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 1uc2_1_B DATA FIRST_RESID 2 DATA SEQUENCE VVPLKRIDKI RWEIPKFDKR MRVPGRVYAD EVLLEKMKND RTLEQATNVA DATA SEQUENCE MLPGIYKYSI VMPDGHQGYG FPIGGVAAFD VKEGVISPGG IGYDINCGVR DATA SEQUENCE LIRTNLTEKE VRPRIKQLVD TLFKNVPSGV GSQGRIKLHW TQIDDVLVDG DATA SEQUENCE AKWAVDNGYG WERDLERLEE GGRMEGADPE AVSQRAKQRG APQLGSLGSG DATA SEQUENCE NHFLEVQVVD KIFDPEVAKA YGLFEGQVVV MVHTGSRGLG HQVASDYLRI DATA SEQUENCE MERAIRKYRI PWPDRELVSV PFQSEEGQRY FSAMKAAANF AWANRQMITH DATA SEQUENCE WVRESFQEVF KQDPEGDLGM DIVYDVAHNI GKVEEHEVDG KRVKVIVHRK DATA SEQUENCE GATRAFPPGH EAVPRLYRDV GQPVLIPGSM GTASYILAGT EGAMKETFGS DATA SEQUENCE TCHGAGRVLS RKAATRQYRG DRIRQELLNR GIYVRAASMR VVAEEAPGAY DATA SEQUENCE KNVDNVVKVV SEAGIAKLVA RMRPIGVAKG 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.966 176.094 -0.213 0.000 1.182 2 V CA 0.000 62.231 62.300 -0.115 0.000 1.235 2 V CB 0.000 31.762 31.823 -0.101 0.000 1.184 3 V N 6.197 125.973 119.914 -0.229 0.000 2.488 3 V HA 0.353 4.473 4.120 -0.001 0.000 0.277 3 V C -1.548 174.300 176.094 -0.409 0.000 1.046 3 V CA -1.145 60.914 62.300 -0.402 0.000 0.986 3 V CB 1.393 33.099 31.823 -0.195 0.000 0.989 3 V HN 0.705 nan 8.190 nan 0.000 0.475 4 P HA 0.404 nan 4.420 nan 0.000 0.271 4 P C -0.945 176.250 177.300 -0.174 0.000 1.218 4 P CA -0.234 62.664 63.100 -0.336 0.000 0.780 4 P CB 0.722 32.208 31.700 -0.357 0.000 0.901 5 L N 2.023 123.215 121.223 -0.052 0.000 2.408 5 L HA 0.482 4.821 4.340 -0.001 0.000 0.268 5 L C 0.177 177.112 176.870 0.109 0.000 0.986 5 L CA -0.670 54.210 54.840 0.067 0.000 0.820 5 L CB 2.413 44.557 42.059 0.141 0.000 1.303 5 L HN 0.217 nan 8.230 nan 0.000 0.411 6 K N 2.965 123.431 120.400 0.110 0.000 2.507 6 K HA 0.381 4.701 4.320 -0.001 0.000 0.253 6 K C -0.691 175.902 176.600 -0.011 0.000 0.969 6 K CA -0.715 55.596 56.287 0.040 0.000 0.908 6 K CB 2.150 34.656 32.500 0.010 0.000 1.127 6 K HN 0.426 nan 8.250 nan 0.000 0.437 7 R N 3.618 124.029 120.500 -0.147 0.000 2.401 7 R HA 0.117 4.457 4.340 -0.001 0.000 0.299 7 R C 0.632 176.702 176.300 -0.383 0.000 1.064 7 R CA 0.193 55.969 56.100 -0.541 0.000 1.000 7 R CB 0.386 30.110 30.300 -0.960 0.000 0.973 7 R HN 0.670 nan 8.270 nan 0.000 0.438 8 I N 2.441 122.779 120.570 -0.387 0.000 2.628 8 I HA -0.005 4.165 4.170 -0.001 0.000 0.255 8 I C 0.246 176.210 176.117 -0.255 0.000 1.119 8 I CA 0.663 61.813 61.300 -0.250 0.000 1.448 8 I CB 0.010 37.889 38.000 -0.202 0.000 1.133 8 I HN 0.746 nan 8.210 nan 0.000 0.438 9 D N -1.809 118.387 120.400 -0.339 0.000 3.145 9 D HA 0.109 4.749 4.640 -0.001 0.000 0.345 9 D C 0.260 176.369 176.300 -0.318 0.000 1.391 9 D CA -0.690 53.155 54.000 -0.259 0.000 0.930 9 D CB 0.370 41.079 40.800 -0.152 0.000 1.451 9 D HN -0.306 nan 8.370 nan 0.000 0.555 10 K N -0.704 119.584 120.400 -0.187 0.000 2.211 10 K HA 0.012 4.332 4.320 -0.001 0.000 0.204 10 K C 1.274 177.822 176.600 -0.086 0.000 1.047 10 K CA 1.678 57.882 56.287 -0.139 0.000 0.935 10 K CB -0.227 32.238 32.500 -0.058 0.000 0.728 10 K HN 0.536 nan 8.250 nan 0.000 0.452 11 I N -2.868 117.663 120.570 -0.065 0.000 4.225 11 I HA 0.228 4.398 4.170 -0.001 0.000 0.327 11 I C -0.580 175.571 176.117 0.057 0.000 1.422 11 I CA -0.156 61.188 61.300 0.074 0.000 1.150 11 I CB 0.147 38.221 38.000 0.123 0.000 1.192 11 I HN -0.123 nan 8.210 nan 0.000 0.440 12 R N 0.944 121.341 120.500 -0.173 0.000 2.494 12 R HA 0.591 4.931 4.340 -0.001 0.000 0.305 12 R C -1.988 174.113 176.300 -0.331 0.000 0.959 12 R CA -0.304 55.637 56.100 -0.265 0.000 0.864 12 R CB 1.718 31.849 30.300 -0.282 0.000 1.159 12 R HN 0.093 nan 8.270 nan 0.000 0.446 13 W N 1.144 122.268 121.300 -0.293 0.000 2.915 13 W HA 0.336 4.995 4.660 -0.000 0.000 0.337 13 W C -0.274 176.117 176.519 -0.213 0.000 1.102 13 W CA -0.663 56.563 57.345 -0.198 0.000 1.224 13 W CB 1.420 30.793 29.460 -0.146 0.000 1.416 13 W HN 0.440 nan 8.180 nan 0.000 0.503 14 E N 2.710 122.954 120.200 0.074 0.000 2.179 14 E HA 0.531 4.881 4.350 -0.001 0.000 0.275 14 E C -1.092 175.548 176.600 0.066 0.000 0.945 14 E CA -0.594 55.818 56.400 0.019 0.000 0.792 14 E CB 1.145 30.846 29.700 0.001 0.000 1.125 14 E HN 0.499 nan 8.360 nan 0.000 0.397 15 I N 6.815 127.422 120.570 0.062 0.000 2.291 15 I HA 0.247 4.417 4.170 -0.001 0.000 0.290 15 I C -2.092 174.111 176.117 0.143 0.000 1.050 15 I CA -2.354 59.003 61.300 0.096 0.000 1.245 15 I CB 1.049 39.117 38.000 0.114 0.000 1.405 15 I HN 0.382 nan 8.210 nan 0.000 0.478 16 P HA 0.044 nan 4.420 nan 0.000 0.271 16 P C -0.765 176.682 177.300 0.245 0.000 1.233 16 P CA -0.431 62.767 63.100 0.163 0.000 0.789 16 P CB 0.470 32.248 31.700 0.131 0.000 0.951 17 K N 1.359 121.847 120.400 0.147 0.000 2.480 17 K HA 0.097 4.417 4.320 -0.001 0.000 0.241 17 K C 0.671 177.311 176.600 0.066 0.000 1.261 17 K CA 0.124 56.454 56.287 0.071 0.000 1.193 17 K CB -1.108 31.409 32.500 0.028 0.000 1.598 17 K HN 0.498 nan 8.250 nan 0.000 0.278 18 F N -1.020 118.932 119.950 0.002 0.000 2.661 18 F HA 0.106 4.633 4.527 -0.001 0.000 0.298 18 F C 0.465 176.261 175.800 -0.006 0.000 1.137 18 F CA -0.330 57.669 58.000 -0.001 0.000 1.454 18 F CB 0.232 39.230 39.000 -0.003 0.000 1.103 18 F HN 0.052 nan 8.300 nan 0.000 0.577 19 D N 1.363 121.301 120.400 -0.770 0.000 2.375 19 D HA 0.123 4.763 4.640 -0.001 0.000 0.247 19 D C 0.700 176.818 176.300 -0.304 0.000 1.061 19 D CA -0.355 53.278 54.000 -0.611 0.000 0.834 19 D CB 2.003 42.272 40.800 -0.885 0.000 1.247 19 D HN -0.071 nan 8.370 nan 0.000 0.489 20 K N 2.898 123.190 120.400 -0.179 0.000 2.280 20 K HA -0.058 4.261 4.320 -0.001 0.000 0.202 20 K C 1.522 178.061 176.600 -0.102 0.000 1.047 20 K CA 1.209 57.431 56.287 -0.108 0.000 0.942 20 K CB 0.032 32.490 32.500 -0.069 0.000 0.739 20 K HN 0.370 nan 8.250 nan 0.000 0.457 21 R N -0.571 119.852 120.500 -0.127 0.000 2.276 21 R HA 0.145 4.484 4.340 -0.001 0.000 0.203 21 R C 0.246 176.487 176.300 -0.099 0.000 1.017 21 R CA 0.102 56.142 56.100 -0.099 0.000 1.010 21 R CB -0.132 30.108 30.300 -0.101 0.000 0.900 21 R HN 0.178 nan 8.270 nan 0.000 0.469 22 M N 0.535 120.057 119.600 -0.130 0.000 2.219 22 M HA 0.061 4.541 4.480 -0.001 0.000 0.353 22 M C 1.001 177.267 176.300 -0.057 0.000 1.304 22 M CA 0.667 55.907 55.300 -0.101 0.000 1.115 22 M CB 0.929 33.453 32.600 -0.126 0.000 1.664 22 M HN -0.036 nan 8.290 nan 0.000 0.459 23 R N 1.585 122.063 120.500 -0.036 0.000 2.265 23 R HA 0.193 4.533 4.340 -0.001 0.000 0.194 23 R C -0.104 176.189 176.300 -0.011 0.000 0.931 23 R CA 0.236 56.320 56.100 -0.026 0.000 1.032 23 R CB 0.396 30.678 30.300 -0.029 0.000 0.980 23 R HN 0.676 nan 8.270 nan 0.000 0.497 24 V N -3.144 116.774 119.914 0.006 0.000 3.216 24 V HA 0.534 4.654 4.120 -0.001 0.000 0.302 24 V C -2.859 173.280 176.094 0.075 0.000 1.286 24 V CA -2.710 59.615 62.300 0.043 0.000 1.048 24 V CB 2.577 34.428 31.823 0.047 0.000 1.081 24 V HN -0.184 nan 8.190 nan 0.000 0.442 25 P HA 0.442 nan 4.420 nan 0.000 0.289 25 P C -0.071 177.326 177.300 0.161 0.000 1.299 25 P CA 0.138 63.318 63.100 0.133 0.000 0.766 25 P CB 0.943 32.727 31.700 0.141 0.000 1.226 26 G N -0.657 108.214 108.800 0.118 0.000 2.471 26 G HA2 0.605 4.565 3.960 -0.001 0.000 0.332 26 G HA3 0.605 4.565 3.960 -0.001 0.000 0.332 26 G C -1.053 173.832 174.900 -0.024 0.000 1.176 26 G CA -0.494 44.656 45.100 0.082 0.000 0.949 26 G HN 0.520 nan 8.290 nan 0.000 0.488 27 R N 0.223 120.645 120.500 -0.130 0.000 2.514 27 R HA 0.553 4.892 4.340 -0.001 0.000 0.296 27 R C -1.680 174.482 176.300 -0.230 0.000 1.012 27 R CA -0.450 55.432 56.100 -0.364 0.000 0.897 27 R CB 1.570 31.307 30.300 -0.937 0.000 1.184 27 R HN 0.382 nan 8.270 nan 0.000 0.440 28 V N 5.594 125.376 119.914 -0.220 0.000 2.495 28 V HA 0.470 4.590 4.120 -0.001 0.000 0.298 28 V C -1.035 174.939 176.094 -0.201 0.000 1.031 28 V CA -0.705 61.526 62.300 -0.115 0.000 0.871 28 V CB 1.637 33.412 31.823 -0.080 0.000 0.988 28 V HN 0.664 nan 8.190 nan 0.000 0.432 29 Y N 3.273 123.612 120.300 0.066 0.000 2.417 29 Y HA 0.773 5.323 4.550 -0.001 0.000 0.336 29 Y C 0.414 176.373 175.900 0.099 0.000 0.961 29 Y CA -0.143 58.015 58.100 0.096 0.000 1.215 29 Y CB 1.634 40.121 38.460 0.046 0.000 1.120 29 Y HN 0.842 nan 8.280 nan 0.000 0.499 30 A N 2.170 125.145 122.820 0.259 0.000 2.583 30 A HA 0.544 4.864 4.320 -0.001 0.000 0.292 30 A C -1.509 176.270 177.584 0.324 0.000 1.045 30 A CA -1.097 51.049 52.037 0.182 0.000 0.672 30 A CB 0.951 19.945 19.000 -0.010 0.000 1.283 30 A HN 0.617 nan 8.150 nan 0.000 0.419 31 D N -0.179 120.350 120.400 0.216 0.000 2.466 31 D HA 0.407 5.047 4.640 -0.001 0.000 0.262 31 D C 1.116 177.552 176.300 0.227 0.000 1.177 31 D CA 0.103 54.256 54.000 0.256 0.000 1.035 31 D CB 0.402 41.287 40.800 0.141 0.000 1.105 31 D HN 0.549 nan 8.370 nan 0.000 0.551 32 E N 0.077 120.435 120.200 0.263 0.000 2.204 32 E HA -0.141 4.209 4.350 -0.001 0.000 0.195 32 E C 1.691 178.303 176.600 0.020 0.000 0.990 32 E CA 0.855 57.355 56.400 0.166 0.000 0.821 32 E CB -0.618 29.216 29.700 0.222 0.000 0.750 32 E HN 0.337 nan 8.360 nan 0.000 0.477 33 V N 1.638 121.573 119.914 0.035 0.000 2.323 33 V HA -0.182 3.937 4.120 -0.001 0.000 0.244 33 V C 2.667 178.749 176.094 -0.019 0.000 1.041 33 V CA 1.303 63.607 62.300 0.008 0.000 1.025 33 V CB -0.508 31.330 31.823 0.024 0.000 0.656 33 V HN 0.162 nan 8.190 nan 0.000 0.451 34 L N -0.671 120.545 121.223 -0.011 0.000 2.141 34 L HA -0.144 4.196 4.340 -0.001 0.000 0.209 34 L C 2.412 179.230 176.870 -0.087 0.000 1.094 34 L CA 1.019 55.846 54.840 -0.022 0.000 0.763 34 L CB -0.515 41.549 42.059 0.009 0.000 0.908 34 L HN 0.327 nan 8.230 nan 0.000 0.437 35 L N 0.177 121.297 121.223 -0.171 0.000 2.046 35 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 35 L C 2.453 179.173 176.870 -0.250 0.000 1.077 35 L CA 1.706 56.342 54.840 -0.339 0.000 0.747 35 L CB -0.367 41.264 42.059 -0.713 0.000 0.896 35 L HN 0.137 nan 8.230 nan 0.000 0.432 36 E N 0.007 120.102 120.200 -0.175 0.000 2.118 36 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 36 E C 2.119 178.667 176.600 -0.088 0.000 0.992 36 E CA 1.541 57.868 56.400 -0.122 0.000 0.804 36 E CB -0.078 29.577 29.700 -0.075 0.000 0.741 36 E HN 0.491 nan 8.360 nan 0.000 0.458 37 K N -0.483 119.876 120.400 -0.068 0.000 2.097 37 K HA -0.082 4.237 4.320 -0.001 0.000 0.206 37 K C 2.179 178.755 176.600 -0.040 0.000 1.049 37 K CA 1.573 57.835 56.287 -0.042 0.000 0.933 37 K CB -0.188 32.297 32.500 -0.025 0.000 0.717 37 K HN 0.230 nan 8.250 nan 0.000 0.442 38 M N 0.822 120.386 119.600 -0.060 0.000 2.279 38 M HA -0.141 4.339 4.480 -0.001 0.000 0.264 38 M C 1.701 177.962 176.300 -0.065 0.000 1.062 38 M CA 1.486 56.755 55.300 -0.052 0.000 1.099 38 M CB -0.154 32.395 32.600 -0.085 0.000 1.394 38 M HN 0.035 nan 8.290 nan 0.000 0.426 39 K N -0.042 120.304 120.400 -0.091 0.000 2.296 39 K HA -0.027 4.293 4.320 -0.001 0.000 0.200 39 K C 1.420 177.986 176.600 -0.056 0.000 1.048 39 K CA 0.653 56.888 56.287 -0.087 0.000 0.966 39 K CB -0.103 32.333 32.500 -0.107 0.000 0.754 39 K HN 0.282 nan 8.250 nan 0.000 0.466 40 N N 1.398 120.072 118.700 -0.044 0.000 2.331 40 N HA -0.093 4.646 4.740 -0.001 0.000 0.180 40 N C 0.409 175.909 175.510 -0.018 0.000 1.019 40 N CA 1.143 54.175 53.050 -0.030 0.000 0.881 40 N CB -0.052 38.420 38.487 -0.026 0.000 0.972 40 N HN 0.407 nan 8.380 nan 0.000 0.435 41 D N -1.390 119.005 120.400 -0.009 0.000 2.668 41 D HA 0.226 4.866 4.640 -0.001 0.000 0.249 41 D C 0.352 176.651 176.300 -0.003 0.000 1.150 41 D CA -0.551 53.452 54.000 0.005 0.000 1.090 41 D CB 0.425 41.244 40.800 0.032 0.000 1.244 41 D HN -0.216 nan 8.370 nan 0.000 0.636 42 R N -0.808 119.694 120.500 0.003 0.000 2.391 42 R HA 0.168 4.507 4.340 -0.001 0.000 0.249 42 R C 1.023 177.319 176.300 -0.006 0.000 0.957 42 R CA 0.020 56.115 56.100 -0.009 0.000 1.093 42 R CB -0.333 29.957 30.300 -0.017 0.000 1.156 42 R HN 0.452 nan 8.270 nan 0.000 0.526 43 T N 1.711 116.267 114.554 0.005 0.000 2.624 43 T HA -0.205 4.145 4.350 -0.001 0.000 0.268 43 T C 1.767 176.463 174.700 -0.008 0.000 1.041 43 T CA 1.415 63.519 62.100 0.007 0.000 1.159 43 T CB -0.091 68.786 68.868 0.016 0.000 0.863 43 T HN 0.245 nan 8.240 nan 0.000 0.434 44 L N 0.303 121.512 121.223 -0.023 0.000 2.141 44 L HA -0.065 4.275 4.340 -0.001 0.000 0.209 44 L C 2.678 179.552 176.870 0.007 0.000 1.094 44 L CA 1.214 56.041 54.840 -0.022 0.000 0.763 44 L CB -0.573 41.453 42.059 -0.056 0.000 0.908 44 L HN 0.228 nan 8.230 nan 0.000 0.437 45 E N 0.036 120.237 120.200 0.002 0.000 2.106 45 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 45 E C 2.271 178.860 176.600 -0.019 0.000 0.984 45 E CA 0.933 57.342 56.400 0.015 0.000 0.806 45 E CB -0.076 29.623 29.700 -0.002 0.000 0.750 45 E HN 0.467 nan 8.360 nan 0.000 0.458 46 Q N -0.021 119.757 119.800 -0.037 0.000 2.079 46 Q HA -0.064 4.276 4.340 -0.001 0.000 0.200 46 Q C 2.285 178.230 176.000 -0.091 0.000 0.974 46 Q CA 1.230 56.989 55.803 -0.073 0.000 0.840 46 Q CB -0.196 28.514 28.738 -0.047 0.000 0.898 46 Q HN 0.295 nan 8.270 nan 0.000 0.430 47 A N 0.741 123.536 122.820 -0.041 0.000 1.940 47 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 47 A C 2.248 179.814 177.584 -0.030 0.000 1.176 47 A CA 1.902 53.922 52.037 -0.029 0.000 0.631 47 A CB -0.894 18.113 19.000 0.012 0.000 0.814 47 A HN 0.312 nan 8.150 nan 0.000 0.446 48 T N 0.719 115.275 114.554 0.003 0.000 2.746 48 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 48 T C 1.819 176.478 174.700 -0.069 0.000 1.039 48 T CA 1.514 63.624 62.100 0.017 0.000 1.142 48 T CB -0.396 68.537 68.868 0.110 0.000 0.866 48 T HN 0.511 nan 8.240 nan 0.000 0.444 49 N N 0.924 119.562 118.700 -0.103 0.000 2.142 49 N HA -0.039 4.700 4.740 -0.001 0.000 0.186 49 N C 1.962 177.359 175.510 -0.188 0.000 1.023 49 N CA 0.634 53.594 53.050 -0.150 0.000 0.852 49 N CB -0.754 37.627 38.487 -0.175 0.000 0.998 49 N HN 0.197 nan 8.380 nan 0.000 0.424 50 V N 1.639 121.397 119.914 -0.260 0.000 2.392 50 V HA -0.180 3.939 4.120 -0.001 0.000 0.249 50 V C 2.223 178.249 176.094 -0.113 0.000 1.059 50 V CA 1.695 63.790 62.300 -0.342 0.000 1.051 50 V CB -0.959 30.584 31.823 -0.467 0.000 0.658 50 V HN 0.301 nan 8.190 nan 0.000 0.455 51 A N -0.921 121.855 122.820 -0.074 0.000 2.216 51 A HA -0.105 4.215 4.320 -0.001 0.000 0.214 51 A C 2.071 179.639 177.584 -0.028 0.000 1.160 51 A CA 1.451 53.474 52.037 -0.024 0.000 0.725 51 A CB -0.510 18.487 19.000 -0.005 0.000 0.784 51 A HN 0.569 nan 8.150 nan 0.000 0.472 52 M N -0.648 118.921 119.600 -0.051 0.000 2.509 52 M HA 0.214 4.694 4.480 -0.001 0.000 0.250 52 M C -0.214 176.076 176.300 -0.016 0.000 1.132 52 M CA 0.208 55.480 55.300 -0.048 0.000 1.080 52 M CB -0.017 32.538 32.600 -0.075 0.000 1.408 52 M HN 0.194 nan 8.290 nan 0.000 0.484 53 L N 1.932 123.166 121.223 0.018 0.000 2.380 53 L HA 0.226 4.566 4.340 -0.001 0.000 0.273 53 L C -2.123 174.789 176.870 0.070 0.000 1.138 53 L CA -2.027 52.830 54.840 0.028 0.000 0.832 53 L CB -0.159 41.899 42.059 -0.002 0.000 1.124 53 L HN -0.210 nan 8.230 nan 0.000 0.454 54 P HA 0.035 nan 4.420 nan 0.000 0.266 54 P C 0.786 178.116 177.300 0.051 0.000 1.195 54 P CA 0.569 63.671 63.100 0.003 0.000 0.768 54 P CB 0.740 32.425 31.700 -0.025 0.000 0.838 55 G N 2.327 111.123 108.800 -0.007 0.000 2.179 55 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 55 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 55 G C 0.275 175.082 174.900 -0.155 0.000 0.977 55 G CA -0.133 44.926 45.100 -0.067 0.000 0.641 55 G HN 0.624 nan 8.290 nan 0.000 0.533 56 I N 0.690 121.251 120.570 -0.014 0.000 2.692 56 I HA 0.473 4.642 4.170 -0.001 0.000 0.284 56 I C 0.320 176.216 176.117 -0.369 0.000 1.159 56 I CA -0.576 60.572 61.300 -0.253 0.000 1.423 56 I CB 0.328 38.224 38.000 -0.173 0.000 1.380 56 I HN 0.150 nan 8.210 nan 0.000 0.580 57 Y N 7.213 127.395 120.300 -0.196 0.000 2.446 57 Y HA 0.341 4.890 4.550 -0.001 0.000 0.338 57 Y C 0.866 176.736 175.900 -0.051 0.000 1.055 57 Y CA -0.536 57.523 58.100 -0.068 0.000 1.101 57 Y CB 1.535 40.003 38.460 0.014 0.000 1.221 57 Y HN 0.631 nan 8.280 nan 0.000 0.460 58 K N 0.388 120.809 120.400 0.036 0.000 10.660 58 K HA -0.326 3.994 4.320 -0.001 0.000 0.523 58 K C -0.998 175.390 176.600 -0.353 0.000 0.379 58 K CA 2.397 58.464 56.287 -0.367 0.000 1.947 58 K CB -1.340 30.629 32.500 -0.886 0.000 0.758 58 K HN 0.813 nan 8.250 nan 0.000 1.189 59 Y N -1.946 118.442 120.300 0.147 0.000 2.841 59 Y HA 0.344 4.893 4.550 -0.001 0.000 0.373 59 Y C -0.682 175.266 175.900 0.080 0.000 1.170 59 Y CA -1.087 57.065 58.100 0.086 0.000 1.196 59 Y CB 0.335 38.842 38.460 0.078 0.000 1.433 59 Y HN 0.134 nan 8.280 nan 0.000 0.479 60 S N 1.376 117.237 115.700 0.267 0.000 2.584 60 S HA 0.809 5.279 4.470 -0.001 0.000 0.273 60 S C -0.544 174.187 174.600 0.217 0.000 1.311 60 S CA -0.480 57.820 58.200 0.167 0.000 1.034 60 S CB 0.770 64.007 63.200 0.062 0.000 0.939 60 S HN 0.588 nan 8.310 nan 0.000 0.513 61 I N 1.788 122.490 120.570 0.220 0.000 2.509 61 I HA 0.451 4.621 4.170 -0.001 0.000 0.293 61 I C -1.005 175.218 176.117 0.177 0.000 1.020 61 I CA -1.031 60.397 61.300 0.214 0.000 1.088 61 I CB 2.133 40.320 38.000 0.312 0.000 1.267 61 I HN 0.397 nan 8.210 nan 0.000 0.430 62 V N 6.158 126.165 119.914 0.155 0.000 2.448 62 V HA 0.439 4.559 4.120 -0.001 0.000 0.295 62 V C 0.263 176.475 176.094 0.197 0.000 1.025 62 V CA -0.690 61.692 62.300 0.137 0.000 0.859 62 V CB 1.711 33.577 31.823 0.071 0.000 0.988 62 V HN 0.602 nan 8.190 nan 0.000 0.431 63 M N 5.158 124.860 119.600 0.171 0.000 2.197 63 M HA 0.354 4.834 4.480 -0.001 0.000 0.305 63 M C -1.384 175.006 176.300 0.150 0.000 1.162 63 M CA -2.303 53.097 55.300 0.167 0.000 1.099 63 M CB 0.484 33.151 32.600 0.113 0.000 1.430 63 M HN 0.251 nan 8.290 nan 0.000 0.481 64 P HA -0.160 nan 4.420 nan 0.000 0.216 64 P C 0.167 177.528 177.300 0.102 0.000 1.150 64 P CA 1.386 64.553 63.100 0.111 0.000 0.843 64 P CB -0.099 31.655 31.700 0.091 0.000 0.787 65 D N -1.296 119.178 120.400 0.125 0.000 2.325 65 D HA 0.110 4.749 4.640 -0.001 0.000 0.234 65 D C 0.964 177.416 176.300 0.254 0.000 1.122 65 D CA -0.334 53.766 54.000 0.168 0.000 0.850 65 D CB -1.127 39.777 40.800 0.174 0.000 0.921 65 D HN -0.027 nan 8.370 nan 0.000 0.513 66 G N 0.165 109.070 108.800 0.176 0.000 2.414 66 G HA2 0.389 4.349 3.960 -0.001 0.000 0.236 66 G HA3 0.389 4.349 3.960 -0.001 0.000 0.236 66 G C -0.273 174.750 174.900 0.206 0.000 1.293 66 G CA -0.051 45.135 45.100 0.143 0.000 0.869 66 G HN 0.650 nan 8.290 nan 0.000 0.556 67 H N -2.016 117.100 119.070 0.077 0.000 2.981 67 H HA 0.493 5.049 4.556 -0.001 0.000 0.327 67 H C -0.350 175.022 175.328 0.074 0.000 1.342 67 H CA -1.080 55.004 56.048 0.059 0.000 1.123 67 H CB 0.773 30.569 29.762 0.056 0.000 1.851 67 H HN 0.500 nan 8.280 nan 0.000 0.531 68 Q N 0.553 120.445 119.800 0.153 0.000 2.286 68 Q HA 0.373 4.713 4.340 -0.001 0.000 0.290 68 Q C -0.201 175.851 176.000 0.087 0.000 1.049 68 Q CA 0.863 56.720 55.803 0.091 0.000 0.923 68 Q CB 0.343 29.139 28.738 0.096 0.000 1.183 68 Q HN 0.807 nan 8.270 nan 0.000 0.383 69 G N 2.132 110.977 108.800 0.076 0.000 3.222 69 G HA2 0.211 4.171 3.960 -0.001 0.000 0.263 69 G HA3 0.211 4.171 3.960 -0.001 0.000 0.263 69 G C -2.043 172.970 174.900 0.189 0.000 1.312 69 G CA -0.675 44.509 45.100 0.139 0.000 0.934 69 G HN 0.660 nan 8.290 nan 0.000 0.577 70 Y N 1.118 121.515 120.300 0.161 0.000 2.477 70 Y HA 0.434 4.984 4.550 -0.001 0.000 0.349 70 Y C 1.221 177.220 175.900 0.166 0.000 0.977 70 Y CA 1.069 59.273 58.100 0.175 0.000 1.214 70 Y CB 0.451 39.077 38.460 0.276 0.000 1.124 70 Y HN 1.235 nan 8.280 nan 0.000 0.521 71 G N 4.739 113.446 108.800 -0.154 0.000 5.452 71 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.310 71 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.310 71 G C -0.089 174.877 174.900 0.110 0.000 1.392 71 G CA 0.368 45.456 45.100 -0.020 0.000 0.942 71 G HN 0.501 nan 8.290 nan 0.000 0.776 72 F N 4.932 124.895 119.950 0.021 0.000 2.371 72 F HA 0.570 5.097 4.527 -0.001 0.000 0.329 72 F C -1.279 174.538 175.800 0.027 0.000 1.107 72 F CA -1.790 56.232 58.000 0.035 0.000 1.137 72 F CB 1.234 40.276 39.000 0.069 0.000 1.214 72 F HN 0.114 nan 8.300 nan 0.000 0.536 73 P HA 0.198 nan 4.420 nan 0.000 0.274 73 P C -0.427 176.909 177.300 0.061 0.000 1.231 73 P CA -0.029 63.122 63.100 0.085 0.000 0.790 73 P CB 1.045 32.777 31.700 0.053 0.000 0.951 74 I N 0.739 121.246 120.570 -0.105 0.000 2.474 74 I HA 0.327 4.497 4.170 -0.001 0.000 0.287 74 I C 1.279 177.322 176.117 -0.123 0.000 1.048 74 I CA 0.576 61.781 61.300 -0.159 0.000 1.383 74 I CB 0.091 37.842 38.000 -0.415 0.000 1.412 74 I HN 0.702 nan 8.210 nan 0.000 0.531 75 G N 3.911 112.731 108.800 0.034 0.000 2.325 75 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.248 75 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.248 75 G C -0.106 174.859 174.900 0.108 0.000 1.108 75 G CA -0.230 44.931 45.100 0.103 0.000 0.881 75 G HN 1.141 nan 8.290 nan 0.000 0.494 76 G N -1.974 106.899 108.800 0.122 0.000 2.694 76 G HA2 0.892 4.851 3.960 -0.001 0.000 0.290 76 G HA3 0.892 4.851 3.960 -0.001 0.000 0.290 76 G C -1.231 173.774 174.900 0.176 0.000 1.386 76 G CA -0.168 45.028 45.100 0.160 0.000 0.872 76 G HN 1.162 nan 8.290 nan 0.000 0.475 77 V N -0.511 119.524 119.914 0.203 0.000 2.888 77 V HA 0.868 4.988 4.120 -0.001 0.000 0.309 77 V C -0.298 175.904 176.094 0.181 0.000 1.114 77 V CA -0.370 62.045 62.300 0.191 0.000 0.940 77 V CB 1.654 33.592 31.823 0.191 0.000 1.021 77 V HN 1.664 nan 8.190 nan 0.000 0.426 78 A N 2.879 125.753 122.820 0.090 0.000 2.488 78 A HA 0.964 5.283 4.320 -0.001 0.000 0.295 78 A C -0.769 176.521 177.584 -0.490 0.000 1.045 78 A CA -0.044 51.882 52.037 -0.186 0.000 0.703 78 A CB 1.809 20.787 19.000 -0.037 0.000 1.271 78 A HN 1.734 nan 8.150 nan 0.000 0.400 79 A N 1.672 123.962 122.820 -0.884 0.000 2.318 79 A HA 0.867 5.186 4.320 -0.001 0.000 0.317 79 A C -1.154 175.946 177.584 -0.806 0.000 1.159 79 A CA -0.344 51.192 52.037 -0.834 0.000 0.799 79 A CB 0.302 18.457 19.000 -1.408 0.000 1.194 79 A HN 0.823 nan 8.150 nan 0.000 0.479 80 F N 0.505 120.388 119.950 -0.112 0.000 2.532 80 F HA 0.373 4.900 4.527 -0.001 0.000 0.321 80 F C 0.360 176.151 175.800 -0.016 0.000 1.089 80 F CA -0.715 57.235 58.000 -0.084 0.000 0.926 80 F CB 1.650 40.593 39.000 -0.096 0.000 1.168 80 F HN 0.702 nan 8.300 nan 0.000 0.459 81 D N 1.088 121.612 120.400 0.206 0.000 2.525 81 D HA 0.081 4.721 4.640 -0.001 0.000 0.235 81 D C 1.214 177.599 176.300 0.142 0.000 1.137 81 D CA 0.104 54.265 54.000 0.268 0.000 0.868 81 D CB 1.241 42.153 40.800 0.187 0.000 1.180 81 D HN 0.432 nan 8.370 nan 0.000 0.465 82 V N 1.978 121.958 119.914 0.111 0.000 2.626 82 V HA -0.143 3.976 4.120 -0.001 0.000 0.252 82 V C 1.896 178.144 176.094 0.256 0.000 1.067 82 V CA 1.604 63.989 62.300 0.141 0.000 1.081 82 V CB -0.584 31.347 31.823 0.179 0.000 0.686 82 V HN 0.620 nan 8.190 nan 0.000 0.468 83 K N -0.373 120.127 120.400 0.166 0.000 2.202 83 K HA 0.041 4.361 4.320 -0.001 0.000 0.201 83 K C 1.823 178.475 176.600 0.086 0.000 1.051 83 K CA 0.906 57.267 56.287 0.123 0.000 0.977 83 K CB 0.204 32.763 32.500 0.098 0.000 0.792 83 K HN 0.472 nan 8.250 nan 0.000 0.469 84 E N 0.104 120.350 120.200 0.076 0.000 2.498 84 E HA 0.132 4.482 4.350 -0.001 0.000 0.203 84 E C 0.499 177.113 176.600 0.023 0.000 1.013 84 E CA -0.019 56.403 56.400 0.036 0.000 0.927 84 E CB 1.319 31.029 29.700 0.017 0.000 1.012 84 E HN 0.323 nan 8.360 nan 0.000 0.482 85 G N 0.914 109.748 108.800 0.057 0.000 2.753 85 G HA2 0.530 4.489 3.960 -0.001 0.000 0.285 85 G HA3 0.530 4.489 3.960 -0.001 0.000 0.285 85 G C -0.050 174.831 174.900 -0.030 0.000 1.344 85 G CA -0.279 44.847 45.100 0.044 0.000 1.050 85 G HN 0.021 nan 8.290 nan 0.000 0.532 86 V N -2.315 117.464 119.914 -0.225 0.000 3.166 86 V HA 0.839 4.959 4.120 -0.001 0.000 0.317 86 V C -0.460 175.484 176.094 -0.249 0.000 1.136 86 V CA -1.201 60.941 62.300 -0.264 0.000 1.035 86 V CB 1.788 33.391 31.823 -0.367 0.000 1.110 86 V HN 0.796 nan 8.190 nan 0.000 0.450 87 I N 1.444 121.987 120.570 -0.046 0.000 2.533 87 I HA 0.735 4.904 4.170 -0.001 0.000 0.290 87 I C -0.692 175.489 176.117 0.107 0.000 1.056 87 I CA -0.137 61.280 61.300 0.194 0.000 1.057 87 I CB 2.037 40.230 38.000 0.322 0.000 1.240 87 I HN 0.969 nan 8.210 nan 0.000 0.423 88 S N 7.236 123.061 115.700 0.209 0.000 2.594 88 S HA 0.567 5.037 4.470 -0.001 0.000 0.296 88 S C -2.315 172.201 174.600 -0.140 0.000 1.124 88 S CA -1.411 56.780 58.200 -0.015 0.000 1.011 88 S CB 1.931 65.170 63.200 0.065 0.000 1.016 88 S HN 0.468 nan 8.310 nan 0.000 0.485 89 P HA 0.034 nan 4.420 nan 0.000 0.218 89 P C 1.490 178.617 177.300 -0.288 0.000 1.148 89 P CA 1.130 63.923 63.100 -0.511 0.000 0.822 89 P CB -0.039 31.241 31.700 -0.701 0.000 0.784 90 G N -0.610 108.083 108.800 -0.179 0.000 2.509 90 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.218 90 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.218 90 G C 1.532 176.279 174.900 -0.255 0.000 1.124 90 G CA 0.717 45.791 45.100 -0.043 0.000 0.776 90 G HN 0.390 nan 8.290 nan 0.000 0.547 91 G N -0.038 108.315 108.800 -0.745 0.000 2.880 91 G HA2 0.203 4.163 3.960 -0.001 0.000 0.209 91 G HA3 0.203 4.163 3.960 -0.001 0.000 0.209 91 G C 1.368 176.029 174.900 -0.398 0.000 1.157 91 G CA 0.078 44.305 45.100 -1.454 0.000 0.779 91 G HN 0.444 nan 8.290 nan 0.000 0.539 92 I N -0.570 119.883 120.570 -0.196 0.000 3.883 92 I HA 0.353 4.523 4.170 -0.001 0.000 0.305 92 I C 1.241 177.320 176.117 -0.063 0.000 1.247 92 I CA 0.839 62.091 61.300 -0.080 0.000 1.350 92 I CB 0.645 38.642 38.000 -0.005 0.000 1.194 92 I HN 0.245 nan 8.210 nan 0.000 0.441 93 G N -0.309 108.425 108.800 -0.110 0.000 2.629 93 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.686 93 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.686 93 G C -0.338 174.477 174.900 -0.141 0.000 1.232 93 G CA -0.557 44.495 45.100 -0.080 0.000 0.803 93 G HN 0.029 nan 8.290 nan 0.000 0.638 94 Y N 0.271 120.526 120.300 -0.074 0.000 2.133 94 Y HA 0.065 4.615 4.550 -0.000 0.000 0.287 94 Y C 2.109 177.973 175.900 -0.059 0.000 1.134 94 Y CA 1.669 59.660 58.100 -0.181 0.000 1.133 94 Y CB 0.266 38.517 38.460 -0.349 0.000 0.987 94 Y HN 0.518 nan 8.280 nan 0.000 0.502 95 D N 1.178 121.695 120.400 0.194 0.000 2.551 95 D HA 0.097 4.737 4.640 -0.001 0.000 0.223 95 D C -0.465 175.862 176.300 0.044 0.000 1.144 95 D CA -0.025 54.061 54.000 0.142 0.000 1.025 95 D CB -0.793 40.111 40.800 0.174 0.000 1.085 95 D HN 0.131 nan 8.370 nan 0.000 0.506 96 I N 2.783 123.356 120.570 0.006 0.000 2.741 96 I HA -0.161 4.009 4.170 -0.001 0.000 0.288 96 I C 1.285 177.320 176.117 -0.137 0.000 1.192 96 I CA 0.150 61.412 61.300 -0.063 0.000 1.426 96 I CB 0.062 38.018 38.000 -0.074 0.000 1.367 96 I HN 0.372 nan 8.210 nan 0.000 0.563 97 N N 3.824 122.407 118.700 -0.196 0.000 2.754 97 N HA -0.209 4.531 4.740 -0.001 0.000 0.248 97 N C -0.350 175.001 175.510 -0.266 0.000 1.093 97 N CA 0.418 53.270 53.050 -0.329 0.000 0.699 97 N CB -1.213 36.900 38.487 -0.623 0.000 1.016 97 N HN 0.740 nan 8.380 nan 0.000 0.552 98 C N 0.025 119.245 119.300 -0.134 0.000 2.648 98 C HA 0.697 5.156 4.460 -0.001 0.000 0.419 98 C C 1.274 176.193 174.990 -0.118 0.000 1.352 98 C CA 0.724 59.690 59.018 -0.087 0.000 1.816 98 C CB -0.529 27.243 27.740 0.054 0.000 2.598 98 C HN 0.645 nan 8.230 nan 0.000 0.598 99 G N 3.894 112.608 108.800 -0.143 0.000 2.682 99 G HA2 0.680 4.640 3.960 -0.001 0.000 0.303 99 G HA3 0.680 4.640 3.960 -0.001 0.000 0.303 99 G C -1.806 172.995 174.900 -0.166 0.000 1.341 99 G CA -0.315 44.669 45.100 -0.194 0.000 0.784 99 G HN 0.900 nan 8.290 nan 0.000 0.497 100 V N -0.063 119.733 119.914 -0.197 0.000 2.760 100 V HA 0.752 4.872 4.120 -0.001 0.000 0.309 100 V C -0.286 175.779 176.094 -0.048 0.000 1.077 100 V CA -0.831 61.377 62.300 -0.152 0.000 0.910 100 V CB 1.889 33.563 31.823 -0.249 0.000 1.008 100 V HN 0.888 nan 8.190 nan 0.000 0.424 101 R N 3.047 123.526 120.500 -0.035 0.000 2.621 101 R HA 0.778 5.117 4.340 -0.001 0.000 0.292 101 R C -2.053 174.252 176.300 0.007 0.000 0.969 101 R CA -0.736 55.355 56.100 -0.015 0.000 0.887 101 R CB 1.914 32.196 30.300 -0.029 0.000 1.180 101 R HN 0.605 nan 8.270 nan 0.000 0.450 102 L N 5.894 127.129 121.223 0.020 0.000 2.333 102 L HA 0.552 4.891 4.340 -0.001 0.000 0.280 102 L C -1.342 175.533 176.870 0.009 0.000 1.004 102 L CA -0.352 54.504 54.840 0.027 0.000 0.820 102 L CB 1.588 43.668 42.059 0.036 0.000 1.247 102 L HN 0.630 nan 8.230 nan 0.000 0.416 103 I N 4.865 125.429 120.570 -0.011 0.000 2.378 103 I HA 0.484 4.653 4.170 -0.001 0.000 0.291 103 I C -0.177 175.909 176.117 -0.051 0.000 0.992 103 I CA -0.827 60.446 61.300 -0.045 0.000 1.154 103 I CB 1.496 39.437 38.000 -0.098 0.000 1.315 103 I HN 0.645 nan 8.210 nan 0.000 0.448 104 R N 3.644 124.130 120.500 -0.024 0.000 2.549 104 R HA 0.842 5.181 4.340 -0.001 0.000 0.259 104 R C -0.158 176.108 176.300 -0.058 0.000 1.095 104 R CA -0.605 55.480 56.100 -0.025 0.000 1.148 104 R CB 0.760 31.082 30.300 0.036 0.000 1.181 104 R HN 0.654 nan 8.270 nan 0.000 0.571 105 T N -2.764 111.761 114.554 -0.048 0.000 2.816 105 T HA 0.349 4.699 4.350 -0.001 0.000 0.299 105 T C -0.354 174.380 174.700 0.057 0.000 1.230 105 T CA -1.107 60.963 62.100 -0.049 0.000 1.007 105 T CB 1.467 70.249 68.868 -0.144 0.000 1.289 105 T HN 0.482 nan 8.240 nan 0.000 0.508 106 N N 0.406 119.146 118.700 0.066 0.000 2.276 106 N HA 0.298 5.038 4.740 -0.001 0.000 0.212 106 N C -0.288 175.298 175.510 0.126 0.000 1.127 106 N CA -0.037 53.096 53.050 0.138 0.000 0.834 106 N CB -0.271 38.262 38.487 0.077 0.000 1.014 106 N HN 0.531 nan 8.380 nan 0.000 0.491 107 L N 0.299 121.559 121.223 0.062 0.000 2.360 107 L HA 0.386 4.725 4.340 -0.001 0.000 0.271 107 L C 0.910 177.828 176.870 0.079 0.000 1.057 107 L CA -0.571 54.279 54.840 0.015 0.000 0.803 107 L CB 1.407 43.394 42.059 -0.121 0.000 1.207 107 L HN 0.012 nan 8.230 nan 0.000 0.445 108 T N -3.226 111.380 114.554 0.086 0.000 2.948 108 T HA 0.215 4.565 4.350 -0.001 0.000 0.285 108 T C 0.720 175.454 174.700 0.056 0.000 1.019 108 T CA -0.729 61.430 62.100 0.098 0.000 1.013 108 T CB 1.793 70.749 68.868 0.147 0.000 1.117 108 T HN 0.713 nan 8.240 nan 0.000 0.533 109 E N 0.526 120.752 120.200 0.044 0.000 2.085 109 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 109 E C 2.015 178.648 176.600 0.055 0.000 0.994 109 E CA 1.403 57.829 56.400 0.043 0.000 0.801 109 E CB -0.117 29.599 29.700 0.026 0.000 0.743 109 E HN 0.731 nan 8.360 nan 0.000 0.453 110 K N 0.456 120.888 120.400 0.054 0.000 2.074 110 K HA -0.248 4.072 4.320 -0.001 0.000 0.209 110 K C 1.855 178.495 176.600 0.067 0.000 1.048 110 K CA 2.057 58.376 56.287 0.053 0.000 0.926 110 K CB -0.020 32.510 32.500 0.050 0.000 0.713 110 K HN 0.194 nan 8.250 nan 0.000 0.444 111 E N -0.352 119.893 120.200 0.075 0.000 2.158 111 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 111 E C 1.882 178.590 176.600 0.181 0.000 0.982 111 E CA 1.048 57.507 56.400 0.099 0.000 0.823 111 E CB 0.300 30.030 29.700 0.049 0.000 0.766 111 E HN 0.114 nan 8.360 nan 0.000 0.468 112 V N 0.641 120.651 119.914 0.161 0.000 2.725 112 V HA -0.094 4.025 4.120 -0.001 0.000 0.247 112 V C 2.225 178.415 176.094 0.161 0.000 1.058 112 V CA 0.999 63.456 62.300 0.262 0.000 1.080 112 V CB -0.289 31.660 31.823 0.211 0.000 0.713 112 V HN 0.103 nan 8.190 nan 0.000 0.465 113 R N 0.960 121.517 120.500 0.095 0.000 2.113 113 R HA -0.205 4.135 4.340 -0.001 0.000 0.244 113 R C -0.236 176.074 176.300 0.017 0.000 1.142 113 R CA 2.419 58.547 56.100 0.047 0.000 0.953 113 R CB -1.364 28.958 30.300 0.035 0.000 0.860 113 R HN 0.422 nan 8.270 nan 0.000 0.438 114 P HA -0.080 nan 4.420 nan 0.000 0.222 114 P C 0.263 177.533 177.300 -0.051 0.000 1.147 114 P CA 1.230 64.325 63.100 -0.009 0.000 0.790 114 P CB 0.186 31.893 31.700 0.011 0.000 0.780 115 R N -1.961 118.511 120.500 -0.046 0.000 2.432 115 R HA 0.219 4.558 4.340 -0.001 0.000 0.260 115 R C 1.592 177.800 176.300 -0.153 0.000 0.935 115 R CA -0.250 55.763 56.100 -0.145 0.000 1.080 115 R CB -1.118 29.017 30.300 -0.274 0.000 1.155 115 R HN 0.046 nan 8.270 nan 0.000 0.531 116 I N 1.205 121.716 120.570 -0.097 0.000 2.194 116 I HA -0.338 3.832 4.170 -0.001 0.000 0.246 116 I C 1.381 177.384 176.117 -0.189 0.000 1.093 116 I CA 1.830 63.079 61.300 -0.086 0.000 1.355 116 I CB 0.109 38.089 38.000 -0.033 0.000 1.046 116 I HN 0.065 nan 8.210 nan 0.000 0.413 117 K N -0.412 119.754 120.400 -0.390 0.000 2.057 117 K HA -0.242 4.078 4.320 -0.001 0.000 0.207 117 K C 2.124 178.543 176.600 -0.301 0.000 1.049 117 K CA 1.725 57.596 56.287 -0.693 0.000 0.931 117 K CB -0.387 31.638 32.500 -0.792 0.000 0.714 117 K HN 0.537 nan 8.250 nan 0.000 0.440 118 Q N 1.100 120.762 119.800 -0.230 0.000 2.119 118 Q HA -0.172 4.168 4.340 -0.001 0.000 0.201 118 Q C 2.193 178.107 176.000 -0.144 0.000 0.972 118 Q CA 0.998 56.701 55.803 -0.167 0.000 0.847 118 Q CB 0.013 28.635 28.738 -0.193 0.000 0.903 118 Q HN 0.176 nan 8.270 nan 0.000 0.433 119 L N 0.156 121.269 121.223 -0.182 0.000 2.005 119 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 119 L C 2.212 179.060 176.870 -0.037 0.000 1.072 119 L CA 1.485 56.212 54.840 -0.188 0.000 0.744 119 L CB -0.672 41.243 42.059 -0.241 0.000 0.895 119 L HN 0.087 nan 8.230 nan 0.000 0.433 120 V N -0.006 119.944 119.914 0.060 0.000 2.343 120 V HA -0.279 3.841 4.120 -0.001 0.000 0.247 120 V C 2.265 178.477 176.094 0.198 0.000 1.051 120 V CA 1.909 64.318 62.300 0.181 0.000 1.036 120 V CB -0.890 31.134 31.823 0.334 0.000 0.654 120 V HN 0.447 nan 8.190 nan 0.000 0.451 121 D N -0.046 120.456 120.400 0.172 0.000 2.144 121 D HA -0.129 4.510 4.640 -0.001 0.000 0.199 121 D C 2.289 178.675 176.300 0.144 0.000 0.984 121 D CA 1.808 55.899 54.000 0.152 0.000 0.834 121 D CB -0.381 40.471 40.800 0.086 0.000 0.955 121 D HN 0.407 nan 8.370 nan 0.000 0.465 122 T N 0.918 115.516 114.554 0.073 0.000 2.777 122 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 122 T C 2.247 177.003 174.700 0.093 0.000 1.040 122 T CA 0.467 62.597 62.100 0.051 0.000 1.141 122 T CB -0.195 68.665 68.868 -0.013 0.000 0.868 122 T HN 0.099 nan 8.240 nan 0.000 0.444 123 L N -0.163 121.137 121.223 0.128 0.000 2.017 123 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 123 L C 2.253 179.229 176.870 0.177 0.000 1.073 123 L CA 1.328 56.269 54.840 0.169 0.000 0.745 123 L CB -0.544 41.637 42.059 0.203 0.000 0.894 123 L HN 0.183 nan 8.230 nan 0.000 0.432 124 F N 1.016 121.004 119.950 0.064 0.000 2.161 124 F HA -0.284 4.243 4.527 -0.001 0.000 0.300 124 F C 2.634 178.445 175.800 0.019 0.000 1.089 124 F CA 1.876 59.905 58.000 0.048 0.000 1.282 124 F CB -0.124 38.901 39.000 0.041 0.000 1.010 124 F HN -0.060 nan 8.300 nan 0.000 0.485 125 K N -0.166 120.321 120.400 0.145 0.000 2.155 125 K HA -0.137 4.182 4.320 -0.001 0.000 0.203 125 K C 1.475 178.018 176.600 -0.095 0.000 1.052 125 K CA 1.460 57.763 56.287 0.026 0.000 0.948 125 K CB -0.189 32.352 32.500 0.068 0.000 0.728 125 K HN 0.221 nan 8.250 nan 0.000 0.448 126 N N 0.349 119.002 118.700 -0.079 0.000 2.446 126 N HA 0.001 4.741 4.740 -0.001 0.000 0.179 126 N C -0.509 174.831 175.510 -0.283 0.000 1.054 126 N CA 0.419 53.359 53.050 -0.184 0.000 0.905 126 N CB 0.727 39.174 38.487 -0.066 0.000 0.973 126 N HN -0.055 nan 8.380 nan 0.000 0.448 127 V N 2.841 122.670 119.914 -0.142 0.000 2.349 127 V HA 0.321 4.441 4.120 -0.001 0.000 0.284 127 V C -2.327 173.659 176.094 -0.181 0.000 1.014 127 V CA -1.898 60.363 62.300 -0.065 0.000 0.826 127 V CB 1.697 33.597 31.823 0.128 0.000 1.009 127 V HN -0.130 nan 8.190 nan 0.000 0.431 128 P HA 0.190 nan 4.420 nan 0.000 0.265 128 P C -0.203 176.998 177.300 -0.165 0.000 1.187 128 P CA 0.504 63.486 63.100 -0.197 0.000 0.766 128 P CB 0.578 32.207 31.700 -0.117 0.000 0.820 129 S N 0.998 116.568 115.700 -0.217 0.000 2.607 129 S HA 0.861 5.331 4.470 -0.001 0.000 0.273 129 S C -0.364 174.204 174.600 -0.054 0.000 1.148 129 S CA -0.128 58.002 58.200 -0.116 0.000 0.833 129 S CB 1.562 64.695 63.200 -0.112 0.000 1.130 129 S HN 0.897 nan 8.310 nan 0.000 0.470 130 G N -0.189 108.621 108.800 0.016 0.000 2.629 130 G HA2 0.124 4.083 3.960 -0.001 0.000 0.686 130 G HA3 0.124 4.083 3.960 -0.001 0.000 0.686 130 G C -0.851 174.064 174.900 0.025 0.000 1.232 130 G CA -0.583 44.540 45.100 0.037 0.000 0.803 130 G HN 1.625 nan 8.290 nan 0.000 0.638 131 V N 1.781 121.710 119.914 0.026 0.000 2.540 131 V HA 0.411 4.531 4.120 -0.001 0.000 0.297 131 V C 1.990 178.088 176.094 0.007 0.000 1.024 131 V CA 2.030 64.338 62.300 0.014 0.000 1.105 131 V CB 0.418 32.245 31.823 0.007 0.000 0.938 131 V HN 2.818 nan 8.190 nan 0.000 0.482 132 G N 4.052 112.854 108.800 0.002 0.000 2.184 132 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.264 132 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.264 132 G C 0.392 175.292 174.900 0.001 0.000 0.975 132 G CA 0.225 45.325 45.100 0.000 0.000 0.642 132 G HN 0.732 nan 8.290 nan 0.000 0.536 133 S N 1.259 116.958 115.700 -0.002 0.000 2.481 133 S HA 0.478 4.948 4.470 -0.001 0.000 0.276 133 S C 0.530 175.125 174.600 -0.008 0.000 1.247 133 S CA -0.178 58.013 58.200 -0.014 0.000 1.053 133 S CB 1.122 64.300 63.200 -0.037 0.000 0.925 133 S HN 0.562 nan 8.310 nan 0.000 0.491 134 Q N 1.197 120.995 119.800 -0.003 0.000 2.199 134 Q HA 0.524 4.864 4.340 -0.001 0.000 0.232 134 Q C 0.872 176.880 176.000 0.012 0.000 0.969 134 Q CA -0.787 55.024 55.803 0.014 0.000 0.925 134 Q CB 0.608 29.361 28.738 0.025 0.000 1.198 134 Q HN 0.736 nan 8.270 nan 0.000 0.494 135 G N 0.035 108.861 108.800 0.042 0.000 2.636 135 G HA2 0.008 3.967 3.960 -0.001 0.000 0.246 135 G HA3 0.008 3.967 3.960 -0.001 0.000 0.246 135 G C 0.177 175.107 174.900 0.049 0.000 1.216 135 G CA -0.281 44.861 45.100 0.070 0.000 0.854 135 G HN 0.601 nan 8.290 nan 0.000 0.572 136 R N -0.075 120.445 120.500 0.033 0.000 2.090 136 R HA 0.091 4.431 4.340 -0.001 0.000 0.228 136 R C 1.554 177.912 176.300 0.097 0.000 1.110 136 R CA 0.191 56.289 56.100 -0.004 0.000 0.973 136 R CB -0.131 30.084 30.300 -0.141 0.000 0.869 136 R HN 0.527 nan 8.270 nan 0.000 0.440 137 I N 1.177 121.863 120.570 0.194 0.000 3.004 137 I HA -0.003 4.167 4.170 -0.001 0.000 0.287 137 I C -0.040 176.173 176.117 0.159 0.000 1.144 137 I CA -0.002 61.429 61.300 0.219 0.000 1.353 137 I CB 0.656 38.848 38.000 0.319 0.000 1.417 137 I HN -0.083 nan 8.210 nan 0.000 0.602 138 K N 7.736 128.228 120.400 0.153 0.000 2.579 138 K HA 0.413 4.733 4.320 -0.001 0.000 0.225 138 K C -1.569 175.115 176.600 0.140 0.000 0.992 138 K CA -0.382 55.982 56.287 0.129 0.000 1.018 138 K CB 0.632 33.195 32.500 0.106 0.000 1.249 138 K HN 0.547 nan 8.250 nan 0.000 0.489 139 L N 3.744 125.050 121.223 0.138 0.000 2.305 139 L HA 0.331 4.671 4.340 -0.001 0.000 0.284 139 L C 0.621 177.564 176.870 0.122 0.000 1.013 139 L CA -0.885 54.033 54.840 0.129 0.000 0.819 139 L CB 1.349 43.470 42.059 0.103 0.000 1.227 139 L HN 0.475 nan 8.230 nan 0.000 0.417 140 H N 4.344 123.426 119.070 0.019 0.000 2.707 140 H HA -0.045 4.510 4.556 -0.001 0.000 0.359 140 H C 0.670 175.987 175.328 -0.019 0.000 1.113 140 H CA -0.052 55.987 56.048 -0.015 0.000 1.422 140 H CB 1.097 30.787 29.762 -0.120 0.000 1.443 140 H HN 0.785 nan 8.280 nan 0.000 0.591 141 W N 4.079 125.056 121.300 -0.538 0.000 2.389 141 W HA -0.163 4.497 4.660 -0.001 0.000 0.267 141 W C 0.747 177.193 176.519 -0.123 0.000 1.219 141 W CA 1.284 58.452 57.345 -0.295 0.000 1.189 141 W CB -1.141 28.128 29.460 -0.319 0.000 1.129 141 W HN 0.537 nan 8.180 nan 0.000 0.581 142 T N -1.302 112.907 114.554 -0.574 0.000 3.129 142 T HA 0.081 4.431 4.350 -0.001 0.000 0.251 142 T C 1.239 175.848 174.700 -0.151 0.000 1.117 142 T CA 0.405 62.224 62.100 -0.469 0.000 1.034 142 T CB -0.213 68.310 68.868 -0.574 0.000 0.968 142 T HN 0.362 nan 8.240 nan 0.000 0.526 143 Q N 0.797 120.560 119.800 -0.062 0.000 2.155 143 Q HA 0.415 4.755 4.340 -0.001 0.000 0.220 143 Q C 1.197 177.179 176.000 -0.029 0.000 0.819 143 Q CA -0.148 55.645 55.803 -0.017 0.000 1.032 143 Q CB 0.194 28.951 28.738 0.031 0.000 1.151 143 Q HN 0.791 nan 8.270 nan 0.000 0.487 144 I N -4.059 116.485 120.570 -0.043 0.000 3.941 144 I HA 0.235 4.405 4.170 -0.001 0.000 0.335 144 I C 0.339 176.386 176.117 -0.117 0.000 1.402 144 I CA -0.120 61.119 61.300 -0.102 0.000 1.112 144 I CB 0.373 38.356 38.000 -0.029 0.000 1.043 144 I HN -0.209 nan 8.210 nan 0.000 0.395 145 D N 2.312 122.671 120.400 -0.068 0.000 2.144 145 D HA -0.174 4.465 4.640 -0.001 0.000 0.199 145 D C 1.567 177.831 176.300 -0.060 0.000 0.984 145 D CA 1.371 55.341 54.000 -0.049 0.000 0.834 145 D CB -0.054 40.735 40.800 -0.018 0.000 0.955 145 D HN 0.399 nan 8.370 nan 0.000 0.465 146 D N -0.275 120.084 120.400 -0.069 0.000 2.219 146 D HA -0.075 4.564 4.640 -0.001 0.000 0.205 146 D C 2.167 178.378 176.300 -0.148 0.000 0.970 146 D CA 0.311 54.299 54.000 -0.020 0.000 0.851 146 D CB 0.030 40.911 40.800 0.135 0.000 0.943 146 D HN 0.115 nan 8.370 nan 0.000 0.488 147 V N 1.000 120.643 119.914 -0.450 0.000 2.379 147 V HA -0.166 3.953 4.120 -0.001 0.000 0.245 147 V C 2.588 178.619 176.094 -0.105 0.000 1.044 147 V CA 0.943 62.933 62.300 -0.517 0.000 1.036 147 V CB -0.403 30.978 31.823 -0.735 0.000 0.664 147 V HN 0.189 nan 8.190 nan 0.000 0.453 148 L N -0.456 120.731 121.223 -0.060 0.000 2.201 148 L HA -0.099 4.240 4.340 -0.001 0.000 0.212 148 L C 2.311 179.180 176.870 -0.002 0.000 1.105 148 L CA 0.879 55.713 54.840 -0.010 0.000 0.775 148 L CB -0.499 41.530 42.059 -0.049 0.000 0.913 148 L HN 0.216 nan 8.230 nan 0.000 0.440 149 V N -1.081 118.832 119.914 -0.002 0.000 2.500 149 V HA -0.106 4.014 4.120 -0.001 0.000 0.243 149 V C 1.477 177.597 176.094 0.044 0.000 1.039 149 V CA 1.401 63.710 62.300 0.014 0.000 1.053 149 V CB -0.121 31.712 31.823 0.016 0.000 0.695 149 V HN 0.325 nan 8.190 nan 0.000 0.463 150 D N -0.701 119.749 120.400 0.083 0.000 2.389 150 D HA 0.264 4.904 4.640 -0.001 0.000 0.206 150 D C 1.531 177.914 176.300 0.138 0.000 1.055 150 D CA 0.978 55.050 54.000 0.119 0.000 0.856 150 D CB 0.652 41.563 40.800 0.185 0.000 0.957 150 D HN 0.350 nan 8.370 nan 0.000 0.509 151 G N 1.716 110.605 108.800 0.149 0.000 2.672 151 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.324 151 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.324 151 G C 1.385 176.398 174.900 0.189 0.000 1.286 151 G CA 1.283 46.488 45.100 0.175 0.000 1.004 151 G HN 0.442 nan 8.290 nan 0.000 0.548 152 A N -0.196 122.695 122.820 0.119 0.000 2.019 152 A HA 0.003 4.323 4.320 -0.001 0.000 0.219 152 A C 2.251 179.858 177.584 0.037 0.000 1.164 152 A CA 2.684 54.752 52.037 0.051 0.000 0.644 152 A CB -0.448 18.523 19.000 -0.048 0.000 0.805 152 A HN 0.875 nan 8.150 nan 0.000 0.449 153 K N -1.496 118.931 120.400 0.044 0.000 2.057 153 K HA -0.205 4.115 4.320 -0.001 0.000 0.206 153 K C 1.813 178.453 176.600 0.066 0.000 1.050 153 K CA 1.544 57.849 56.287 0.031 0.000 0.935 153 K CB -0.352 32.164 32.500 0.025 0.000 0.715 153 K HN 0.632 nan 8.250 nan 0.000 0.439 154 W N 1.293 122.582 121.300 -0.017 0.000 2.338 154 W HA -0.221 4.439 4.660 -0.001 0.000 0.304 154 W C 1.854 178.377 176.519 0.007 0.000 1.212 154 W CA 2.403 59.747 57.345 -0.002 0.000 1.264 154 W CB -0.439 29.022 29.460 0.001 0.000 1.142 154 W HN 0.171 nan 8.180 nan 0.000 0.512 155 A N -0.052 122.792 122.820 0.039 0.000 1.877 155 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 155 A C 2.052 179.528 177.584 -0.179 0.000 1.186 155 A CA 2.296 54.208 52.037 -0.208 0.000 0.620 155 A CB -1.254 17.714 19.000 -0.052 0.000 0.822 155 A HN 0.211 nan 8.150 nan 0.000 0.443 156 V N 0.804 120.648 119.914 -0.117 0.000 2.295 156 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 156 V C 2.039 178.037 176.094 -0.160 0.000 1.049 156 V CA 2.350 64.587 62.300 -0.105 0.000 1.024 156 V CB -0.830 30.961 31.823 -0.053 0.000 0.648 156 V HN 0.501 nan 8.190 nan 0.000 0.447 157 D N 0.062 120.348 120.400 -0.189 0.000 2.309 157 D HA -0.106 4.534 4.640 -0.001 0.000 0.212 157 D C 1.529 177.647 176.300 -0.303 0.000 0.968 157 D CA 0.938 54.815 54.000 -0.205 0.000 0.882 157 D CB -0.305 40.390 40.800 -0.174 0.000 0.918 157 D HN 0.462 nan 8.370 nan 0.000 0.503 158 N N -0.601 117.827 118.700 -0.453 0.000 2.273 158 N HA 0.162 4.902 4.740 -0.001 0.000 0.231 158 N C 0.895 176.120 175.510 -0.475 0.000 1.134 158 N CA 0.387 53.149 53.050 -0.479 0.000 0.856 158 N CB 1.554 39.573 38.487 -0.780 0.000 1.068 158 N HN 0.154 nan 8.380 nan 0.000 0.510 159 G N 0.624 109.174 108.800 -0.417 0.000 2.175 159 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.244 159 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.244 159 G C -0.441 173.965 174.900 -0.824 0.000 0.982 159 G CA -0.307 44.477 45.100 -0.527 0.000 0.641 159 G HN 0.369 nan 8.290 nan 0.000 0.527 160 Y N 1.238 121.200 120.300 -0.563 0.000 2.454 160 Y HA 0.485 5.034 4.550 -0.001 0.000 0.345 160 Y C 1.236 176.909 175.900 -0.378 0.000 0.970 160 Y CA 0.550 58.234 58.100 -0.693 0.000 1.204 160 Y CB 0.986 39.127 38.460 -0.532 0.000 1.122 160 Y HN 1.111 nan 8.280 nan 0.000 0.514 161 G N 1.666 110.413 108.800 -0.088 0.000 2.681 161 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.220 161 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.220 161 G C -1.184 173.702 174.900 -0.023 0.000 1.353 161 G CA -0.901 44.074 45.100 -0.209 0.000 0.872 161 G HN 0.480 nan 8.290 nan 0.000 0.557 162 W N -0.468 120.838 121.300 0.010 0.000 2.719 162 W HA 0.681 5.341 4.660 -0.001 0.000 0.352 162 W C 0.847 177.349 176.519 -0.027 0.000 1.085 162 W CA -0.548 56.792 57.345 -0.009 0.000 1.187 162 W CB 1.314 30.774 29.460 0.001 0.000 1.417 162 W HN 0.854 nan 8.180 nan 0.000 0.557 163 E N 1.776 122.099 120.200 0.205 0.000 2.085 163 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 163 E C 2.091 178.747 176.600 0.094 0.000 0.994 163 E CA 2.093 58.549 56.400 0.094 0.000 0.801 163 E CB -0.034 29.697 29.700 0.052 0.000 0.743 163 E HN 0.436 nan 8.360 nan 0.000 0.453 164 R N 0.045 120.632 120.500 0.145 0.000 2.285 164 R HA -0.071 4.269 4.340 -0.001 0.000 0.213 164 R C 0.937 177.311 176.300 0.123 0.000 1.068 164 R CA 1.331 57.503 56.100 0.120 0.000 1.004 164 R CB -0.211 30.163 30.300 0.124 0.000 0.873 164 R HN 0.083 nan 8.270 nan 0.000 0.467 165 D N 1.834 122.313 120.400 0.132 0.000 2.144 165 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 165 D C 2.049 178.339 176.300 -0.017 0.000 0.984 165 D CA 1.084 55.107 54.000 0.039 0.000 0.834 165 D CB -0.140 40.627 40.800 -0.053 0.000 0.955 165 D HN 0.272 nan 8.370 nan 0.000 0.465 166 L N 1.129 122.334 121.223 -0.030 0.000 2.127 166 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 166 L C 2.224 179.049 176.870 -0.074 0.000 1.089 166 L CA 1.273 56.065 54.840 -0.080 0.000 0.757 166 L CB -0.686 41.331 42.059 -0.069 0.000 0.899 166 L HN 0.197 nan 8.230 nan 0.000 0.434 167 E N -0.186 120.000 120.200 -0.024 0.000 2.427 167 E HA -0.116 4.234 4.350 -0.001 0.000 0.196 167 E C 1.265 177.884 176.600 0.032 0.000 1.028 167 E CA 0.284 56.678 56.400 -0.009 0.000 0.864 167 E CB -0.030 29.666 29.700 -0.008 0.000 0.813 167 E HN 0.413 nan 8.360 nan 0.000 0.514 168 R N 0.971 121.496 120.500 0.042 0.000 2.427 168 R HA 0.334 4.673 4.340 -0.001 0.000 0.262 168 R C 0.101 176.421 176.300 0.033 0.000 0.943 168 R CA 0.057 56.249 56.100 0.154 0.000 1.081 168 R CB 0.128 30.518 30.300 0.149 0.000 1.166 168 R HN 0.202 nan 8.270 nan 0.000 0.534 169 L N 0.473 121.607 121.223 -0.148 0.000 2.342 169 L HA 0.408 4.748 4.340 -0.001 0.000 0.271 169 L C 0.523 177.109 176.870 -0.474 0.000 1.008 169 L CA -1.024 53.563 54.840 -0.423 0.000 0.818 169 L CB 2.019 43.813 42.059 -0.441 0.000 1.296 169 L HN -0.021 nan 8.230 nan 0.000 0.427 170 E N 2.072 121.901 120.200 -0.617 0.000 2.452 170 E HA -0.075 4.275 4.350 -0.001 0.000 0.261 170 E C -0.121 176.193 176.600 -0.477 0.000 0.987 170 E CA 0.044 56.256 56.400 -0.313 0.000 0.926 170 E CB 0.426 30.077 29.700 -0.082 0.000 0.934 170 E HN 0.586 nan 8.360 nan 0.000 0.452 171 E N 2.233 122.252 120.200 -0.302 0.000 3.253 171 E HA -0.284 4.065 4.350 -0.001 0.000 0.284 171 E C 0.710 177.036 176.600 -0.457 0.000 0.958 171 E CA 1.160 57.339 56.400 -0.368 0.000 0.917 171 E CB -1.950 27.455 29.700 -0.491 0.000 1.466 171 E HN 1.014 nan 8.360 nan 0.000 0.455 172 G N -0.905 107.651 108.800 -0.406 0.000 2.180 172 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.263 172 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.263 172 G C 1.020 175.615 174.900 -0.508 0.000 0.989 172 G CA 1.293 46.189 45.100 -0.339 0.000 0.692 172 G HN 1.546 nan 8.290 nan 0.000 0.526 173 G N -1.152 107.053 108.800 -0.992 0.000 2.160 173 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.251 173 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.251 173 G C 0.126 174.650 174.900 -0.627 0.000 1.008 173 G CA 1.198 45.552 45.100 -1.244 0.000 0.724 173 G HN 1.807 nan 8.290 nan 0.000 0.514 174 R N -0.618 119.554 120.500 -0.545 0.000 2.658 174 R HA 0.477 4.817 4.340 -0.001 0.000 0.287 174 R C -0.575 175.650 176.300 -0.126 0.000 1.209 174 R CA -0.887 55.117 56.100 -0.160 0.000 1.046 174 R CB 0.401 30.646 30.300 -0.091 0.000 1.247 174 R HN 0.175 nan 8.270 nan 0.000 0.405 175 M N 3.100 122.701 119.600 0.001 0.000 2.144 175 M HA 0.203 4.683 4.480 -0.001 0.000 0.356 175 M C 0.062 176.340 176.300 -0.037 0.000 1.217 175 M CA -0.554 54.739 55.300 -0.012 0.000 1.087 175 M CB 1.540 34.159 32.600 0.032 0.000 1.609 175 M HN 0.506 nan 8.290 nan 0.000 0.467 176 E N 1.517 121.693 120.200 -0.039 0.000 2.398 176 E HA 0.336 4.685 4.350 -0.001 0.000 0.263 176 E C 0.937 177.501 176.600 -0.061 0.000 1.046 176 E CA 1.382 57.761 56.400 -0.034 0.000 0.908 176 E CB 0.585 30.276 29.700 -0.014 0.000 0.963 176 E HN 0.779 nan 8.360 nan 0.000 0.431 177 G N 1.969 110.735 108.800 -0.056 0.000 2.157 177 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.239 177 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.239 177 G C 0.290 175.116 174.900 -0.123 0.000 0.982 177 G CA 0.079 45.132 45.100 -0.078 0.000 0.650 177 G HN 0.873 nan 8.290 nan 0.000 0.527 178 A N 0.022 122.774 122.820 -0.113 0.000 2.425 178 A HA 0.532 4.852 4.320 -0.001 0.000 0.249 178 A C 0.110 177.642 177.584 -0.087 0.000 1.084 178 A CA 0.767 52.728 52.037 -0.126 0.000 0.781 178 A CB 0.565 19.514 19.000 -0.085 0.000 1.019 178 A HN 0.506 nan 8.150 nan 0.000 0.490 179 D N 2.449 122.795 120.400 -0.091 0.000 2.462 179 D HA 0.453 5.092 4.640 -0.001 0.000 0.245 179 D C -2.097 174.181 176.300 -0.038 0.000 1.122 179 D CA -1.967 52.002 54.000 -0.052 0.000 0.864 179 D CB 1.676 42.449 40.800 -0.045 0.000 1.098 179 D HN 0.095 nan 8.370 nan 0.000 0.541 180 P HA -0.089 nan 4.420 nan 0.000 0.219 180 P C 0.672 177.976 177.300 0.007 0.000 1.146 180 P CA 0.959 64.050 63.100 -0.016 0.000 0.808 180 P CB 0.383 32.077 31.700 -0.010 0.000 0.779 181 E N -0.653 119.556 120.200 0.015 0.000 2.347 181 E HA 0.000 4.350 4.350 -0.001 0.000 0.196 181 E C 1.775 178.406 176.600 0.051 0.000 1.008 181 E CA 0.640 57.060 56.400 0.033 0.000 0.852 181 E CB -0.285 29.433 29.700 0.029 0.000 0.783 181 E HN 0.194 nan 8.360 nan 0.000 0.505 182 A N 0.905 123.756 122.820 0.052 0.000 2.238 182 A HA 0.075 4.394 4.320 -0.001 0.000 0.208 182 A C 0.850 178.538 177.584 0.173 0.000 1.177 182 A CA 0.093 52.203 52.037 0.122 0.000 0.804 182 A CB 0.383 19.422 19.000 0.064 0.000 0.823 182 A HN -0.013 nan 8.150 nan 0.000 0.482 183 V N 1.995 121.956 119.914 0.079 0.000 2.370 183 V HA 0.308 4.427 4.120 -0.001 0.000 0.279 183 V C 0.831 176.938 176.094 0.022 0.000 1.029 183 V CA -0.268 62.063 62.300 0.052 0.000 0.870 183 V CB 0.967 32.774 31.823 -0.028 0.000 0.984 183 V HN 0.534 nan 8.190 nan 0.000 0.451 184 S N 3.771 119.471 115.700 0.000 0.000 2.576 184 S HA 0.010 4.480 4.470 -0.001 0.000 0.272 184 S C 1.107 175.650 174.600 -0.096 0.000 1.352 184 S CA 0.395 58.563 58.200 -0.053 0.000 1.021 184 S CB 0.825 63.970 63.200 -0.090 0.000 0.887 184 S HN 0.816 nan 8.310 nan 0.000 0.542 185 Q N 1.138 120.854 119.800 -0.141 0.000 2.084 185 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 185 Q C 2.377 178.102 176.000 -0.458 0.000 0.978 185 Q CA 1.464 57.073 55.803 -0.322 0.000 0.844 185 Q CB -0.184 28.332 28.738 -0.370 0.000 0.898 185 Q HN 0.876 nan 8.270 nan 0.000 0.426 186 R N -0.208 120.103 120.500 -0.315 0.000 2.081 186 R HA -0.154 4.185 4.340 -0.001 0.000 0.235 186 R C 2.157 178.318 176.300 -0.233 0.000 1.131 186 R CA 1.422 57.352 56.100 -0.282 0.000 0.960 186 R CB -0.390 29.799 30.300 -0.185 0.000 0.856 186 R HN 0.334 nan 8.270 nan 0.000 0.436 187 A N 1.212 123.928 122.820 -0.174 0.000 1.902 187 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 187 A C 1.962 179.421 177.584 -0.208 0.000 1.181 187 A CA 1.674 53.620 52.037 -0.151 0.000 0.623 187 A CB -0.347 18.590 19.000 -0.106 0.000 0.818 187 A HN 0.374 nan 8.150 nan 0.000 0.443 188 K N -0.524 119.756 120.400 -0.201 0.000 2.147 188 K HA -0.157 4.163 4.320 -0.001 0.000 0.205 188 K C 2.239 178.757 176.600 -0.136 0.000 1.049 188 K CA 1.528 57.724 56.287 -0.151 0.000 0.936 188 K CB -0.180 32.350 32.500 0.050 0.000 0.722 188 K HN 0.619 nan 8.250 nan 0.000 0.446 189 Q N 0.205 119.820 119.800 -0.309 0.000 2.172 189 Q HA -0.064 4.276 4.340 -0.001 0.000 0.200 189 Q C 2.083 177.980 176.000 -0.172 0.000 0.964 189 Q CA 1.024 56.622 55.803 -0.341 0.000 0.855 189 Q CB 0.077 28.465 28.738 -0.582 0.000 0.918 189 Q HN 0.246 nan 8.270 nan 0.000 0.444 190 R N -0.391 120.012 120.500 -0.162 0.000 2.073 190 R HA -0.045 4.294 4.340 -0.001 0.000 0.229 190 R C 2.271 178.538 176.300 -0.056 0.000 1.120 190 R CA 1.206 57.247 56.100 -0.099 0.000 0.967 190 R CB -0.243 30.002 30.300 -0.092 0.000 0.862 190 R HN 0.266 nan 8.270 nan 0.000 0.436 191 G N 0.407 109.144 108.800 -0.105 0.000 2.411 191 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.213 191 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.213 191 G C 1.546 176.555 174.900 0.182 0.000 1.166 191 G CA 0.550 45.619 45.100 -0.051 0.000 0.802 191 G HN 0.351 nan 8.290 nan 0.000 0.533 192 A N 2.007 124.876 122.820 0.083 0.000 1.884 192 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 192 A C 0.748 178.430 177.584 0.163 0.000 1.197 192 A CA 2.300 54.443 52.037 0.176 0.000 0.637 192 A CB -1.465 17.602 19.000 0.112 0.000 0.827 192 A HN 0.386 nan 8.150 nan 0.000 0.450 193 P HA -0.135 nan 4.420 nan 0.000 0.221 193 P C 1.073 178.426 177.300 0.088 0.000 1.145 193 P CA 1.267 64.419 63.100 0.086 0.000 0.795 193 P CB -0.073 31.662 31.700 0.057 0.000 0.775 194 Q N -1.323 118.546 119.800 0.114 0.000 2.360 194 Q HA 0.096 4.436 4.340 -0.001 0.000 0.202 194 Q C 0.399 176.430 176.000 0.051 0.000 0.915 194 Q CA -0.394 55.462 55.803 0.090 0.000 0.943 194 Q CB -0.121 28.673 28.738 0.093 0.000 1.064 194 Q HN 0.205 nan 8.270 nan 0.000 0.511 195 L N 1.258 122.505 121.223 0.041 0.000 2.534 195 L HA 0.175 4.515 4.340 -0.001 0.000 0.271 195 L C 0.665 177.493 176.870 -0.069 0.000 1.178 195 L CA 1.611 56.329 54.840 -0.204 0.000 0.907 195 L CB 0.111 42.009 42.059 -0.270 0.000 1.164 195 L HN 0.348 nan 8.230 nan 0.000 0.482 196 G N 2.657 111.400 108.800 -0.095 0.000 2.356 196 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.233 196 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.233 196 G C -0.150 174.891 174.900 0.235 0.000 1.105 196 G CA 0.092 45.282 45.100 0.150 0.000 0.861 196 G HN 1.428 nan 8.290 nan 0.000 0.493 197 S N -1.736 114.010 115.700 0.077 0.000 2.565 197 S HA 0.709 5.179 4.470 -0.001 0.000 0.269 197 S C 0.314 174.906 174.600 -0.015 0.000 1.153 197 S CA -0.596 57.633 58.200 0.049 0.000 0.835 197 S CB 1.533 64.742 63.200 0.015 0.000 1.122 197 S HN 0.674 nan 8.310 nan 0.000 0.462 198 L N 1.882 123.097 121.223 -0.014 0.000 2.209 198 L HA 0.472 4.811 4.340 -0.001 0.000 0.207 198 L C 1.789 178.641 176.870 -0.030 0.000 1.094 198 L CA 2.524 57.342 54.840 -0.036 0.000 0.790 198 L CB -1.554 40.515 42.059 0.015 0.000 0.932 198 L HN 1.406 nan 8.230 nan 0.000 0.447 199 G N -1.433 107.374 108.800 0.013 0.000 2.527 199 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.227 199 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.227 199 G C -0.045 174.919 174.900 0.107 0.000 1.291 199 G CA -0.069 45.073 45.100 0.070 0.000 0.904 199 G HN 0.487 nan 8.290 nan 0.000 0.577 200 S N -2.515 113.269 115.700 0.140 0.000 3.359 200 S HA 0.835 5.305 4.470 -0.001 0.000 0.323 200 S C 1.265 175.867 174.600 0.002 0.000 1.143 200 S CA 1.335 59.584 58.200 0.082 0.000 0.989 200 S CB 0.717 63.948 63.200 0.050 0.000 1.375 200 S HN 2.960 nan 8.310 nan 0.000 0.728 201 G N 2.246 111.038 108.800 -0.013 0.000 2.556 201 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.283 201 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.283 201 G C 0.281 175.159 174.900 -0.038 0.000 1.177 201 G CA 0.611 45.673 45.100 -0.063 0.000 0.978 201 G HN 0.869 nan 8.290 nan 0.000 0.554 202 N N 0.812 119.430 118.700 -0.137 0.000 2.313 202 N HA 0.050 4.790 4.740 -0.001 0.000 0.207 202 N C 0.037 175.508 175.510 -0.066 0.000 1.141 202 N CA -0.175 52.894 53.050 0.032 0.000 0.830 202 N CB -0.132 38.450 38.487 0.158 0.000 1.008 202 N HN 0.523 nan 8.380 nan 0.000 0.481 203 H N 0.503 119.511 119.070 -0.103 0.000 2.511 203 H HA 0.294 4.850 4.556 -0.001 0.000 0.346 203 H C -0.209 175.107 175.328 -0.020 0.000 1.128 203 H CA 0.159 56.015 56.048 -0.320 0.000 1.342 203 H CB 0.630 30.234 29.762 -0.263 0.000 1.470 203 H HN 0.167 nan 8.280 nan 0.000 0.546 204 F N -0.546 119.491 119.950 0.144 0.000 2.978 204 F HA 0.459 4.986 4.527 -0.001 0.000 0.324 204 F C -2.261 173.615 175.800 0.126 0.000 1.157 204 F CA -1.226 56.850 58.000 0.126 0.000 0.879 204 F CB 1.147 40.215 39.000 0.113 0.000 1.364 204 F HN 0.343 nan 8.300 nan 0.000 0.465 205 L N 1.476 123.038 121.223 0.564 0.000 2.404 205 L HA 0.588 4.928 4.340 -0.001 0.000 0.272 205 L C -1.393 175.721 176.870 0.407 0.000 0.980 205 L CA -0.157 54.933 54.840 0.417 0.000 0.836 205 L CB 1.740 43.962 42.059 0.272 0.000 1.238 205 L HN 0.771 nan 8.230 nan 0.000 0.408 206 E N 3.574 124.007 120.200 0.387 0.000 2.222 206 E HA 0.399 4.749 4.350 -0.001 0.000 0.267 206 E C -1.262 175.444 176.600 0.176 0.000 0.884 206 E CA -0.850 55.653 56.400 0.171 0.000 0.764 206 E CB 3.143 32.829 29.700 -0.023 0.000 1.169 206 E HN 0.247 nan 8.360 nan 0.000 0.413 207 V N 3.750 123.755 119.914 0.151 0.000 2.385 207 V HA 0.154 4.274 4.120 -0.001 0.000 0.269 207 V C -0.054 176.102 176.094 0.103 0.000 1.043 207 V CA -0.187 62.222 62.300 0.181 0.000 0.906 207 V CB 0.819 32.763 31.823 0.201 0.000 0.995 207 V HN 0.627 nan 8.190 nan 0.000 0.467 208 Q N 3.243 123.094 119.800 0.084 0.000 2.445 208 Q HA 0.789 5.129 4.340 -0.001 0.000 0.281 208 Q C -1.437 174.567 176.000 0.006 0.000 1.101 208 Q CA -0.951 54.869 55.803 0.028 0.000 0.833 208 Q CB 2.962 31.709 28.738 0.014 0.000 1.416 208 Q HN 0.484 nan 8.270 nan 0.000 0.451 209 V N 1.136 121.034 119.914 -0.027 0.000 2.540 209 V HA 0.250 4.369 4.120 -0.001 0.000 0.302 209 V C -0.469 175.574 176.094 -0.085 0.000 1.035 209 V CA -0.864 61.404 62.300 -0.054 0.000 0.873 209 V CB 1.939 33.740 31.823 -0.038 0.000 0.992 209 V HN 0.537 nan 8.190 nan 0.000 0.428 210 V N 4.974 124.812 119.914 -0.126 0.000 2.446 210 V HA 0.124 4.244 4.120 -0.001 0.000 0.276 210 V C 0.887 176.912 176.094 -0.115 0.000 1.030 210 V CA 0.272 62.495 62.300 -0.128 0.000 1.033 210 V CB 0.774 32.493 31.823 -0.173 0.000 0.993 210 V HN 1.100 nan 8.190 nan 0.000 0.477 211 D N 3.270 123.602 120.400 -0.113 0.000 2.433 211 D HA 0.137 4.777 4.640 -0.001 0.000 0.211 211 D C 0.303 176.521 176.300 -0.138 0.000 1.114 211 D CA -0.151 53.786 54.000 -0.105 0.000 0.837 211 D CB 0.637 41.384 40.800 -0.088 0.000 0.984 211 D HN 0.519 nan 8.370 nan 0.000 0.505 212 K N 0.245 120.530 120.400 -0.192 0.000 2.569 212 K HA 0.425 4.745 4.320 -0.001 0.000 0.259 212 K C -1.886 174.471 176.600 -0.405 0.000 0.932 212 K CA -0.597 55.495 56.287 -0.325 0.000 0.833 212 K CB 1.881 34.116 32.500 -0.442 0.000 1.340 212 K HN -0.104 nan 8.250 nan 0.000 0.429 213 I N 5.726 126.065 120.570 -0.385 0.000 2.389 213 I HA 0.264 4.434 4.170 -0.001 0.000 0.288 213 I C -0.095 175.823 176.117 -0.332 0.000 0.999 213 I CA -0.572 60.572 61.300 -0.259 0.000 1.129 213 I CB 1.164 39.108 38.000 -0.092 0.000 1.288 213 I HN 0.712 nan 8.210 nan 0.000 0.444 214 F N 2.075 122.048 119.950 0.040 0.000 2.505 214 F HA 0.123 4.650 4.527 -0.001 0.000 0.289 214 F C 1.059 176.869 175.800 0.017 0.000 1.101 214 F CA 0.191 58.214 58.000 0.038 0.000 1.446 214 F CB 0.408 39.443 39.000 0.058 0.000 1.123 214 F HN 0.333 nan 8.300 nan 0.000 0.564 215 D N 0.129 120.637 120.400 0.180 0.000 2.389 215 D HA 0.220 4.860 4.640 -0.001 0.000 0.256 215 D C -2.258 174.057 176.300 0.026 0.000 1.239 215 D CA -2.013 52.035 54.000 0.079 0.000 0.925 215 D CB 1.648 42.477 40.800 0.047 0.000 1.145 215 D HN -0.119 nan 8.370 nan 0.000 0.542 216 P HA -0.158 nan 4.420 nan 0.000 0.216 216 P C 0.754 178.051 177.300 -0.006 0.000 1.153 216 P CA 1.342 64.448 63.100 0.009 0.000 0.858 216 P CB 0.569 32.276 31.700 0.012 0.000 0.789 217 E N -0.826 119.363 120.200 -0.017 0.000 2.072 217 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 217 E C 1.984 178.536 176.600 -0.079 0.000 0.985 217 E CA 0.946 57.328 56.400 -0.030 0.000 0.801 217 E CB -1.266 28.420 29.700 -0.024 0.000 0.750 217 E HN 0.064 nan 8.360 nan 0.000 0.452 218 V N 1.090 120.919 119.914 -0.141 0.000 2.379 218 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 218 V C 2.245 178.099 176.094 -0.401 0.000 1.044 218 V CA 1.564 63.660 62.300 -0.340 0.000 1.036 218 V CB -0.800 30.783 31.823 -0.400 0.000 0.664 218 V HN 0.355 nan 8.190 nan 0.000 0.453 219 A N 0.075 122.790 122.820 -0.174 0.000 1.940 219 A HA -0.279 4.041 4.320 -0.001 0.000 0.219 219 A C 2.346 179.952 177.584 0.036 0.000 1.176 219 A CA 2.270 54.284 52.037 -0.039 0.000 0.631 219 A CB -0.468 18.551 19.000 0.031 0.000 0.814 219 A HN 0.536 nan 8.150 nan 0.000 0.446 220 K N -0.329 120.084 120.400 0.022 0.000 2.057 220 K HA -0.035 4.285 4.320 -0.001 0.000 0.206 220 K C 2.102 178.762 176.600 0.099 0.000 1.050 220 K CA 1.148 57.478 56.287 0.071 0.000 0.935 220 K CB -0.331 32.196 32.500 0.044 0.000 0.715 220 K HN 0.341 nan 8.250 nan 0.000 0.439 221 A N 0.230 123.081 122.820 0.051 0.000 2.019 221 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 221 A C 1.649 179.458 177.584 0.376 0.000 1.164 221 A CA 1.007 53.135 52.037 0.151 0.000 0.644 221 A CB -0.678 18.370 19.000 0.081 0.000 0.805 221 A HN 0.520 nan 8.150 nan 0.000 0.449 222 Y N -1.004 119.364 120.300 0.113 0.000 2.490 222 Y HA 0.243 4.793 4.550 -0.001 0.000 0.281 222 Y C 1.751 177.735 175.900 0.139 0.000 1.174 222 Y CA -0.084 58.056 58.100 0.066 0.000 1.295 222 Y CB 0.176 38.582 38.460 -0.089 0.000 1.062 222 Y HN 0.496 nan 8.280 nan 0.000 0.522 223 G N 1.621 110.599 108.800 0.297 0.000 2.212 223 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.255 223 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.255 223 G C -0.566 174.473 174.900 0.232 0.000 1.062 223 G CA -0.085 45.161 45.100 0.244 0.000 0.815 223 G HN 0.265 nan 8.290 nan 0.000 0.497 224 L N -0.800 120.553 121.223 0.216 0.000 2.341 224 L HA 0.963 5.303 4.340 -0.001 0.000 0.267 224 L C 0.187 177.182 176.870 0.207 0.000 1.009 224 L CA -1.496 53.423 54.840 0.132 0.000 0.819 224 L CB 1.828 43.940 42.059 0.089 0.000 1.323 224 L HN 0.330 nan 8.230 nan 0.000 0.425 225 F N -1.717 118.253 119.950 0.033 0.000 2.668 225 F HA 0.500 5.027 4.527 -0.001 0.000 0.309 225 F C -0.501 175.300 175.800 0.001 0.000 1.117 225 F CA -1.110 56.898 58.000 0.013 0.000 0.951 225 F CB 1.233 40.240 39.000 0.012 0.000 1.323 225 F HN 0.394 nan 8.300 nan 0.000 0.451 226 E N 0.741 121.017 120.200 0.127 0.000 2.376 226 E HA 0.404 4.754 4.350 -0.001 0.000 0.266 226 E C 0.996 177.624 176.600 0.046 0.000 1.009 226 E CA 1.291 57.703 56.400 0.019 0.000 0.902 226 E CB 0.573 30.292 29.700 0.031 0.000 0.972 226 E HN 1.176 nan 8.360 nan 0.000 0.439 227 G N 3.351 112.113 108.800 -0.064 0.000 2.195 227 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.246 227 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.246 227 G C 0.266 175.086 174.900 -0.133 0.000 0.984 227 G CA 0.386 45.471 45.100 -0.025 0.000 0.633 227 G HN 0.603 nan 8.290 nan 0.000 0.525 228 Q N 0.642 120.141 119.800 -0.502 0.000 2.352 228 Q HA 0.494 4.833 4.340 -0.001 0.000 0.260 228 Q C -0.012 175.802 176.000 -0.310 0.000 0.976 228 Q CA -0.271 55.093 55.803 -0.731 0.000 0.881 228 Q CB 1.008 28.798 28.738 -1.581 0.000 1.235 228 Q HN 0.226 nan 8.270 nan 0.000 0.419 229 V N 5.244 125.062 119.914 -0.159 0.000 2.465 229 V HA 0.356 4.476 4.120 -0.001 0.000 0.279 229 V C 0.080 176.144 176.094 -0.050 0.000 1.045 229 V CA -0.280 61.994 62.300 -0.043 0.000 0.938 229 V CB 1.131 32.992 31.823 0.064 0.000 0.986 229 V HN 0.663 nan 8.190 nan 0.000 0.467 230 V N 3.710 123.611 119.914 -0.021 0.000 3.126 230 V HA 0.840 4.960 4.120 -0.001 0.000 0.314 230 V C -0.760 175.360 176.094 0.042 0.000 1.138 230 V CA -0.786 61.501 62.300 -0.022 0.000 1.034 230 V CB 2.292 34.095 31.823 -0.033 0.000 1.075 230 V HN 0.421 nan 8.190 nan 0.000 0.442 231 V N 2.865 122.795 119.914 0.027 0.000 2.487 231 V HA 0.551 4.670 4.120 -0.001 0.000 0.298 231 V C -0.238 175.912 176.094 0.094 0.000 1.028 231 V CA -0.319 62.037 62.300 0.093 0.000 0.860 231 V CB 1.601 33.473 31.823 0.082 0.000 0.991 231 V HN 1.023 nan 8.190 nan 0.000 0.427 232 M N 5.319 125.015 119.600 0.161 0.000 2.268 232 M HA 0.690 5.170 4.480 -0.001 0.000 0.344 232 M C -1.560 174.859 176.300 0.199 0.000 1.106 232 M CA -0.463 54.946 55.300 0.181 0.000 1.010 232 M CB 1.642 34.404 32.600 0.269 0.000 1.649 232 M HN 0.455 nan 8.290 nan 0.000 0.443 233 V N 4.349 124.308 119.914 0.075 0.000 2.409 233 V HA 0.362 4.482 4.120 -0.001 0.000 0.291 233 V C -1.100 174.936 176.094 -0.096 0.000 1.020 233 V CA -0.646 61.658 62.300 0.006 0.000 0.848 233 V CB 1.209 33.026 31.823 -0.010 0.000 0.990 233 V HN 0.780 nan 8.190 nan 0.000 0.430 234 H N 3.809 122.618 119.070 -0.435 0.000 2.860 234 H HA 0.752 5.307 4.556 -0.001 0.000 0.312 234 H C -0.285 174.815 175.328 -0.380 0.000 0.995 234 H CA -0.092 55.648 56.048 -0.513 0.000 1.311 234 H CB 1.338 30.500 29.762 -1.000 0.000 1.478 234 H HN 0.858 nan 8.280 nan 0.000 0.508 235 T N 1.112 115.424 114.554 -0.404 0.000 2.739 235 T HA 0.710 5.059 4.350 -0.001 0.000 0.303 235 T C 0.057 174.369 174.700 -0.648 0.000 1.389 235 T CA -0.427 61.181 62.100 -0.819 0.000 1.001 235 T CB 1.747 70.313 68.868 -0.503 0.000 1.436 235 T HN 0.597 nan 8.240 nan 0.000 0.500 236 G N -0.022 108.363 108.800 -0.691 0.000 3.252 236 G HA2 0.531 4.490 3.960 -0.001 0.000 0.181 236 G HA3 0.531 4.490 3.960 -0.001 0.000 0.181 236 G C 0.642 175.423 174.900 -0.198 0.000 1.187 236 G CA -0.060 44.841 45.100 -0.331 0.000 0.886 236 G HN 1.318 nan 8.290 nan 0.000 0.615 237 S N -0.076 115.583 115.700 -0.068 0.000 2.671 237 S HA 0.127 4.597 4.470 -0.001 0.000 0.220 237 S C 0.813 175.532 174.600 0.198 0.000 0.951 237 S CA 0.053 58.312 58.200 0.097 0.000 0.932 237 S CB -0.039 63.207 63.200 0.077 0.000 0.777 237 S HN 0.503 nan 8.310 nan 0.000 0.508 238 R N 0.626 121.174 120.500 0.080 0.000 3.322 238 R HA -0.214 4.126 4.340 -0.001 0.000 0.253 238 R C 1.250 177.613 176.300 0.105 0.000 0.987 238 R CA 0.780 56.936 56.100 0.093 0.000 0.666 238 R CB -2.689 27.672 30.300 0.102 0.000 1.072 238 R HN 1.125 nan 8.270 nan 0.000 0.447 239 G N -0.645 108.209 108.800 0.090 0.000 2.317 239 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.227 239 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.227 239 G C 0.755 175.676 174.900 0.035 0.000 1.042 239 G CA 0.329 45.462 45.100 0.055 0.000 0.623 239 G HN 0.397 nan 8.290 nan 0.000 0.509 240 L N 1.368 122.570 121.223 -0.035 0.000 2.056 240 L HA 0.322 4.662 4.340 -0.001 0.000 0.207 240 L C 2.747 179.572 176.870 -0.075 0.000 1.078 240 L CA 2.687 57.418 54.840 -0.181 0.000 0.749 240 L CB -0.573 41.133 42.059 -0.589 0.000 0.901 240 L HN 0.380 nan 8.230 nan 0.000 0.433 241 G N -1.726 107.071 108.800 -0.005 0.000 2.402 241 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.216 241 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.216 241 G C 1.555 176.509 174.900 0.090 0.000 1.162 241 G CA 0.704 45.818 45.100 0.023 0.000 0.777 241 G HN 0.514 nan 8.290 nan 0.000 0.539 242 H N 0.346 119.460 119.070 0.072 0.000 2.352 242 H HA -0.105 4.450 4.556 -0.001 0.000 0.299 242 H C 2.579 177.989 175.328 0.137 0.000 1.097 242 H CA 2.096 58.234 56.048 0.150 0.000 1.311 242 H CB -0.023 29.790 29.762 0.086 0.000 1.377 242 H HN 0.377 nan 8.280 nan 0.000 0.504 243 Q N 0.422 120.351 119.800 0.216 0.000 2.079 243 Q HA -0.062 4.278 4.340 -0.001 0.000 0.200 243 Q C 2.625 178.675 176.000 0.083 0.000 0.974 243 Q CA 1.603 57.482 55.803 0.127 0.000 0.840 243 Q CB -0.478 28.279 28.738 0.032 0.000 0.898 243 Q HN 0.274 nan 8.270 nan 0.000 0.430 244 V N 0.767 120.733 119.914 0.086 0.000 2.287 244 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 244 V C 2.272 178.514 176.094 0.247 0.000 1.053 244 V CA 1.932 64.340 62.300 0.180 0.000 1.027 244 V CB -1.295 30.609 31.823 0.134 0.000 0.646 244 V HN 0.518 nan 8.190 nan 0.000 0.447 245 A N -0.548 122.340 122.820 0.114 0.000 1.902 245 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 245 A C 2.476 180.005 177.584 -0.092 0.000 1.181 245 A CA 2.327 54.342 52.037 -0.036 0.000 0.623 245 A CB -0.686 18.128 19.000 -0.309 0.000 0.818 245 A HN 0.527 nan 8.150 nan 0.000 0.443 246 S N 0.167 115.866 115.700 -0.001 0.000 2.368 246 S HA -0.138 4.332 4.470 -0.001 0.000 0.224 246 S C 1.637 176.229 174.600 -0.013 0.000 1.029 246 S CA 1.315 59.536 58.200 0.036 0.000 0.988 246 S CB -0.437 62.825 63.200 0.104 0.000 0.838 246 S HN 0.606 nan 8.310 nan 0.000 0.462 247 D N 0.596 120.984 120.400 -0.020 0.000 2.092 247 D HA -0.102 4.537 4.640 -0.001 0.000 0.193 247 D C 1.621 177.773 176.300 -0.246 0.000 0.994 247 D CA 1.350 55.264 54.000 -0.144 0.000 0.828 247 D CB -0.408 40.273 40.800 -0.199 0.000 0.963 247 D HN 0.468 nan 8.370 nan 0.000 0.450 248 Y N 0.510 120.797 120.300 -0.022 0.000 2.439 248 Y HA 0.055 4.604 4.550 -0.001 0.000 0.292 248 Y C 2.370 178.197 175.900 -0.121 0.000 1.130 248 Y CA 0.218 58.287 58.100 -0.053 0.000 1.254 248 Y CB -0.159 38.290 38.460 -0.018 0.000 1.000 248 Y HN -0.052 nan 8.280 nan 0.000 0.554 249 L N 0.054 121.252 121.223 -0.041 0.000 2.056 249 L HA -0.201 4.138 4.340 -0.001 0.000 0.207 249 L C 2.667 179.537 176.870 -0.001 0.000 1.078 249 L CA 1.575 56.391 54.840 -0.041 0.000 0.749 249 L CB -0.410 41.603 42.059 -0.076 0.000 0.901 249 L HN 0.237 nan 8.230 nan 0.000 0.433 250 R N 0.719 121.204 120.500 -0.025 0.000 2.090 250 R HA -0.126 4.214 4.340 -0.001 0.000 0.228 250 R C 2.118 178.392 176.300 -0.044 0.000 1.110 250 R CA 1.374 57.460 56.100 -0.022 0.000 0.973 250 R CB -0.561 29.717 30.300 -0.037 0.000 0.869 250 R HN 0.248 nan 8.270 nan 0.000 0.440 251 I N 1.160 121.682 120.570 -0.080 0.000 2.226 251 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 251 I C 2.517 178.628 176.117 -0.009 0.000 1.100 251 I CA 1.606 62.865 61.300 -0.068 0.000 1.374 251 I CB -0.127 37.796 38.000 -0.128 0.000 1.057 251 I HN 0.264 nan 8.210 nan 0.000 0.413 252 M N -0.394 119.215 119.600 0.015 0.000 2.254 252 M HA -0.167 4.313 4.480 -0.001 0.000 0.265 252 M C 2.008 178.291 176.300 -0.029 0.000 1.066 252 M CA 1.545 56.858 55.300 0.022 0.000 1.123 252 M CB -0.369 32.243 32.600 0.020 0.000 1.388 252 M HN 0.173 nan 8.290 nan 0.000 0.425 253 E N 0.110 120.294 120.200 -0.028 0.000 2.150 253 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 253 E C 2.027 178.557 176.600 -0.116 0.000 0.985 253 E CA 0.830 57.188 56.400 -0.070 0.000 0.814 253 E CB -0.142 29.570 29.700 0.021 0.000 0.752 253 E HN 0.412 nan 8.360 nan 0.000 0.466 254 R N 0.838 121.294 120.500 -0.074 0.000 2.115 254 R HA -0.010 4.330 4.340 -0.001 0.000 0.226 254 R C 1.681 177.918 176.300 -0.105 0.000 1.100 254 R CA 1.100 57.151 56.100 -0.081 0.000 0.980 254 R CB -0.012 30.252 30.300 -0.058 0.000 0.875 254 R HN 0.065 nan 8.270 nan 0.000 0.445 255 A N 0.655 123.424 122.820 -0.085 0.000 2.327 255 A HA 0.061 4.380 4.320 -0.001 0.000 0.228 255 A C 1.508 179.010 177.584 -0.137 0.000 1.275 255 A CA -0.096 51.881 52.037 -0.099 0.000 0.875 255 A CB -0.465 18.552 19.000 0.029 0.000 0.925 255 A HN 0.421 nan 8.150 nan 0.000 0.493 256 I N 0.258 120.701 120.570 -0.211 0.000 2.087 256 I HA -0.275 3.894 4.170 -0.001 0.000 0.240 256 I C 2.135 178.098 176.117 -0.256 0.000 1.054 256 I CA 1.858 62.955 61.300 -0.338 0.000 1.311 256 I CB -0.040 37.635 38.000 -0.541 0.000 1.024 256 I HN 0.361 nan 8.210 nan 0.000 0.402 257 R N -0.254 120.116 120.500 -0.216 0.000 2.310 257 R HA -0.012 4.328 4.340 -0.001 0.000 0.202 257 R C 2.049 178.240 176.300 -0.181 0.000 0.933 257 R CA 0.223 56.223 56.100 -0.166 0.000 1.054 257 R CB -0.131 30.089 30.300 -0.133 0.000 0.985 257 R HN 0.391 nan 8.270 nan 0.000 0.489 258 K N 0.232 120.475 120.400 -0.263 0.000 2.103 258 K HA -0.113 4.207 4.320 -0.001 0.000 0.204 258 K C 0.625 176.901 176.600 -0.541 0.000 1.052 258 K CA 1.383 57.402 56.287 -0.446 0.000 0.945 258 K CB 0.215 32.339 32.500 -0.628 0.000 0.722 258 K HN 0.192 nan 8.250 nan 0.000 0.443 259 Y N -0.638 119.620 120.300 -0.072 0.000 2.426 259 Y HA 0.314 4.863 4.550 -0.001 0.000 0.249 259 Y C -0.111 175.756 175.900 -0.055 0.000 1.103 259 Y CA -0.597 57.470 58.100 -0.055 0.000 1.256 259 Y CB 0.749 39.179 38.460 -0.051 0.000 1.208 259 Y HN -0.126 nan 8.280 nan 0.000 0.519 260 R N 0.930 121.448 120.500 0.031 0.000 3.405 260 R HA -0.180 4.160 4.340 -0.001 0.000 0.258 260 R C -0.845 175.478 176.300 0.038 0.000 1.030 260 R CA 0.123 56.228 56.100 0.008 0.000 0.691 260 R CB -1.851 28.450 30.300 0.002 0.000 1.093 260 R HN 0.162 nan 8.270 nan 0.000 0.448 261 I N 1.048 121.645 120.570 0.045 0.000 2.634 261 I HA 0.116 4.285 4.170 -0.001 0.000 0.284 261 I C -1.188 174.973 176.117 0.072 0.000 1.124 261 I CA -2.513 58.812 61.300 0.041 0.000 1.417 261 I CB -0.019 37.993 38.000 0.019 0.000 1.396 261 I HN -0.085 nan 8.210 nan 0.000 0.571 262 P HA -0.107 nan 4.420 nan 0.000 0.264 262 P C -0.862 176.556 177.300 0.196 0.000 1.179 262 P CA 0.330 63.488 63.100 0.096 0.000 0.763 262 P CB 0.189 31.912 31.700 0.038 0.000 0.806 263 W N 6.733 128.009 121.300 -0.039 0.000 2.258 263 W HA 0.361 5.020 4.660 -0.001 0.000 0.287 263 W C -2.139 174.352 176.519 -0.046 0.000 1.024 263 W CA -1.707 55.614 57.345 -0.039 0.000 1.377 263 W CB 0.408 29.856 29.460 -0.021 0.000 1.351 263 W HN 0.359 nan 8.180 nan 0.000 0.334 264 P HA -0.046 nan 4.420 nan 0.000 0.220 264 P C -0.208 176.862 177.300 -0.382 0.000 1.148 264 P CA 1.492 64.463 63.100 -0.216 0.000 0.803 264 P CB 0.479 32.083 31.700 -0.160 0.000 0.782 265 D N -1.662 118.412 120.400 -0.544 0.000 2.934 265 D HA 0.104 4.744 4.640 -0.001 0.000 0.230 265 D C 0.616 176.387 176.300 -0.882 0.000 1.204 265 D CA -0.728 52.921 54.000 -0.585 0.000 0.873 265 D CB 1.830 42.422 40.800 -0.346 0.000 1.645 265 D HN -0.289 nan 8.370 nan 0.000 0.502 266 R N 2.174 122.160 120.500 -0.857 0.000 2.139 266 R HA -0.155 4.184 4.340 -0.001 0.000 0.243 266 R C 1.004 177.283 176.300 -0.035 0.000 1.145 266 R CA 1.736 57.510 56.100 -0.544 0.000 0.976 266 R CB 0.179 30.370 30.300 -0.181 0.000 0.866 266 R HN 0.516 nan 8.270 nan 0.000 0.449 267 E N -0.157 119.913 120.200 -0.217 0.000 2.482 267 E HA -0.060 4.290 4.350 -0.001 0.000 0.196 267 E C 0.366 176.926 176.600 -0.067 0.000 1.047 267 E CA -0.082 56.130 56.400 -0.312 0.000 0.869 267 E CB 0.229 29.430 29.700 -0.832 0.000 0.836 267 E HN 0.179 nan 8.360 nan 0.000 0.520 268 L N 2.379 123.599 121.223 -0.006 0.000 2.990 268 L HA 0.212 4.552 4.340 -0.001 0.000 0.231 268 L C -0.167 176.886 176.870 0.304 0.000 1.341 268 L CA -0.082 54.822 54.840 0.107 0.000 1.208 268 L CB 0.120 42.148 42.059 -0.052 0.000 1.571 268 L HN -0.085 nan 8.230 nan 0.000 0.453 269 V N 1.685 121.812 119.914 0.355 0.000 2.686 269 V HA 0.513 4.633 4.120 -0.001 0.000 0.295 269 V C 0.254 176.440 176.094 0.152 0.000 1.055 269 V CA 0.195 62.679 62.300 0.307 0.000 1.050 269 V CB 1.563 33.536 31.823 0.250 0.000 0.984 269 V HN 0.847 nan 8.190 nan 0.000 0.482 270 S N 5.195 120.938 115.700 0.073 0.000 2.587 270 S HA 0.813 5.282 4.470 -0.001 0.000 0.269 270 S C -0.969 173.612 174.600 -0.031 0.000 1.154 270 S CA -0.194 58.006 58.200 0.001 0.000 0.824 270 S CB 1.565 64.744 63.200 -0.034 0.000 1.118 270 S HN 1.726 nan 8.310 nan 0.000 0.462 271 V N -3.258 116.613 119.914 -0.072 0.000 3.160 271 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 271 V C -3.284 172.682 176.094 -0.214 0.000 1.181 271 V CA -2.978 59.226 62.300 -0.160 0.000 1.047 271 V CB 0.973 32.697 31.823 -0.165 0.000 1.068 271 V HN 0.727 nan 8.190 nan 0.000 0.441 272 P HA 0.133 nan 4.420 nan 0.000 0.265 272 P C 0.204 177.438 177.300 -0.110 0.000 1.193 272 P CA 0.165 63.128 63.100 -0.229 0.000 0.765 272 P CB 0.186 31.691 31.700 -0.324 0.000 0.823 273 F N 3.171 123.028 119.950 -0.156 0.000 2.161 273 F HA -0.224 4.302 4.527 -0.001 0.000 0.300 273 F C 1.699 177.435 175.800 -0.106 0.000 1.089 273 F CA 1.854 59.779 58.000 -0.124 0.000 1.282 273 F CB -0.352 38.582 39.000 -0.110 0.000 1.010 273 F HN 0.293 nan 8.300 nan 0.000 0.485 274 Q N 0.750 120.451 119.800 -0.165 0.000 2.472 274 Q HA 0.024 4.364 4.340 -0.001 0.000 0.208 274 Q C 1.205 177.084 176.000 -0.201 0.000 0.958 274 Q CA 0.676 56.337 55.803 -0.236 0.000 0.932 274 Q CB -0.839 27.845 28.738 -0.090 0.000 1.007 274 Q HN 0.509 nan 8.270 nan 0.000 0.508 275 S N 0.030 115.596 115.700 -0.222 0.000 2.596 275 S HA 0.006 4.475 4.470 -0.001 0.000 0.260 275 S C 1.160 175.702 174.600 -0.096 0.000 1.336 275 S CA -0.315 57.771 58.200 -0.190 0.000 0.993 275 S CB 1.503 64.441 63.200 -0.437 0.000 0.923 275 S HN 0.319 nan 8.310 nan 0.000 0.567 276 E N 0.772 120.976 120.200 0.007 0.000 2.051 276 E HA -0.240 4.110 4.350 -0.001 0.000 0.192 276 E C 1.554 178.190 176.600 0.060 0.000 0.991 276 E CA 1.685 58.107 56.400 0.036 0.000 0.799 276 E CB -0.290 29.458 29.700 0.080 0.000 0.748 276 E HN 0.820 nan 8.360 nan 0.000 0.449 277 E N 0.011 120.276 120.200 0.108 0.000 2.072 277 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 277 E C 1.950 178.624 176.600 0.123 0.000 0.985 277 E CA 1.143 57.644 56.400 0.168 0.000 0.801 277 E CB -0.511 29.312 29.700 0.205 0.000 0.750 277 E HN 0.451 nan 8.360 nan 0.000 0.452 278 G N 0.693 109.505 108.800 0.021 0.000 2.421 278 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.216 278 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.216 278 G C 1.514 176.398 174.900 -0.026 0.000 1.171 278 G CA 0.536 45.646 45.100 0.017 0.000 0.775 278 G HN 0.094 nan 8.290 nan 0.000 0.543 279 Q N -0.015 119.705 119.800 -0.133 0.000 2.119 279 Q HA 0.050 4.389 4.340 -0.001 0.000 0.201 279 Q C 2.655 178.627 176.000 -0.047 0.000 0.972 279 Q CA 0.741 56.459 55.803 -0.142 0.000 0.847 279 Q CB -0.270 28.365 28.738 -0.170 0.000 0.903 279 Q HN 0.461 nan 8.270 nan 0.000 0.433 280 R N -0.416 120.072 120.500 -0.020 0.000 2.073 280 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 280 R C 2.259 178.396 176.300 -0.272 0.000 1.134 280 R CA 1.407 57.490 56.100 -0.029 0.000 0.952 280 R CB -0.359 30.032 30.300 0.151 0.000 0.850 280 R HN 0.229 nan 8.270 nan 0.000 0.433 281 Y N 0.385 120.363 120.300 -0.536 0.000 2.128 281 Y HA -0.278 4.272 4.550 -0.001 0.000 0.284 281 Y C 1.815 177.507 175.900 -0.347 0.000 1.154 281 Y CA 1.607 59.136 58.100 -0.952 0.000 1.149 281 Y CB -0.726 37.386 38.460 -0.580 0.000 0.976 281 Y HN 0.076 nan 8.280 nan 0.000 0.505 282 F N 0.595 120.201 119.950 -0.572 0.000 2.126 282 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 282 F C 2.712 178.275 175.800 -0.395 0.000 1.096 282 F CA 1.673 59.388 58.000 -0.475 0.000 1.255 282 F CB -0.325 38.610 39.000 -0.107 0.000 0.997 282 F HN 0.267 nan 8.300 nan 0.000 0.479 283 S N 0.214 115.720 115.700 -0.323 0.000 2.423 283 S HA -0.073 4.396 4.470 -0.001 0.000 0.231 283 S C 1.986 176.393 174.600 -0.322 0.000 1.014 283 S CA 0.622 58.624 58.200 -0.329 0.000 0.965 283 S CB -0.601 62.494 63.200 -0.175 0.000 0.785 283 S HN 0.382 nan 8.310 nan 0.000 0.495 284 A N 1.832 124.431 122.820 -0.368 0.000 1.970 284 A HA 0.270 4.590 4.320 -0.001 0.000 0.216 284 A C 2.222 179.607 177.584 -0.332 0.000 1.170 284 A CA 1.121 52.990 52.037 -0.280 0.000 0.645 284 A CB -0.650 18.220 19.000 -0.217 0.000 0.816 284 A HN 0.576 nan 8.150 nan 0.000 0.447 285 M N -0.127 119.147 119.600 -0.544 0.000 2.117 285 M HA -0.172 4.307 4.480 -0.001 0.000 0.262 285 M C 1.820 177.913 176.300 -0.345 0.000 1.065 285 M CA 1.896 56.908 55.300 -0.481 0.000 1.114 285 M CB -0.332 31.864 32.600 -0.673 0.000 1.361 285 M HN 0.365 nan 8.290 nan 0.000 0.408 286 K N 0.201 120.354 120.400 -0.412 0.000 2.097 286 K HA -0.108 4.211 4.320 -0.001 0.000 0.206 286 K C 2.022 178.528 176.600 -0.156 0.000 1.049 286 K CA 1.479 57.587 56.287 -0.299 0.000 0.933 286 K CB -0.301 31.967 32.500 -0.387 0.000 0.717 286 K HN 0.450 nan 8.250 nan 0.000 0.442 287 A N 1.532 124.254 122.820 -0.164 0.000 1.902 287 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 287 A C 2.380 179.922 177.584 -0.070 0.000 1.181 287 A CA 1.819 53.799 52.037 -0.095 0.000 0.623 287 A CB -0.668 18.267 19.000 -0.108 0.000 0.818 287 A HN 0.330 nan 8.150 nan 0.000 0.443 288 A N -0.163 122.587 122.820 -0.116 0.000 1.898 288 A HA 0.191 4.511 4.320 -0.001 0.000 0.216 288 A C 2.500 180.034 177.584 -0.083 0.000 1.181 288 A CA 1.994 53.976 52.037 -0.091 0.000 0.620 288 A CB -0.997 17.938 19.000 -0.109 0.000 0.819 288 A HN 1.034 nan 8.150 nan 0.000 0.442 289 A N 0.487 123.204 122.820 -0.172 0.000 1.902 289 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 289 A C 1.885 179.332 177.584 -0.227 0.000 1.181 289 A CA 1.844 53.663 52.037 -0.363 0.000 0.623 289 A CB -0.646 18.126 19.000 -0.380 0.000 0.818 289 A HN 0.544 nan 8.150 nan 0.000 0.443 290 N N -1.091 117.662 118.700 0.088 0.000 2.223 290 N HA -0.118 4.622 4.740 -0.001 0.000 0.185 290 N C 1.362 176.976 175.510 0.174 0.000 1.016 290 N CA 1.274 54.486 53.050 0.269 0.000 0.863 290 N CB -0.588 38.010 38.487 0.186 0.000 0.983 290 N HN 0.536 nan 8.380 nan 0.000 0.429 291 F N 1.769 121.673 119.950 -0.076 0.000 2.102 291 F HA -0.061 4.465 4.527 -0.001 0.000 0.298 291 F C 2.217 177.939 175.800 -0.130 0.000 1.105 291 F CA 1.232 59.160 58.000 -0.120 0.000 1.239 291 F CB -0.413 38.506 39.000 -0.135 0.000 0.991 291 F HN 0.032 nan 8.300 nan 0.000 0.474 292 A N -0.157 122.622 122.820 -0.069 0.000 1.933 292 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 292 A C 2.176 179.616 177.584 -0.240 0.000 1.175 292 A CA 1.447 53.339 52.037 -0.243 0.000 0.628 292 A CB -1.469 17.329 19.000 -0.335 0.000 0.814 292 A HN 0.631 nan 8.150 nan 0.000 0.444 293 W N -0.293 120.931 121.300 -0.127 0.000 2.388 293 W HA -0.051 4.609 4.660 -0.000 0.000 0.294 293 W C 2.782 179.204 176.519 -0.162 0.000 1.212 293 W CA 1.030 58.293 57.345 -0.137 0.000 1.271 293 W CB -0.935 28.463 29.460 -0.103 0.000 1.126 293 W HN 0.467 nan 8.180 nan 0.000 0.535 294 A N 0.365 123.219 122.820 0.055 0.000 1.902 294 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 294 A C 1.884 179.344 177.584 -0.207 0.000 1.181 294 A CA 2.126 54.143 52.037 -0.032 0.000 0.623 294 A CB -1.128 17.841 19.000 -0.050 0.000 0.818 294 A HN 0.334 nan 8.150 nan 0.000 0.443 295 N N -0.375 118.133 118.700 -0.320 0.000 2.069 295 N HA -0.178 4.562 4.740 -0.001 0.000 0.191 295 N C 1.842 177.180 175.510 -0.287 0.000 1.031 295 N CA 1.892 54.722 53.050 -0.367 0.000 0.852 295 N CB -0.300 37.946 38.487 -0.401 0.000 1.018 295 N HN 0.455 nan 8.380 nan 0.000 0.423 296 R N -0.565 119.813 120.500 -0.204 0.000 2.152 296 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 296 R C 2.011 178.207 176.300 -0.174 0.000 1.117 296 R CA 1.154 57.160 56.100 -0.157 0.000 0.981 296 R CB -0.151 30.098 30.300 -0.086 0.000 0.870 296 R HN 0.322 nan 8.270 nan 0.000 0.451 297 Q N 0.154 119.848 119.800 -0.175 0.000 2.123 297 Q HA -0.049 4.290 4.340 -0.001 0.000 0.199 297 Q C 1.755 177.556 176.000 -0.331 0.000 0.966 297 Q CA 1.579 57.264 55.803 -0.196 0.000 0.845 297 Q CB 0.082 28.741 28.738 -0.130 0.000 0.907 297 Q HN 0.275 nan 8.270 nan 0.000 0.439 298 M N -0.714 118.559 119.600 -0.545 0.000 2.099 298 M HA -0.105 4.374 4.480 -0.001 0.000 0.262 298 M C 1.962 177.634 176.300 -1.046 0.000 1.067 298 M CA 1.360 56.053 55.300 -1.011 0.000 1.124 298 M CB -0.266 31.541 32.600 -1.323 0.000 1.353 298 M HN 0.214 nan 8.290 nan 0.000 0.410 299 I N -0.285 119.905 120.570 -0.633 0.000 2.264 299 I HA -0.288 3.882 4.170 -0.001 0.000 0.248 299 I C 2.266 178.302 176.117 -0.135 0.000 1.111 299 I CA 1.316 62.468 61.300 -0.246 0.000 1.382 299 I CB -0.702 37.258 38.000 -0.066 0.000 1.060 299 I HN 0.338 nan 8.210 nan 0.000 0.418 300 T N -1.056 113.388 114.554 -0.183 0.000 2.720 300 T HA -0.279 4.071 4.350 -0.001 0.000 0.268 300 T C 1.862 176.476 174.700 -0.143 0.000 1.037 300 T CA 1.818 63.828 62.100 -0.151 0.000 1.144 300 T CB -0.426 68.320 68.868 -0.202 0.000 0.864 300 T HN 0.427 nan 8.240 nan 0.000 0.444 301 H N -0.250 118.649 119.070 -0.284 0.000 2.353 301 H HA -0.089 4.467 4.556 -0.001 0.000 0.300 301 H C 1.864 177.198 175.328 0.010 0.000 1.090 301 H CA 1.730 57.658 56.048 -0.201 0.000 1.327 301 H CB -0.205 29.439 29.762 -0.197 0.000 1.383 301 H HN 0.375 nan 8.280 nan 0.000 0.508 302 W N -0.100 121.264 121.300 0.106 0.000 2.436 302 W HA -0.046 4.614 4.660 -0.001 0.000 0.284 302 W C 2.375 178.930 176.519 0.060 0.000 1.225 302 W CA 0.773 58.155 57.345 0.063 0.000 1.271 302 W CB -1.094 28.430 29.460 0.106 0.000 1.114 302 W HN 0.118 nan 8.180 nan 0.000 0.559 303 V N 1.001 121.068 119.914 0.256 0.000 2.295 303 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 303 V C 2.486 178.734 176.094 0.256 0.000 1.049 303 V CA 2.026 64.479 62.300 0.255 0.000 1.024 303 V CB -0.736 31.171 31.823 0.140 0.000 0.648 303 V HN 0.069 nan 8.190 nan 0.000 0.447 304 R N -0.171 120.372 120.500 0.071 0.000 2.073 304 R HA -0.180 4.160 4.340 -0.001 0.000 0.234 304 R C 2.310 178.696 176.300 0.143 0.000 1.134 304 R CA 1.825 57.957 56.100 0.054 0.000 0.952 304 R CB -0.378 29.878 30.300 -0.073 0.000 0.850 304 R HN 0.618 nan 8.270 nan 0.000 0.433 305 E N 0.183 120.420 120.200 0.062 0.000 2.118 305 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 305 E C 2.060 178.758 176.600 0.163 0.000 0.992 305 E CA 1.470 57.922 56.400 0.086 0.000 0.804 305 E CB -0.013 29.727 29.700 0.066 0.000 0.741 305 E HN 0.237 nan 8.360 nan 0.000 0.458 306 S N 0.479 116.311 115.700 0.219 0.000 2.368 306 S HA -0.114 4.355 4.470 -0.001 0.000 0.225 306 S C 1.646 176.372 174.600 0.210 0.000 1.030 306 S CA 0.912 59.226 58.200 0.190 0.000 0.999 306 S CB -0.249 63.076 63.200 0.208 0.000 0.844 306 S HN 0.179 nan 8.310 nan 0.000 0.459 307 F N 1.770 121.825 119.950 0.175 0.000 2.186 307 F HA -0.055 4.472 4.527 -0.001 0.000 0.299 307 F C 2.662 178.637 175.800 0.292 0.000 1.090 307 F CA 1.037 59.224 58.000 0.310 0.000 1.307 307 F CB -0.601 38.567 39.000 0.280 0.000 1.019 307 F HN 0.208 nan 8.300 nan 0.000 0.489 308 Q N 0.473 120.486 119.800 0.355 0.000 2.084 308 Q HA -0.222 4.118 4.340 -0.001 0.000 0.202 308 Q C 2.007 178.102 176.000 0.157 0.000 0.978 308 Q CA 2.007 57.953 55.803 0.239 0.000 0.844 308 Q CB -0.133 28.708 28.738 0.171 0.000 0.898 308 Q HN 0.461 nan 8.270 nan 0.000 0.426 309 E N -0.671 119.593 120.200 0.106 0.000 2.077 309 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 309 E C 2.056 178.634 176.600 -0.036 0.000 0.989 309 E CA 1.508 57.929 56.400 0.034 0.000 0.800 309 E CB 0.108 29.819 29.700 0.017 0.000 0.746 309 E HN 0.224 nan 8.360 nan 0.000 0.452 310 V N 0.170 120.018 119.914 -0.109 0.000 2.323 310 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 310 V C 1.700 177.528 176.094 -0.443 0.000 1.041 310 V CA 1.594 63.680 62.300 -0.358 0.000 1.025 310 V CB -0.334 31.119 31.823 -0.617 0.000 0.656 310 V HN 0.192 nan 8.190 nan 0.000 0.451 311 F N -0.601 119.357 119.950 0.014 0.000 2.754 311 F HA 0.259 4.786 4.527 -0.001 0.000 0.297 311 F C 1.146 176.976 175.800 0.051 0.000 1.122 311 F CA -0.146 57.878 58.000 0.041 0.000 1.400 311 F CB -0.078 38.974 39.000 0.087 0.000 1.117 311 F HN -0.033 nan 8.300 nan 0.000 0.587 312 K N 1.473 121.981 120.400 0.179 0.000 3.150 312 K HA -0.218 4.101 4.320 -0.001 0.000 0.267 312 K C -0.718 175.970 176.600 0.146 0.000 1.028 312 K CA 0.444 56.809 56.287 0.129 0.000 0.753 312 K CB -1.688 30.860 32.500 0.081 0.000 1.288 312 K HN 0.438 nan 8.250 nan 0.000 0.473 313 Q N -0.477 119.432 119.800 0.182 0.000 2.421 313 Q HA 0.265 4.605 4.340 -0.001 0.000 0.280 313 Q C -1.087 174.998 176.000 0.142 0.000 1.085 313 Q CA -1.165 54.725 55.803 0.146 0.000 0.807 313 Q CB 1.984 30.812 28.738 0.150 0.000 1.405 313 Q HN 0.153 nan 8.270 nan 0.000 0.419 314 D N 1.819 122.281 120.400 0.104 0.000 2.358 314 D HA 0.087 4.726 4.640 -0.001 0.000 0.258 314 D C -1.825 174.548 176.300 0.123 0.000 1.223 314 D CA -1.726 52.333 54.000 0.099 0.000 0.886 314 D CB 1.366 42.199 40.800 0.055 0.000 1.120 314 D HN 0.159 nan 8.370 nan 0.000 0.482 315 P HA -0.154 nan 4.420 nan 0.000 0.217 315 P C 0.930 178.390 177.300 0.266 0.000 1.148 315 P CA 1.121 64.355 63.100 0.224 0.000 0.828 315 P CB 0.456 32.318 31.700 0.269 0.000 0.783 316 E N -0.966 119.340 120.200 0.177 0.000 2.021 316 E HA -0.034 4.316 4.350 -0.001 0.000 0.191 316 E C 2.263 178.820 176.600 -0.071 0.000 0.971 316 E CA 1.047 57.403 56.400 -0.073 0.000 0.825 316 E CB -0.982 28.414 29.700 -0.507 0.000 0.788 316 E HN 0.047 nan 8.360 nan 0.000 0.460 317 G N 0.465 109.219 108.800 -0.077 0.000 2.402 317 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 317 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 317 G C 1.172 176.068 174.900 -0.007 0.000 1.162 317 G CA 1.137 46.206 45.100 -0.051 0.000 0.777 317 G HN 0.257 nan 8.290 nan 0.000 0.539 318 D N 0.342 120.754 120.400 0.020 0.000 2.149 318 D HA 0.036 4.676 4.640 -0.001 0.000 0.206 318 D C 2.494 178.818 176.300 0.040 0.000 0.967 318 D CA 0.480 54.500 54.000 0.033 0.000 0.848 318 D CB -0.051 40.779 40.800 0.051 0.000 0.998 318 D HN 0.285 nan 8.370 nan 0.000 0.474 319 L N 0.127 121.384 121.223 0.058 0.000 2.567 319 L HA 0.231 4.571 4.340 -0.001 0.000 0.225 319 L C 1.124 178.028 176.870 0.057 0.000 1.119 319 L CA 0.089 54.957 54.840 0.047 0.000 0.871 319 L CB -0.124 41.966 42.059 0.052 0.000 1.036 319 L HN 0.019 nan 8.230 nan 0.000 0.459 320 G N 1.421 110.269 108.800 0.080 0.000 2.395 320 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.300 320 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.300 320 G C 0.462 175.449 174.900 0.146 0.000 0.998 320 G CA 0.188 45.351 45.100 0.105 0.000 1.046 320 G HN 0.384 nan 8.290 nan 0.000 0.513 321 M N 0.932 120.655 119.600 0.204 0.000 3.700 321 M HA 0.113 4.592 4.480 -0.001 0.000 0.190 321 M C 0.216 176.613 176.300 0.163 0.000 1.422 321 M CA 0.063 55.432 55.300 0.116 0.000 1.646 321 M CB -0.176 32.424 32.600 -0.001 0.000 1.154 321 M HN 0.141 nan 8.290 nan 0.000 0.506 322 D N 1.064 121.605 120.400 0.234 0.000 2.344 322 D HA 0.291 4.930 4.640 -0.001 0.000 0.244 322 D C 0.075 176.426 176.300 0.084 0.000 1.134 322 D CA 0.009 54.153 54.000 0.241 0.000 0.930 322 D CB 1.579 42.530 40.800 0.252 0.000 1.175 322 D HN 0.283 nan 8.370 nan 0.000 0.437 323 I N 1.636 122.240 120.570 0.057 0.000 2.441 323 I HA -0.058 4.112 4.170 -0.001 0.000 0.287 323 I C 1.619 177.810 176.117 0.124 0.000 1.049 323 I CA -0.466 60.855 61.300 0.036 0.000 1.381 323 I CB 1.418 39.416 38.000 -0.003 0.000 1.409 323 I HN 0.166 nan 8.210 nan 0.000 0.523 324 V N 6.686 126.666 119.914 0.109 0.000 2.273 324 V HA -0.085 4.035 4.120 -0.001 0.000 0.242 324 V C -0.026 176.202 176.094 0.224 0.000 1.035 324 V CA 1.319 63.701 62.300 0.135 0.000 1.013 324 V CB -0.298 31.531 31.823 0.011 0.000 0.652 324 V HN 0.686 nan 8.190 nan 0.000 0.452 325 Y N -1.255 119.022 120.300 -0.038 0.000 2.741 325 Y HA 0.506 5.055 4.550 -0.001 0.000 0.339 325 Y C -1.954 173.947 175.900 0.001 0.000 1.226 325 Y CA -1.944 56.142 58.100 -0.023 0.000 1.072 325 Y CB 1.658 40.039 38.460 -0.131 0.000 1.331 325 Y HN 0.100 nan 8.280 nan 0.000 0.453 326 D N 2.258 122.347 120.400 -0.517 0.000 2.736 326 D HA 0.534 5.174 4.640 -0.001 0.000 0.243 326 D C -1.811 174.296 176.300 -0.322 0.000 1.304 326 D CA -0.134 53.710 54.000 -0.261 0.000 0.934 326 D CB 1.634 42.354 40.800 -0.134 0.000 1.382 326 D HN 0.531 nan 8.370 nan 0.000 0.571 327 V N 0.430 120.333 119.914 -0.018 0.000 2.823 327 V HA 0.975 5.094 4.120 -0.001 0.000 0.312 327 V C 0.083 176.296 176.094 0.198 0.000 1.072 327 V CA -1.048 61.319 62.300 0.111 0.000 0.937 327 V CB 1.247 33.204 31.823 0.224 0.000 1.013 327 V HN 0.665 nan 8.190 nan 0.000 0.430 328 A N 1.014 123.942 122.820 0.179 0.000 2.293 328 A HA 0.779 5.099 4.320 -0.001 0.000 0.302 328 A C 0.070 177.793 177.584 0.231 0.000 1.119 328 A CA -0.339 51.751 52.037 0.089 0.000 0.823 328 A CB 0.438 19.398 19.000 -0.067 0.000 1.097 328 A HN 1.081 nan 8.150 nan 0.000 0.491 329 H N -0.069 118.928 119.070 -0.122 0.000 2.986 329 H HA 0.266 4.822 4.556 -0.001 0.000 0.267 329 H C -0.729 174.529 175.328 -0.116 0.000 1.072 329 H CA -0.123 55.839 56.048 -0.144 0.000 1.202 329 H CB 0.553 30.119 29.762 -0.326 0.000 1.535 329 H HN 0.518 nan 8.280 nan 0.000 0.522 330 N N 0.994 119.697 118.700 0.004 0.000 2.609 330 N HA 0.386 5.125 4.740 -0.001 0.000 0.268 330 N C -1.254 174.225 175.510 -0.053 0.000 1.106 330 N CA -0.117 52.922 53.050 -0.018 0.000 0.823 330 N CB 1.782 40.263 38.487 -0.010 0.000 1.263 330 N HN 0.205 nan 8.380 nan 0.000 0.533 331 I N -0.524 120.021 120.570 -0.041 0.000 3.021 331 I HA 0.603 4.773 4.170 -0.001 0.000 0.305 331 I C -0.960 175.137 176.117 -0.033 0.000 1.434 331 I CA -0.740 60.531 61.300 -0.049 0.000 0.969 331 I CB 2.182 40.148 38.000 -0.055 0.000 1.328 331 I HN 0.389 nan 8.210 nan 0.000 0.486 332 G N 3.959 112.754 108.800 -0.008 0.000 2.452 332 G HA2 0.746 4.706 3.960 -0.001 0.000 0.324 332 G HA3 0.746 4.706 3.960 -0.001 0.000 0.324 332 G C -1.697 173.283 174.900 0.133 0.000 1.214 332 G CA -0.416 44.663 45.100 -0.036 0.000 0.947 332 G HN 0.360 nan 8.290 nan 0.000 0.478 333 K N 1.129 121.567 120.400 0.064 0.000 2.498 333 K HA 0.415 4.734 4.320 -0.001 0.000 0.254 333 K C -1.198 175.438 176.600 0.060 0.000 0.933 333 K CA -0.840 55.539 56.287 0.154 0.000 0.806 333 K CB 2.578 35.147 32.500 0.115 0.000 1.301 333 K HN 0.275 nan 8.250 nan 0.000 0.432 334 V N 2.690 122.686 119.914 0.137 0.000 2.406 334 V HA 0.257 4.376 4.120 -0.001 0.000 0.272 334 V C -0.048 176.121 176.094 0.125 0.000 1.043 334 V CA -0.172 62.156 62.300 0.046 0.000 0.915 334 V CB 0.712 32.612 31.823 0.128 0.000 0.988 334 V HN 0.633 nan 8.190 nan 0.000 0.466 335 E N 3.037 123.312 120.200 0.124 0.000 2.393 335 E HA 0.462 4.812 4.350 -0.001 0.000 0.273 335 E C -0.990 175.645 176.600 0.059 0.000 0.918 335 E CA -0.849 55.644 56.400 0.154 0.000 0.773 335 E CB 2.826 32.711 29.700 0.309 0.000 1.275 335 E HN 0.717 nan 8.360 nan 0.000 0.451 336 E N 2.047 122.204 120.200 -0.071 0.000 2.197 336 E HA 0.215 4.564 4.350 -0.001 0.000 0.281 336 E C -1.005 175.400 176.600 -0.325 0.000 0.995 336 E CA -0.328 56.008 56.400 -0.107 0.000 0.808 336 E CB 0.707 30.361 29.700 -0.077 0.000 1.093 336 E HN 0.412 nan 8.360 nan 0.000 0.394 337 H N 2.526 121.607 119.070 0.019 0.000 2.949 337 H HA 0.333 4.888 4.556 -0.001 0.000 0.356 337 H C -0.873 174.425 175.328 -0.049 0.000 1.212 337 H CA -0.773 55.288 56.048 0.021 0.000 1.136 337 H CB 1.811 31.672 29.762 0.164 0.000 1.869 337 H HN 0.568 nan 8.280 nan 0.000 0.556 338 E N 1.251 121.500 120.200 0.082 0.000 2.158 338 E HA 0.450 4.799 4.350 -0.001 0.000 0.271 338 E C -1.074 175.493 176.600 -0.055 0.000 0.911 338 E CA -0.688 55.703 56.400 -0.017 0.000 0.767 338 E CB 2.426 32.110 29.700 -0.027 0.000 1.120 338 E HN 0.093 nan 8.360 nan 0.000 0.405 339 V N 3.439 123.294 119.914 -0.097 0.000 2.531 339 V HA 0.130 4.250 4.120 -0.001 0.000 0.301 339 V C -0.432 175.631 176.094 -0.051 0.000 1.034 339 V CA -0.832 61.408 62.300 -0.101 0.000 0.865 339 V CB 1.753 33.467 31.823 -0.181 0.000 0.995 339 V HN 0.781 nan 8.190 nan 0.000 0.424 340 D N 3.962 124.344 120.400 -0.030 0.000 2.723 340 D HA -0.184 4.455 4.640 -0.001 0.000 0.236 340 D C 1.355 177.648 176.300 -0.011 0.000 1.138 340 D CA 1.712 55.707 54.000 -0.008 0.000 0.676 340 D CB -1.079 39.732 40.800 0.017 0.000 1.069 340 D HN 1.490 nan 8.370 nan 0.000 0.430 341 G N -0.685 108.102 108.800 -0.022 0.000 2.196 341 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.268 341 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.268 341 G C 0.305 175.192 174.900 -0.020 0.000 0.975 341 G CA 1.110 46.199 45.100 -0.019 0.000 0.648 341 G HN 0.517 nan 8.290 nan 0.000 0.538 342 K N -0.172 120.212 120.400 -0.026 0.000 2.259 342 K HA 0.568 4.888 4.320 -0.001 0.000 0.252 342 K C 0.361 176.934 176.600 -0.046 0.000 0.936 342 K CA -0.945 55.326 56.287 -0.026 0.000 0.810 342 K CB 1.500 33.995 32.500 -0.010 0.000 1.143 342 K HN 0.166 nan 8.250 nan 0.000 0.427 343 R N 1.434 121.912 120.500 -0.036 0.000 2.347 343 R HA 0.196 4.536 4.340 -0.001 0.000 0.304 343 R C -0.128 176.143 176.300 -0.049 0.000 1.072 343 R CA -0.404 55.671 56.100 -0.042 0.000 0.980 343 R CB 0.492 30.772 30.300 -0.033 0.000 0.986 343 R HN 0.417 nan 8.270 nan 0.000 0.448 344 V N -0.567 119.301 119.914 -0.077 0.000 3.001 344 V HA 0.561 4.680 4.120 -0.001 0.000 0.314 344 V C -0.702 175.376 176.094 -0.028 0.000 1.099 344 V CA -1.106 61.138 62.300 -0.094 0.000 0.989 344 V CB 2.130 33.730 31.823 -0.373 0.000 1.040 344 V HN 0.657 nan 8.190 nan 0.000 0.434 345 K N 2.123 122.538 120.400 0.024 0.000 2.307 345 K HA 0.772 5.092 4.320 -0.001 0.000 0.263 345 K C -1.003 175.632 176.600 0.059 0.000 0.973 345 K CA -0.550 55.765 56.287 0.048 0.000 0.846 345 K CB 1.789 34.327 32.500 0.063 0.000 1.100 345 K HN 1.059 nan 8.250 nan 0.000 0.438 346 V N 1.498 121.435 119.914 0.039 0.000 2.962 346 V HA 0.564 4.684 4.120 -0.001 0.000 0.313 346 V C -0.679 175.334 176.094 -0.136 0.000 1.099 346 V CA -1.265 61.029 62.300 -0.010 0.000 0.971 346 V CB 1.606 33.416 31.823 -0.022 0.000 1.028 346 V HN 0.730 nan 8.190 nan 0.000 0.430 347 I N 3.293 123.704 120.570 -0.265 0.000 2.291 347 I HA 0.541 4.710 4.170 -0.001 0.000 0.290 347 I C -0.278 175.779 176.117 -0.100 0.000 1.050 347 I CA -0.176 60.855 61.300 -0.449 0.000 1.245 347 I CB 0.816 38.207 38.000 -1.015 0.000 1.405 347 I HN 0.530 nan 8.210 nan 0.000 0.478 348 V N 8.224 128.085 119.914 -0.088 0.000 2.406 348 V HA 0.242 4.362 4.120 -0.001 0.000 0.272 348 V C -0.331 175.774 176.094 0.019 0.000 1.043 348 V CA -0.497 61.796 62.300 -0.012 0.000 0.915 348 V CB 0.369 32.199 31.823 0.012 0.000 0.988 348 V HN 0.576 nan 8.190 nan 0.000 0.466 349 H N 4.431 123.488 119.070 -0.022 0.000 2.594 349 H HA 0.536 5.091 4.556 -0.001 0.000 0.304 349 H C 0.119 175.443 175.328 -0.007 0.000 1.068 349 H CA -0.239 55.801 56.048 -0.012 0.000 1.308 349 H CB 0.456 30.210 29.762 -0.013 0.000 1.409 349 H HN 0.464 nan 8.280 nan 0.000 0.460 350 R N 3.040 123.578 120.500 0.062 0.000 2.320 350 R HA 0.268 4.608 4.340 -0.001 0.000 0.319 350 R C -0.440 175.876 176.300 0.026 0.000 0.969 350 R CA -0.618 55.512 56.100 0.049 0.000 0.857 350 R CB 1.469 31.780 30.300 0.019 0.000 1.160 350 R HN 0.396 nan 8.270 nan 0.000 0.491 351 K N 1.449 121.877 120.400 0.046 0.000 2.367 351 K HA 0.211 4.531 4.320 -0.001 0.000 0.263 351 K C 0.257 176.895 176.600 0.063 0.000 1.000 351 K CA -0.041 56.269 56.287 0.038 0.000 0.891 351 K CB 1.406 33.928 32.500 0.037 0.000 1.117 351 K HN 0.825 nan 8.250 nan 0.000 0.443 352 G N 2.468 111.302 108.800 0.057 0.000 2.273 352 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.280 352 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.280 352 G C -0.245 174.722 174.900 0.111 0.000 1.047 352 G CA 0.527 45.687 45.100 0.099 0.000 0.869 352 G HN 0.802 nan 8.290 nan 0.000 0.502 353 A N -1.396 121.432 122.820 0.014 0.000 2.587 353 A HA 0.965 5.285 4.320 -0.001 0.000 0.293 353 A C -0.111 177.373 177.584 -0.167 0.000 1.087 353 A CA 0.259 52.281 52.037 -0.024 0.000 0.692 353 A CB 1.511 20.531 19.000 0.033 0.000 1.291 353 A HN 0.889 nan 8.150 nan 0.000 0.407 354 T N 0.678 115.109 114.554 -0.205 0.000 2.887 354 T HA 0.540 4.890 4.350 -0.001 0.000 0.288 354 T C 0.127 174.761 174.700 -0.110 0.000 1.021 354 T CA -0.594 61.350 62.100 -0.259 0.000 1.000 354 T CB 1.421 70.065 68.868 -0.374 0.000 1.034 354 T HN 0.717 nan 8.240 nan 0.000 0.467 355 R N 0.973 121.411 120.500 -0.103 0.000 2.643 355 R HA 0.511 4.851 4.340 -0.001 0.000 0.270 355 R C -0.401 175.859 176.300 -0.066 0.000 1.061 355 R CA -0.107 55.917 56.100 -0.125 0.000 1.107 355 R CB 0.231 30.347 30.300 -0.307 0.000 0.999 355 R HN 0.782 nan 8.270 nan 0.000 0.460 356 A N 5.680 128.514 122.820 0.024 0.000 3.453 356 A HA 0.266 4.585 4.320 -0.001 0.000 0.262 356 A C -0.607 177.126 177.584 0.248 0.000 1.026 356 A CA -0.621 51.469 52.037 0.088 0.000 0.938 356 A CB 0.067 19.102 19.000 0.059 0.000 1.246 356 A HN 0.703 nan 8.150 nan 0.000 0.546 357 F N 2.148 122.086 119.950 -0.019 0.000 2.602 357 F HA 0.155 4.682 4.527 -0.001 0.000 0.367 357 F C -1.250 174.556 175.800 0.010 0.000 1.126 357 F CA -1.347 56.618 58.000 -0.057 0.000 1.321 357 F CB 0.987 39.837 39.000 -0.251 0.000 1.094 357 F HN 0.312 nan 8.300 nan 0.000 0.594 358 P HA 0.182 nan 4.420 nan 0.000 0.276 358 P C -2.754 174.623 177.300 0.130 0.000 1.261 358 P CA -1.811 61.359 63.100 0.118 0.000 0.800 358 P CB 0.296 32.036 31.700 0.068 0.000 1.066 359 P HA 0.051 nan 4.420 nan 0.000 0.266 359 P C 1.059 178.406 177.300 0.079 0.000 1.195 359 P CA 1.540 64.692 63.100 0.088 0.000 0.768 359 P CB -0.268 31.466 31.700 0.056 0.000 0.838 360 G N 0.802 109.651 108.800 0.082 0.000 2.234 360 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.260 360 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.260 360 G C 0.380 175.309 174.900 0.048 0.000 0.987 360 G CA -0.119 45.011 45.100 0.049 0.000 0.625 360 G HN 0.744 nan 8.290 nan 0.000 0.532 361 H N 2.014 121.090 119.070 0.011 0.000 2.886 361 H HA 0.244 4.799 4.556 -0.001 0.000 0.329 361 H C 1.760 177.116 175.328 0.046 0.000 1.044 361 H CA 0.795 56.837 56.048 -0.011 0.000 1.456 361 H CB 1.074 30.814 29.762 -0.037 0.000 1.464 361 H HN 0.438 nan 8.280 nan 0.000 0.573 362 E N 4.244 124.422 120.200 -0.037 0.000 2.333 362 E HA -0.119 4.230 4.350 -0.001 0.000 0.198 362 E C 1.016 177.779 176.600 0.272 0.000 1.007 362 E CA 0.985 57.438 56.400 0.089 0.000 0.845 362 E CB -0.079 29.605 29.700 -0.026 0.000 0.766 362 E HN 0.613 nan 8.360 nan 0.000 0.507 363 A N 1.039 124.233 122.820 0.623 0.000 2.238 363 A HA 0.187 4.507 4.320 -0.001 0.000 0.208 363 A C 0.981 178.747 177.584 0.303 0.000 1.177 363 A CA -0.006 52.283 52.037 0.420 0.000 0.804 363 A CB 0.126 19.407 19.000 0.468 0.000 0.823 363 A HN 0.085 nan 8.150 nan 0.000 0.482 364 V N 1.651 121.750 119.914 0.309 0.000 2.498 364 V HA 0.221 4.341 4.120 -0.001 0.000 0.279 364 V C -2.321 173.873 176.094 0.166 0.000 1.048 364 V CA -1.798 60.635 62.300 0.221 0.000 0.967 364 V CB 1.104 33.057 31.823 0.217 0.000 0.988 364 V HN 0.178 nan 8.190 nan 0.000 0.473 365 P HA 0.029 nan 4.420 nan 0.000 0.265 365 P C 0.868 178.159 177.300 -0.015 0.000 1.187 365 P CA 0.087 63.209 63.100 0.036 0.000 0.766 365 P CB 0.445 32.121 31.700 -0.041 0.000 0.820 366 R N 2.911 123.394 120.500 -0.029 0.000 2.113 366 R HA -0.200 4.140 4.340 -0.001 0.000 0.244 366 R C 1.595 177.861 176.300 -0.057 0.000 1.142 366 R CA 2.073 58.159 56.100 -0.023 0.000 0.953 366 R CB -0.909 29.377 30.300 -0.024 0.000 0.860 366 R HN 0.412 nan 8.270 nan 0.000 0.438 367 L N -1.682 119.435 121.223 -0.176 0.000 2.456 367 L HA -0.074 4.266 4.340 -0.001 0.000 0.224 367 L C 1.120 177.940 176.870 -0.083 0.000 1.148 367 L CA 1.266 55.993 54.840 -0.190 0.000 0.825 367 L CB -1.296 40.594 42.059 -0.282 0.000 0.937 367 L HN 0.182 nan 8.230 nan 0.000 0.450 368 Y N -1.269 119.084 120.300 0.089 0.000 2.445 368 Y HA 0.296 4.845 4.550 -0.001 0.000 0.247 368 Y C 2.482 178.441 175.900 0.098 0.000 1.129 368 Y CA -0.467 57.712 58.100 0.130 0.000 1.251 368 Y CB 0.133 38.661 38.460 0.113 0.000 1.176 368 Y HN 0.061 nan 8.280 nan 0.000 0.522 369 R N 1.198 121.808 120.500 0.184 0.000 2.117 369 R HA -0.193 4.147 4.340 -0.001 0.000 0.243 369 R C 0.990 177.362 176.300 0.120 0.000 1.143 369 R CA 2.241 58.427 56.100 0.144 0.000 0.968 369 R CB -0.076 30.281 30.300 0.096 0.000 0.863 369 R HN 0.244 nan 8.270 nan 0.000 0.444 370 D N -0.646 119.815 120.400 0.102 0.000 2.219 370 D HA -0.108 4.531 4.640 -0.001 0.000 0.205 370 D C 1.647 177.988 176.300 0.068 0.000 0.970 370 D CA 1.363 55.406 54.000 0.071 0.000 0.851 370 D CB 0.248 41.080 40.800 0.053 0.000 0.943 370 D HN 0.331 nan 8.370 nan 0.000 0.488 371 V N -3.821 116.148 119.914 0.092 0.000 3.644 371 V HA 0.546 4.665 4.120 -0.001 0.000 0.267 371 V C 0.947 177.084 176.094 0.072 0.000 1.277 371 V CA 0.467 62.794 62.300 0.045 0.000 1.096 371 V CB -0.047 31.753 31.823 -0.039 0.000 0.828 371 V HN 0.165 nan 8.190 nan 0.000 0.446 372 G N 0.235 109.117 108.800 0.137 0.000 2.587 372 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.686 372 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.686 372 G C -0.726 174.263 174.900 0.148 0.000 1.236 372 G CA -0.171 45.011 45.100 0.137 0.000 0.820 372 G HN 0.638 nan 8.290 nan 0.000 0.645 373 Q N 0.747 120.594 119.800 0.078 0.000 2.311 373 Q HA 0.333 4.673 4.340 -0.001 0.000 0.272 373 Q C -2.021 173.856 176.000 -0.206 0.000 1.012 373 Q CA -1.239 54.498 55.803 -0.110 0.000 0.891 373 Q CB 0.618 29.324 28.738 -0.054 0.000 1.201 373 Q HN 0.286 nan 8.270 nan 0.000 0.391 374 P HA 0.013 nan 4.420 nan 0.000 0.268 374 P C -1.288 175.910 177.300 -0.170 0.000 1.205 374 P CA -0.003 62.747 63.100 -0.584 0.000 0.771 374 P CB 0.756 31.812 31.700 -1.072 0.000 0.858 375 V N 4.978 124.883 119.914 -0.015 0.000 2.483 375 V HA 0.320 4.440 4.120 -0.001 0.000 0.297 375 V C -0.089 176.070 176.094 0.109 0.000 1.027 375 V CA -0.515 61.826 62.300 0.068 0.000 0.855 375 V CB 1.443 33.295 31.823 0.050 0.000 0.995 375 V HN 0.327 nan 8.190 nan 0.000 0.424 376 L N 5.777 127.100 121.223 0.166 0.000 2.272 376 L HA 0.583 4.922 4.340 -0.001 0.000 0.289 376 L C -0.696 176.314 176.870 0.235 0.000 1.032 376 L CA -0.533 54.414 54.840 0.179 0.000 0.810 376 L CB 1.522 43.675 42.059 0.157 0.000 1.205 376 L HN 0.389 nan 8.230 nan 0.000 0.422 377 I N 5.511 126.204 120.570 0.204 0.000 2.371 377 I HA 0.237 4.406 4.170 -0.001 0.000 0.282 377 I C -1.544 174.671 176.117 0.163 0.000 1.031 377 I CA -2.122 59.298 61.300 0.200 0.000 1.180 377 I CB 1.342 39.456 38.000 0.189 0.000 1.336 377 I HN 0.327 nan 8.210 nan 0.000 0.467 378 P HA -0.013 nan 4.420 nan 0.000 0.217 378 P C 0.901 178.300 177.300 0.165 0.000 1.150 378 P CA 1.155 64.319 63.100 0.106 0.000 0.832 378 P CB 0.573 32.167 31.700 -0.176 0.000 0.787 379 G N -0.365 108.470 108.800 0.057 0.000 2.598 379 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.244 379 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.244 379 G C -0.131 174.743 174.900 -0.043 0.000 1.302 379 G CA 0.101 45.198 45.100 -0.005 0.000 0.903 379 G HN 0.633 nan 8.290 nan 0.000 0.575 380 S N -1.458 114.107 115.700 -0.225 0.000 2.811 380 S HA 0.729 5.198 4.470 -0.001 0.000 0.311 380 S C 0.341 174.719 174.600 -0.369 0.000 1.152 380 S CA 0.320 58.314 58.200 -0.343 0.000 0.864 380 S CB 1.534 64.064 63.200 -1.116 0.000 1.226 380 S HN 1.752 nan 8.310 nan 0.000 0.541 381 M N 1.526 120.930 119.600 -0.326 0.000 2.274 381 M HA 0.247 4.726 4.480 -0.001 0.000 0.377 381 M C 1.281 177.414 176.300 -0.279 0.000 1.428 381 M CA 2.090 57.189 55.300 -0.334 0.000 0.907 381 M CB -0.863 31.642 32.600 -0.158 0.000 1.974 381 M HN 1.502 nan 8.290 nan 0.000 0.479 382 G N 2.892 111.515 108.800 -0.294 0.000 2.186 382 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.266 382 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.266 382 G C 0.123 174.926 174.900 -0.161 0.000 0.982 382 G CA 0.921 45.903 45.100 -0.197 0.000 0.670 382 G HN 1.091 nan 8.290 nan 0.000 0.533 383 T N -2.275 112.170 114.554 -0.182 0.000 2.910 383 T HA 0.827 5.176 4.350 -0.001 0.000 0.279 383 T C 0.777 175.415 174.700 -0.103 0.000 0.989 383 T CA 0.391 62.421 62.100 -0.117 0.000 0.968 383 T CB 1.822 70.629 68.868 -0.102 0.000 1.135 383 T HN 1.671 nan 8.240 nan 0.000 0.562 384 A N 1.074 123.856 122.820 -0.063 0.000 2.406 384 A HA 0.584 4.903 4.320 -0.001 0.000 0.243 384 A C 0.713 178.263 177.584 -0.057 0.000 1.082 384 A CA -0.130 51.850 52.037 -0.094 0.000 0.786 384 A CB -0.463 18.472 19.000 -0.109 0.000 1.029 384 A HN 1.551 nan 8.150 nan 0.000 0.495 385 S N -0.518 115.115 115.700 -0.113 0.000 2.667 385 S HA 0.866 5.336 4.470 -0.001 0.000 0.292 385 S C -1.162 173.398 174.600 -0.066 0.000 1.126 385 S CA -0.604 57.612 58.200 0.027 0.000 0.881 385 S CB 1.048 64.284 63.200 0.060 0.000 1.132 385 S HN 0.656 nan 8.310 nan 0.000 0.492 386 Y N -0.525 119.822 120.300 0.078 0.000 2.588 386 Y HA 0.677 5.227 4.550 -0.001 0.000 0.343 386 Y C -0.652 175.307 175.900 0.098 0.000 1.065 386 Y CA -1.032 57.128 58.100 0.101 0.000 1.038 386 Y CB 1.832 40.338 38.460 0.078 0.000 1.297 386 Y HN 0.899 nan 8.280 nan 0.000 0.467 387 I N 3.300 124.054 120.570 0.307 0.000 2.465 387 I HA 0.637 4.807 4.170 -0.001 0.000 0.291 387 I C -1.656 174.601 176.117 0.234 0.000 1.014 387 I CA -0.427 61.008 61.300 0.225 0.000 1.093 387 I CB 0.893 39.006 38.000 0.189 0.000 1.267 387 I HN 0.554 nan 8.210 nan 0.000 0.431 388 L N 6.559 127.887 121.223 0.174 0.000 2.183 388 L HA 0.929 5.269 4.340 -0.001 0.000 0.253 388 L C -0.580 176.393 176.870 0.171 0.000 1.048 388 L CA -1.039 53.879 54.840 0.129 0.000 0.890 388 L CB 1.608 43.693 42.059 0.044 0.000 1.476 388 L HN 0.608 nan 8.230 nan 0.000 0.455 389 A N -0.541 122.349 122.820 0.118 0.000 2.414 389 A HA 0.748 5.067 4.320 -0.001 0.000 0.306 389 A C -0.197 177.430 177.584 0.071 0.000 1.054 389 A CA -0.279 51.838 52.037 0.134 0.000 0.724 389 A CB 1.382 20.442 19.000 0.100 0.000 1.267 389 A HN 0.732 nan 8.150 nan 0.000 0.418 390 G N 0.652 109.498 108.800 0.076 0.000 2.614 390 G HA2 0.492 4.452 3.960 -0.001 0.000 0.239 390 G HA3 0.492 4.452 3.960 -0.001 0.000 0.239 390 G C 0.265 175.207 174.900 0.070 0.000 1.240 390 G CA 0.747 45.894 45.100 0.078 0.000 0.842 390 G HN 1.491 nan 8.290 nan 0.000 0.584 391 T N -1.880 112.709 114.554 0.058 0.000 2.865 391 T HA 0.440 4.789 4.350 -0.001 0.000 0.294 391 T C 0.714 175.438 174.700 0.040 0.000 1.119 391 T CA -0.534 61.590 62.100 0.040 0.000 1.007 391 T CB 2.128 71.005 68.868 0.015 0.000 1.225 391 T HN 0.335 nan 8.240 nan 0.000 0.515 392 E N 0.872 121.087 120.200 0.026 0.000 2.150 392 E HA 0.090 4.440 4.350 -0.001 0.000 0.193 392 E C 2.158 178.763 176.600 0.009 0.000 0.985 392 E CA 1.972 58.382 56.400 0.017 0.000 0.814 392 E CB -0.997 28.708 29.700 0.008 0.000 0.752 392 E HN 0.852 nan 8.360 nan 0.000 0.466 393 G N 0.353 109.156 108.800 0.006 0.000 2.440 393 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.218 393 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.218 393 G C 1.691 176.586 174.900 -0.010 0.000 1.154 393 G CA 1.153 46.252 45.100 -0.001 0.000 0.767 393 G HN 0.438 nan 8.290 nan 0.000 0.552 394 A N 0.152 122.969 122.820 -0.005 0.000 1.877 394 A HA 0.019 4.339 4.320 -0.001 0.000 0.216 394 A C 2.334 179.927 177.584 0.014 0.000 1.186 394 A CA 2.207 54.240 52.037 -0.006 0.000 0.620 394 A CB -0.378 18.640 19.000 0.030 0.000 0.822 394 A HN 0.361 nan 8.150 nan 0.000 0.443 395 M N -0.072 119.553 119.600 0.042 0.000 2.108 395 M HA -0.113 4.367 4.480 -0.001 0.000 0.261 395 M C 1.721 178.014 176.300 -0.011 0.000 1.066 395 M CA 1.860 57.193 55.300 0.056 0.000 1.107 395 M CB -0.369 32.252 32.600 0.035 0.000 1.356 395 M HN 0.362 nan 8.290 nan 0.000 0.406 396 K N -1.224 119.156 120.400 -0.034 0.000 2.366 396 K HA -0.042 4.278 4.320 -0.001 0.000 0.198 396 K C 1.774 178.306 176.600 -0.112 0.000 1.044 396 K CA 0.978 57.225 56.287 -0.066 0.000 0.973 396 K CB 0.118 32.600 32.500 -0.031 0.000 0.767 396 K HN 0.461 nan 8.250 nan 0.000 0.475 397 E N -0.537 119.608 120.200 -0.091 0.000 2.391 397 E HA -0.004 4.345 4.350 -0.001 0.000 0.206 397 E C 0.367 176.937 176.600 -0.051 0.000 0.851 397 E CA 0.673 57.057 56.400 -0.026 0.000 1.059 397 E CB 0.961 30.706 29.700 0.075 0.000 1.065 397 E HN 0.206 nan 8.360 nan 0.000 0.512 398 T N -2.526 111.958 114.554 -0.116 0.000 3.339 398 T HA 0.234 4.584 4.350 -0.001 0.000 0.292 398 T C 0.036 174.740 174.700 0.007 0.000 1.012 398 T CA -0.551 61.539 62.100 -0.018 0.000 0.937 398 T CB -0.611 68.252 68.868 -0.008 0.000 1.164 398 T HN 0.142 nan 8.240 nan 0.000 0.509 399 F N 1.546 121.423 119.950 -0.122 0.000 3.074 399 F HA -0.099 4.427 4.527 -0.001 0.000 0.287 399 F C 1.317 177.102 175.800 -0.026 0.000 0.932 399 F CA 0.737 58.459 58.000 -0.463 0.000 0.995 399 F CB -2.165 36.517 39.000 -0.529 0.000 0.966 399 F HN 0.712 nan 8.300 nan 0.000 0.721 400 G N 0.841 109.766 108.800 0.207 0.000 2.350 400 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.298 400 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.298 400 G C -0.079 174.986 174.900 0.276 0.000 1.037 400 G CA 0.397 45.711 45.100 0.357 0.000 1.074 400 G HN 0.792 nan 8.290 nan 0.000 0.511 401 S N -1.234 114.546 115.700 0.133 0.000 2.599 401 S HA 0.911 5.380 4.470 -0.001 0.000 0.287 401 S C 0.001 174.595 174.600 -0.011 0.000 1.105 401 S CA 0.011 58.252 58.200 0.068 0.000 0.899 401 S CB 2.734 65.989 63.200 0.092 0.000 1.100 401 S HN 0.880 nan 8.310 nan 0.000 0.482 402 T N -0.249 114.285 114.554 -0.034 0.000 2.654 402 T HA 0.526 4.876 4.350 -0.001 0.000 0.289 402 T C -0.302 174.369 174.700 -0.048 0.000 1.062 402 T CA -0.550 61.508 62.100 -0.069 0.000 1.041 402 T CB 0.285 69.115 68.868 -0.064 0.000 1.417 402 T HN 1.013 nan 8.240 nan 0.000 0.510 403 C N 0.663 119.943 119.300 -0.034 0.000 2.580 403 C HA 0.498 4.958 4.460 -0.001 0.000 0.371 403 C C 1.867 176.892 174.990 0.059 0.000 1.308 403 C CA -0.060 58.973 59.018 0.025 0.000 2.428 403 C CB -0.899 26.859 27.740 0.029 0.000 2.529 403 C HN 1.097 nan 8.230 nan 0.000 0.657 404 H N 0.791 119.872 119.070 0.019 0.000 2.399 404 H HA 0.226 4.782 4.556 -0.001 0.000 0.300 404 H C 1.402 176.829 175.328 0.166 0.000 1.048 404 H CA 0.782 56.893 56.048 0.105 0.000 1.370 404 H CB -0.206 29.702 29.762 0.243 0.000 1.428 404 H HN 1.245 nan 8.280 nan 0.000 0.534 405 G N 0.352 109.168 108.800 0.025 0.000 2.756 405 G HA2 0.097 4.057 3.960 -0.001 0.000 0.272 405 G HA3 0.097 4.057 3.960 -0.001 0.000 0.272 405 G C -0.408 174.356 174.900 -0.226 0.000 1.128 405 G CA 0.167 45.229 45.100 -0.063 0.000 1.145 405 G HN 0.973 nan 8.290 nan 0.000 0.545 406 A N -0.746 121.965 122.820 -0.182 0.000 2.246 406 A HA 0.811 5.130 4.320 -0.001 0.000 0.302 406 A C -0.008 177.659 177.584 0.137 0.000 0.999 406 A CA 0.352 52.341 52.037 -0.079 0.000 0.998 406 A CB 0.403 19.226 19.000 -0.295 0.000 1.183 406 A HN 2.330 nan 8.150 nan 0.000 0.351 407 G N 1.891 110.825 108.800 0.224 0.000 2.739 407 G HA2 0.587 4.547 3.960 -0.001 0.000 0.291 407 G HA3 0.587 4.547 3.960 -0.001 0.000 0.291 407 G C -0.547 174.344 174.900 -0.014 0.000 1.478 407 G CA -0.752 44.406 45.100 0.097 0.000 1.062 407 G HN 0.756 nan 8.290 nan 0.000 0.532 408 R N 1.032 121.354 120.500 -0.298 0.000 2.594 408 R HA 0.323 4.663 4.340 -0.001 0.000 0.272 408 R C 0.434 176.558 176.300 -0.294 0.000 1.074 408 R CA -0.488 55.297 56.100 -0.524 0.000 1.105 408 R CB 2.037 31.991 30.300 -0.578 0.000 1.008 408 R HN 0.313 nan 8.270 nan 0.000 0.472 409 V N 4.044 123.818 119.914 -0.233 0.000 3.477 409 V HA 0.289 4.409 4.120 -0.001 0.000 0.297 409 V C -0.620 175.417 176.094 -0.095 0.000 1.433 409 V CA 0.330 62.561 62.300 -0.115 0.000 1.052 409 V CB 0.132 31.927 31.823 -0.046 0.000 0.895 409 V HN 0.452 nan 8.190 nan 0.000 0.438 410 L N 0.899 122.042 121.223 -0.134 0.000 2.482 410 L HA 0.486 4.826 4.340 -0.001 0.000 0.263 410 L C 0.086 176.893 176.870 -0.105 0.000 0.957 410 L CA -0.439 54.353 54.840 -0.080 0.000 0.836 410 L CB 2.429 44.479 42.059 -0.014 0.000 1.324 410 L HN 0.183 nan 8.230 nan 0.000 0.406 411 S N 1.509 117.168 115.700 -0.068 0.000 2.580 411 S HA 0.228 4.698 4.470 -0.001 0.000 0.266 411 S C 1.035 175.612 174.600 -0.038 0.000 1.354 411 S CA -0.370 57.797 58.200 -0.056 0.000 1.008 411 S CB 1.149 64.331 63.200 -0.030 0.000 0.898 411 S HN 0.704 nan 8.310 nan 0.000 0.555 412 R N 1.544 122.028 120.500 -0.027 0.000 2.091 412 R HA -0.144 4.196 4.340 -0.001 0.000 0.238 412 R C 2.411 178.717 176.300 0.010 0.000 1.136 412 R CA 1.981 58.080 56.100 -0.002 0.000 0.959 412 R CB -0.498 29.805 30.300 0.005 0.000 0.856 412 R HN 0.912 nan 8.270 nan 0.000 0.437 413 K N 0.251 120.651 120.400 0.001 0.000 2.097 413 K HA -0.009 4.310 4.320 -0.001 0.000 0.206 413 K C 2.089 178.686 176.600 -0.004 0.000 1.049 413 K CA 1.513 57.801 56.287 0.000 0.000 0.933 413 K CB -0.235 32.263 32.500 -0.004 0.000 0.717 413 K HN 0.076 nan 8.250 nan 0.000 0.442 414 A N 1.519 124.332 122.820 -0.011 0.000 1.969 414 A HA 0.055 4.375 4.320 -0.001 0.000 0.218 414 A C 2.432 180.004 177.584 -0.020 0.000 1.169 414 A CA 1.486 53.509 52.037 -0.024 0.000 0.635 414 A CB -0.660 18.322 19.000 -0.029 0.000 0.810 414 A HN 0.501 nan 8.150 nan 0.000 0.445 415 A N -1.257 121.583 122.820 0.033 0.000 1.929 415 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 415 A C 2.258 179.920 177.584 0.130 0.000 1.176 415 A CA 2.001 54.124 52.037 0.143 0.000 0.628 415 A CB -1.072 18.037 19.000 0.181 0.000 0.816 415 A HN 0.382 nan 8.150 nan 0.000 0.444 416 T N 0.452 115.046 114.554 0.067 0.000 2.684 416 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 416 T C 2.066 176.775 174.700 0.016 0.000 1.036 416 T CA 1.909 64.039 62.100 0.051 0.000 1.148 416 T CB -0.306 68.579 68.868 0.027 0.000 0.863 416 T HN 0.792 nan 8.240 nan 0.000 0.436 417 R N 1.077 121.565 120.500 -0.020 0.000 2.148 417 R HA 0.051 4.390 4.340 -0.001 0.000 0.223 417 R C 2.267 178.504 176.300 -0.104 0.000 1.088 417 R CA 1.294 57.366 56.100 -0.048 0.000 0.985 417 R CB -0.259 30.013 30.300 -0.048 0.000 0.880 417 R HN 0.415 nan 8.270 nan 0.000 0.451 418 Q N -0.164 119.523 119.800 -0.188 0.000 2.250 418 Q HA 0.055 4.395 4.340 -0.001 0.000 0.200 418 Q C -0.482 175.211 176.000 -0.512 0.000 0.941 418 Q CA 0.495 56.051 55.803 -0.410 0.000 0.872 418 Q CB 0.297 28.652 28.738 -0.638 0.000 0.965 418 Q HN 0.401 nan 8.270 nan 0.000 0.480 419 Y N -0.371 119.929 120.300 -0.001 0.000 2.587 419 Y HA 0.562 5.112 4.550 -0.000 0.000 0.337 419 Y C -0.360 175.540 175.900 0.001 0.000 1.065 419 Y CA -1.419 56.682 58.100 0.001 0.000 1.126 419 Y CB 1.218 39.682 38.460 0.006 0.000 1.279 419 Y HN -0.210 nan 8.280 nan 0.000 0.489 420 R N 0.532 121.142 120.500 0.184 0.000 2.393 420 R HA 0.278 4.617 4.340 -0.001 0.000 0.315 420 R C 0.863 177.208 176.300 0.075 0.000 0.952 420 R CA -0.409 55.747 56.100 0.095 0.000 0.842 420 R CB 1.269 31.605 30.300 0.060 0.000 1.163 420 R HN 1.040 nan 8.270 nan 0.000 0.450 421 G N 2.458 111.289 108.800 0.052 0.000 2.529 421 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.219 421 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.219 421 G C 1.032 175.933 174.900 0.002 0.000 1.177 421 G CA 0.859 45.972 45.100 0.022 0.000 0.773 421 G HN 0.607 nan 8.290 nan 0.000 0.573 422 D N 0.192 120.594 120.400 0.003 0.000 2.182 422 D HA -0.128 4.512 4.640 -0.001 0.000 0.201 422 D C 2.560 178.858 176.300 -0.003 0.000 0.986 422 D CA 1.041 55.036 54.000 -0.008 0.000 0.847 422 D CB 0.029 40.827 40.800 -0.003 0.000 0.942 422 D HN 0.208 nan 8.370 nan 0.000 0.467 423 R N 0.756 121.264 120.500 0.014 0.000 2.062 423 R HA -0.056 4.283 4.340 -0.001 0.000 0.229 423 R C 2.355 178.660 176.300 0.008 0.000 1.128 423 R CA 0.819 56.932 56.100 0.021 0.000 0.960 423 R CB -0.886 29.442 30.300 0.047 0.000 0.855 423 R HN 0.115 nan 8.270 nan 0.000 0.432 424 I N 1.214 121.786 120.570 0.003 0.000 2.163 424 I HA -0.262 3.907 4.170 -0.001 0.000 0.243 424 I C 2.470 178.557 176.117 -0.050 0.000 1.085 424 I CA 1.643 62.919 61.300 -0.040 0.000 1.347 424 I CB -1.093 36.862 38.000 -0.076 0.000 1.044 424 I HN 0.332 nan 8.210 nan 0.000 0.408 425 R N 0.728 121.199 120.500 -0.049 0.000 2.096 425 R HA -0.280 4.060 4.340 -0.001 0.000 0.240 425 R C 2.343 178.612 176.300 -0.053 0.000 1.139 425 R CA 2.147 58.206 56.100 -0.069 0.000 0.952 425 R CB -0.231 30.023 30.300 -0.077 0.000 0.854 425 R HN 0.266 nan 8.270 nan 0.000 0.436 426 Q N 0.760 120.542 119.800 -0.030 0.000 2.119 426 Q HA -0.153 4.186 4.340 -0.001 0.000 0.201 426 Q C 1.529 177.522 176.000 -0.013 0.000 0.972 426 Q CA 2.083 57.877 55.803 -0.015 0.000 0.847 426 Q CB 0.046 28.782 28.738 -0.004 0.000 0.903 426 Q HN 0.510 nan 8.270 nan 0.000 0.433 427 E N -0.617 119.573 120.200 -0.016 0.000 2.110 427 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 427 E C 1.747 178.332 176.600 -0.024 0.000 0.988 427 E CA 1.080 57.471 56.400 -0.015 0.000 0.804 427 E CB -0.048 29.641 29.700 -0.018 0.000 0.745 427 E HN 0.243 nan 8.360 nan 0.000 0.458 428 L N 0.730 121.930 121.223 -0.039 0.000 2.093 428 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 428 L C 2.229 179.085 176.870 -0.024 0.000 1.085 428 L CA 1.231 56.044 54.840 -0.045 0.000 0.755 428 L CB -0.534 41.482 42.059 -0.072 0.000 0.904 428 L HN 0.181 nan 8.230 nan 0.000 0.435 429 L N -0.432 120.782 121.223 -0.015 0.000 2.083 429 L HA -0.223 4.117 4.340 -0.001 0.000 0.209 429 L C 1.872 178.753 176.870 0.018 0.000 1.083 429 L CA 1.201 56.052 54.840 0.018 0.000 0.752 429 L CB -0.215 41.860 42.059 0.028 0.000 0.899 429 L HN 0.420 nan 8.230 nan 0.000 0.433 430 N N 0.048 118.752 118.700 0.006 0.000 2.494 430 N HA -0.083 4.657 4.740 -0.001 0.000 0.182 430 N C 1.290 176.802 175.510 0.003 0.000 1.076 430 N CA 0.670 53.724 53.050 0.006 0.000 0.908 430 N CB -0.068 38.421 38.487 0.004 0.000 0.967 430 N HN 0.344 nan 8.380 nan 0.000 0.449 431 R N -0.246 120.253 120.500 -0.002 0.000 2.334 431 R HA 0.145 4.485 4.340 -0.001 0.000 0.220 431 R C 0.642 176.941 176.300 -0.002 0.000 0.917 431 R CA 0.267 56.364 56.100 -0.006 0.000 1.073 431 R CB 0.265 30.555 30.300 -0.016 0.000 1.056 431 R HN 0.143 nan 8.270 nan 0.000 0.506 432 G N 1.368 110.173 108.800 0.008 0.000 2.143 432 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.249 432 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.249 432 G C 0.092 175.009 174.900 0.028 0.000 0.981 432 G CA -0.177 44.933 45.100 0.017 0.000 0.665 432 G HN 0.259 nan 8.290 nan 0.000 0.528 433 I N 0.585 121.168 120.570 0.022 0.000 2.330 433 I HA 0.370 4.539 4.170 -0.001 0.000 0.289 433 I C 0.026 176.174 176.117 0.052 0.000 1.001 433 I CA -1.276 60.038 61.300 0.023 0.000 1.193 433 I CB 1.096 39.079 38.000 -0.028 0.000 1.345 433 I HN 0.122 nan 8.210 nan 0.000 0.461 434 Y N 7.692 127.969 120.300 -0.038 0.000 2.365 434 Y HA 0.485 5.035 4.550 -0.001 0.000 0.340 434 Y C -0.597 175.272 175.900 -0.051 0.000 1.016 434 Y CA -0.431 57.643 58.100 -0.044 0.000 1.196 434 Y CB 0.846 39.283 38.460 -0.039 0.000 1.167 434 Y HN 0.257 nan 8.280 nan 0.000 0.509 435 V N 7.775 127.282 119.914 -0.678 0.000 2.495 435 V HA 0.583 4.703 4.120 -0.001 0.000 0.298 435 V C -0.453 175.217 176.094 -0.707 0.000 1.031 435 V CA -1.036 60.944 62.300 -0.534 0.000 0.871 435 V CB 1.595 33.239 31.823 -0.297 0.000 0.988 435 V HN 0.559 nan 8.190 nan 0.000 0.432 436 R N 3.065 123.251 120.500 -0.522 0.000 2.388 436 R HA 0.797 5.137 4.340 -0.001 0.000 0.314 436 R C -0.527 175.479 176.300 -0.489 0.000 0.959 436 R CA -0.283 55.441 56.100 -0.627 0.000 0.851 436 R CB 1.684 31.554 30.300 -0.717 0.000 1.168 436 R HN 0.862 nan 8.270 nan 0.000 0.472 437 A N 1.369 123.964 122.820 -0.375 0.000 2.374 437 A HA 0.678 4.998 4.320 -0.001 0.000 0.317 437 A C 0.739 178.371 177.584 0.080 0.000 1.094 437 A CA -0.149 51.862 52.037 -0.044 0.000 0.765 437 A CB 1.553 20.536 19.000 -0.028 0.000 1.268 437 A HN 0.676 nan 8.150 nan 0.000 0.438 438 A N 0.975 124.001 122.820 0.343 0.000 2.015 438 A HA 0.330 4.650 4.320 -0.001 0.000 0.219 438 A C 1.205 178.880 177.584 0.152 0.000 1.163 438 A CA 1.782 54.025 52.037 0.343 0.000 0.646 438 A CB -0.467 18.677 19.000 0.241 0.000 0.806 438 A HN 2.018 nan 8.150 nan 0.000 0.448 439 S N -3.206 112.551 115.700 0.095 0.000 2.556 439 S HA 0.564 5.034 4.470 -0.001 0.000 0.271 439 S C 0.361 174.978 174.600 0.029 0.000 1.135 439 S CA -0.618 57.613 58.200 0.053 0.000 0.858 439 S CB 1.030 64.260 63.200 0.051 0.000 1.114 439 S HN -0.018 nan 8.310 nan 0.000 0.468 440 M N 1.403 121.012 119.600 0.016 0.000 2.319 440 M HA 0.102 4.582 4.480 -0.001 0.000 0.265 440 M C 2.146 178.459 176.300 0.021 0.000 1.068 440 M CA 1.089 56.394 55.300 0.008 0.000 1.118 440 M CB -1.263 31.339 32.600 0.004 0.000 1.395 440 M HN 0.936 nan 8.290 nan 0.000 0.435 441 R N -0.081 120.436 120.500 0.028 0.000 2.081 441 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 441 R C 2.140 178.465 176.300 0.041 0.000 1.131 441 R CA 1.444 57.564 56.100 0.034 0.000 0.960 441 R CB -0.402 29.916 30.300 0.030 0.000 0.856 441 R HN 0.226 nan 8.270 nan 0.000 0.436 442 V N 0.620 120.559 119.914 0.043 0.000 2.490 442 V HA -0.165 3.955 4.120 -0.001 0.000 0.250 442 V C 2.142 178.266 176.094 0.050 0.000 1.061 442 V CA 1.675 64.006 62.300 0.051 0.000 1.064 442 V CB 0.016 31.875 31.823 0.061 0.000 0.670 442 V HN 0.236 nan 8.190 nan 0.000 0.461 443 V N 0.547 120.480 119.914 0.032 0.000 2.343 443 V HA -0.208 3.911 4.120 -0.001 0.000 0.247 443 V C 2.793 178.894 176.094 0.011 0.000 1.051 443 V CA 2.147 64.453 62.300 0.009 0.000 1.036 443 V CB -1.145 30.669 31.823 -0.014 0.000 0.654 443 V HN 0.659 nan 8.190 nan 0.000 0.451 444 A N -0.555 122.289 122.820 0.039 0.000 1.897 444 A HA -0.185 4.135 4.320 -0.001 0.000 0.215 444 A C 2.153 179.798 177.584 0.101 0.000 1.181 444 A CA 1.505 53.590 52.037 0.080 0.000 0.620 444 A CB -0.418 18.652 19.000 0.118 0.000 0.821 444 A HN 0.596 nan 8.150 nan 0.000 0.443 445 E N -0.161 120.090 120.200 0.085 0.000 2.153 445 E HA -0.142 4.207 4.350 -0.001 0.000 0.194 445 E C 0.791 177.452 176.600 0.101 0.000 0.988 445 E CA 1.056 57.508 56.400 0.086 0.000 0.811 445 E CB 0.007 29.746 29.700 0.065 0.000 0.746 445 E HN 0.495 nan 8.360 nan 0.000 0.466 446 E N -0.019 120.248 120.200 0.112 0.000 2.451 446 E HA 0.191 4.541 4.350 -0.001 0.000 0.194 446 E C -0.147 176.531 176.600 0.129 0.000 1.027 446 E CA -0.144 56.380 56.400 0.207 0.000 0.914 446 E CB 0.500 30.294 29.700 0.156 0.000 1.054 446 E HN 0.112 nan 8.360 nan 0.000 0.461 447 A N 2.276 125.085 122.820 -0.018 0.000 2.520 447 A HA 0.128 4.448 4.320 -0.001 0.000 0.235 447 A C -1.312 176.211 177.584 -0.101 0.000 1.065 447 A CA -0.735 51.180 52.037 -0.204 0.000 0.764 447 A CB 0.163 18.769 19.000 -0.657 0.000 1.002 447 A HN -0.096 nan 8.150 nan 0.000 0.502 448 P HA -0.176 nan 4.420 nan 0.000 0.216 448 P C 1.694 179.000 177.300 0.010 0.000 1.157 448 P CA 2.119 65.199 63.100 -0.032 0.000 0.880 448 P CB 0.012 31.670 31.700 -0.071 0.000 0.791 449 G N -0.295 108.431 108.800 -0.125 0.000 2.499 449 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.221 449 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.221 449 G C 1.418 176.374 174.900 0.093 0.000 1.109 449 G CA 0.806 45.905 45.100 -0.001 0.000 0.749 449 G HN 0.385 nan 8.290 nan 0.000 0.568 450 A N -1.166 121.683 122.820 0.050 0.000 2.251 450 A HA 0.511 4.830 4.320 -0.001 0.000 0.209 450 A C 0.104 177.589 177.584 -0.166 0.000 1.187 450 A CA -0.094 51.948 52.037 0.009 0.000 0.823 450 A CB -0.026 18.958 19.000 -0.027 0.000 0.846 450 A HN 0.293 nan 8.150 nan 0.000 0.486 451 Y N -0.153 120.146 120.300 -0.002 0.000 2.468 451 Y HA 0.457 5.006 4.550 -0.001 0.000 0.342 451 Y C 0.500 176.401 175.900 0.002 0.000 1.021 451 Y CA -0.934 57.163 58.100 -0.004 0.000 1.079 451 Y CB 1.287 39.745 38.460 -0.005 0.000 1.226 451 Y HN 0.009 nan 8.280 nan 0.000 0.460 452 K N 1.241 121.727 120.400 0.143 0.000 2.286 452 K HA -0.018 4.301 4.320 -0.001 0.000 0.256 452 K C 0.101 176.769 176.600 0.115 0.000 0.999 452 K CA -0.287 56.056 56.287 0.094 0.000 0.908 452 K CB 0.239 32.780 32.500 0.067 0.000 0.981 452 K HN 0.488 nan 8.250 nan 0.000 0.500 453 N N 1.828 120.577 118.700 0.081 0.000 2.406 453 N HA -0.061 4.678 4.740 -0.001 0.000 0.265 453 N C 0.735 176.290 175.510 0.074 0.000 1.203 453 N CA 0.150 53.247 53.050 0.078 0.000 0.945 453 N CB 0.979 39.504 38.487 0.064 0.000 1.165 453 N HN 0.423 nan 8.380 nan 0.000 0.485 454 V N 4.132 124.099 119.914 0.088 0.000 2.469 454 V HA -0.203 3.917 4.120 -0.001 0.000 0.251 454 V C 1.364 177.488 176.094 0.049 0.000 1.064 454 V CA 1.861 64.209 62.300 0.080 0.000 1.066 454 V CB -0.159 31.736 31.823 0.121 0.000 0.667 454 V HN 0.634 nan 8.190 nan 0.000 0.461 455 D N 0.210 120.671 120.400 0.102 0.000 2.144 455 D HA -0.152 4.488 4.640 -0.001 0.000 0.199 455 D C 1.781 178.064 176.300 -0.029 0.000 0.984 455 D CA 1.447 55.481 54.000 0.057 0.000 0.834 455 D CB -0.310 40.587 40.800 0.162 0.000 0.955 455 D HN 0.504 nan 8.370 nan 0.000 0.465 456 N N 0.657 119.363 118.700 0.009 0.000 2.270 456 N HA -0.081 4.659 4.740 -0.001 0.000 0.181 456 N C 2.104 177.605 175.510 -0.015 0.000 1.016 456 N CA 0.307 53.359 53.050 0.003 0.000 0.870 456 N CB -0.302 38.202 38.487 0.028 0.000 0.979 456 N HN 0.091 nan 8.380 nan 0.000 0.431 457 V N 0.749 120.652 119.914 -0.018 0.000 2.358 457 V HA -0.132 3.988 4.120 -0.001 0.000 0.246 457 V C 2.409 178.455 176.094 -0.079 0.000 1.047 457 V CA 1.056 63.344 62.300 -0.019 0.000 1.035 457 V CB -0.443 31.380 31.823 0.000 0.000 0.658 457 V HN 0.045 nan 8.190 nan 0.000 0.452 458 V N 0.067 119.875 119.914 -0.177 0.000 2.407 458 V HA -0.287 3.833 4.120 -0.001 0.000 0.248 458 V C 2.431 178.380 176.094 -0.241 0.000 1.055 458 V CA 2.327 64.445 62.300 -0.303 0.000 1.049 458 V CB -0.653 30.755 31.823 -0.691 0.000 0.662 458 V HN 0.580 nan 8.190 nan 0.000 0.455 459 K N -0.081 120.211 120.400 -0.180 0.000 2.097 459 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 459 K C 2.042 178.604 176.600 -0.063 0.000 1.049 459 K CA 1.579 57.796 56.287 -0.117 0.000 0.933 459 K CB -0.142 32.322 32.500 -0.061 0.000 0.717 459 K HN 0.328 nan 8.250 nan 0.000 0.442 460 V N 1.268 121.165 119.914 -0.029 0.000 2.261 460 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 460 V C 2.379 178.479 176.094 0.010 0.000 1.047 460 V CA 1.861 64.176 62.300 0.024 0.000 1.015 460 V CB -0.281 31.586 31.823 0.073 0.000 0.642 460 V HN 0.442 nan 8.190 nan 0.000 0.446 461 V N -2.091 117.800 119.914 -0.039 0.000 2.515 461 V HA -0.184 3.935 4.120 -0.001 0.000 0.250 461 V C 2.413 178.458 176.094 -0.082 0.000 1.058 461 V CA 2.343 64.596 62.300 -0.079 0.000 1.064 461 V CB -0.798 30.960 31.823 -0.107 0.000 0.675 461 V HN 0.481 nan 8.190 nan 0.000 0.461 462 S N 0.703 116.343 115.700 -0.100 0.000 2.348 462 S HA -0.245 4.225 4.470 -0.001 0.000 0.221 462 S C 2.006 176.570 174.600 -0.060 0.000 1.033 462 S CA 2.013 60.150 58.200 -0.105 0.000 1.010 462 S CB -0.489 62.614 63.200 -0.160 0.000 0.891 462 S HN 0.803 nan 8.310 nan 0.000 0.442 463 E N 0.704 120.880 120.200 -0.039 0.000 2.153 463 E HA -0.060 4.289 4.350 -0.001 0.000 0.194 463 E C 2.223 178.829 176.600 0.009 0.000 0.988 463 E CA 0.962 57.355 56.400 -0.012 0.000 0.811 463 E CB -0.264 29.438 29.700 0.003 0.000 0.746 463 E HN 0.634 nan 8.360 nan 0.000 0.466 464 A N 0.307 123.142 122.820 0.025 0.000 2.066 464 A HA 0.108 4.428 4.320 -0.001 0.000 0.218 464 A C 1.960 179.554 177.584 0.017 0.000 1.157 464 A CA 1.116 53.190 52.037 0.061 0.000 0.670 464 A CB -0.422 18.649 19.000 0.118 0.000 0.804 464 A HN 0.368 nan 8.150 nan 0.000 0.453 465 G N -0.386 108.404 108.800 -0.017 0.000 2.157 465 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.248 465 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.248 465 G C 0.757 175.634 174.900 -0.037 0.000 0.979 465 G CA 0.468 45.555 45.100 -0.021 0.000 0.650 465 G HN 1.263 nan 8.290 nan 0.000 0.529 466 I N -2.194 118.331 120.570 -0.075 0.000 3.684 466 I HA 0.679 4.848 4.170 -0.001 0.000 0.304 466 I C 0.709 176.786 176.117 -0.067 0.000 1.278 466 I CA 0.507 61.750 61.300 -0.095 0.000 1.272 466 I CB 0.152 38.025 38.000 -0.212 0.000 1.029 466 I HN 0.775 nan 8.210 nan 0.000 0.458 467 A N 1.395 124.180 122.820 -0.058 0.000 2.589 467 A HA 0.585 4.904 4.320 -0.001 0.000 0.296 467 A C -1.189 176.367 177.584 -0.046 0.000 1.062 467 A CA -0.779 51.233 52.037 -0.041 0.000 0.686 467 A CB 1.390 20.358 19.000 -0.055 0.000 1.282 467 A HN 0.220 nan 8.150 nan 0.000 0.404 468 K N 2.460 122.845 120.400 -0.025 0.000 2.307 468 K HA 0.628 4.948 4.320 -0.001 0.000 0.263 468 K C -0.965 175.613 176.600 -0.036 0.000 0.973 468 K CA -0.584 55.684 56.287 -0.031 0.000 0.846 468 K CB 0.722 33.217 32.500 -0.008 0.000 1.100 468 K HN 0.706 nan 8.250 nan 0.000 0.438 469 L N 4.635 125.797 121.223 -0.102 0.000 2.540 469 L HA -0.031 4.309 4.340 -0.001 0.000 0.276 469 L C 0.751 177.662 176.870 0.068 0.000 1.212 469 L CA -0.171 54.576 54.840 -0.154 0.000 0.893 469 L CB 0.781 42.506 42.059 -0.557 0.000 1.138 469 L HN 0.630 nan 8.230 nan 0.000 0.491 470 V N 2.245 122.287 119.914 0.214 0.000 2.948 470 V HA 0.438 4.558 4.120 -0.001 0.000 0.234 470 V C 0.449 176.794 176.094 0.418 0.000 1.205 470 V CA 0.839 63.292 62.300 0.255 0.000 1.234 470 V CB 0.841 32.758 31.823 0.156 0.000 1.020 470 V HN 0.858 nan 8.190 nan 0.000 0.491 471 A N -0.152 122.959 122.820 0.485 0.000 2.586 471 A HA 0.816 5.135 4.320 -0.001 0.000 0.290 471 A C -1.069 176.746 177.584 0.386 0.000 1.086 471 A CA -0.572 51.688 52.037 0.371 0.000 0.665 471 A CB 1.768 20.853 19.000 0.141 0.000 1.279 471 A HN 0.160 nan 8.150 nan 0.000 0.423 472 R N 0.110 120.689 120.500 0.131 0.000 2.750 472 R HA 0.804 5.143 4.340 -0.001 0.000 0.281 472 R C -1.511 174.687 176.300 -0.170 0.000 0.972 472 R CA -0.646 55.356 56.100 -0.164 0.000 0.912 472 R CB 1.496 31.647 30.300 -0.248 0.000 1.187 472 R HN 0.740 nan 8.270 nan 0.000 0.464 473 M N 2.042 121.516 119.600 -0.211 0.000 2.662 473 M HA 0.494 4.974 4.480 -0.001 0.000 0.310 473 M C -0.838 175.378 176.300 -0.139 0.000 1.204 473 M CA -0.546 54.676 55.300 -0.130 0.000 0.891 473 M CB 2.138 34.697 32.600 -0.068 0.000 1.732 473 M HN 0.500 nan 8.290 nan 0.000 0.467 474 R N 1.736 122.179 120.500 -0.096 0.000 2.513 474 R HA 0.704 5.043 4.340 -0.001 0.000 0.301 474 R C -3.016 173.249 176.300 -0.060 0.000 0.968 474 R CA -1.614 54.436 56.100 -0.083 0.000 0.872 474 R CB 1.752 32.009 30.300 -0.071 0.000 1.177 474 R HN 0.296 nan 8.270 nan 0.000 0.444 475 P HA 0.157 nan 4.420 nan 0.000 0.275 475 P C 0.059 177.342 177.300 -0.028 0.000 1.228 475 P CA -0.324 62.742 63.100 -0.057 0.000 0.786 475 P CB 0.686 32.318 31.700 -0.114 0.000 0.927 476 I N -1.570 119.004 120.570 0.005 0.000 4.526 476 I HA 0.533 4.703 4.170 -0.001 0.000 0.330 476 I C 0.442 176.596 176.117 0.063 0.000 1.323 476 I CA -0.120 61.197 61.300 0.029 0.000 1.218 476 I CB 0.795 38.819 38.000 0.039 0.000 1.233 476 I HN 0.289 nan 8.210 nan 0.000 0.430 477 G N 1.294 110.131 108.800 0.061 0.000 2.731 477 G HA2 0.641 4.600 3.960 -0.001 0.000 0.298 477 G HA3 0.641 4.600 3.960 -0.001 0.000 0.298 477 G C -1.620 173.307 174.900 0.044 0.000 1.424 477 G CA -0.449 44.709 45.100 0.096 0.000 1.029 477 G HN -0.081 nan 8.290 nan 0.000 0.518 478 V N 0.666 120.582 119.914 0.004 0.000 2.623 478 V HA 0.784 4.904 4.120 -0.001 0.000 0.304 478 V C 0.003 176.117 176.094 0.033 0.000 1.054 478 V CA -0.769 61.522 62.300 -0.016 0.000 0.882 478 V CB 1.628 33.386 31.823 -0.108 0.000 1.002 478 V HN 1.284 nan 8.190 nan 0.000 0.424 479 A N 5.538 128.451 122.820 0.155 0.000 2.311 479 A HA 0.902 5.222 4.320 -0.001 0.000 0.306 479 A C -0.412 177.361 177.584 0.316 0.000 1.189 479 A CA -0.572 51.637 52.037 0.286 0.000 0.791 479 A CB 0.881 20.094 19.000 0.355 0.000 1.172 479 A HN 0.941 nan 8.150 nan 0.000 0.481 480 K N 1.639 122.240 120.400 0.335 0.000 2.555 480 K HA 0.791 5.111 4.320 -0.001 0.000 0.279 480 K C -0.177 176.594 176.600 0.285 0.000 0.986 480 K CA -0.529 55.929 56.287 0.284 0.000 0.880 480 K CB 1.489 34.140 32.500 0.252 0.000 1.474 480 K HN 0.768 nan 8.250 nan 0.000 0.433 481 G N 0.000 108.917 108.800 0.195 0.000 5.446 481 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 481 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 481 G CA 0.000 45.192 45.100 0.153 0.000 0.502 481 G HN 0.000 nan 8.290 nan 0.000 0.925