120.299 119.914 -0.216 0.000 2.626 189 V HA -0.247 3.873 4.120 0.000 0.000 0.252 189 V C 1.499 177.555 176.094 -0.063 0.000 1.067 189 V CA 2.007 64.283 62.300 -0.040 0.000 1.081 189 V CB -0.366 31.547 31.823 0.152 0.000 0.686 189 V HN 0.400 nan 8.190 nan 0.000 0.468 190 D N 0.121 120.438 120.400 -0.138 0.000 2.146 190 D HA 0.025 4.665 4.640 0.000 0.000 0.209 190 D C 2.106 178.179 176.300 -0.377 0.000 0.973 190 D CA 1.469 55.350 54.000 -0.198 0.000 0.860 190 D CB -0.855 39.836 40.800 -0.181 0.000 1.015 190 D HN 0.472 nan 8.370 nan 0.000 0.465 191 G N 0.936 109.407 108.800 -0.548 0.000 2.476 191 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 191 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 191 G C 1.730 176.173 174.900 -0.762 0.000 1.164 191 G CA 1.969 46.330 45.100 -1.232 0.000 0.768 191 G HN 0.407 nan 8.290 nan 0.000 0.560 192 S N 0.421 115.948 115.700 -0.287 0.000 2.399 192 S HA -0.071 4.399 4.470 0.000 0.000 0.231 192 S C 2.413 176.998 174.600 -0.025 0.000 1.022 192 S CA 1.723 59.876 58.200 -0.079 0.000 0.983 192 S CB -0.351 62.844 63.200 -0.008 0.000 0.803 192 S HN 0.249 nan 8.310 nan 0.000 0.480 193 S N 1.551 117.216 115.700 -0.059 0.000 2.356 193 S HA -0.016 4.454 4.470 0.000 0.000 0.223 193 S C 1.933 176.545 174.600 0.020 0.000 1.032 193 S CA 1.310 59.531 58.200 0.036 0.000 1.005 193 S CB -0.605 62.568 63.200 -0.045 0.000 0.867 193 S HN 0.448 nan 8.310 nan 0.000 0.449 194 V N 1.723 121.564 119.914 -0.123 0.000 2.626 194 V HA -0.074 4.046 4.120 0.000 0.000 0.252 194 V C 2.161 178.339 176.094 0.141 0.000 1.067 194 V CA 1.059 63.352 62.300 -0.012 0.000 1.081 194 V CB -0.625 31.163 31.823 -0.058 0.000 0.686 194 V HN 0.316 nan 8.190 nan 0.000 0.468 195 L N -0.386 120.920 121.223 0.137 0.000 2.127 195 L HA -0.047 4.293 4.340 0.000 0.000 0.211 195 L C 1.816 178.760 176.870 0.124 0.000 1.089 195 L CA 1.866 56.840 54.840 0.223 0.000 0.757 195 L CB -0.213 41.987 42.059 0.234 0.000 0.899 195 L HN 0.304 nan 8.230 nan 0.000 0.434 196 I N -0.972 119.663 120.570 0.108 0.000 3.884 196 I HA -0.011 4.159 4.170 0.000 0.000 0.330 196 I C 1.730 177.911 176.117 0.107 0.000 1.451 196 I CA 0.004 61.331 61.300 0.045 0.000 1.165 196 I CB -0.197 37.798 38.000 -0.007 0.000 1.097 196 I HN 0.368 nan 8.210 nan 0.000 0.404 197 Q N 0.975 120.870 119.800 0.158 0.000 2.181 197 Q HA -0.257 4.083 4.340 0.000 0.000 0.205 197 Q C 1.987 178.052 176.000 0.108 0.000 0.980 197 Q CA 1.822 57.746 55.803 0.202 0.000 0.862 197 Q CB -0.105 28.710 28.738 0.128 0.000 0.905 197 Q HN 0.666 nan 8.270 nan 0.000 0.429 198 M N -0.492 119.111 119.600 0.006 0.000 2.106 198 M HA -0.246 4.234 4.480 0.000 0.000 0.259 198 M C 1.736 177.936 176.300 -0.166 0.000 1.068 198 M CA 1.617 56.879 55.300 -0.063 0.000 1.100 198 M CB 0.042 32.583 32.600 -0.098 0.000 1.351 198 M HN 0.192 nan 8.290 nan 0.000 0.404 199 M N -1.147 118.247 119.600 -0.343 0.000 2.254 199 M HA -0.098 4.382 4.480 0.000 0.000 0.265 199 M C 1.418 177.478 176.300 -0.399 0.000 1.066 199 M CA 1.823 56.742 55.300 -0.637 0.000 1.123 199 M CB -0.728 31.230 32.600 -1.071 0.000 1.388 199 M HN 0.383 nan 8.290 nan 0.000 0.425 200 W N -0.200 121.014 121.300 -0.142 0.000 2.363 200 W HA -0.078 4.582 4.660 0.000 0.000 0.296 200 W C 2.530 179.032 176.519 -0.028 0.000 1.212 200 W CA 1.164 58.474 57.345 -0.060 0.000 1.260 200 W CB -0.594 28.838 29.460 -0.046 0.000 1.131 200 W HN 0.218 nan 8.180 nan 0.000 0.530 201 A N -0.035 122.884 122.820 0.165 0.000 1.877 201 A HA -0.213 4.107 4.320 0.000 0.000 0.216 201 A C 1.933 179.568 177.584 0.085 0.000 1.186 201 A CA 1.859 53.960 52.037 0.106 0.000 0.620 201 A CB -0.831 18.209 19.000 0.067 0.000 0.822 201 A HN 0.250 nan 8.150 nan 0.000 0.443 202 M N -1.465 118.168 119.600 0.054 0.000 2.175 202 M HA -0.099 4.381 4.480 0.000 0.000 0.264 202 M C 2.380 178.764 176.300 0.139 0.000 1.063 202 M CA 1.057 56.415 55.300 0.098 0.000 1.119 202 M CB -0.303 32.371 32.600 0.123 0.000 1.377 202 M HN 0.295 nan 8.290 nan 0.000 0.415 203 R N 0.252 120.826 120.500 0.124 0.000 2.105 203 R HA -0.096 4.244 4.340 0.000 0.000 0.239 203 R C 2.115 178.486 176.300 0.119 0.000 1.135 203 R CA 1.661 57.843 56.100 0.136 0.000 0.967 203 R CB -0.485 29.864 30.300 0.082 0.000 0.861 203 R HN 0.383 nan 8.270 nan 0.000 0.442 204 A N 0.239 123.132 122.820 0.122 0.000 2.067 204 A HA -0.088 4.232 4.320 0.000 0.000 0.219 204 A C 1.693 179.322 177.584 0.076 0.000 1.158 204 A CA 1.689 53.788 52.037 0.102 0.000 0.661 204 A CB -0.225 18.837 19.000 0.104 0.000 0.801 204 A HN 0.455 nan 8.150 nan 0.000 0.452 205 T N -5.168 109.431 114.554 0.076 0.000 3.174 205 T HA 0.449 4.799 4.350 0.000 0.000 0.269 205 T C 1.126 175.859 174.700 0.054 0.000 1.017 205 T CA 0.862 62.997 62.100 0.059 0.000 0.899 205 T CB 0.072 68.973 68.868 0.055 0.000 1.077 205 T HN 1.574 nan 8.240 nan 0.000 0.552 206 G N 1.801 110.637 108.800 0.060 0.000 2.143 206 G HA2 -0.288 3.673 3.960 0.000 0.000 0.248 206 G HA3 -0.288 3.673 3.960 0.000 0.000 0.248 206 G C 0.557 175.486 174.900 0.050 0.000 0.991 206 G CA 0.500 45.626 45.100 0.043 0.000 0.689 206 G HN 0.561 nan 8.290 nan 0.000 0.522 207 M N -1.141 118.516 119.600 0.094 0.000 2.371 207 M HA 0.341 4.821 4.480 0.000 0.000 0.246 207 M C 0.488 176.926 176.300 0.230 0.000 1.103 207 M CA 0.111 55.486 55.300 0.126 0.000 1.010 207 M CB 0.537 33.216 32.600 0.130 0.000 1.457 207 M HN 0.357 nan 8.290 nan 0.000 0.486 208 W N 0.882 122.166 121.300 -0.027 0.000 3.256 208 W HA 0.372 5.032 4.660 0.000 0.000 0.324 208 W C -1.191 175.298 176.519 -0.049 0.000 1.196 208 W CA -0.537 56.780 57.345 -0.045 0.000 1.206 208 W CB 1.764 31.177 29.460 -0.077 0.000 1.385 208 W HN -0.070 nan 8.180 nan 0.000 0.522 209 T N 0.055 114.373 114.554 -0.393 0.000 2.942 209 T HA 0.270 4.620 4.350 0.000 0.000 0.289 209 T C -0.017 174.605 174.700 -0.130 0.000 1.044 209 T CA -0.466 61.529 62.100 -0.175 0.000 1.023 209 T CB 2.065 70.820 68.868 -0.188 0.000 1.123 209 T HN 0.233 nan 8.240 nan 0.000 0.512 210 D N 0.941 121.331 120.400 -0.017 0.000 2.336 210 D HA 0.144 4.784 4.640 0.000 0.000 0.229 210 D C 0.154 176.497 176.300 0.072 0.000 1.061 210 D CA 0.396 54.420 54.000 0.041 0.000 0.875 210 D CB -0.180 40.620 40.800 -0.001 0.000 0.904 210 D HN 0.569 nan 8.370 nan 0.000 0.525 211 T N 1.116 115.658 114.554 -0.020 0.000 2.723 211 T HA 0.120 4.470 4.350 0.000 0.000 0.297 211 T C 0.529 175.202 174.700 -0.044 0.000 0.925 211 T CA -0.554 61.538 62.100 -0.015 0.000 1.030 211 T CB 1.034 69.866 68.868 -0.060 0.000 0.905 211 T HN 0.034 nan 8.240 nan 0.000 0.502 212 R N 2.470 122.965 120.500 -0.008 0.000 2.570 212 R HA 0.311 4.651 4.340 0.000 0.000 0.277 212 R C 1.278 177.537 176.300 -0.069 0.000 1.039 212 R CA 1.236 57.310 56.100 -0.043 0.000 1.065 212 R CB -0.195 30.038 30.300 -0.112 0.000 0.964 212 R HN 0.940 nan 8.270 nan 0.000 0.428 213 G N 2.148 110.904 108.800 -0.073 0.000 2.160 213 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 213 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 213 G C 0.156 174.998 174.900 -0.097 0.000 1.008 213 G CA 0.243 45.295 45.100 -0.080 0.000 0.724 213 G HN 0.870 nan 8.290 nan 0.000 0.514 214 A N -0.399 122.335 122.820 -0.143 0.000 2.674 214 A HA 0.624 4.944 4.320 0.000 0.000 0.286 214 A C 0.452 177.918 177.584 -0.196 0.000 0.980 214 A CA -0.019 51.953 52.037 -0.109 0.000 1.028 214 A CB 0.354 19.298 19.000 -0.094 0.000 1.199 214 A HN 0.314 nan 8.150 nan 0.000 0.499 215 N N -1.162 117.354 118.700 -0.308 0.000 2.761 215 N HA 0.329 5.069 4.740 0.000 0.000 0.283 215 N C 0.655 176.009 175.510 -0.260 0.000 1.377 215 N CA -0.670 52.061 53.050 -0.532 0.000 0.791 215 N CB 1.117 38.675 38.487 -1.547 0.000 1.540 215 N HN 0.225 nan 8.380 nan 0.000 0.539 216 M N 0.308 119.806 119.600 -0.171 0.000 2.254 216 M HA 0.101 4.581 4.480 0.000 0.000 0.265 216 M C 0.471 176.678 176.300 -0.154 0.000 1.066 216 M CA 1.659 56.939 55.300 -0.033 0.000 1.123 216 M CB 0.132 32.794 32.600 0.103 0.000 1.388 216 M HN 0.388 nan 8.290 nan 0.000 0.425 217 L N -0.237 120.982 121.223 -0.006 0.000 2.959 217 L HA 0.165 4.505 4.340 0.000 0.000 0.259 217 L C 0.216 177.188 176.870 0.170 0.000 1.185 217 L CA -0.333 54.430 54.840 -0.129 0.000 0.998 217 L CB 0.135 42.140 42.059 -0.090 0.000 1.337 217 L HN 0.234 nan 8.230 nan 0.000 0.555 218 D N -1.074 119.415 120.400 0.149 0.000 2.501 218 D HA 0.222 4.862 4.640 0.000 0.000 0.224 218 D C 1.268 177.590 176.300 0.037 0.000 1.202 218 D CA 0.404 54.489 54.000 0.142 0.000 0.829 218 D CB 0.820 41.714 40.800 0.157 0.000 1.023 218 D HN 0.134 nan 8.370 nan 0.000 0.499 219 G N -0.196 108.617 108.800 0.021 0.000 2.254 219 G HA2 -0.267 3.693 3.960 0.000 0.000 0.225 219 G HA3 -0.267 3.693 3.960 0.000 0.000 0.225 219 G C 1.332 176.126 174.900 -0.177 0.000 1.003 219 G CA 0.186 45.233 45.100 -0.087 0.000 0.622 219 G HN 0.632 nan 8.290 nan 0.000 0.507 220 G N 0.853 109.549 108.800 -0.172 0.000 2.432 220 G HA2 0.371 4.331 3.960 0.000 0.000 0.219 220 G HA3 0.371 4.331 3.960 0.000 0.000 0.219 220 G C 0.962 175.567 174.900 -0.493 0.000 1.135 220 G CA 1.708 46.692 45.100 -0.194 0.000 0.767 220 G HN 1.796 nan 8.290 nan 0.000 0.550 221 A N 0.423 122.794 122.820 -0.748 0.000 2.289 221 A HA 0.641 4.961 4.320 0.000 0.000 0.298 221 A C -1.078 175.854 177.584 -1.086 0.000 1.208 221 A CA -1.309 49.783 52.037 -1.576 0.000 0.845 221 A CB 1.361 19.439 19.000 -1.537 0.000 1.125 221 A HN 0.035 nan 8.150 nan 0.000 0.517 222 P HA -0.175 nan 4.420 nan 0.000 0.221 222 P C 0.539 177.804 177.300 -0.059 0.000 1.145 222 P CA 1.546 64.428 63.100 -0.363 0.000 0.795 222 P CB -0.124 31.451 31.700 -0.210 0.000 0.775 223 Y N -4.576 115.691 120.300 -0.055 0.000 2.466 223 Y HA 0.317 4.867 4.550 0.000 0.000 0.272 223 Y C 0.312 176.297 175.900 0.142 0.000 1.169 223 Y CA -0.851 57.329 58.100 0.134 0.000 1.285 223 Y CB -0.884 37.693 38.460 0.195 0.000 1.078 223 Y HN -0.123 nan 8.280 nan 0.000 0.523 224 Y N 1.849 122.005 120.300 -0.239 0.000 2.592 224 Y HA 0.512 5.062 4.550 0.000 0.000 0.354 224 Y C -1.329 174.460 175.900 -0.184 0.000 1.063 224 Y CA -1.165 56.857 58.100 -0.130 0.000 1.205 224 Y CB 0.254 38.637 38.460 -0.129 0.000 1.106 224 Y HN 0.215 nan 8.280 nan 0.000 0.649 225 D N 0.556 120.795 120.400 -0.269 0.000 2.764 225 D HA 0.221 4.861 4.640 0.000 0.000 0.293 225 D C -0.951 175.145 176.300 -0.339 0.000 1.287 225 D CA -0.150 53.663 54.000 -0.311 0.000 0.768 225 D CB 1.659 42.221 40.800 -0.396 0.000 1.288 225 D HN 0.263 nan 8.370 nan 0.000 0.426 226 T N -1.158 113.169 114.554 -0.379 0.000 2.922 226 T HA 0.712 5.062 4.350 0.000 0.000 0.285 226 T C -0.524 173.873 174.700 -0.505 0.000 1.005 226 T CA -0.231 61.667 62.100 -0.336 0.000 1.061 226 T CB 0.797 69.488 68.868 -0.295 0.000 1.007 226 T HN 0.267 nan 8.240 nan 0.000 0.502 227 Y N -0.401 119.764 120.300 -0.226 0.000 2.462 227 Y HA 0.489 5.039 4.550 0.000 0.000 0.346 227 Y C 0.354 176.282 175.900 0.047 0.000 0.976 227 Y CA -1.168 56.844 58.100 -0.145 0.000 1.044 227 Y CB 1.996 40.219 38.460 -0.395 0.000 1.230 227 Y HN 0.826 nan 8.280 nan 0.000 0.455 228 E N 1.777 122.145 120.200 0.280 0.000 2.283 228 E HA 0.469 4.819 4.350 0.000 0.000 0.278 228 E C -0.973 175.731 176.600 0.174 0.000 1.027 228 E CA -0.318 56.207 56.400 0.210 0.000 0.843 228 E CB 0.668 30.485 29.700 0.195 0.000 1.062 228 E HN 0.707 nan 8.360 nan 0.000 0.401 229 C N 2.333 121.690 119.300 0.096 0.000 2.484 229 C HA 0.532 4.992 4.460 0.000 0.000 0.409 229 C C 1.761 176.829 174.990 0.131 0.000 1.434 229 C CA -0.050 59.108 59.018 0.233 0.000 1.913 229 C CB 0.842 28.768 27.740 0.310 0.000 2.028 229 C HN 0.992 nan 8.230 nan 0.000 0.516 230 A N 0.889 123.801 122.820 0.154 0.000 2.019 230 A HA -0.135 4.185 4.320 0.000 0.000 0.219 230 A C 1.519 179.110 177.584 0.012 0.000 1.164 230 A CA 2.177 54.252 52.037 0.064 0.000 0.644 230 A CB -0.550 18.465 19.000 0.026 0.000 0.805 230 A HN 0.950 nan 8.150 nan 0.000 0.449 231 D N -1.886 118.514 120.400 -0.000 0.000 2.328 231 D HA 0.243 4.883 4.640 0.000 0.000 0.226 231 D C 1.162 177.411 176.300 -0.085 0.000 1.066 231 D CA 0.789 54.767 54.000 -0.037 0.000 0.861 231 D CB -0.717 40.063 40.800 -0.033 0.000 0.912 231 D HN 0.723 nan 8.370 nan 0.000 0.521 232 G N 0.445 109.173 108.800 -0.120 0.000 2.162 232 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 232 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 232 G C 0.398 174.993 174.900 -0.507 0.000 0.976 232 G CA 0.233 45.201 45.100 -0.220 0.000 0.655 232 G HN 0.475 nan 8.290 nan 0.000 0.533 233 R N -1.348 118.873 120.500 -0.464 0.000 2.606 233 R HA 0.730 5.070 4.340 0.000 0.000 0.249 233 R C -0.457 175.400 176.300 -0.738 0.000 1.127 233 R CA -0.561 55.182 56.100 -0.595 0.000 1.133 233 R CB 0.589 30.767 30.300 -0.205 0.000 1.243 233 R HN 0.249 nan 8.270 nan 0.000 0.558 234 Y N -0.856 119.448 120.300 0.007 0.000 2.545 234 Y HA 0.443 4.993 4.550 0.000 0.000 0.348 234 Y C -0.155 175.721 175.900 -0.040 0.000 1.002 234 Y CA -1.204 56.882 58.100 -0.024 0.000 1.039 234 Y CB 1.675 40.091 38.460 -0.074 0.000 1.271 234 Y HN 0.264 nan 8.280 nan 0.000 0.467 235 V N -0.727 119.217 119.914 0.050 0.000 2.881 235 V HA 1.013 5.133 4.120 0.000 0.000 0.316 235 V C -0.381 175.619 176.094 -0.157 0.000 1.070 235 V CA -1.180 61.072 62.300 -0.080 0.000 0.976 235 V CB 1.431 33.120 31.823 -0.223 0.000 1.038 235 V HN 0.967 nan 8.190 nan 0.000 0.446 236 A N 2.555 125.271 122.820 -0.173 0.000 2.304 236 A HA 0.823 5.143 4.320 0.000 0.000 0.323 236 A C -0.542 176.892 177.584 -0.249 0.000 1.195 236 A CA -0.627 51.281 52.037 -0.215 0.000 0.826 236 A CB 1.261 20.140 19.000 -0.202 0.000 1.184 236 A HN 1.218 nan 8.150 nan 0.000 0.496 237 V N 1.816 121.589 119.914 -0.235 0.000 2.459 237 V HA 0.676 4.796 4.120 0.000 0.000 0.295 237 V C 0.864 176.842 176.094 -0.194 0.000 1.029 237 V CA 0.317 62.510 62.300 -0.178 0.000 0.874 237 V CB 1.799 33.595 31.823 -0.046 0.000 0.985 237 V HN 1.186 nan 8.190 nan 0.000 0.438 238 G N 2.896 111.631 108.800 -0.109 0.000 4.683 238 G HA2 0.460 4.420 3.960 0.000 0.000 0.273 238 G HA3 0.460 4.420 3.960 0.000 0.000 0.273 238 G C 0.284 175.338 174.900 0.256 0.000 1.065 238 G CA 0.433 45.525 45.100 -0.012 0.000 0.837 238 G HN 0.924 nan 8.290 nan 0.000 0.526 239 A N 0.852 123.850 122.820 0.296 0.000 3.004 239 A HA 0.588 4.908 4.320 0.000 0.000 0.286 239 A C 1.217 178.993 177.584 0.320 0.000 1.632 239 A CA -0.363 51.874 52.037 0.334 0.000 1.339 239 A CB -0.371 18.799 19.000 0.285 0.000 1.136 239 A HN 0.382 nan 8.150 nan 0.000 0.577 240 I N -0.019 120.745 120.570 0.323 0.000 2.206 240 I HA -0.079 4.092 4.170 0.000 0.000 0.239 240 I C 0.756 176.826 176.117 -0.078 0.000 1.078 240 I CA 0.595 61.975 61.300 0.133 0.000 1.367 240 I CB -0.113 38.042 38.000 0.258 0.000 1.078 240 I HN 0.481 nan 8.210 nan 0.000 0.413 241 E N 2.288 122.499 120.200 0.018 0.000 2.392 241 E HA -0.024 4.326 4.350 0.000 0.000 0.264 241 E C -1.578 174.900 176.600 -0.204 0.000 1.024 241 E CA -1.035 55.242 56.400 -0.206 0.000 0.903 241 E CB 0.148 29.529 29.700 -0.531 0.000 0.963 241 E HN 0.127 nan 8.360 nan 0.000 0.432 242 P HA -0.231 nan 4.420 nan 0.000 0.220 242 P C 0.908 178.193 177.300 -0.025 0.000 1.148 242 P CA 1.205 64.257 63.100 -0.079 0.000 0.803 242 P CB 0.327 31.974 31.700 -0.088 0.000 0.782 243 Q N -0.896 118.797 119.800 -0.178 0.000 2.230 243 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 243 Q C 1.782 177.822 176.000 0.067 0.000 0.963 243 Q CA 1.289 57.028 55.803 -0.106 0.000 0.866 243 Q CB -1.089 27.543 28.738 -0.177 0.000 0.931 243 Q HN 0.183 nan 8.270 nan 0.000 0.452 244 F N 0.294 120.279 119.950 0.059 0.000 2.179 244 F HA 0.024 4.551 4.527 0.000 0.000 0.292 244 F C 2.392 178.224 175.800 0.054 0.000 1.089 244 F CA -0.254 57.775 58.000 0.050 0.000 1.295 244 F CB -1.470 37.559 39.000 0.049 0.000 1.041 244 F HN 0.032 nan 8.300 nan 0.000 0.487 245 Y N 1.298 121.674 120.300 0.126 0.000 2.102 245 Y HA -0.300 4.250 4.550 0.000 0.000 0.280 245 Y C 2.463 178.389 175.900 0.043 0.000 1.178 245 Y CA 1.858 59.983 58.100 0.041 0.000 1.146 245 Y CB -0.656 37.768 38.460 -0.061 0.000 0.968 245 Y HN -0.002 nan 8.280 nan 0.000 0.504 246 A N 0.273 123.123 122.820 0.049 0.000 1.908 246 A HA -0.158 4.162 4.320 0.000 0.000 0.218 246 A C 2.420 179.988 177.584 -0.026 0.000 1.181 246 A CA 2.069 54.096 52.037 -0.017 0.000 0.627 246 A CB -1.524 17.506 19.000 0.051 0.000 0.818 246 A HN 0.644 nan 8.150 nan 0.000 0.445 247 A N -1.059 121.792 122.820 0.051 0.000 1.930 247 A HA -0.086 4.234 4.320 0.000 0.000 0.217 247 A C 2.196 179.854 177.584 0.123 0.000 1.175 247 A CA 1.792 53.889 52.037 0.100 0.000 0.627 247 A CB -0.495 18.598 19.000 0.155 0.000 0.815 247 A HN 0.515 nan 8.150 nan 0.000 0.443 248 M N -0.110 119.491 119.600 0.001 0.000 2.086 248 M HA -0.106 4.374 4.480 0.000 0.000 0.261 248 M C 1.965 178.225 176.300 -0.065 0.000 1.067 248 M CA 1.702 56.949 55.300 -0.088 0.000 1.116 248 M CB -0.707 31.746 32.600 -0.246 0.000 1.348 248 M HN 0.451 nan 8.290 nan 0.000 0.407 249 L N -0.133 120.953 121.223 -0.229 0.000 2.093 249 L HA -0.165 4.175 4.340 0.000 0.000 0.208 249 L C 2.718 179.536 176.870 -0.086 0.000 1.085 249 L CA 1.142 55.845 54.840 -0.228 0.000 0.755 249 L CB -1.092 40.794 42.059 -0.289 0.000 0.904 249 L HN 0.342 nan 8.230 nan 0.000 0.435 250 A N 0.594 123.398 122.820 -0.027 0.000 1.865 250 A HA -0.158 4.162 4.320 0.000 0.000 0.217 250 A C 2.408 179.999 177.584 0.011 0.000 1.191 250 A CA 1.863 53.900 52.037 0.001 0.000 0.623 250 A CB -1.343 17.668 19.000 0.019 0.000 0.826 250 A HN 0.435 nan 8.150 nan 0.000 0.444 251 G N -0.365 108.482 108.800 0.079 0.000 2.450 251 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 251 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 251 G C 1.411 176.305 174.900 -0.011 0.000 1.130 251 G CA 1.013 46.060 45.100 -0.087 0.000 0.760 251 G HN 0.454 nan 8.290 nan 0.000 0.557 252 L N 0.359 121.597 121.223 0.024 0.000 2.552 252 L HA 0.197 4.537 4.340 0.000 0.000 0.227 252 L C 2.069 178.925 176.870 -0.023 0.000 1.146 252 L CA 0.430 55.202 54.840 -0.112 0.000 0.858 252 L CB -0.218 41.595 42.059 -0.410 0.000 0.969 252 L HN 0.379 nan 8.230 nan 0.000 0.451 253 G N 0.709 109.503 108.800 -0.009 0.000 2.160 253 G HA2 -0.273 3.687 3.960 0.000 0.000 0.251 253 G HA3 -0.273 3.687 3.960 0.000 0.000 0.251 253 G C 0.084 174.971 174.900 -0.021 0.000 1.008 253 G CA -0.130 44.971 45.100 0.001 0.000 0.724 253 G HN 0.242 nan 8.290 nan 0.000 0.514 254 L N 0.413 121.604 121.223 -0.054 0.000 2.325 254 L HA 0.467 4.807 4.340 0.000 0.000 0.279 254 L C 0.044 176.892 176.870 -0.037 0.000 1.054 254 L CA -0.953 53.854 54.840 -0.055 0.000 0.804 254 L CB 1.310 43.312 42.059 -0.095 0.000 1.200 254 L HN 0.101 nan 8.230 nan 0.000 0.436 255 D N 1.865 122.254 120.400 -0.017 0.000 2.313 255 D HA 0.246 4.886 4.640 0.000 0.000 0.239 255 D C 0.724 177.028 176.300 0.007 0.000 1.142 255 D CA -0.178 53.820 54.000 -0.004 0.000 0.847 255 D CB 2.050 42.852 40.800 0.003 0.000 1.082 255 D HN 0.609 nan 8.370 nan 0.000 0.480 256 A N 4.025 126.852 122.820 0.012 0.000 1.978 256 A HA -0.113 4.207 4.320 0.000 0.000 0.220 256 A C 2.014 179.629 177.584 0.052 0.000 1.170 256 A CA 1.796 53.859 52.037 0.043 0.000 0.636 256 A CB -0.444 18.589 19.000 0.056 0.000 0.810 256 A HN 0.649 nan 8.150 nan 0.000 0.448 257 A N -0.862 121.979 122.820 0.036 0.000 2.172 257 A HA -0.033 4.287 4.320 0.000 0.000 0.216 257 A C 1.593 179.197 177.584 0.033 0.000 1.154 257 A CA 1.305 53.362 52.037 0.034 0.000 0.701 257 A CB -0.169 18.846 19.000 0.024 0.000 0.789 257 A HN 0.471 nan 8.150 nan 0.000 0.465 258 E N -0.750 119.470 120.200 0.033 0.000 2.498 258 E HA 0.264 4.614 4.350 0.000 0.000 0.203 258 E C -0.120 176.506 176.600 0.043 0.000 1.013 258 E CA -0.002 56.417 56.400 0.031 0.000 0.927 258 E CB 0.281 29.994 29.700 0.022 0.000 1.012 258 E HN 0.523 nan 8.360 nan 0.000 0.482 259 L N 1.711 122.970 121.223 0.059 0.000 2.334 259 L HA 0.421 4.761 4.340 0.000 0.000 0.270 259 L C -2.180 174.750 176.870 0.099 0.000 1.018 259 L CA -2.135 52.756 54.840 0.085 0.000 0.811 259 L CB 0.762 42.888 42.059 0.112 0.000 1.271 259 L HN -0.232 nan 8.230 nan 0.000 0.443 260 P HA 0.169 nan 4.420 nan 0.000 0.270 260 P C -2.517 174.865 177.300 0.138 0.000 1.223 260 P CA -0.994 62.177 63.100 0.117 0.000 0.785 260 P CB -0.423 31.362 31.700 0.142 0.000 0.923 261 P HA -0.011 nan 4.420 nan 0.000 0.267 261 P C 1.014 178.375 177.300 0.102 0.000 1.200 261 P CA 0.044 63.193 63.100 0.082 0.000 0.772 261 P CB 0.333 32.054 31.700 0.034 0.000 0.855 262 Q N 2.327 122.120 119.800 -0.012 0.000 2.112 262 Q HA -0.243 4.097 4.340 0.000 0.000 0.206 262 Q C 0.336 176.459 176.000 0.204 0.000 0.987 262 Q CA 1.893 57.574 55.803 -0.203 0.000 0.858 262 Q CB -0.176 28.071 28.738 -0.819 0.000 0.905 262 Q HN 0.478 nan 8.270 nan 0.000 0.420 263 N N 0.649 119.415 118.700 0.111 0.000 2.275 263 N HA 0.032 4.772 4.740 0.000 0.000 0.236 263 N C -1.361 174.099 175.510 -0.083 0.000 1.154 263 N CA -0.195 52.954 53.050 0.166 0.000 0.866 263 N CB 0.647 39.178 38.487 0.073 0.000 1.093 263 N HN 0.093 nan 8.380 nan 0.000 0.515 264 D N 0.976 121.333 120.400 -0.072 0.000 2.402 264 D HA 0.110 4.750 4.640 0.000 0.000 0.235 264 D C 0.934 176.966 176.300 -0.447 0.000 1.226 264 D CA -0.014 53.875 54.000 -0.185 0.000 0.918 264 D CB 0.436 41.201 40.800 -0.058 0.000 1.043 264 D HN 0.151 nan 8.370 nan 0.000 0.506 265 R N 2.506 122.559 120.500 -0.745 0.000 2.148 265 R HA -0.061 4.279 4.340 0.000 0.000 0.227 265 R C 1.920 177.946 176.300 -0.457 0.000 1.103 265 R CA 1.025 56.427 56.100 -1.163 0.000 0.983 265 R CB 0.003 29.614 30.300 -1.148 0.000 0.874 265 R HN 0.410 nan 8.270 nan 0.000 0.451 266 A N 1.171 123.829 122.820 -0.270 0.000 2.076 266 A HA -0.143 4.177 4.320 0.000 0.000 0.220 266 A C 1.724 179.290 177.584 -0.031 0.000 1.160 266 A CA 1.198 53.164 52.037 -0.117 0.000 0.653 266 A CB -0.119 18.826 19.000 -0.090 0.000 0.801 266 A HN 0.225 nan 8.150 nan 0.000 0.455 267 R N -2.674 117.823 120.500 -0.005 0.000 2.543 267 R HA 0.063 4.403 4.340 0.000 0.000 0.323 267 R C 0.871 177.312 176.300 0.234 0.000 1.002 267 R CA -0.413 55.744 56.100 0.094 0.000 1.106 267 R CB 0.045 30.393 30.300 0.080 0.000 1.280 267 R HN 0.580 nan 8.270 nan 0.000 0.549 268 W N 1.873 123.187 121.300 0.024 0.000 2.321 268 W HA -0.065 4.595 4.660 0.000 0.000 0.306 268 W C -0.983 175.559 176.519 0.038 0.000 1.217 268 W CA 0.991 58.355 57.345 0.031 0.000 1.257 268 W CB -1.626 27.834 29.460 0.000 0.000 1.145 268 W HN 0.067 nan 8.180 nan 0.000 0.509 269 P HA -0.202 nan 4.420 nan 0.000 0.215 269 P C 1.525 178.900 177.300 0.124 0.000 1.153 269 P CA 2.370 65.553 63.100 0.139 0.000 0.853 269 P CB -0.141 31.620 31.700 0.102 0.000 0.788 270 E N -0.568 119.708 120.200 0.128 0.000 2.051 270 E HA -0.208 4.142 4.350 0.000 0.000 0.192 270 E C 1.868 178.544 176.600 0.126 0.000 0.991 270 E CA 0.914 57.380 56.400 0.110 0.000 0.799 270 E CB -0.551 29.207 29.700 0.098 0.000 0.748 270 E HN -0.014 nan 8.360 nan 0.000 0.449 271 L N 1.575 122.900 121.223 0.170 0.000 2.012 271 L HA -0.185 4.155 4.340 0.000 0.000 0.210 271 L C 2.569 179.533 176.870 0.156 0.000 1.073 271 L CA 1.989 56.938 54.840 0.182 0.000 0.748 271 L CB -0.599 41.615 42.059 0.259 0.000 0.891 271 L HN 0.043 nan 8.230 nan 0.000 0.431 272 R N -0.751 119.838 120.500 0.148 0.000 2.091 272 R HA -0.179 4.161 4.340 0.000 0.000 0.238 272 R C 2.165 178.577 176.300 0.186 0.000 1.136 272 R CA 1.485 57.691 56.100 0.176 0.000 0.959 272 R CB -0.429 29.930 30.300 0.097 0.000 0.856 272 R HN 0.524 nan 8.270 nan 0.000 0.437 273 A N 0.760 123.658 122.820 0.129 0.000 1.940 273 A HA -0.144 4.177 4.320 0.000 0.000 0.219 273 A C 2.152 179.792 177.584 0.093 0.000 1.176 273 A CA 1.253 53.355 52.037 0.108 0.000 0.631 273 A CB -0.458 18.590 19.000 0.080 0.000 0.814 273 A HN 0.347 nan 8.150 nan 0.000 0.446 274 L N -0.702 120.568 121.223 0.078 0.000 2.072 274 L HA -0.126 4.214 4.340 0.000 0.000 0.205 274 L C 2.533 179.395 176.870 -0.012 0.000 1.079 274 L CA 0.909 55.770 54.840 0.035 0.000 0.752 274 L CB -0.459 41.620 42.059 0.034 0.000 0.906 274 L HN 0.368 nan 8.230 nan 0.000 0.436 275 L N -0.973 120.242 121.223 -0.014 0.000 2.046 275 L HA -0.213 4.127 4.340 0.000 0.000 0.208 275 L C 2.612 179.426 176.870 -0.093 0.000 1.077 275 L CA 1.491 56.231 54.840 -0.167 0.000 0.747 275 L CB -1.091 40.826 42.059 -0.236 0.000 0.896 275 L HN 0.275 nan 8.230 nan 0.000 0.432 276 T N -0.849 113.803 114.554 0.164 0.000 2.684 276 T HA -0.265 4.085 4.350 0.000 0.000 0.267 276 T C 1.806 176.605 174.700 0.165 0.000 1.036 276 T CA 1.695 63.973 62.100 0.297 0.000 1.148 276 T CB -0.189 68.850 68.868 0.285 0.000 0.863 276 T HN 0.383 nan 8.240 nan 0.000 0.436 277 E N 0.713 120.966 120.200 0.087 0.000 2.085 277 E HA -0.163 4.187 4.350 0.000 0.000 0.194 277 E C 2.413 179.032 176.600 0.032 0.000 0.994 277 E CA 1.072 57.507 56.400 0.057 0.000 0.801 277 E CB -0.197 29.524 29.700 0.034 0.000 0.743 277 E HN 0.473 nan 8.360 nan 0.000 0.453 278 A N 0.573 123.354 122.820 -0.064 0.000 1.851 278 A HA -0.180 4.140 4.320 0.000 0.000 0.216 278 A C 1.922 179.420 177.584 -0.144 0.000 1.195 278 A CA 1.491 53.425 52.037 -0.172 0.000 0.622 278 A CB -1.024 17.721 19.000 -0.425 0.000 0.831 278 A HN 0.340 nan 8.150 nan 0.000 0.444 279 F N 0.180 120.010 119.950 -0.200 0.000 2.216 279 F HA -0.043 4.484 4.527 0.000 0.000 0.300 279 F C 2.692 178.649 175.800 0.263 0.000 1.085 279 F CA 0.745 58.620 58.000 -0.207 0.000 1.326 279 F CB -0.474 38.323 39.000 -0.337 0.000 1.027 279 F HN 0.252 nan 8.300 nan 0.000 0.497 280 A N -0.553 122.469 122.820 0.337 0.000 2.121 280 A HA -0.118 4.202 4.320 0.000 0.000 0.218 280 A C 2.246 179.954 177.584 0.206 0.000 1.154 280 A CA 1.452 53.643 52.037 0.257 0.000 0.679 280 A CB -0.961 18.136 19.000 0.161 0.000 0.795 280 A HN 0.374 nan 8.150 nan 0.000 0.458 281 S N -1.179 114.658 115.700 0.228 0.000 2.489 281 S HA 0.046 4.516 4.470 0.000 0.000 0.228 281 S C 0.698 175.115 174.600 -0.305 0.000 0.995 281 S CA 0.109 58.305 58.200 -0.007 0.000 0.934 281 S CB -0.253 62.947 63.200 -0.000 0.000 0.771 281 S HN 0.634 nan 8.310 nan 0.000 0.522 282 H N 0.267 119.453 119.070 0.193 0.000 2.985 282 H HA 0.435 4.991 4.556 0.000 0.000 0.360 282 H C -1.207 174.107 175.328 -0.024 0.000 1.221 282 H CA -0.862 55.075 56.048 -0.185 0.000 1.121 282 H CB 1.155 30.383 29.762 -0.890 0.000 1.854 282 H HN 0.192 nan 8.280 nan 0.000 0.551 283 D N 0.586 120.998 120.400 0.020 0.000 2.360 283 D HA 0.012 4.652 4.640 0.000 0.000 0.242 283 D C 1.504 177.874 176.300 0.116 0.000 1.184 283 D CA -0.229 53.809 54.000 0.063 0.000 0.930 283 D CB 1.404 42.210 40.800 0.011 0.000 1.161 283 D HN 0.484 nan 8.370 nan 0.000 0.447 284 R N 0.639 121.235 120.500 0.161 0.000 2.113 284 R HA -0.205 4.135 4.340 0.000 0.000 0.244 284 R C 0.629 177.025 176.300 0.161 0.000 1.142 284 R CA 1.725 57.955 56.100 0.218 0.000 0.953 284 R CB 0.017 30.380 30.300 0.105 0.000 0.860 284 R HN 0.375 nan 8.270 nan 0.000 0.438 285 D N -0.906 119.532 120.400 0.063 0.000 2.224 285 D HA -0.156 4.484 4.640 0.000 0.000 0.205 285 D C 1.721 178.003 176.300 -0.030 0.000 0.965 285 D CA 0.806 54.819 54.000 0.022 0.000 0.852 285 D CB -0.468 40.330 40.800 -0.004 0.000 0.947 285 D HN 0.429 nan 8.370 nan 0.000 0.494 286 H N -0.619 118.338 119.070 -0.189 0.000 2.319 286 H HA -0.156 4.400 4.556 0.000 0.000 0.299 286 H C 1.716 176.824 175.328 -0.367 0.000 1.092 286 H CA 1.600 57.411 56.048 -0.394 0.000 1.302 286 H CB -0.283 29.087 29.762 -0.654 0.000 1.373 286 H HN 0.274 nan 8.280 nan 0.000 0.497 287 W N 0.566 121.917 121.300 0.085 0.000 2.388 287 W HA -0.008 4.652 4.660 0.000 0.000 0.294 287 W C 2.963 179.560 176.519 0.130 0.000 1.212 287 W CA 0.537 57.976 57.345 0.156 0.000 1.271 287 W CB -0.562 29.179 29.460 0.470 0.000 1.126 287 W HN 0.267 nan 8.180 nan 0.000 0.535 288 G N 0.674 109.627 108.800 0.255 0.000 2.469 288 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 288 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 288 G C 1.612 176.540 174.900 0.047 0.000 1.136 288 G CA 1.529 46.717 45.100 0.147 0.000 0.759 288 G HN 0.334 nan 8.290 nan 0.000 0.562 289 A N -0.212 122.557 122.820 -0.084 0.000 1.903 289 A HA 0.267 4.587 4.320 0.000 0.000 0.213 289 A C 2.564 180.013 177.584 -0.225 0.000 1.185 289 A CA 1.365 53.307 52.037 -0.159 0.000 0.628 289 A CB -0.451 18.414 19.000 -0.224 0.000 0.830 289 A HN 0.214 nan 8.150 nan 0.000 0.446 290 V N -1.125 118.562 119.914 -0.378 0.000 2.332 290 V HA -0.219 3.901 4.120 0.000 0.000 0.248 290 V C 1.284 177.104 176.094 -0.457 0.000 1.055 290 V CA 1.590 63.584 62.300 -0.510 0.000 1.038 290 V CB -0.769 30.633 31.823 -0.702 0.000 0.651 290 V HN 0.570 nan 8.190 nan 0.000 0.450 291 F N -0.496 119.470 119.950 0.028 0.000 2.975 291 F HA 0.546 5.073 4.527 0.000 0.000 0.311 291 F C 1.434 177.230 175.800 -0.006 0.000 1.239 291 F CA 0.213 58.229 58.000 0.026 0.000 1.282 291 F CB -0.257 38.782 39.000 0.066 0.000 1.071 291 F HN 0.003 nan 8.300 nan 0.000 0.516 292 A N 0.867 123.731 122.820 0.074 0.000 1.835 292 A HA -0.206 4.114 4.320 0.000 0.000 0.215 292 A C 1.668 179.269 177.584 0.028 0.000 1.199 292 A CA 1.897 53.953 52.037 0.033 0.000 0.615 292 A CB -0.484 18.506 19.000 -0.015 0.000 0.838 292 A HN 0.512 nan 8.150 nan 0.000 0.444 293 N N -1.100 117.612 118.700 0.021 0.000 2.187 293 N HA 0.145 4.885 4.740 0.000 0.000 0.212 293 N C 0.179 175.700 175.510 0.019 0.000 1.152 293 N CA 0.418 53.474 53.050 0.009 0.000 0.872 293 N CB 0.604 39.093 38.487 0.003 0.000 1.025 293 N HN 0.453 nan 8.380 nan 0.000 0.514 294 S N -0.462 115.272 115.700 0.055 0.000 2.652 294 S HA 0.173 4.643 4.470 0.000 0.000 0.270 294 S C 0.300 174.908 174.600 0.012 0.000 1.243 294 S CA -0.476 57.768 58.200 0.073 0.000 0.999 294 S CB 1.024 64.328 63.200 0.173 0.000 0.973 294 S HN -0.018 nan 8.310 nan 0.000 0.544 295 D N 1.466 121.865 120.400 -0.002 0.000 2.370 295 D HA 0.312 4.952 4.640 0.000 0.000 0.230 295 D C 1.482 177.694 176.300 -0.147 0.000 1.143 295 D CA 0.346 54.253 54.000 -0.155 0.000 0.834 295 D CB -0.181 40.556 40.800 -0.104 0.000 0.944 295 D HN 0.629 nan 8.370 nan 0.000 0.504 296 A N -0.496 122.308 122.820 -0.025 0.000 2.172 296 A HA -0.088 4.232 4.320 0.000 0.000 0.216 296 A C 1.457 178.939 177.584 -0.169 0.000 1.154 296 A CA 0.193 52.193 52.037 -0.062 0.000 0.701 296 A CB -0.529 18.396 19.000 -0.124 0.000 0.789 296 A HN 0.421 nan 8.150 nan 0.000 0.465 297 C N -1.354 117.820 119.300 -0.210 0.000 4.350 297 C HA -0.095 4.365 4.460 0.000 0.000 0.302 297 C C 0.271 175.133 174.990 -0.213 0.000 1.390 297 C CA 0.167 59.070 59.018 -0.192 0.000 2.016 297 C CB -3.267 24.407 27.740 -0.111 0.000 1.271 297 C HN 0.418 nan 8.230 nan 0.000 0.760 298 V N 1.079 120.827 119.914 -0.277 0.000 2.444 298 V HA 0.781 4.901 4.120 0.000 0.000 0.294 298 V C 0.387 176.401 176.094 -0.133 0.000 1.022 298 V CA 0.319 62.430 62.300 -0.315 0.000 0.850 298 V CB 2.282 33.682 31.823 -0.705 0.000 0.992 298 V HN 0.594 nan 8.190 nan 0.000 0.426 299 T N 3.363 117.854 114.554 -0.106 0.000 2.906 299 T HA 0.665 5.015 4.350 0.000 0.000 0.295 299 T C -3.100 171.589 174.700 -0.019 0.000 1.061 299 T CA -2.245 59.830 62.100 -0.041 0.000 1.000 299 T CB 2.516 71.344 68.868 -0.067 0.000 1.103 299 T HN 0.433 nan 8.240 nan 0.000 0.486 300 P HA 0.259 nan 4.420 nan 0.000 0.275 300 P C -0.468 176.831 177.300 -0.002 0.000 1.227 300 P CA -0.421 62.698 63.100 0.031 0.000 0.781 300 P CB 0.797 32.518 31.700 0.036 0.000 0.906 301 V N 5.064 124.987 119.914 0.015 0.000 2.338 301 V HA 0.093 4.213 4.120 0.000 0.000 0.255 301 V C 0.797 176.886 176.094 -0.008 0.000 1.082 301 V CA -0.120 62.179 62.300 -0.001 0.000 0.951 301 V CB -0.440 31.406 31.823 0.039 0.000 1.102 301 V HN 0.375 nan 8.190 nan 0.000 0.489 302 L N 4.394 125.586 121.223 -0.051 0.000 2.326 302 L HA 0.622 4.962 4.340 0.000 0.000 0.278 302 L C 0.875 177.664 176.870 -0.134 0.000 1.092 302 L CA -0.156 54.641 54.840 -0.071 0.000 0.810 302 L CB 1.156 43.171 42.059 -0.074 0.000 1.153 302 L HN 0.646 nan 8.230 nan 0.000 0.439 303 A N 2.626 125.375 122.820 -0.118 0.000 2.313 303 A HA 0.326 4.646 4.320 0.000 0.000 0.261 303 A C 0.832 178.320 177.584 -0.159 0.000 1.090 303 A CA -0.153 51.770 52.037 -0.189 0.000 0.807 303 A CB 0.119 19.075 19.000 -0.073 0.000 1.055 303 A HN 0.712 nan 8.150 nan 0.000 0.492 304 F N 0.883 120.821 119.950 -0.020 0.000 2.120 304 F HA -0.161 4.366 4.527 0.000 0.000 0.300 304 F C 2.545 178.308 175.800 -0.062 0.000 1.095 304 F CA 1.689 59.658 58.000 -0.052 0.000 1.249 304 F CB -0.350 38.633 39.000 -0.028 0.000 0.995 304 F HN 0.669 nan 8.300 nan 0.000 0.480 305 G N -0.630 108.281 108.800 0.185 0.000 2.535 305 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 305 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 305 G C 1.242 176.216 174.900 0.123 0.000 1.122 305 G CA 0.601 45.787 45.100 0.143 0.000 0.769 305 G HN 0.407 nan 8.290 nan 0.000 0.549 306 E N -0.474 119.735 120.200 0.015 0.000 2.473 306 E HA 0.124 4.474 4.350 0.000 0.000 0.204 306 E C 2.244 178.719 176.600 -0.209 0.000 0.994 306 E CA -0.290 56.049 56.400 -0.102 0.000 0.945 306 E CB 0.554 30.203 29.700 -0.086 0.000 0.990 306 E HN 0.245 nan 8.360 nan 0.000 0.493 307 V N 2.798 122.615 119.914 -0.161 0.000 2.287 307 V HA -0.289 3.831 4.120 0.000 0.000 0.248 307 V C 2.472 178.353 176.094 -0.354 0.000 1.053 307 V CA 2.246 64.409 62.300 -0.229 0.000 1.027 307 V CB -0.816 30.855 31.823 -0.253 0.000 0.646 307 V HN 0.540 nan 8.190 nan 0.000 0.447 308 H N -0.264 118.465 119.070 -0.569 0.000 2.561 308 H HA -0.030 4.526 4.556 0.000 0.000 0.278 308 H C 1.261 176.331 175.328 -0.431 0.000 1.014 308 H CA 1.244 56.819 56.048 -0.789 0.000 1.211 308 H CB -0.376 28.526 29.762 -1.434 0.000 1.365 308 H HN 0.434 nan 8.280 nan 0.000 0.594 309 N N 0.826 119.062 118.700 -0.773 0.000 2.280 309 N HA -0.023 4.718 4.740 0.000 0.000 0.192 309 N C -0.021 175.345 175.510 -0.240 0.000 1.109 309 N CA 0.089 52.856 53.050 -0.471 0.000 0.855 309 N CB 0.579 38.779 38.487 -0.478 0.000 0.974 309 N HN 0.426 nan 8.380 nan 0.000 0.482 310 E N 1.797 121.878 120.200 -0.199 0.000 2.223 310 E HA 0.165 4.515 4.350 0.000 0.000 0.282 310 E C -1.659 174.915 176.600 -0.043 0.000 1.046 310 E CA -1.917 54.428 56.400 -0.092 0.000 0.857 310 E CB 1.337 31.004 29.700 -0.055 0.000 1.055 310 E HN -0.026 nan 8.360 nan 0.000 0.409 311 P HA -0.178 nan 4.420 nan 0.000 0.216 311 P C 0.712 178.036 177.300 0.041 0.000 1.153 311 P CA 1.333 64.438 63.100 0.007 0.000 0.858 311 P CB 0.049 31.759 31.700 0.017 0.000 0.789 312 H N -0.701 118.361 119.070 -0.012 0.000 2.421 312 H HA -0.077 4.479 4.556 0.000 0.000 0.298 312 H C 1.791 177.129 175.328 0.017 0.000 1.087 312 H CA 1.259 57.308 56.048 0.002 0.000 1.330 312 H CB -0.478 29.284 29.762 0.001 0.000 1.388 312 H HN -0.068 nan 8.280 nan 0.000 0.526 313 I N 0.113 120.716 120.570 0.054 0.000 2.286 313 I HA -0.200 3.970 4.170 0.000 0.000 0.245 313 I C 2.320 178.443 176.117 0.011 0.000 1.104 313 I CA 0.994 62.323 61.300 0.050 0.000 1.397 313 I CB -0.916 37.135 38.000 0.084 0.000 1.072 313 I HN 0.357 nan 8.210 nan 0.000 0.417 314 I N 0.862 121.418 120.570 -0.023 0.000 2.142 314 I HA -0.287 3.883 4.170 0.000 0.000 0.240 314 I C 2.450 178.564 176.117 -0.004 0.000 1.078 314 I CA 1.481 62.774 61.300 -0.012 0.000 1.343 314 I CB -0.459 37.528 38.000 -0.022 0.000 1.046 314 I HN 0.242 nan 8.210 nan 0.000 0.405 315 E N 0.520 120.693 120.200 -0.044 0.000 2.153 315 E HA -0.183 4.167 4.350 0.000 0.000 0.194 315 E C 1.977 178.534 176.600 -0.070 0.000 0.988 315 E CA 0.875 57.245 56.400 -0.051 0.000 0.811 315 E CB -0.032 29.631 29.700 -0.061 0.000 0.746 315 E HN 0.446 nan 8.360 nan 0.000 0.466 316 R N 0.498 120.923 120.500 -0.125 0.000 2.334 316 R HA 0.104 4.444 4.340 0.000 0.000 0.216 316 R C -0.101 176.176 176.300 -0.039 0.000 0.905 316 R CA -0.102 55.925 56.100 -0.121 0.000 1.064 316 R CB 0.220 30.377 30.300 -0.238 0.000 1.046 316 R HN 0.097 nan 8.270 nan 0.000 0.508 317 N N 1.063 119.773 118.700 0.017 0.000 2.705 317 N HA -0.178 4.562 4.740 0.000 0.000 0.255 317 N C 0.144 175.699 175.510 0.075 0.000 1.008 317 N CA 1.037 54.142 53.050 0.091 0.000 0.742 317 N CB -0.825 37.718 38.487 0.093 0.000 0.906 317 N HN 0.227 nan 8.380 nan 0.000 0.541 318 T N -1.052 113.529 114.554 0.044 0.000 2.915 318 T HA -0.027 4.323 4.350 0.000 0.000 0.269 318 T C 0.579 175.107 174.700 -0.287 0.000 1.071 318 T CA 1.111 63.150 62.100 -0.102 0.000 1.132 318 T CB 0.029 68.849 68.868 -0.080 0.000 0.878 318 T HN 0.292 nan 8.240 nan 0.000 0.479 319 F N 0.186 120.243 119.950 0.179 0.000 2.579 319 F HA 0.567 5.094 4.527 0.000 0.000 0.324 319 F C -0.383 175.728 175.800 0.519 0.000 1.058 319 F CA -1.858 56.327 58.000 0.309 0.000 0.944 319 F CB 1.443 40.607 39.000 0.273 0.000 1.245 319 F HN 0.073 nan 8.300 nan 0.000 0.477 320 Y N -1.642 118.981 120.300 0.539 0.000 2.576 320 Y HA 0.636 5.186 4.550 0.000 0.000 0.346 320 Y C -0.978 174.960 175.900 0.064 0.000 1.018 320 Y CA -1.390 56.900 58.100 0.317 0.000 1.050 320 Y CB 1.052 39.584 38.460 0.120 0.000 1.280 320 Y HN 0.526 nan 8.280 nan 0.000 0.474 321 E N 1.706 121.662 120.200 -0.407 0.000 2.152 321 E HA 0.554 4.904 4.350 0.000 0.000 0.285 321 E C -1.093 175.302 176.600 -0.342 0.000 1.043 321 E CA -0.634 55.292 56.400 -0.791 0.000 0.839 321 E CB 1.070 30.180 29.700 -0.983 0.000 1.069 321 E HN 0.727 nan 8.360 nan 0.000 0.399 322 A N 4.446 127.033 122.820 -0.390 0.000 2.310 322 A HA 0.305 4.625 4.320 0.000 0.000 0.304 322 A C -0.560 176.925 177.584 -0.166 0.000 1.231 322 A CA -0.946 50.998 52.037 -0.155 0.000 0.799 322 A CB 0.321 19.230 19.000 -0.152 0.000 1.162 322 A HN 0.714 nan 8.150 nan 0.000 0.486 323 N N 1.634 120.264 118.700 -0.117 0.000 2.845 323 N HA -0.139 4.601 4.740 0.000 0.000 0.310 323 N C 1.192 176.632 175.510 -0.118 0.000 1.148 323 N CA 2.332 55.320 53.050 -0.104 0.000 0.752 323 N CB -0.312 38.140 38.487 -0.058 0.000 1.017 323 N HN 1.832 nan 8.380 nan 0.000 0.583 324 G N -0.474 108.241 108.800 -0.142 0.000 2.136 324 G HA2 0.131 4.091 3.960 0.000 0.000 0.242 324 G HA3 0.131 4.091 3.960 0.000 0.000 0.242 324 G C 0.394 175.212 174.900 -0.137 0.000 0.989 324 G CA 0.322 45.350 45.100 -0.120 0.000 0.682 324 G HN 1.372 nan 8.290 nan 0.000 0.522 325 G N -2.409 106.263 108.800 -0.214 0.000 2.361 325 G HA2 0.450 4.410 3.960 0.000 0.000 0.299 325 G HA3 0.450 4.410 3.960 0.000 0.000 0.299 325 G C -0.693 174.028 174.900 -0.299 0.000 1.544 325 G CA -0.368 44.614 45.100 -0.198 0.000 0.860 325 G HN 0.691 nan 8.290 nan 0.000 0.610 326 W N 0.670 121.852 121.300 -0.197 0.000 2.218 326 W HA 0.616 5.276 4.660 0.000 0.000 0.326 326 W C 0.460 176.890 176.519 -0.149 0.000 1.276 326 W CA 0.041 57.273 57.345 -0.189 0.000 1.210 326 W CB 1.035 30.366 29.460 -0.214 0.000 1.143 326 W HN 0.315 nan 8.180 nan 0.000 0.563 327 Q N 3.476 123.273 119.800 -0.006 0.000 2.397 327 Q HA 0.366 4.706 4.340 0.000 0.000 0.275 327 Q C -2.468 173.607 176.000 0.124 0.000 1.090 327 Q CA -2.273 53.503 55.803 -0.046 0.000 0.809 327 Q CB 1.874 30.370 28.738 -0.402 0.000 1.362 327 Q HN 0.132 nan 8.270 nan 0.000 0.431 328 P HA 0.131 nan 4.420 nan 0.000 0.276 328 P C -0.223 177.114 177.300 0.062 0.000 1.230 328 P CA -0.235 62.706 63.100 -0.266 0.000 0.776 328 P CB 0.626 32.176 31.700 -0.250 0.000 0.888 329 M N 3.855 123.488 119.600 0.055 0.000 2.198 329 M HA 0.225 4.705 4.480 0.000 0.000 0.315 329 M C -1.864 174.444 176.300 0.014 0.000 1.134 329 M CA -1.761 53.613 55.300 0.123 0.000 1.171 329 M CB -1.072 31.573 32.600 0.074 0.000 1.413 329 M HN 0.184 nan 8.290 nan 0.000 0.467 330 P HA 0.150 nan 4.420 nan 0.000 0.265 330 P C -1.309 175.993 177.300 0.003 0.000 1.187 330 P CA 0.130 63.235 63.100 0.008 0.000 0.766 330 P CB 0.419 32.133 31.700 0.023 0.000 0.820 331 A N 3.480 126.302 122.820 0.003 0.000 2.498 331 A HA 0.771 5.091 4.320 0.000 0.000 0.298 331 A C -2.440 175.150 177.584 0.010 0.000 1.075 331 A CA -1.222 50.802 52.037 -0.021 0.000 0.714 331 A CB 0.656 19.630 19.000 -0.043 0.000 1.299 331 A HN 0.404 nan 8.150 nan 0.000 0.407 332 P HA 0.477 nan 4.420 nan 0.000 0.297 332 P C -0.861 176.225 177.300 -0.357 0.000 1.303 332 P CA -0.427 62.541 63.100 -0.220 0.000 0.753 332 P CB 0.558 32.073 31.700 -0.309 0.000 1.281 333 R N -0.995 119.233 120.500 -0.453 0.000 2.604 333 R HA 0.612 4.952 4.340 0.000 0.000 0.287 333 R C -0.751 175.163 176.300 -0.643 0.000 0.970 333 R CA -0.435 55.457 56.100 -0.348 0.000 0.946 333 R CB 0.828 31.035 30.300 -0.154 0.000 1.127 333 R HN 0.366 nan 8.270 nan 0.000 0.473 334 F N -0.114 119.825 119.950 -0.019 0.000 2.507 334 F HA 0.161 4.688 4.527 0.000 0.000 0.325 334 F C 1.436 177.229 175.800 -0.012 0.000 1.116 334 F CA -0.716 57.275 58.000 -0.015 0.000 0.930 334 F CB 2.149 41.139 39.000 -0.016 0.000 1.146 334 F HN 0.592 nan 8.300 nan 0.000 0.447 335 S N 2.039 117.814 115.700 0.125 0.000 2.428 335 S HA -0.065 4.405 4.470 0.000 0.000 0.230 335 S C 1.787 176.431 174.600 0.074 0.000 1.014 335 S CA 0.942 59.184 58.200 0.070 0.000 0.957 335 S CB -0.023 63.200 63.200 0.039 0.000 0.784 335 S HN 0.781 nan 8.310 nan 0.000 0.499 336 R N 1.299 121.856 120.500 0.096 0.000 2.119 336 R HA 0.093 4.433 4.340 0.000 0.000 0.202 336 R C 0.201 176.530 176.300 0.048 0.000 1.114 336 R CA 1.215 57.351 56.100 0.059 0.000 1.089 336 R CB -0.003 30.325 30.300 0.047 0.000 1.000 336 R HN 0.483 nan 8.270 nan 0.000 0.487 337 T N -0.181 114.405 114.554 0.053 0.000 3.400 337 T HA 0.633 4.983 4.350 0.000 0.000 0.364 337 T C -0.150 174.562 174.700 0.020 0.000 1.636 337 T CA -0.628 61.470 62.100 -0.004 0.000 1.211 337 T CB 1.115 69.934 68.868 -0.081 0.000 1.180 337 T HN 0.293 nan 8.240 nan 0.000 0.730 338 A N 2.580 125.436 122.820 0.060 0.000 2.425 338 A HA 0.600 4.920 4.320 0.000 0.000 0.249 338 A C 0.756 178.366 177.584 0.043 0.000 1.084 338 A CA -0.598 51.499 52.037 0.100 0.000 0.781 338 A CB 0.154 19.196 19.000 0.071 0.000 1.019 338 A HN 0.714 nan 8.150 nan 0.000 0.490 339 S N 1.169 116.914 115.700 0.074 0.000 2.572 339 S HA 0.309 4.779 4.470 0.000 0.000 0.279 339 S C 0.752 175.343 174.600 -0.014 0.000 1.341 339 S CA -0.389 57.820 58.200 0.016 0.000 1.043 339 S CB 0.626 63.855 63.200 0.049 0.000 0.887 339 S HN 0.768 nan 8.310 nan 0.000 0.516 340 S N 1.495 117.168 115.700 -0.045 0.000 2.645 340 S HA 0.205 4.675 4.470 0.000 0.000 0.266 340 S C 0.160 174.687 174.600 -0.121 0.000 1.258 340 S CA -0.741 57.417 58.200 -0.069 0.000 0.990 340 S CB 0.499 63.659 63.200 -0.068 0.000 0.967 340 S HN 0.747 nan 8.310 nan 0.000 0.556 341 Q N 1.338 121.036 119.800 -0.169 0.000 2.300 341 Q HA 0.088 4.428 4.340 0.000 0.000 0.280 341 Q C -2.391 173.416 176.000 -0.321 0.000 1.033 341 Q CA -1.254 54.348 55.803 -0.335 0.000 0.903 341 Q CB 0.032 28.570 28.738 -0.335 0.000 1.195 341 Q HN 0.210 nan 8.270 nan 0.000 0.386 342 P HA -0.062 nan 4.420 nan 0.000 0.264 342 P C -1.122 176.103 177.300 -0.125 0.000 1.183 342 P CA 0.536 63.517 63.100 -0.197 0.000 0.763 342 P CB 0.456 32.098 31.700 -0.095 0.000 0.807 343 R N 5.074 125.539 120.500 -0.058 0.000 2.347 343 R HA 0.231 4.571 4.340 0.000 0.000 0.304 343 R C -1.834 174.471 176.300 0.008 0.000 1.072 343 R CA -1.501 54.582 56.100 -0.028 0.000 0.980 343 R CB -0.075 30.211 30.300 -0.022 0.000 0.986 343 R HN 0.444 nan 8.270 nan 0.000 0.448 344 P HA 0.100 nan 4.420 nan 0.000 0.272 344 P C -2.478 174.835 177.300 0.021 0.000 1.240 344 P CA -1.399 61.725 63.100 0.040 0.000 0.791 344 P CB -0.147 31.575 31.700 0.037 0.000 0.978 345 P HA 0.134 nan 4.420 nan 0.000 0.265 345 P C -0.515 176.787 177.300 0.004 0.000 1.187 345 P CA 0.782 63.889 63.100 0.012 0.000 0.766 345 P CB 0.087 31.795 31.700 0.013 0.000 0.820 346 A N 2.240 125.060 122.820 -0.001 0.000 2.486 346 A HA 0.786 5.106 4.320 0.000 0.000 0.289 346 A C -0.579 177.000 177.584 -0.008 0.000 1.176 346 A CA -0.505 51.528 52.037 -0.005 0.000 0.757 346 A CB 0.860 19.855 19.000 -0.008 0.000 1.337 346 A HN 0.537 nan 8.150 nan 0.000 0.423 347 A N 0.141 122.955 122.820 -0.010 0.000 2.555 347 A HA 0.473 4.793 4.320 0.000 0.000 0.233 347 A C 0.720 178.294 177.584 -0.017 0.000 1.060 347 A CA 0.747 52.776 52.037 -0.012 0.000 0.759 347 A CB -0.709 18.283 19.000 -0.013 0.000 0.995 347 A HN 0.959 nan 8.150 nan 0.000 0.506 348 T N 1.850 116.394 114.554 -0.017 0.000 2.940 348 T HA 0.394 4.744 4.350 0.000 0.000 0.309 348 T C 0.454 175.137 174.700 -0.029 0.000 1.056 348 T CA 1.049 63.135 62.100 -0.023 0.000 1.137 348 T CB -0.287 68.570 68.868 -0.019 0.000 0.976 348 T HN 0.610 nan 8.240 nan 0.000 0.547 349 I N -0.824 119.722 120.570 -0.041 0.000 2.846 349 I HA 0.622 4.792 4.170 0.000 0.000 0.307 349 I C -0.377 175.707 176.117 -0.055 0.000 1.053 349 I CA -1.472 59.800 61.300 -0.047 0.000 1.050 349 I CB 1.716 39.682 38.000 -0.056 0.000 1.239 349 I HN 0.272 nan 8.210 nan 0.000 0.439 350 D N 2.578 122.947 120.400 -0.052 0.000 2.450 350 D HA 0.052 4.692 4.640 0.000 0.000 0.247 350 D C 0.891 177.146 176.300 -0.076 0.000 1.162 350 D CA 0.276 54.244 54.000 -0.053 0.000 0.879 350 D CB 0.999 41.773 40.800 -0.042 0.000 1.163 350 D HN 0.693 nan 8.370 nan 0.000 0.472 351 I N 3.310 123.835 120.570 -0.077 0.000 2.335 351 I HA -0.209 3.961 4.170 0.000 0.000 0.251 351 I C 1.606 177.662 176.117 -0.103 0.000 1.129 351 I CA 1.175 62.414 61.300 -0.102 0.000 1.402 351 I CB 0.170 38.122 38.000 -0.080 0.000 1.069 351 I HN 0.462 nan 8.210 nan 0.000 0.424 352 E N 0.862 121.021 120.200 -0.069 0.000 2.204 352 E HA -0.184 4.166 4.350 0.000 0.000 0.194 352 E C 2.158 178.720 176.600 -0.063 0.000 0.989 352 E CA 1.170 57.537 56.400 -0.055 0.000 0.824 352 E CB -0.088 29.592 29.700 -0.034 0.000 0.756 352 E HN 0.674 nan 8.360 nan 0.000 0.477 353 A N 0.706 123.482 122.820 -0.075 0.000 1.968 353 A HA -0.063 4.257 4.320 0.000 0.000 0.217 353 A C 2.482 179.998 177.584 -0.113 0.000 1.169 353 A CA 0.710 52.704 52.037 -0.073 0.000 0.638 353 A CB -0.228 18.734 19.000 -0.063 0.000 0.812 353 A HN 0.101 nan 8.150 nan 0.000 0.446 354 V N 0.036 119.839 119.914 -0.184 0.000 2.379 354 V HA -0.193 3.927 4.120 0.000 0.000 0.245 354 V C 2.494 178.397 176.094 -0.319 0.000 1.044 354 V CA 1.579 63.674 62.300 -0.342 0.000 1.036 354 V CB -0.740 30.788 31.823 -0.491 0.000 0.664 354 V HN 0.550 nan 8.190 nan 0.000 0.453 355 L N -0.151 120.963 121.223 -0.182 0.000 2.046 355 L HA -0.193 4.147 4.340 0.000 0.000 0.208 355 L C 2.677 179.556 176.870 0.015 0.000 1.077 355 L CA 1.992 56.800 54.840 -0.054 0.000 0.747 355 L CB -0.880 41.163 42.059 -0.028 0.000 0.896 355 L HN 0.365 nan 8.230 nan 0.000 0.432 356 T N -1.098 113.450 114.554 -0.009 0.000 2.720 356 T HA -0.239 4.111 4.350 0.000 0.000 0.268 356 T C 1.494 176.222 174.700 0.047 0.000 1.037 356 T CA 1.773 63.883 62.100 0.017 0.000 1.144 356 T CB -0.273 68.594 68.868 -0.001 0.000 0.864 356 T HN 0.386 nan 8.240 nan 0.000 0.444 357 D N -0.127 120.292 120.400 0.032 0.000 2.097 357 D HA -0.125 4.515 4.640 0.000 0.000 0.195 357 D C 1.608 178.065 176.300 0.263 0.000 0.989 357 D CA 1.072 55.130 54.000 0.096 0.000 0.827 357 D CB -0.231 40.588 40.800 0.033 0.000 0.966 357 D HN 0.393 nan 8.370 nan 0.000 0.456 358 W N 0.508 121.803 121.300 -0.007 0.000 2.519 358 W HA 0.163 4.823 4.660 0.000 0.000 0.266 358 W C 0.552 177.067 176.519 -0.006 0.000 1.253 358 W CA 1.054 58.395 57.345 -0.007 0.000 1.274 358 W CB -0.496 28.960 29.460 -0.007 0.000 1.114 358 W HN 0.131 nan 8.180 nan 0.000 0.596 359 D N -3.182 117.341 120.400 0.205 0.000 3.102 359 D HA -0.096 4.544 4.640 0.000 0.000 0.210 359 D C 0.796 177.158 176.300 0.104 0.000 1.077 359 D CA 1.019 55.087 54.000 0.114 0.000 0.969 359 D CB -1.336 39.510 40.800 0.077 0.000 1.084 359 D HN 0.157 nan 8.370 nan 0.000 0.432 360 G N 0.000 108.883 108.800 0.138 0.000 5.446 360 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 360 G CA 0.000 45.165 45.100 0.109 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925