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_A 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 0.000 175.977 176.094 -0.194 0.000 1.182 2 V CA 0.000 62.239 62.300 -0.101 0.000 1.235 2 V CB 0.000 31.765 31.823 -0.096 0.000 1.184 3 V N 7.301 127.082 119.914 -0.222 0.000 2.370 3 V HA 0.508 4.626 4.120 -0.003 0.000 0.283 3 V C -1.934 173.932 176.094 -0.380 0.000 1.023 3 V CA -1.616 60.453 62.300 -0.384 0.000 0.857 3 V CB 1.967 33.684 31.823 -0.176 0.000 0.985 3 V HN 0.759 nan 8.190 nan 0.000 0.443 4 P HA 0.432 nan 4.420 nan 0.000 0.272 4 P C -1.039 176.164 177.300 -0.162 0.000 1.223 4 P CA -0.198 62.717 63.100 -0.308 0.000 0.784 4 P CB 0.810 32.313 31.700 -0.329 0.000 0.923 5 L N 1.673 122.870 121.223 -0.043 0.000 2.422 5 L HA 0.502 4.841 4.340 -0.003 0.000 0.264 5 L C 0.137 177.074 176.870 0.112 0.000 0.984 5 L CA -0.692 54.188 54.840 0.068 0.000 0.819 5 L CB 2.487 44.630 42.059 0.140 0.000 1.330 5 L HN 0.188 nan 8.230 nan 0.000 0.410 6 K N 2.559 123.027 120.400 0.115 0.000 2.507 6 K HA 0.401 4.720 4.320 -0.003 0.000 0.253 6 K C -0.784 175.818 176.600 0.003 0.000 0.969 6 K CA -0.745 55.569 56.287 0.046 0.000 0.908 6 K CB 2.268 34.777 32.500 0.015 0.000 1.127 6 K HN 0.439 nan 8.250 nan 0.000 0.437 7 R N 3.499 123.918 120.500 -0.136 0.000 2.442 7 R HA 0.132 4.470 4.340 -0.003 0.000 0.291 7 R C 0.630 176.704 176.300 -0.378 0.000 1.069 7 R CA 0.177 55.956 56.100 -0.537 0.000 1.022 7 R CB 0.420 30.130 30.300 -0.983 0.000 0.976 7 R HN 0.666 nan 8.270 nan 0.000 0.443 8 I N 2.165 122.503 120.570 -0.386 0.000 2.731 8 I HA 0.037 4.205 4.170 -0.003 0.000 0.260 8 I C 0.177 176.147 176.117 -0.245 0.000 1.138 8 I CA 0.485 61.638 61.300 -0.245 0.000 1.461 8 I CB 0.020 37.904 38.000 -0.194 0.000 1.128 8 I HN 0.737 nan 8.210 nan 0.000 0.438 9 D N -1.600 118.605 120.400 -0.324 0.000 2.970 9 D HA 0.108 4.746 4.640 -0.003 0.000 0.344 9 D C 0.209 176.328 176.300 -0.302 0.000 1.365 9 D CA -0.702 53.151 54.000 -0.245 0.000 0.910 9 D CB 0.451 41.166 40.800 -0.141 0.000 1.445 9 D HN -0.298 nan 8.370 nan 0.000 0.532 10 K N -0.672 119.620 120.400 -0.180 0.000 2.152 10 K HA -0.013 4.306 4.320 -0.003 0.000 0.206 10 K C 1.334 177.885 176.600 -0.081 0.000 1.048 10 K CA 1.790 57.997 56.287 -0.134 0.000 0.933 10 K CB -0.262 32.205 32.500 -0.055 0.000 0.721 10 K HN 0.553 nan 8.250 nan 0.000 0.447 11 I N -2.638 117.900 120.570 -0.054 0.000 4.147 11 I HA 0.227 4.395 4.170 -0.003 0.000 0.329 11 I C -0.611 175.551 176.117 0.074 0.000 1.424 11 I CA -0.201 61.147 61.300 0.080 0.000 1.127 11 I CB 0.158 38.230 38.000 0.120 0.000 1.128 11 I HN -0.110 nan 8.210 nan 0.000 0.417 12 R N 0.818 121.231 120.500 -0.145 0.000 2.599 12 R HA 0.632 4.970 4.340 -0.003 0.000 0.295 12 R C -2.000 174.117 176.300 -0.305 0.000 0.963 12 R CA -0.319 55.644 56.100 -0.228 0.000 0.883 12 R CB 1.765 31.903 30.300 -0.269 0.000 1.171 12 R HN 0.090 nan 8.270 nan 0.000 0.450 13 W N 0.944 122.076 121.300 -0.279 0.000 3.022 13 W HA 0.329 4.986 4.660 -0.005 0.000 0.335 13 W C -0.407 175.989 176.519 -0.206 0.000 1.133 13 W CA -0.680 56.552 57.345 -0.188 0.000 1.219 13 W CB 1.437 30.813 29.460 -0.139 0.000 1.409 13 W HN 0.473 nan 8.180 nan 0.000 0.507 14 E N 2.683 122.934 120.200 0.086 0.000 2.183 14 E HA 0.586 4.935 4.350 -0.003 0.000 0.271 14 E C -1.162 175.482 176.600 0.073 0.000 0.919 14 E CA -0.585 55.831 56.400 0.027 0.000 0.781 14 E CB 1.235 30.939 29.700 0.007 0.000 1.140 14 E HN 0.510 nan 8.360 nan 0.000 0.402 15 I N 6.413 127.024 120.570 0.069 0.000 2.307 15 I HA 0.276 4.445 4.170 -0.003 0.000 0.289 15 I C -2.097 174.108 176.117 0.147 0.000 1.021 15 I CA -2.415 58.947 61.300 0.103 0.000 1.224 15 I CB 1.163 39.237 38.000 0.124 0.000 1.376 15 I HN 0.397 nan 8.210 nan 0.000 0.470 16 P HA 0.084 nan 4.420 nan 0.000 0.273 16 P C -0.797 176.643 177.300 0.234 0.000 1.250 16 P CA -0.509 62.688 63.100 0.161 0.000 0.793 16 P CB 0.499 32.277 31.700 0.130 0.000 1.011 17 K N 1.055 121.542 120.400 0.144 0.000 2.480 17 K HA 0.109 4.427 4.320 -0.003 0.000 0.241 17 K C 0.696 177.337 176.600 0.067 0.000 1.261 17 K CA 0.106 56.437 56.287 0.072 0.000 1.193 17 K CB -1.155 31.363 32.500 0.031 0.000 1.598 17 K HN 0.477 nan 8.250 nan 0.000 0.278 18 F N -0.874 119.081 119.950 0.009 0.000 2.661 18 F HA 0.084 4.609 4.527 -0.004 0.000 0.298 18 F C 0.416 176.217 175.800 0.001 0.000 1.137 18 F CA -0.242 57.761 58.000 0.005 0.000 1.454 18 F CB 0.230 39.232 39.000 0.004 0.000 1.103 18 F HN 0.047 nan 8.300 nan 0.000 0.577 19 D N 1.430 121.401 120.400 -0.716 0.000 2.391 19 D HA 0.113 4.751 4.640 -0.003 0.000 0.245 19 D C 0.786 176.917 176.300 -0.281 0.000 1.069 19 D CA -0.357 53.300 54.000 -0.573 0.000 0.831 19 D CB 1.936 42.238 40.800 -0.829 0.000 1.204 19 D HN -0.027 nan 8.370 nan 0.000 0.503 20 K N 3.216 123.519 120.400 -0.162 0.000 2.281 20 K HA -0.107 4.211 4.320 -0.003 0.000 0.203 20 K C 1.471 178.016 176.600 -0.091 0.000 1.046 20 K CA 1.337 57.566 56.287 -0.096 0.000 0.938 20 K CB 0.034 32.498 32.500 -0.061 0.000 0.737 20 K HN 0.376 nan 8.250 nan 0.000 0.458 21 R N -0.553 119.879 120.500 -0.115 0.000 2.236 21 R HA 0.147 4.485 4.340 -0.003 0.000 0.208 21 R C 0.260 176.509 176.300 -0.085 0.000 1.036 21 R CA 0.140 56.188 56.100 -0.087 0.000 1.001 21 R CB -0.141 30.108 30.300 -0.085 0.000 0.896 21 R HN 0.192 nan 8.270 nan 0.000 0.464 22 M N 0.810 120.341 119.600 -0.116 0.000 2.246 22 M HA 0.030 4.509 4.480 -0.003 0.000 0.350 22 M C 1.026 177.298 176.300 -0.047 0.000 1.406 22 M CA 0.662 55.910 55.300 -0.088 0.000 1.089 22 M CB 0.810 33.343 32.600 -0.111 0.000 1.782 22 M HN -0.007 nan 8.290 nan 0.000 0.457 23 R N 1.781 122.262 120.500 -0.031 0.000 2.173 23 R HA 0.125 4.464 4.340 -0.003 0.000 0.208 23 R C 0.255 176.550 176.300 -0.009 0.000 1.035 23 R CA 0.476 56.562 56.100 -0.024 0.000 1.004 23 R CB 0.199 30.482 30.300 -0.029 0.000 0.917 23 R HN 0.690 nan 8.270 nan 0.000 0.462 24 V N -3.255 116.663 119.914 0.007 0.000 3.206 24 V HA 0.563 4.681 4.120 -0.003 0.000 0.305 24 V C -2.835 173.303 176.094 0.075 0.000 1.257 24 V CA -2.770 59.556 62.300 0.043 0.000 1.057 24 V CB 2.577 34.427 31.823 0.045 0.000 1.075 24 V HN -0.176 nan 8.190 nan 0.000 0.443 25 P HA 0.452 nan 4.420 nan 0.000 0.282 25 P C -0.151 177.246 177.300 0.163 0.000 1.287 25 P CA 0.022 63.203 63.100 0.136 0.000 0.792 25 P CB 1.155 32.942 31.700 0.144 0.000 1.163 26 G N -0.292 108.580 108.800 0.121 0.000 2.434 26 G HA2 0.588 4.546 3.960 -0.003 0.000 0.330 26 G HA3 0.588 4.546 3.960 -0.003 0.000 0.330 26 G C -0.944 173.948 174.900 -0.012 0.000 1.155 26 G CA -0.418 44.733 45.100 0.086 0.000 0.917 26 G HN 0.507 nan 8.290 nan 0.000 0.493 27 R N 0.239 120.673 120.500 -0.110 0.000 2.514 27 R HA 0.556 4.894 4.340 -0.003 0.000 0.296 27 R C -1.638 174.524 176.300 -0.230 0.000 1.012 27 R CA -0.468 55.424 56.100 -0.346 0.000 0.897 27 R CB 1.686 31.443 30.300 -0.905 0.000 1.184 27 R HN 0.381 nan 8.270 nan 0.000 0.440 28 V N 5.578 125.352 119.914 -0.235 0.000 2.487 28 V HA 0.461 4.580 4.120 -0.003 0.000 0.298 28 V C -1.060 174.905 176.094 -0.216 0.000 1.028 28 V CA -0.736 61.486 62.300 -0.130 0.000 0.860 28 V CB 1.579 33.347 31.823 -0.090 0.000 0.991 28 V HN 0.664 nan 8.190 nan 0.000 0.427 29 Y N 3.212 123.553 120.300 0.069 0.000 2.385 29 Y HA 0.773 5.325 4.550 0.003 0.000 0.341 29 Y C 0.446 176.406 175.900 0.100 0.000 0.965 29 Y CA -0.097 58.061 58.100 0.097 0.000 1.180 29 Y CB 1.671 40.160 38.460 0.048 0.000 1.139 29 Y HN 0.868 nan 8.280 nan 0.000 0.502 30 A N 2.224 125.200 122.820 0.261 0.000 2.581 30 A HA 0.477 4.796 4.320 -0.003 0.000 0.294 30 A C -1.485 176.298 177.584 0.332 0.000 1.035 30 A CA -1.147 51.001 52.037 0.186 0.000 0.684 30 A CB 0.765 19.762 19.000 -0.005 0.000 1.282 30 A HN 0.622 nan 8.150 nan 0.000 0.417 31 D N 0.211 120.744 120.400 0.222 0.000 2.506 31 D HA 0.391 5.030 4.640 -0.003 0.000 0.272 31 D C 1.161 177.619 176.300 0.263 0.000 1.214 31 D CA 0.156 54.315 54.000 0.265 0.000 1.067 31 D CB 0.341 41.226 40.800 0.143 0.000 1.117 31 D HN 0.551 nan 8.370 nan 0.000 0.578 32 E N -0.058 120.315 120.200 0.289 0.000 2.204 32 E HA -0.120 4.228 4.350 -0.003 0.000 0.194 32 E C 1.786 178.408 176.600 0.037 0.000 0.989 32 E CA 0.742 57.266 56.400 0.206 0.000 0.824 32 E CB -0.715 29.137 29.700 0.254 0.000 0.756 32 E HN 0.321 nan 8.360 nan 0.000 0.477 33 V N 1.859 121.801 119.914 0.046 0.000 2.270 33 V HA -0.217 3.902 4.120 -0.003 0.000 0.245 33 V C 2.736 178.820 176.094 -0.017 0.000 1.043 33 V CA 1.525 63.833 62.300 0.013 0.000 1.014 33 V CB -0.589 31.250 31.823 0.026 0.000 0.645 33 V HN 0.157 nan 8.190 nan 0.000 0.447 34 L N -0.653 120.565 121.223 -0.008 0.000 2.083 34 L HA -0.182 4.156 4.340 -0.003 0.000 0.209 34 L C 2.449 179.265 176.870 -0.089 0.000 1.083 34 L CA 1.202 56.026 54.840 -0.026 0.000 0.752 34 L CB -0.566 41.495 42.059 0.003 0.000 0.899 34 L HN 0.340 nan 8.230 nan 0.000 0.433 35 L N 0.150 121.270 121.223 -0.171 0.000 2.042 35 L HA -0.231 4.107 4.340 -0.003 0.000 0.210 35 L C 2.460 179.175 176.870 -0.257 0.000 1.076 35 L CA 1.744 56.376 54.840 -0.347 0.000 0.749 35 L CB -0.422 41.190 42.059 -0.745 0.000 0.893 35 L HN 0.154 nan 8.230 nan 0.000 0.432 36 E N 0.219 120.310 120.200 -0.180 0.000 2.085 36 E HA -0.255 4.094 4.350 -0.003 0.000 0.194 36 E C 2.118 178.663 176.600 -0.091 0.000 0.994 36 E CA 1.708 58.034 56.400 -0.124 0.000 0.801 36 E CB -0.137 29.519 29.700 -0.074 0.000 0.743 36 E HN 0.527 nan 8.360 nan 0.000 0.453 37 K N -0.531 119.826 120.400 -0.072 0.000 2.147 37 K HA -0.066 4.252 4.320 -0.003 0.000 0.205 37 K C 2.107 178.680 176.600 -0.044 0.000 1.049 37 K CA 1.475 57.733 56.287 -0.048 0.000 0.936 37 K CB -0.168 32.312 32.500 -0.033 0.000 0.722 37 K HN 0.241 nan 8.250 nan 0.000 0.446 38 M N 0.636 120.196 119.600 -0.066 0.000 2.476 38 M HA -0.094 4.384 4.480 -0.003 0.000 0.262 38 M C 1.419 177.682 176.300 -0.062 0.000 1.079 38 M CA 1.332 56.601 55.300 -0.052 0.000 1.104 38 M CB -0.008 32.543 32.600 -0.082 0.000 1.409 38 M HN 0.020 nan 8.290 nan 0.000 0.467 39 K N -0.100 120.250 120.400 -0.083 0.000 2.361 39 K HA 0.043 4.361 4.320 -0.003 0.000 0.196 39 K C 1.150 177.720 176.600 -0.049 0.000 1.039 39 K CA 0.373 56.614 56.287 -0.077 0.000 1.001 39 K CB 0.033 32.475 32.500 -0.097 0.000 0.795 39 K HN 0.290 nan 8.250 nan 0.000 0.495 40 N N 1.624 120.301 118.700 -0.039 0.000 2.457 40 N HA -0.076 4.662 4.740 -0.003 0.000 0.180 40 N C 0.196 175.697 175.510 -0.014 0.000 1.050 40 N CA 0.983 54.017 53.050 -0.026 0.000 0.906 40 N CB 0.064 38.537 38.487 -0.024 0.000 0.968 40 N HN 0.417 nan 8.380 nan 0.000 0.445 41 D N -1.390 119.007 120.400 -0.005 0.000 2.784 41 D HA 0.233 4.872 4.640 -0.003 0.000 0.256 41 D C 0.233 176.536 176.300 0.005 0.000 1.129 41 D CA -0.610 53.395 54.000 0.008 0.000 1.102 41 D CB 0.473 41.293 40.800 0.033 0.000 1.330 41 D HN -0.216 nan 8.370 nan 0.000 0.626 42 R N -0.584 119.924 120.500 0.013 0.000 2.480 42 R HA 0.225 4.563 4.340 -0.003 0.000 0.277 42 R C 0.801 177.107 176.300 0.011 0.000 1.008 42 R CA -0.070 56.034 56.100 0.007 0.000 1.090 42 R CB -0.320 29.982 30.300 0.003 0.000 1.234 42 R HN 0.416 nan 8.270 nan 0.000 0.549 43 T N 1.696 116.260 114.554 0.017 0.000 2.635 43 T HA -0.172 4.176 4.350 -0.003 0.000 0.267 43 T C 1.795 176.500 174.700 0.008 0.000 1.040 43 T CA 1.330 63.443 62.100 0.021 0.000 1.156 43 T CB -0.041 68.843 68.868 0.026 0.000 0.863 43 T HN 0.251 nan 8.240 nan 0.000 0.430 44 L N 0.302 121.520 121.223 -0.008 0.000 2.141 44 L HA -0.051 4.287 4.340 -0.003 0.000 0.209 44 L C 2.655 179.541 176.870 0.028 0.000 1.094 44 L CA 1.207 56.044 54.840 -0.006 0.000 0.763 44 L CB -0.558 41.477 42.059 -0.040 0.000 0.908 44 L HN 0.234 nan 8.230 nan 0.000 0.437 45 E N 0.042 120.257 120.200 0.026 0.000 2.107 45 E HA -0.189 4.159 4.350 -0.003 0.000 0.191 45 E C 2.259 178.867 176.600 0.014 0.000 0.982 45 E CA 0.865 57.292 56.400 0.045 0.000 0.809 45 E CB -0.058 29.660 29.700 0.030 0.000 0.756 45 E HN 0.443 nan 8.360 nan 0.000 0.459 46 Q N -0.102 119.695 119.800 -0.004 0.000 2.119 46 Q HA -0.075 4.264 4.340 -0.003 0.000 0.201 46 Q C 2.214 178.174 176.000 -0.068 0.000 0.972 46 Q CA 1.261 57.044 55.803 -0.035 0.000 0.847 46 Q CB -0.159 28.574 28.738 -0.008 0.000 0.903 46 Q HN 0.294 nan 8.270 nan 0.000 0.433 47 A N 0.455 123.259 122.820 -0.027 0.000 1.930 47 A HA -0.158 4.161 4.320 -0.003 0.000 0.217 47 A C 2.207 179.777 177.584 -0.024 0.000 1.175 47 A CA 1.713 53.734 52.037 -0.027 0.000 0.627 47 A CB -0.723 18.286 19.000 0.015 0.000 0.815 47 A HN 0.282 nan 8.150 nan 0.000 0.443 48 T N 0.810 115.373 114.554 0.015 0.000 2.746 48 T HA -0.124 4.224 4.350 -0.003 0.000 0.267 48 T C 1.812 176.481 174.700 -0.053 0.000 1.039 48 T CA 1.537 63.653 62.100 0.026 0.000 1.142 48 T CB -0.373 68.567 68.868 0.119 0.000 0.866 48 T HN 0.511 nan 8.240 nan 0.000 0.444 49 N N 0.944 119.600 118.700 -0.073 0.000 2.188 49 N HA -0.031 4.707 4.740 -0.003 0.000 0.184 49 N C 1.938 177.360 175.510 -0.148 0.000 1.018 49 N CA 0.597 53.587 53.050 -0.101 0.000 0.858 49 N CB -0.727 37.703 38.487 -0.095 0.000 0.989 49 N HN 0.195 nan 8.380 nan 0.000 0.426 50 V N 1.592 121.363 119.914 -0.238 0.000 2.469 50 V HA -0.164 3.955 4.120 -0.003 0.000 0.251 50 V C 2.193 178.213 176.094 -0.124 0.000 1.064 50 V CA 1.651 63.741 62.300 -0.350 0.000 1.066 50 V CB -0.919 30.587 31.823 -0.529 0.000 0.667 50 V HN 0.297 nan 8.190 nan 0.000 0.461 51 A N -0.924 121.849 122.820 -0.079 0.000 2.216 51 A HA -0.053 4.265 4.320 -0.003 0.000 0.214 51 A C 2.059 179.628 177.584 -0.025 0.000 1.160 51 A CA 1.249 53.270 52.037 -0.027 0.000 0.725 51 A CB -0.459 18.538 19.000 -0.006 0.000 0.784 51 A HN 0.561 nan 8.150 nan 0.000 0.472 52 M N -0.573 119.003 119.600 -0.040 0.000 2.509 52 M HA 0.226 4.705 4.480 -0.003 0.000 0.250 52 M C -0.179 176.115 176.300 -0.010 0.000 1.132 52 M CA 0.194 55.473 55.300 -0.035 0.000 1.080 52 M CB -0.017 32.553 32.600 -0.050 0.000 1.408 52 M HN 0.188 nan 8.290 nan 0.000 0.484 53 L N 1.799 123.034 121.223 0.020 0.000 2.416 53 L HA 0.221 4.559 4.340 -0.003 0.000 0.272 53 L C -2.143 174.764 176.870 0.061 0.000 1.161 53 L CA -1.992 52.862 54.840 0.023 0.000 0.845 53 L CB -0.167 41.889 42.059 -0.003 0.000 1.119 53 L HN -0.227 nan 8.230 nan 0.000 0.464 54 P HA 0.032 nan 4.420 nan 0.000 0.266 54 P C 0.707 178.035 177.300 0.046 0.000 1.195 54 P CA 0.554 63.649 63.100 -0.009 0.000 0.768 54 P CB 0.711 32.384 31.700 -0.045 0.000 0.838 55 G N 2.495 111.286 108.800 -0.016 0.000 2.162 55 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.260 55 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.260 55 G C 0.240 175.040 174.900 -0.166 0.000 0.976 55 G CA -0.189 44.859 45.100 -0.086 0.000 0.655 55 G HN 0.610 nan 8.290 nan 0.000 0.533 56 I N 0.472 121.006 120.570 -0.060 0.000 2.634 56 I HA 0.527 4.695 4.170 -0.003 0.000 0.284 56 I C 0.329 176.226 176.117 -0.367 0.000 1.124 56 I CA -0.768 60.367 61.300 -0.275 0.000 1.417 56 I CB 0.355 38.245 38.000 -0.182 0.000 1.396 56 I HN 0.130 nan 8.210 nan 0.000 0.571 57 Y N 7.172 127.335 120.300 -0.229 0.000 2.446 57 Y HA 0.361 4.908 4.550 -0.004 0.000 0.338 57 Y C 0.874 176.731 175.900 -0.072 0.000 1.055 57 Y CA -0.551 57.497 58.100 -0.086 0.000 1.101 57 Y CB 1.515 39.984 38.460 0.016 0.000 1.221 57 Y HN 0.624 nan 8.280 nan 0.000 0.460 58 K N 0.184 120.603 120.400 0.032 0.000 10.660 58 K HA -0.327 3.992 4.320 -0.003 0.000 0.523 58 K C -0.955 175.403 176.600 -0.404 0.000 0.379 58 K CA 2.412 58.460 56.287 -0.397 0.000 1.947 58 K CB -1.391 30.557 32.500 -0.920 0.000 0.758 58 K HN 0.816 nan 8.250 nan 0.000 1.189 59 Y N -1.903 118.492 120.300 0.158 0.000 2.765 59 Y HA 0.360 4.908 4.550 -0.004 0.000 0.350 59 Y C -0.676 175.266 175.900 0.071 0.000 1.196 59 Y CA -1.112 57.041 58.100 0.089 0.000 1.119 59 Y CB 0.320 38.831 38.460 0.086 0.000 1.368 59 Y HN 0.151 nan 8.280 nan 0.000 0.463 60 S N 1.268 117.122 115.700 0.258 0.000 2.584 60 S HA 0.813 5.282 4.470 -0.003 0.000 0.273 60 S C -0.549 174.182 174.600 0.218 0.000 1.311 60 S CA -0.472 57.817 58.200 0.149 0.000 1.034 60 S CB 0.817 64.041 63.200 0.041 0.000 0.939 60 S HN 0.587 nan 8.310 nan 0.000 0.513 61 I N 1.575 122.276 120.570 0.218 0.000 2.509 61 I HA 0.453 4.621 4.170 -0.003 0.000 0.293 61 I C -1.082 175.149 176.117 0.190 0.000 1.020 61 I CA -1.028 60.409 61.300 0.228 0.000 1.088 61 I CB 2.212 40.417 38.000 0.341 0.000 1.267 61 I HN 0.399 nan 8.210 nan 0.000 0.430 62 V N 6.119 126.134 119.914 0.169 0.000 2.487 62 V HA 0.431 4.549 4.120 -0.003 0.000 0.298 62 V C 0.246 176.465 176.094 0.209 0.000 1.028 62 V CA -0.678 61.711 62.300 0.149 0.000 0.860 62 V CB 1.672 33.541 31.823 0.078 0.000 0.991 62 V HN 0.602 nan 8.190 nan 0.000 0.427 63 M N 5.311 125.023 119.600 0.187 0.000 2.197 63 M HA 0.345 4.823 4.480 -0.003 0.000 0.305 63 M C -1.342 175.048 176.300 0.150 0.000 1.162 63 M CA -2.302 53.105 55.300 0.178 0.000 1.099 63 M CB 0.470 33.145 32.600 0.125 0.000 1.430 63 M HN 0.244 nan 8.290 nan 0.000 0.481 64 P HA -0.161 nan 4.420 nan 0.000 0.217 64 P C 0.174 177.522 177.300 0.081 0.000 1.148 64 P CA 1.404 64.562 63.100 0.097 0.000 0.828 64 P CB -0.077 31.669 31.700 0.077 0.000 0.783 65 D N -1.625 118.834 120.400 0.099 0.000 2.325 65 D HA 0.113 4.752 4.640 -0.003 0.000 0.225 65 D C 0.990 177.423 176.300 0.222 0.000 1.096 65 D CA -0.338 53.738 54.000 0.127 0.000 0.844 65 D CB -1.104 39.768 40.800 0.120 0.000 0.925 65 D HN -0.041 nan 8.370 nan 0.000 0.513 66 G N 0.261 109.167 108.800 0.176 0.000 2.321 66 G HA2 0.353 4.311 3.960 -0.003 0.000 0.237 66 G HA3 0.353 4.311 3.960 -0.003 0.000 0.237 66 G C -0.263 174.780 174.900 0.238 0.000 1.282 66 G CA 0.038 45.246 45.100 0.180 0.000 0.886 66 G HN 0.657 nan 8.290 nan 0.000 0.528 67 H N -1.710 117.403 119.070 0.071 0.000 2.990 67 H HA 0.534 5.088 4.556 -0.003 0.000 0.336 67 H C -0.253 175.118 175.328 0.071 0.000 1.306 67 H CA -1.131 54.949 56.048 0.053 0.000 1.118 67 H CB 0.942 30.730 29.762 0.043 0.000 1.856 67 H HN 0.492 nan 8.280 nan 0.000 0.538 68 Q N 0.696 120.565 119.800 0.114 0.000 2.286 68 Q HA 0.361 4.699 4.340 -0.003 0.000 0.290 68 Q C -0.285 175.727 176.000 0.020 0.000 1.049 68 Q CA 0.756 56.593 55.803 0.056 0.000 0.923 68 Q CB 0.365 29.149 28.738 0.076 0.000 1.183 68 Q HN 0.809 nan 8.270 nan 0.000 0.383 69 G N 2.211 111.036 108.800 0.043 0.000 3.222 69 G HA2 0.195 4.153 3.960 -0.003 0.000 0.263 69 G HA3 0.195 4.153 3.960 -0.003 0.000 0.263 69 G C -2.025 172.985 174.900 0.183 0.000 1.312 69 G CA -0.713 44.448 45.100 0.102 0.000 0.934 69 G HN 0.664 nan 8.290 nan 0.000 0.577 70 Y N 1.253 121.644 120.300 0.152 0.000 2.556 70 Y HA 0.422 4.971 4.550 -0.002 0.000 0.352 70 Y C 1.262 177.282 175.900 0.201 0.000 1.006 70 Y CA 1.179 59.391 58.100 0.187 0.000 1.277 70 Y CB 0.334 38.966 38.460 0.286 0.000 1.136 70 Y HN 1.237 nan 8.280 nan 0.000 0.523 71 G N 4.645 113.388 108.800 -0.094 0.000 5.426 71 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.297 71 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.297 71 G C -0.105 174.928 174.900 0.223 0.000 1.422 71 G CA 0.332 45.471 45.100 0.064 0.000 0.938 71 G HN 0.486 nan 8.290 nan 0.000 0.754 72 F N 3.954 123.940 119.950 0.061 0.000 2.377 72 F HA 0.613 5.140 4.527 -0.000 0.000 0.328 72 F C -1.692 174.140 175.800 0.053 0.000 1.094 72 F CA -2.211 55.828 58.000 0.065 0.000 1.093 72 F CB 1.002 40.058 39.000 0.093 0.000 1.214 72 F HN 0.041 nan 8.300 nan 0.000 0.518 73 P HA 0.189 nan 4.420 nan 0.000 0.274 73 P C -0.359 176.994 177.300 0.088 0.000 1.231 73 P CA -0.088 63.075 63.100 0.105 0.000 0.790 73 P CB 0.567 32.316 31.700 0.081 0.000 0.951 74 I N 1.354 121.878 120.570 -0.075 0.000 2.474 74 I HA 0.367 4.535 4.170 -0.003 0.000 0.287 74 I C 1.119 177.215 176.117 -0.036 0.000 1.048 74 I CA 0.496 61.727 61.300 -0.116 0.000 1.383 74 I CB -0.043 37.707 38.000 -0.416 0.000 1.412 74 I HN 0.637 nan 8.210 nan 0.000 0.531 75 G N 3.941 112.793 108.800 0.086 0.000 2.520 75 G HA2 0.060 4.019 3.960 -0.003 0.000 0.264 75 G HA3 0.060 4.019 3.960 -0.003 0.000 0.264 75 G C -0.168 174.817 174.900 0.142 0.000 1.140 75 G CA -0.274 44.910 45.100 0.140 0.000 1.012 75 G HN 1.174 nan 8.290 nan 0.000 0.511 76 G N -1.973 106.921 108.800 0.156 0.000 2.660 76 G HA2 0.881 4.840 3.960 -0.003 0.000 0.290 76 G HA3 0.881 4.840 3.960 -0.003 0.000 0.290 76 G C -1.246 173.781 174.900 0.212 0.000 1.432 76 G CA 0.039 45.252 45.100 0.189 0.000 0.807 76 G HN 1.240 nan 8.290 nan 0.000 0.485 77 V N -0.602 119.450 119.914 0.231 0.000 2.971 77 V HA 0.907 5.025 4.120 -0.003 0.000 0.309 77 V C -0.214 175.997 176.094 0.195 0.000 1.130 77 V CA -0.331 62.102 62.300 0.221 0.000 0.964 77 V CB 1.679 33.635 31.823 0.220 0.000 1.029 77 V HN 1.814 nan 8.190 nan 0.000 0.427 78 A N 2.508 125.391 122.820 0.105 0.000 2.488 78 A HA 0.950 5.268 4.320 -0.003 0.000 0.295 78 A C -0.767 176.524 177.584 -0.489 0.000 1.045 78 A CA -0.040 51.884 52.037 -0.188 0.000 0.703 78 A CB 1.755 20.702 19.000 -0.089 0.000 1.271 78 A HN 1.755 nan 8.150 nan 0.000 0.400 79 A N 1.727 124.000 122.820 -0.912 0.000 2.318 79 A HA 0.856 5.174 4.320 -0.003 0.000 0.317 79 A C -1.116 175.948 177.584 -0.867 0.000 1.159 79 A CA -0.336 51.167 52.037 -0.890 0.000 0.799 79 A CB 0.224 18.299 19.000 -1.541 0.000 1.194 79 A HN 0.809 nan 8.150 nan 0.000 0.479 80 F N 0.540 120.410 119.950 -0.133 0.000 2.508 80 F HA 0.369 4.894 4.527 -0.002 0.000 0.325 80 F C 0.405 176.203 175.800 -0.003 0.000 1.090 80 F CA -0.728 57.217 58.000 -0.091 0.000 0.945 80 F CB 1.565 40.501 39.000 -0.108 0.000 1.156 80 F HN 0.691 nan 8.300 nan 0.000 0.463 81 D N 1.088 121.612 120.400 0.206 0.000 2.533 81 D HA 0.075 4.713 4.640 -0.003 0.000 0.236 81 D C 1.216 177.626 176.300 0.183 0.000 1.137 81 D CA 0.129 54.296 54.000 0.278 0.000 0.867 81 D CB 1.205 42.113 40.800 0.179 0.000 1.170 81 D HN 0.429 nan 8.370 nan 0.000 0.474 82 V N 1.898 121.920 119.914 0.180 0.000 2.594 82 V HA -0.146 3.973 4.120 -0.003 0.000 0.253 82 V C 1.882 178.156 176.094 0.301 0.000 1.069 82 V CA 1.532 63.985 62.300 0.254 0.000 1.082 82 V CB -0.568 31.421 31.823 0.276 0.000 0.680 82 V HN 0.598 nan 8.190 nan 0.000 0.469 83 K N 0.470 120.978 120.400 0.180 0.000 2.141 83 K HA 0.054 4.373 4.320 -0.003 0.000 0.202 83 K C 1.888 178.537 176.600 0.081 0.000 1.045 83 K CA 1.097 57.454 56.287 0.116 0.000 0.971 83 K CB 0.098 32.651 32.500 0.088 0.000 0.795 83 K HN 0.619 nan 8.250 nan 0.000 0.459 84 E N 0.160 120.405 120.200 0.074 0.000 2.476 84 E HA 0.116 4.465 4.350 -0.003 0.000 0.196 84 E C 0.402 177.013 176.600 0.018 0.000 1.029 84 E CA -0.328 56.090 56.400 0.030 0.000 0.896 84 E CB 1.205 30.912 29.700 0.011 0.000 1.012 84 E HN 0.270 nan 8.360 nan 0.000 0.475 85 G N 1.099 109.936 108.800 0.062 0.000 2.613 85 G HA2 0.496 4.455 3.960 -0.003 0.000 0.303 85 G HA3 0.496 4.455 3.960 -0.003 0.000 0.303 85 G C -0.136 174.747 174.900 -0.029 0.000 1.312 85 G CA -0.462 44.669 45.100 0.052 0.000 1.036 85 G HN 0.053 nan 8.290 nan 0.000 0.513 86 V N -2.266 117.512 119.914 -0.227 0.000 3.103 86 V HA 0.826 4.945 4.120 -0.003 0.000 0.318 86 V C -0.435 175.499 176.094 -0.267 0.000 1.114 86 V CA -1.213 60.924 62.300 -0.273 0.000 1.020 86 V CB 1.768 33.358 31.823 -0.388 0.000 1.085 86 V HN 0.789 nan 8.190 nan 0.000 0.446 87 I N 1.326 121.850 120.570 -0.076 0.000 2.545 87 I HA 0.748 4.916 4.170 -0.003 0.000 0.292 87 I C -0.577 175.575 176.117 0.058 0.000 1.040 87 I CA -0.164 61.212 61.300 0.127 0.000 1.068 87 I CB 2.069 40.205 38.000 0.225 0.000 1.251 87 I HN 0.923 nan 8.210 nan 0.000 0.424 88 S N 7.303 123.127 115.700 0.207 0.000 2.733 88 S HA 0.538 5.006 4.470 -0.003 0.000 0.294 88 S C -2.252 172.254 174.600 -0.156 0.000 1.149 88 S CA -1.378 56.795 58.200 -0.045 0.000 1.034 88 S CB 1.742 64.951 63.200 0.014 0.000 1.015 88 S HN 0.471 nan 8.310 nan 0.000 0.486 89 P HA 0.016 nan 4.420 nan 0.000 0.219 89 P C 1.445 178.591 177.300 -0.256 0.000 1.146 89 P CA 1.055 63.872 63.100 -0.471 0.000 0.808 89 P CB 0.012 31.295 31.700 -0.696 0.000 0.779 90 G N -0.591 108.123 108.800 -0.145 0.000 2.484 90 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.218 90 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.218 90 G C 1.564 176.287 174.900 -0.295 0.000 1.130 90 G CA 0.640 45.750 45.100 0.016 0.000 0.784 90 G HN 0.379 nan 8.290 nan 0.000 0.543 91 G N 0.052 108.316 108.800 -0.894 0.000 2.920 91 G HA2 0.180 4.138 3.960 -0.003 0.000 0.208 91 G HA3 0.180 4.138 3.960 -0.003 0.000 0.208 91 G C 1.354 176.006 174.900 -0.413 0.000 1.159 91 G CA 0.180 44.306 45.100 -1.623 0.000 0.784 91 G HN 0.450 nan 8.290 nan 0.000 0.535 92 I N -0.810 119.644 120.570 -0.192 0.000 3.718 92 I HA 0.370 4.539 4.170 -0.003 0.000 0.297 92 I C 1.216 177.314 176.117 -0.032 0.000 1.220 92 I CA 0.856 62.119 61.300 -0.062 0.000 1.381 92 I CB 0.680 38.677 38.000 -0.005 0.000 1.238 92 I HN 0.245 nan 8.210 nan 0.000 0.448 93 G N -0.330 108.440 108.800 -0.051 0.000 2.587 93 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.686 93 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.686 93 G C -0.363 174.524 174.900 -0.020 0.000 1.236 93 G CA -0.591 44.516 45.100 0.012 0.000 0.820 93 G HN 0.021 nan 8.290 nan 0.000 0.645 94 Y N 0.265 120.547 120.300 -0.029 0.000 2.242 94 Y HA 0.064 4.612 4.550 -0.003 0.000 0.291 94 Y C 2.050 177.962 175.900 0.020 0.000 1.137 94 Y CA 1.744 59.803 58.100 -0.068 0.000 1.181 94 Y CB 0.351 38.758 38.460 -0.089 0.000 0.989 94 Y HN 0.522 nan 8.280 nan 0.000 0.527 95 D N 0.862 121.397 120.400 0.224 0.000 2.522 95 D HA 0.133 4.771 4.640 -0.003 0.000 0.218 95 D C -0.527 175.812 176.300 0.064 0.000 1.149 95 D CA -0.084 54.011 54.000 0.159 0.000 0.981 95 D CB -0.671 40.241 40.800 0.187 0.000 1.041 95 D HN 0.109 nan 8.370 nan 0.000 0.518 96 I N 2.972 123.551 120.570 0.016 0.000 2.668 96 I HA -0.096 4.072 4.170 -0.003 0.000 0.285 96 I C 1.245 177.278 176.117 -0.139 0.000 1.168 96 I CA 0.059 61.322 61.300 -0.062 0.000 1.424 96 I CB 0.147 38.099 38.000 -0.080 0.000 1.377 96 I HN 0.376 nan 8.210 nan 0.000 0.560 97 N N 3.800 122.376 118.700 -0.206 0.000 2.747 97 N HA -0.210 4.528 4.740 -0.003 0.000 0.249 97 N C -0.261 175.078 175.510 -0.284 0.000 1.107 97 N CA 0.430 53.262 53.050 -0.363 0.000 0.707 97 N CB -1.245 36.844 38.487 -0.664 0.000 1.054 97 N HN 0.750 nan 8.380 nan 0.000 0.555 98 C N 0.060 119.294 119.300 -0.111 0.000 2.633 98 C HA 0.648 5.106 4.460 -0.003 0.000 0.415 98 C C 1.249 176.203 174.990 -0.060 0.000 1.393 98 C CA 0.756 59.781 59.018 0.012 0.000 1.700 98 C CB -0.679 27.166 27.740 0.176 0.000 2.541 98 C HN 0.652 nan 8.230 nan 0.000 0.603 99 G N 4.033 112.788 108.800 -0.075 0.000 2.606 99 G HA2 0.646 4.604 3.960 -0.003 0.000 0.300 99 G HA3 0.646 4.604 3.960 -0.003 0.000 0.300 99 G C -1.827 172.973 174.900 -0.166 0.000 1.360 99 G CA -0.297 44.619 45.100 -0.307 0.000 0.783 99 G HN 0.917 nan 8.290 nan 0.000 0.484 100 V N -0.077 119.662 119.914 -0.292 0.000 2.789 100 V HA 0.760 4.878 4.120 -0.003 0.000 0.311 100 V C -0.180 175.862 176.094 -0.086 0.000 1.073 100 V CA -0.858 61.362 62.300 -0.134 0.000 0.921 100 V CB 1.916 33.690 31.823 -0.082 0.000 1.009 100 V HN 0.882 nan 8.190 nan 0.000 0.426 101 R N 2.886 123.362 120.500 -0.040 0.000 2.599 101 R HA 0.770 5.109 4.340 -0.003 0.000 0.295 101 R C -1.882 174.424 176.300 0.010 0.000 0.963 101 R CA -0.700 55.384 56.100 -0.027 0.000 0.883 101 R CB 1.792 32.069 30.300 -0.038 0.000 1.171 101 R HN 0.616 nan 8.270 nan 0.000 0.450 102 L N 5.884 127.119 121.223 0.021 0.000 2.313 102 L HA 0.563 4.902 4.340 -0.003 0.000 0.283 102 L C -1.383 175.497 176.870 0.017 0.000 1.013 102 L CA -0.330 54.531 54.840 0.035 0.000 0.816 102 L CB 1.587 43.673 42.059 0.044 0.000 1.236 102 L HN 0.639 nan 8.230 nan 0.000 0.419 103 I N 4.798 125.369 120.570 0.002 0.000 2.406 103 I HA 0.490 4.659 4.170 -0.003 0.000 0.290 103 I C -0.179 175.912 176.117 -0.042 0.000 0.999 103 I CA -0.821 60.459 61.300 -0.034 0.000 1.124 103 I CB 1.556 39.508 38.000 -0.080 0.000 1.289 103 I HN 0.662 nan 8.210 nan 0.000 0.441 104 R N 3.636 124.124 120.500 -0.021 0.000 2.549 104 R HA 0.847 5.185 4.340 -0.003 0.000 0.259 104 R C -0.147 176.114 176.300 -0.065 0.000 1.095 104 R CA -0.583 55.502 56.100 -0.024 0.000 1.148 104 R CB 0.714 31.036 30.300 0.037 0.000 1.181 104 R HN 0.655 nan 8.270 nan 0.000 0.571 105 T N -2.967 111.557 114.554 -0.051 0.000 2.816 105 T HA 0.338 4.687 4.350 -0.003 0.000 0.299 105 T C -0.347 174.386 174.700 0.055 0.000 1.230 105 T CA -1.089 60.977 62.100 -0.057 0.000 1.007 105 T CB 1.470 70.247 68.868 -0.151 0.000 1.289 105 T HN 0.473 nan 8.240 nan 0.000 0.508 106 N N 0.197 118.937 118.700 0.066 0.000 2.322 106 N HA 0.298 5.037 4.740 -0.003 0.000 0.194 106 N C -0.123 175.464 175.510 0.130 0.000 1.126 106 N CA -0.020 53.111 53.050 0.136 0.000 0.845 106 N CB -0.322 38.210 38.487 0.075 0.000 0.976 106 N HN 0.534 nan 8.380 nan 0.000 0.475 107 L N 0.236 121.497 121.223 0.063 0.000 2.379 107 L HA 0.370 4.709 4.340 -0.003 0.000 0.269 107 L C 0.921 177.844 176.870 0.087 0.000 1.084 107 L CA -0.537 54.317 54.840 0.023 0.000 0.802 107 L CB 1.262 43.258 42.059 -0.104 0.000 1.175 107 L HN 0.012 nan 8.230 nan 0.000 0.448 108 T N -3.418 111.188 114.554 0.087 0.000 2.950 108 T HA 0.220 4.568 4.350 -0.003 0.000 0.288 108 T C 0.701 175.432 174.700 0.051 0.000 1.035 108 T CA -0.742 61.420 62.100 0.102 0.000 1.028 108 T CB 1.785 70.745 68.868 0.153 0.000 1.109 108 T HN 0.724 nan 8.240 nan 0.000 0.514 109 E N 0.675 120.899 120.200 0.041 0.000 2.097 109 E HA -0.267 4.081 4.350 -0.003 0.000 0.196 109 E C 1.969 178.597 176.600 0.047 0.000 1.000 109 E CA 1.566 57.989 56.400 0.039 0.000 0.804 109 E CB -0.112 29.603 29.700 0.025 0.000 0.740 109 E HN 0.741 nan 8.360 nan 0.000 0.454 110 K N 0.423 120.851 120.400 0.047 0.000 2.103 110 K HA -0.222 4.097 4.320 -0.003 0.000 0.207 110 K C 1.811 178.443 176.600 0.053 0.000 1.048 110 K CA 1.934 58.248 56.287 0.045 0.000 0.930 110 K CB -0.002 32.524 32.500 0.043 0.000 0.716 110 K HN 0.195 nan 8.250 nan 0.000 0.444 111 E N -0.380 119.851 120.200 0.052 0.000 2.285 111 E HA -0.081 4.268 4.350 -0.003 0.000 0.194 111 E C 1.671 178.337 176.600 0.109 0.000 0.997 111 E CA 0.800 57.234 56.400 0.057 0.000 0.845 111 E CB 0.432 30.135 29.700 0.005 0.000 0.782 111 E HN 0.119 nan 8.360 nan 0.000 0.491 112 V N 0.405 120.382 119.914 0.104 0.000 3.125 112 V HA -0.017 4.102 4.120 -0.003 0.000 0.249 112 V C 2.135 178.320 176.094 0.152 0.000 1.113 112 V CA 0.405 62.827 62.300 0.203 0.000 1.106 112 V CB -0.131 31.791 31.823 0.166 0.000 0.768 112 V HN 0.129 nan 8.190 nan 0.000 0.468 113 R N 0.982 121.536 120.500 0.090 0.000 2.113 113 R HA -0.201 4.138 4.340 -0.003 0.000 0.244 113 R C -0.254 176.064 176.300 0.030 0.000 1.142 113 R CA 2.385 58.515 56.100 0.051 0.000 0.953 113 R CB -1.343 28.979 30.300 0.037 0.000 0.860 113 R HN 0.425 nan 8.270 nan 0.000 0.438 114 P HA -0.106 nan 4.420 nan 0.000 0.225 114 P C 0.145 177.433 177.300 -0.021 0.000 1.148 114 P CA 1.312 64.418 63.100 0.011 0.000 0.779 114 P CB 0.082 31.800 31.700 0.031 0.000 0.780 115 R N -1.879 118.618 120.500 -0.006 0.000 2.565 115 R HA 0.220 4.558 4.340 -0.003 0.000 0.347 115 R C 1.364 177.593 176.300 -0.118 0.000 1.010 115 R CA -0.375 55.670 56.100 -0.092 0.000 1.126 115 R CB -0.336 29.871 30.300 -0.156 0.000 1.331 115 R HN 0.138 nan 8.270 nan 0.000 0.552 116 I N 2.406 122.934 120.570 -0.070 0.000 2.194 116 I HA -0.316 3.852 4.170 -0.003 0.000 0.246 116 I C 1.768 177.782 176.117 -0.172 0.000 1.093 116 I CA 1.850 63.111 61.300 -0.065 0.000 1.355 116 I CB 0.088 38.079 38.000 -0.016 0.000 1.046 116 I HN 0.028 nan 8.210 nan 0.000 0.413 117 K N -0.505 119.673 120.400 -0.370 0.000 2.057 117 K HA -0.215 4.103 4.320 -0.003 0.000 0.206 117 K C 2.139 178.557 176.600 -0.303 0.000 1.050 117 K CA 1.555 57.443 56.287 -0.664 0.000 0.935 117 K CB -0.366 31.643 32.500 -0.819 0.000 0.715 117 K HN 0.493 nan 8.250 nan 0.000 0.439 118 Q N 1.062 120.722 119.800 -0.233 0.000 2.124 118 Q HA -0.182 4.156 4.340 -0.003 0.000 0.202 118 Q C 2.185 178.090 176.000 -0.158 0.000 0.977 118 Q CA 1.106 56.804 55.803 -0.175 0.000 0.850 118 Q CB 0.002 28.622 28.738 -0.197 0.000 0.901 118 Q HN 0.199 nan 8.270 nan 0.000 0.429 119 L N 0.063 121.169 121.223 -0.195 0.000 1.994 119 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 119 L C 2.210 179.050 176.870 -0.050 0.000 1.071 119 L CA 1.529 56.246 54.840 -0.204 0.000 0.745 119 L CB -0.706 41.208 42.059 -0.242 0.000 0.892 119 L HN 0.075 nan 8.230 nan 0.000 0.431 120 V N 0.052 119.996 119.914 0.051 0.000 2.407 120 V HA -0.270 3.849 4.120 -0.003 0.000 0.248 120 V C 2.245 178.460 176.094 0.203 0.000 1.055 120 V CA 1.888 64.297 62.300 0.181 0.000 1.049 120 V CB -0.851 31.175 31.823 0.339 0.000 0.662 120 V HN 0.472 nan 8.190 nan 0.000 0.455 121 D N -0.204 120.293 120.400 0.162 0.000 2.144 121 D HA -0.120 4.518 4.640 -0.003 0.000 0.200 121 D C 2.290 178.679 176.300 0.147 0.000 0.978 121 D CA 1.744 55.832 54.000 0.147 0.000 0.833 121 D CB -0.322 40.522 40.800 0.073 0.000 0.961 121 D HN 0.391 nan 8.370 nan 0.000 0.470 122 T N 1.074 115.669 114.554 0.069 0.000 2.777 122 T HA -0.036 4.313 4.350 -0.003 0.000 0.266 122 T C 2.258 177.014 174.700 0.093 0.000 1.040 122 T CA 0.456 62.584 62.100 0.047 0.000 1.141 122 T CB -0.231 68.621 68.868 -0.027 0.000 0.868 122 T HN 0.095 nan 8.240 nan 0.000 0.444 123 L N -0.093 121.204 121.223 0.124 0.000 2.042 123 L HA -0.060 4.278 4.340 -0.003 0.000 0.210 123 L C 2.250 179.230 176.870 0.182 0.000 1.076 123 L CA 1.378 56.319 54.840 0.168 0.000 0.749 123 L CB -0.555 41.625 42.059 0.202 0.000 0.893 123 L HN 0.194 nan 8.230 nan 0.000 0.432 124 F N 0.899 120.889 119.950 0.067 0.000 2.161 124 F HA -0.263 4.263 4.527 -0.003 0.000 0.300 124 F C 2.632 178.445 175.800 0.022 0.000 1.089 124 F CA 1.806 59.838 58.000 0.054 0.000 1.282 124 F CB -0.108 38.923 39.000 0.051 0.000 1.010 124 F HN -0.063 nan 8.300 nan 0.000 0.485 125 K N -0.144 120.349 120.400 0.155 0.000 2.167 125 K HA -0.128 4.191 4.320 -0.003 0.000 0.203 125 K C 1.414 177.957 176.600 -0.094 0.000 1.052 125 K CA 1.412 57.717 56.287 0.031 0.000 0.956 125 K CB -0.193 32.346 32.500 0.065 0.000 0.735 125 K HN 0.212 nan 8.250 nan 0.000 0.451 126 N N 0.394 119.050 118.700 -0.072 0.000 2.463 126 N HA -0.000 4.738 4.740 -0.003 0.000 0.181 126 N C -0.583 174.775 175.510 -0.253 0.000 1.078 126 N CA 0.406 53.352 53.050 -0.173 0.000 0.902 126 N CB 0.819 39.279 38.487 -0.046 0.000 0.970 126 N HN -0.057 nan 8.380 nan 0.000 0.451 127 V N 2.734 122.573 119.914 -0.125 0.000 2.385 127 V HA 0.288 4.406 4.120 -0.003 0.000 0.277 127 V C -2.404 173.585 176.094 -0.175 0.000 1.012 127 V CA -1.756 60.519 62.300 -0.041 0.000 0.832 127 V CB 1.866 33.771 31.823 0.137 0.000 1.028 127 V HN -0.146 nan 8.190 nan 0.000 0.436 128 P HA 0.184 nan 4.420 nan 0.000 0.264 128 P C -0.280 176.909 177.300 -0.185 0.000 1.193 128 P CA 0.543 63.511 63.100 -0.219 0.000 0.763 128 P CB 0.548 32.164 31.700 -0.141 0.000 0.810 129 S N 1.700 117.239 115.700 -0.268 0.000 2.564 129 S HA 0.910 5.379 4.470 -0.003 0.000 0.274 129 S C -0.389 174.165 174.600 -0.077 0.000 1.124 129 S CA -0.160 57.951 58.200 -0.150 0.000 0.869 129 S CB 1.905 65.014 63.200 -0.151 0.000 1.105 129 S HN 0.835 nan 8.310 nan 0.000 0.472 130 G N 0.042 108.846 108.800 0.006 0.000 2.355 130 G HA2 0.254 4.212 3.960 -0.003 0.000 0.619 130 G HA3 0.254 4.212 3.960 -0.003 0.000 0.619 130 G C -1.208 173.711 174.900 0.032 0.000 1.337 130 G CA -0.477 44.646 45.100 0.039 0.000 0.993 130 G HN 1.517 nan 8.290 nan 0.000 0.599 131 V N 1.488 121.422 119.914 0.033 0.000 2.485 131 V HA 0.421 4.539 4.120 -0.003 0.000 0.287 131 V C 1.852 177.952 176.094 0.010 0.000 1.022 131 V CA 2.067 64.378 62.300 0.020 0.000 1.067 131 V CB 0.374 32.205 31.823 0.013 0.000 0.967 131 V HN 2.765 nan 8.190 nan 0.000 0.479 132 G N 3.956 112.759 108.800 0.005 0.000 2.159 132 G HA2 -0.261 3.698 3.960 -0.003 0.000 0.256 132 G HA3 -0.261 3.698 3.960 -0.003 0.000 0.256 132 G C 0.360 175.263 174.900 0.006 0.000 0.977 132 G CA 0.160 45.261 45.100 0.002 0.000 0.652 132 G HN 1.296 nan 8.290 nan 0.000 0.531 133 S N -0.154 115.549 115.700 0.005 0.000 2.546 133 S HA 0.464 4.932 4.470 -0.003 0.000 0.290 133 S C 0.123 174.727 174.600 0.006 0.000 1.290 133 S CA 0.283 58.479 58.200 -0.005 0.000 1.069 133 S CB 1.301 64.487 63.200 -0.022 0.000 0.846 133 S HN 0.609 nan 8.310 nan 0.000 0.495 134 Q N 1.378 121.179 119.800 0.003 0.000 2.306 134 Q HA 0.604 4.942 4.340 -0.003 0.000 0.265 134 Q C 0.361 176.371 176.000 0.017 0.000 1.022 134 Q CA -0.776 55.040 55.803 0.021 0.000 0.853 134 Q CB 1.960 30.712 28.738 0.023 0.000 1.327 134 Q HN 0.910 nan 8.270 nan 0.000 0.449 135 G N 0.749 109.579 108.800 0.049 0.000 2.415 135 G HA2 0.108 4.066 3.960 -0.003 0.000 0.269 135 G HA3 0.108 4.066 3.960 -0.003 0.000 0.269 135 G C 0.322 175.256 174.900 0.056 0.000 1.209 135 G CA -0.398 44.744 45.100 0.069 0.000 0.835 135 G HN 0.627 nan 8.290 nan 0.000 0.534 136 R N 1.075 121.582 120.500 0.012 0.000 2.237 136 R HA -0.002 4.337 4.340 -0.003 0.000 0.219 136 R C 1.281 177.639 176.300 0.096 0.000 1.080 136 R CA 0.016 56.124 56.100 0.013 0.000 0.995 136 R CB -0.120 30.137 30.300 -0.071 0.000 0.875 136 R HN 0.559 nan 8.270 nan 0.000 0.462 137 I N 2.067 122.744 120.570 0.178 0.000 2.710 137 I HA -0.080 4.088 4.170 -0.003 0.000 0.286 137 I C 0.455 176.667 176.117 0.159 0.000 1.181 137 I CA 0.201 61.634 61.300 0.223 0.000 1.430 137 I CB 0.507 38.688 38.000 0.303 0.000 1.367 137 I HN -0.217 nan 8.210 nan 0.000 0.577 138 K N 8.909 129.399 120.400 0.149 0.000 2.363 138 K HA 0.356 4.674 4.320 -0.003 0.000 0.240 138 K C -1.133 175.545 176.600 0.130 0.000 1.169 138 K CA -0.200 56.160 56.287 0.121 0.000 1.131 138 K CB -0.417 32.142 32.500 0.099 0.000 1.771 138 K HN 0.582 nan 8.250 nan 0.000 0.380 139 L N 2.462 123.764 121.223 0.132 0.000 2.325 139 L HA 0.335 4.674 4.340 -0.003 0.000 0.278 139 L C 0.424 177.378 176.870 0.140 0.000 1.023 139 L CA -0.851 54.065 54.840 0.126 0.000 0.811 139 L CB 1.420 43.537 42.059 0.097 0.000 1.249 139 L HN 0.401 nan 8.230 nan 0.000 0.431 140 H N 3.415 122.498 119.070 0.023 0.000 2.479 140 H HA 0.054 4.608 4.556 -0.002 0.000 0.335 140 H C 0.508 175.827 175.328 -0.015 0.000 1.142 140 H CA -0.684 55.367 56.048 0.005 0.000 1.234 140 H CB 1.506 31.225 29.762 -0.071 0.000 1.503 140 H HN 0.817 nan 8.280 nan 0.000 0.510 141 W N 4.544 125.531 121.300 -0.521 0.000 2.389 141 W HA -0.167 4.491 4.660 -0.003 0.000 0.267 141 W C 0.213 176.672 176.519 -0.100 0.000 1.219 141 W CA 1.432 58.603 57.345 -0.290 0.000 1.189 141 W CB -1.048 28.219 29.460 -0.321 0.000 1.129 141 W HN 0.546 nan 8.180 nan 0.000 0.581 142 T N -1.644 112.531 114.554 -0.632 0.000 3.086 142 T HA 0.107 4.455 4.350 -0.003 0.000 0.250 142 T C 1.357 175.945 174.700 -0.186 0.000 1.074 142 T CA 0.320 62.070 62.100 -0.583 0.000 0.988 142 T CB -0.139 68.315 68.868 -0.689 0.000 0.988 142 T HN 0.346 nan 8.240 nan 0.000 0.530 143 Q N 0.897 120.657 119.800 -0.065 0.000 2.219 143 Q HA 0.405 4.744 4.340 -0.003 0.000 0.209 143 Q C 1.476 177.450 176.000 -0.043 0.000 0.854 143 Q CA -0.019 55.768 55.803 -0.026 0.000 0.960 143 Q CB 0.030 28.785 28.738 0.028 0.000 1.116 143 Q HN 0.797 nan 8.270 nan 0.000 0.500 144 I N -3.539 116.998 120.570 -0.055 0.000 3.941 144 I HA 0.209 4.377 4.170 -0.003 0.000 0.335 144 I C 0.352 176.395 176.117 -0.123 0.000 1.402 144 I CA -0.136 61.092 61.300 -0.120 0.000 1.112 144 I CB 0.317 38.293 38.000 -0.040 0.000 1.043 144 I HN -0.207 nan 8.210 nan 0.000 0.395 145 D N 2.346 122.702 120.400 -0.073 0.000 2.178 145 D HA -0.174 4.465 4.640 -0.003 0.000 0.201 145 D C 1.517 177.775 176.300 -0.069 0.000 0.980 145 D CA 1.339 55.309 54.000 -0.049 0.000 0.842 145 D CB -0.022 40.766 40.800 -0.020 0.000 0.948 145 D HN 0.465 nan 8.370 nan 0.000 0.472 146 D N 0.016 120.358 120.400 -0.095 0.000 2.183 146 D HA -0.070 4.568 4.640 -0.003 0.000 0.203 146 D C 2.256 178.437 176.300 -0.199 0.000 0.969 146 D CA 0.281 54.249 54.000 -0.053 0.000 0.842 146 D CB 0.119 40.980 40.800 0.102 0.000 0.957 146 D HN 0.110 nan 8.370 nan 0.000 0.484 147 V N 1.448 121.045 119.914 -0.528 0.000 2.307 147 V HA -0.205 3.914 4.120 -0.003 0.000 0.245 147 V C 2.658 178.658 176.094 -0.157 0.000 1.045 147 V CA 1.104 63.037 62.300 -0.613 0.000 1.024 147 V CB -0.487 30.878 31.823 -0.764 0.000 0.651 147 V HN 0.185 nan 8.190 nan 0.000 0.449 148 L N -0.533 120.642 121.223 -0.081 0.000 2.141 148 L HA -0.115 4.223 4.340 -0.003 0.000 0.209 148 L C 2.361 179.229 176.870 -0.004 0.000 1.094 148 L CA 0.945 55.782 54.840 -0.004 0.000 0.763 148 L CB -0.580 41.469 42.059 -0.017 0.000 0.908 148 L HN 0.210 nan 8.230 nan 0.000 0.437 149 V N -0.924 118.985 119.914 -0.009 0.000 2.500 149 V HA -0.130 3.989 4.120 -0.003 0.000 0.243 149 V C 1.528 177.640 176.094 0.031 0.000 1.039 149 V CA 1.487 63.791 62.300 0.006 0.000 1.053 149 V CB -0.142 31.687 31.823 0.010 0.000 0.695 149 V HN 0.341 nan 8.190 nan 0.000 0.463 150 D N -0.802 119.638 120.400 0.067 0.000 2.379 150 D HA 0.254 4.892 4.640 -0.003 0.000 0.208 150 D C 1.529 177.901 176.300 0.121 0.000 1.065 150 D CA 0.960 55.023 54.000 0.106 0.000 0.848 150 D CB 0.653 41.561 40.800 0.179 0.000 0.949 150 D HN 0.353 nan 8.370 nan 0.000 0.509 151 G N 1.730 110.603 108.800 0.123 0.000 2.672 151 G HA2 -0.422 3.537 3.960 -0.003 0.000 0.324 151 G HA3 -0.422 3.537 3.960 -0.003 0.000 0.324 151 G C 1.385 176.382 174.900 0.162 0.000 1.286 151 G CA 1.307 46.493 45.100 0.142 0.000 1.004 151 G HN 0.440 nan 8.290 nan 0.000 0.548 152 A N -0.204 122.668 122.820 0.086 0.000 2.019 152 A HA 0.027 4.345 4.320 -0.003 0.000 0.219 152 A C 2.256 179.848 177.584 0.013 0.000 1.164 152 A CA 2.631 54.682 52.037 0.024 0.000 0.644 152 A CB -0.444 18.509 19.000 -0.078 0.000 0.805 152 A HN 0.832 nan 8.150 nan 0.000 0.449 153 K N -1.469 118.943 120.400 0.021 0.000 2.057 153 K HA -0.215 4.104 4.320 -0.003 0.000 0.206 153 K C 1.826 178.449 176.600 0.039 0.000 1.050 153 K CA 1.612 57.904 56.287 0.009 0.000 0.935 153 K CB -0.343 32.163 32.500 0.008 0.000 0.715 153 K HN 0.643 nan 8.250 nan 0.000 0.439 154 W N 1.300 122.578 121.300 -0.036 0.000 2.335 154 W HA -0.226 4.432 4.660 -0.003 0.000 0.311 154 W C 1.885 178.400 176.519 -0.006 0.000 1.213 154 W CA 2.447 59.781 57.345 -0.019 0.000 1.274 154 W CB -0.472 28.976 29.460 -0.020 0.000 1.148 154 W HN 0.168 nan 8.180 nan 0.000 0.498 155 A N -0.036 122.760 122.820 -0.040 0.000 1.902 155 A HA -0.176 4.142 4.320 -0.003 0.000 0.217 155 A C 2.048 179.499 177.584 -0.222 0.000 1.181 155 A CA 2.363 54.237 52.037 -0.273 0.000 0.623 155 A CB -1.261 17.697 19.000 -0.070 0.000 0.818 155 A HN 0.218 nan 8.150 nan 0.000 0.443 156 V N 0.724 120.547 119.914 -0.152 0.000 2.343 156 V HA -0.241 3.877 4.120 -0.003 0.000 0.247 156 V C 2.064 178.046 176.094 -0.188 0.000 1.051 156 V CA 2.318 64.538 62.300 -0.134 0.000 1.036 156 V CB -0.817 30.961 31.823 -0.075 0.000 0.654 156 V HN 0.498 nan 8.190 nan 0.000 0.451 157 D N 0.069 120.334 120.400 -0.224 0.000 2.218 157 D HA -0.105 4.533 4.640 -0.003 0.000 0.204 157 D C 1.560 177.668 176.300 -0.320 0.000 0.976 157 D CA 0.975 54.837 54.000 -0.230 0.000 0.853 157 D CB -0.326 40.355 40.800 -0.197 0.000 0.939 157 D HN 0.456 nan 8.370 nan 0.000 0.481 158 N N -0.306 118.098 118.700 -0.492 0.000 2.327 158 N HA 0.148 4.887 4.740 -0.003 0.000 0.231 158 N C 0.830 176.041 175.510 -0.498 0.000 1.130 158 N CA 0.339 53.086 53.050 -0.506 0.000 0.845 158 N CB 1.268 39.264 38.487 -0.819 0.000 1.073 158 N HN 0.133 nan 8.380 nan 0.000 0.496 159 G N 0.729 109.275 108.800 -0.424 0.000 2.159 159 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.256 159 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.256 159 G C -0.433 173.988 174.900 -0.798 0.000 0.977 159 G CA -0.097 44.702 45.100 -0.502 0.000 0.652 159 G HN 0.410 nan 8.290 nan 0.000 0.531 160 Y N 1.035 121.006 120.300 -0.550 0.000 2.454 160 Y HA 0.485 5.034 4.550 -0.002 0.000 0.345 160 Y C 1.252 176.899 175.900 -0.422 0.000 0.970 160 Y CA 0.589 58.255 58.100 -0.723 0.000 1.204 160 Y CB 0.950 39.073 38.460 -0.562 0.000 1.122 160 Y HN 1.070 nan 8.280 nan 0.000 0.514 161 G N 1.602 110.304 108.800 -0.163 0.000 2.615 161 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.218 161 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.218 161 G C -1.267 173.605 174.900 -0.046 0.000 1.339 161 G CA -0.846 44.105 45.100 -0.249 0.000 0.884 161 G HN 0.458 nan 8.290 nan 0.000 0.559 162 W N -0.011 121.286 121.300 -0.005 0.000 2.706 162 W HA 0.665 5.324 4.660 -0.003 0.000 0.346 162 W C 0.946 177.440 176.519 -0.040 0.000 1.071 162 W CA -0.874 56.457 57.345 -0.022 0.000 1.206 162 W CB 0.955 30.409 29.460 -0.009 0.000 1.413 162 W HN 0.648 nan 8.180 nan 0.000 0.542 163 E N 0.974 121.289 120.200 0.192 0.000 2.097 163 E HA -0.229 4.119 4.350 -0.003 0.000 0.196 163 E C 1.930 178.577 176.600 0.079 0.000 1.000 163 E CA 1.734 58.183 56.400 0.081 0.000 0.804 163 E CB -0.128 29.597 29.700 0.042 0.000 0.740 163 E HN 0.492 nan 8.360 nan 0.000 0.454 164 R N 0.937 121.512 120.500 0.126 0.000 2.285 164 R HA -0.075 4.263 4.340 -0.003 0.000 0.213 164 R C 1.124 177.484 176.300 0.101 0.000 1.068 164 R CA 1.148 57.307 56.100 0.099 0.000 1.004 164 R CB -0.104 30.258 30.300 0.103 0.000 0.873 164 R HN -0.026 nan 8.270 nan 0.000 0.467 165 D N 1.758 122.225 120.400 0.113 0.000 2.144 165 D HA -0.095 4.544 4.640 -0.003 0.000 0.200 165 D C 2.041 178.322 176.300 -0.032 0.000 0.978 165 D CA 1.001 55.018 54.000 0.030 0.000 0.833 165 D CB -0.097 40.670 40.800 -0.055 0.000 0.961 165 D HN 0.280 nan 8.370 nan 0.000 0.470 166 L N 1.155 122.351 121.223 -0.044 0.000 2.127 166 L HA -0.186 4.152 4.340 -0.003 0.000 0.211 166 L C 2.225 179.040 176.870 -0.093 0.000 1.089 166 L CA 1.303 56.086 54.840 -0.096 0.000 0.757 166 L CB -0.675 41.334 42.059 -0.083 0.000 0.899 166 L HN 0.181 nan 8.230 nan 0.000 0.434 167 E N -0.244 119.931 120.200 -0.042 0.000 2.482 167 E HA -0.110 4.238 4.350 -0.003 0.000 0.196 167 E C 1.232 177.841 176.600 0.015 0.000 1.047 167 E CA 0.250 56.635 56.400 -0.024 0.000 0.869 167 E CB -0.028 29.659 29.700 -0.020 0.000 0.836 167 E HN 0.394 nan 8.360 nan 0.000 0.520 168 R N 1.003 121.513 120.500 0.016 0.000 2.466 168 R HA 0.334 4.673 4.340 -0.003 0.000 0.279 168 R C -0.003 176.271 176.300 -0.044 0.000 0.976 168 R CA 0.062 56.232 56.100 0.118 0.000 1.081 168 R CB 0.085 30.456 30.300 0.118 0.000 1.215 168 R HN 0.205 nan 8.270 nan 0.000 0.546 169 L N 0.320 121.415 121.223 -0.213 0.000 2.354 169 L HA 0.412 4.751 4.340 -0.003 0.000 0.269 169 L C 0.427 176.973 176.870 -0.539 0.000 1.005 169 L CA -1.086 53.457 54.840 -0.495 0.000 0.819 169 L CB 2.129 43.901 42.059 -0.479 0.000 1.311 169 L HN -0.020 nan 8.230 nan 0.000 0.423 170 E N 2.062 121.862 120.200 -0.667 0.000 2.414 170 E HA -0.057 4.292 4.350 -0.003 0.000 0.263 170 E C -0.158 176.146 176.600 -0.494 0.000 1.000 170 E CA 0.049 56.243 56.400 -0.344 0.000 0.914 170 E CB 0.419 30.047 29.700 -0.120 0.000 0.948 170 E HN 0.595 nan 8.360 nan 0.000 0.444 171 E N 2.412 122.421 120.200 -0.318 0.000 3.370 171 E HA -0.281 4.067 4.350 -0.003 0.000 0.291 171 E C 0.720 177.044 176.600 -0.461 0.000 0.916 171 E CA 1.139 57.312 56.400 -0.378 0.000 0.981 171 E CB -1.976 27.415 29.700 -0.515 0.000 1.498 171 E HN 1.037 nan 8.360 nan 0.000 0.452 172 G N -0.813 107.731 108.800 -0.426 0.000 2.168 172 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.257 172 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.257 172 G C 1.046 175.632 174.900 -0.523 0.000 0.997 172 G CA 1.286 46.171 45.100 -0.358 0.000 0.708 172 G HN 1.538 nan 8.290 nan 0.000 0.520 173 G N -1.142 107.057 108.800 -1.003 0.000 2.155 173 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.257 173 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.257 173 G C 0.190 174.698 174.900 -0.654 0.000 0.983 173 G CA 1.270 45.615 45.100 -1.258 0.000 0.676 173 G HN 1.679 nan 8.290 nan 0.000 0.528 174 R N -0.473 119.696 120.500 -0.553 0.000 2.531 174 R HA 0.564 4.902 4.340 -0.003 0.000 0.293 174 R C -0.340 175.867 176.300 -0.154 0.000 1.124 174 R CA -0.919 55.064 56.100 -0.196 0.000 0.945 174 R CB 0.476 30.707 30.300 -0.115 0.000 1.195 174 R HN 0.185 nan 8.270 nan 0.000 0.433 175 M N 3.126 122.711 119.600 -0.024 0.000 2.144 175 M HA 0.175 4.653 4.480 -0.003 0.000 0.356 175 M C 0.031 176.301 176.300 -0.049 0.000 1.217 175 M CA -0.416 54.867 55.300 -0.028 0.000 1.087 175 M CB 1.489 34.102 32.600 0.021 0.000 1.609 175 M HN 0.509 nan 8.290 nan 0.000 0.467 176 E N 1.599 121.770 120.200 -0.049 0.000 2.383 176 E HA 0.345 4.694 4.350 -0.003 0.000 0.264 176 E C 0.893 177.454 176.600 -0.065 0.000 1.050 176 E CA 1.307 57.682 56.400 -0.042 0.000 0.896 176 E CB 0.587 30.275 29.700 -0.020 0.000 0.982 176 E HN 0.777 nan 8.360 nan 0.000 0.424 177 G N 2.056 110.820 108.800 -0.059 0.000 2.141 177 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.231 177 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.231 177 G C 0.257 175.086 174.900 -0.118 0.000 0.984 177 G CA 0.011 45.066 45.100 -0.076 0.000 0.660 177 G HN 0.868 nan 8.290 nan 0.000 0.525 178 A N 0.012 122.765 122.820 -0.111 0.000 2.440 178 A HA 0.537 4.856 4.320 -0.003 0.000 0.251 178 A C 0.101 177.637 177.584 -0.080 0.000 1.089 178 A CA 0.719 52.683 52.037 -0.122 0.000 0.779 178 A CB 0.574 19.524 19.000 -0.084 0.000 1.022 178 A HN 0.481 nan 8.150 nan 0.000 0.492 179 D N 2.513 122.864 120.400 -0.082 0.000 2.462 179 D HA 0.459 5.097 4.640 -0.003 0.000 0.245 179 D C -2.099 174.186 176.300 -0.024 0.000 1.122 179 D CA -1.951 52.023 54.000 -0.043 0.000 0.864 179 D CB 1.671 42.450 40.800 -0.036 0.000 1.098 179 D HN 0.102 nan 8.370 nan 0.000 0.541 180 P HA -0.063 nan 4.420 nan 0.000 0.220 180 P C 0.556 177.873 177.300 0.029 0.000 1.148 180 P CA 0.899 64.002 63.100 0.004 0.000 0.803 180 P CB 0.361 32.065 31.700 0.006 0.000 0.782 181 E N -0.610 119.608 120.200 0.031 0.000 2.427 181 E HA 0.036 4.384 4.350 -0.003 0.000 0.196 181 E C 1.728 178.364 176.600 0.060 0.000 1.028 181 E CA 0.514 56.943 56.400 0.048 0.000 0.864 181 E CB -0.259 29.466 29.700 0.041 0.000 0.813 181 E HN 0.202 nan 8.360 nan 0.000 0.514 182 A N 0.894 123.751 122.820 0.061 0.000 2.218 182 A HA 0.086 4.405 4.320 -0.003 0.000 0.209 182 A C 0.879 178.563 177.584 0.166 0.000 1.168 182 A CA 0.074 52.186 52.037 0.124 0.000 0.804 182 A CB 0.434 19.478 19.000 0.073 0.000 0.834 182 A HN 0.001 nan 8.150 nan 0.000 0.482 183 V N 2.027 121.991 119.914 0.082 0.000 2.370 183 V HA 0.315 4.434 4.120 -0.003 0.000 0.279 183 V C 0.767 176.875 176.094 0.024 0.000 1.029 183 V CA -0.309 62.027 62.300 0.059 0.000 0.870 183 V CB 1.077 32.899 31.823 -0.002 0.000 0.984 183 V HN 0.528 nan 8.190 nan 0.000 0.451 184 S N 3.587 119.281 115.700 -0.010 0.000 2.576 184 S HA 0.021 4.490 4.470 -0.003 0.000 0.272 184 S C 1.099 175.626 174.600 -0.122 0.000 1.352 184 S CA 0.266 58.424 58.200 -0.071 0.000 1.021 184 S CB 0.820 63.954 63.200 -0.109 0.000 0.887 184 S HN 0.810 nan 8.310 nan 0.000 0.542 185 Q N 0.715 120.392 119.800 -0.205 0.000 2.135 185 Q HA -0.229 4.109 4.340 -0.003 0.000 0.204 185 Q C 2.216 177.916 176.000 -0.500 0.000 0.981 185 Q CA 1.659 57.179 55.803 -0.472 0.000 0.856 185 Q CB -0.159 28.201 28.738 -0.630 0.000 0.902 185 Q HN 0.798 nan 8.270 nan 0.000 0.425 186 R N 0.400 120.700 120.500 -0.334 0.000 2.081 186 R HA -0.084 4.254 4.340 -0.003 0.000 0.235 186 R C 1.962 178.142 176.300 -0.201 0.000 1.131 186 R CA 1.804 57.746 56.100 -0.264 0.000 0.960 186 R CB -0.900 29.292 30.300 -0.180 0.000 0.856 186 R HN 0.358 nan 8.270 nan 0.000 0.436 187 A N 0.794 123.518 122.820 -0.160 0.000 1.877 187 A HA -0.171 4.148 4.320 -0.003 0.000 0.216 187 A C 2.013 179.494 177.584 -0.171 0.000 1.186 187 A CA 1.859 53.813 52.037 -0.138 0.000 0.620 187 A CB -0.450 18.486 19.000 -0.106 0.000 0.822 187 A HN 0.421 nan 8.150 nan 0.000 0.443 188 K N -0.709 119.607 120.400 -0.140 0.000 2.097 188 K HA -0.190 4.129 4.320 -0.003 0.000 0.206 188 K C 2.368 178.949 176.600 -0.031 0.000 1.049 188 K CA 1.487 57.738 56.287 -0.060 0.000 0.933 188 K CB -0.154 32.432 32.500 0.143 0.000 0.717 188 K HN 0.708 nan 8.250 nan 0.000 0.442 189 Q N 1.138 120.847 119.800 -0.152 0.000 2.119 189 Q HA -0.141 4.197 4.340 -0.003 0.000 0.201 189 Q C 1.992 177.935 176.000 -0.094 0.000 0.972 189 Q CA 1.301 57.006 55.803 -0.163 0.000 0.847 189 Q CB 0.173 28.683 28.738 -0.379 0.000 0.903 189 Q HN 0.228 nan 8.270 nan 0.000 0.433 190 R N -0.766 119.667 120.500 -0.112 0.000 2.062 190 R HA -0.040 4.298 4.340 -0.003 0.000 0.229 190 R C 2.353 178.615 176.300 -0.062 0.000 1.128 190 R CA 1.195 57.247 56.100 -0.079 0.000 0.960 190 R CB -0.380 29.871 30.300 -0.081 0.000 0.855 190 R HN 0.369 nan 8.270 nan 0.000 0.432 191 G N 0.471 109.193 108.800 -0.130 0.000 2.403 191 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.216 191 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.216 191 G C 1.551 176.495 174.900 0.074 0.000 1.154 191 G CA 0.611 45.617 45.100 -0.157 0.000 0.784 191 G HN 0.374 nan 8.290 nan 0.000 0.538 192 A N 1.847 124.699 122.820 0.054 0.000 1.892 192 A HA -0.048 4.271 4.320 -0.003 0.000 0.218 192 A C 0.724 178.389 177.584 0.135 0.000 1.188 192 A CA 2.155 54.272 52.037 0.134 0.000 0.631 192 A CB -1.300 17.757 19.000 0.096 0.000 0.822 192 A HN 0.400 nan 8.150 nan 0.000 0.447 193 P HA -0.092 nan 4.420 nan 0.000 0.223 193 P C 1.103 178.460 177.300 0.095 0.000 1.151 193 P CA 1.097 64.249 63.100 0.085 0.000 0.787 193 P CB -0.038 31.696 31.700 0.057 0.000 0.788 194 Q N -1.236 118.641 119.800 0.127 0.000 2.424 194 Q HA 0.074 4.412 4.340 -0.003 0.000 0.204 194 Q C 0.488 176.567 176.000 0.131 0.000 0.933 194 Q CA -0.351 55.529 55.803 0.128 0.000 0.929 194 Q CB -0.184 28.632 28.738 0.130 0.000 1.037 194 Q HN 0.178 nan 8.270 nan 0.000 0.511 195 L N 1.077 122.392 121.223 0.153 0.000 2.559 195 L HA 0.140 4.479 4.340 -0.003 0.000 0.274 195 L C 0.703 177.570 176.870 -0.006 0.000 1.205 195 L CA 1.733 56.527 54.840 -0.076 0.000 0.907 195 L CB 0.092 42.058 42.059 -0.155 0.000 1.153 195 L HN 0.343 nan 8.230 nan 0.000 0.490 196 G N 2.576 111.354 108.800 -0.037 0.000 2.270 196 G HA2 -0.031 3.927 3.960 -0.003 0.000 0.224 196 G HA3 -0.031 3.927 3.960 -0.003 0.000 0.224 196 G C -0.117 174.942 174.900 0.267 0.000 1.079 196 G CA 0.120 45.347 45.100 0.212 0.000 0.807 196 G HN 1.432 nan 8.290 nan 0.000 0.492 197 S N -1.826 113.939 115.700 0.110 0.000 2.565 197 S HA 0.693 5.161 4.470 -0.003 0.000 0.269 197 S C 0.374 174.978 174.600 0.007 0.000 1.153 197 S CA -0.238 58.002 58.200 0.066 0.000 0.835 197 S CB 1.769 64.986 63.200 0.030 0.000 1.122 197 S HN 1.004 nan 8.310 nan 0.000 0.462 198 L N 2.219 123.440 121.223 -0.003 0.000 2.270 198 L HA 0.468 4.807 4.340 -0.003 0.000 0.210 198 L C 1.479 178.329 176.870 -0.033 0.000 1.104 198 L CA 2.276 57.100 54.840 -0.027 0.000 0.804 198 L CB -0.997 41.070 42.059 0.013 0.000 0.937 198 L HN 1.449 nan 8.230 nan 0.000 0.450 199 G N -1.192 107.612 108.800 0.006 0.000 2.553 199 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.242 199 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.242 199 G C -0.110 174.855 174.900 0.109 0.000 1.277 199 G CA -0.091 45.043 45.100 0.056 0.000 0.910 199 G HN 0.570 nan 8.290 nan 0.000 0.576 200 S N -2.714 113.084 115.700 0.164 0.000 3.642 200 S HA 0.813 5.281 4.470 -0.003 0.000 0.312 200 S C 1.494 176.133 174.600 0.065 0.000 1.117 200 S CA 1.324 59.592 58.200 0.114 0.000 1.104 200 S CB 0.669 63.910 63.200 0.068 0.000 1.397 200 S HN 2.957 nan 8.310 nan 0.000 0.756 201 G N 2.713 111.526 108.800 0.021 0.000 2.596 201 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.304 201 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.304 201 G C 0.440 175.317 174.900 -0.038 0.000 1.189 201 G CA 0.849 45.929 45.100 -0.034 0.000 0.986 201 G HN 1.217 nan 8.290 nan 0.000 0.548 202 N N 1.699 120.284 118.700 -0.191 0.000 2.461 202 N HA 0.021 4.759 4.740 -0.003 0.000 0.188 202 N C 0.624 176.025 175.510 -0.183 0.000 1.134 202 N CA 1.005 54.005 53.050 -0.083 0.000 0.878 202 N CB -0.339 38.141 38.487 -0.012 0.000 0.972 202 N HN 0.829 nan 8.380 nan 0.000 0.456 203 H N 0.098 119.089 119.070 -0.131 0.000 2.629 203 H HA 0.391 4.945 4.556 -0.003 0.000 0.357 203 H C -0.357 174.981 175.328 0.016 0.000 1.121 203 H CA -0.299 55.576 56.048 -0.289 0.000 1.406 203 H CB 0.517 30.142 29.762 -0.230 0.000 1.456 203 H HN 0.199 nan 8.280 nan 0.000 0.579 204 F N -0.468 119.586 119.950 0.172 0.000 2.858 204 F HA 0.411 4.936 4.527 -0.003 0.000 0.319 204 F C -2.405 173.493 175.800 0.163 0.000 1.166 204 F CA -1.344 56.749 58.000 0.155 0.000 0.899 204 F CB 1.155 40.237 39.000 0.136 0.000 1.332 204 F HN 0.418 nan 8.300 nan 0.000 0.461 205 L N 1.623 123.187 121.223 0.570 0.000 2.404 205 L HA 0.617 4.956 4.340 -0.003 0.000 0.272 205 L C -1.424 175.711 176.870 0.441 0.000 0.980 205 L CA -0.170 54.928 54.840 0.430 0.000 0.836 205 L CB 1.755 43.982 42.059 0.279 0.000 1.238 205 L HN 0.822 nan 8.230 nan 0.000 0.408 206 E N 3.749 124.207 120.200 0.430 0.000 2.248 206 E HA 0.397 4.746 4.350 -0.003 0.000 0.267 206 E C -1.300 175.424 176.600 0.206 0.000 0.877 206 E CA -0.848 55.687 56.400 0.225 0.000 0.759 206 E CB 3.172 32.913 29.700 0.068 0.000 1.182 206 E HN 0.293 nan 8.360 nan 0.000 0.418 207 V N 3.601 123.617 119.914 0.170 0.000 2.364 207 V HA 0.184 4.302 4.120 -0.003 0.000 0.272 207 V C -0.115 176.046 176.094 0.113 0.000 1.036 207 V CA -0.266 62.146 62.300 0.187 0.000 0.880 207 V CB 0.863 32.804 31.823 0.197 0.000 0.991 207 V HN 0.630 nan 8.190 nan 0.000 0.460 208 Q N 3.147 123.003 119.800 0.095 0.000 2.445 208 Q HA 0.789 5.128 4.340 -0.003 0.000 0.281 208 Q C -1.443 174.564 176.000 0.012 0.000 1.101 208 Q CA -0.930 54.896 55.803 0.038 0.000 0.833 208 Q CB 3.042 31.795 28.738 0.025 0.000 1.416 208 Q HN 0.494 nan 8.270 nan 0.000 0.451 209 V N 1.208 121.109 119.914 -0.022 0.000 2.487 209 V HA 0.244 4.363 4.120 -0.003 0.000 0.298 209 V C -0.484 175.561 176.094 -0.082 0.000 1.028 209 V CA -0.867 61.402 62.300 -0.051 0.000 0.860 209 V CB 1.904 33.706 31.823 -0.035 0.000 0.991 209 V HN 0.548 nan 8.190 nan 0.000 0.427 210 V N 5.112 124.951 119.914 -0.125 0.000 2.421 210 V HA 0.095 4.213 4.120 -0.003 0.000 0.271 210 V C 0.956 176.982 176.094 -0.113 0.000 1.031 210 V CA 0.296 62.519 62.300 -0.128 0.000 1.032 210 V CB 0.580 32.296 31.823 -0.177 0.000 1.009 210 V HN 1.091 nan 8.190 nan 0.000 0.477 211 D N 3.366 123.700 120.400 -0.109 0.000 2.398 211 D HA 0.128 4.766 4.640 -0.003 0.000 0.210 211 D C 0.316 176.535 176.300 -0.136 0.000 1.094 211 D CA -0.154 53.785 54.000 -0.102 0.000 0.839 211 D CB 0.590 41.339 40.800 -0.086 0.000 0.963 211 D HN 0.526 nan 8.370 nan 0.000 0.506 212 K N 0.462 120.754 120.400 -0.181 0.000 2.575 212 K HA 0.296 4.615 4.320 -0.003 0.000 0.255 212 K C -1.831 174.554 176.600 -0.358 0.000 0.953 212 K CA -0.625 55.476 56.287 -0.310 0.000 0.840 212 K CB 1.655 33.886 32.500 -0.447 0.000 1.303 212 K HN -0.179 nan 8.250 nan 0.000 0.438 213 I N 5.889 126.264 120.570 -0.325 0.000 2.354 213 I HA 0.242 4.411 4.170 -0.003 0.000 0.292 213 I C 0.228 176.169 176.117 -0.292 0.000 0.989 213 I CA -0.306 60.877 61.300 -0.194 0.000 1.188 213 I CB 0.933 38.893 38.000 -0.068 0.000 1.342 213 I HN 0.726 nan 8.210 nan 0.000 0.457 214 F N 2.037 122.008 119.950 0.034 0.000 2.559 214 F HA 0.141 4.667 4.527 -0.001 0.000 0.286 214 F C 1.036 176.846 175.800 0.016 0.000 1.108 214 F CA 0.204 58.225 58.000 0.035 0.000 1.436 214 F CB 0.492 39.525 39.000 0.056 0.000 1.130 214 F HN 0.351 nan 8.300 nan 0.000 0.584 215 D N 0.187 120.696 120.400 0.181 0.000 2.389 215 D HA 0.224 4.862 4.640 -0.003 0.000 0.256 215 D C -2.257 174.057 176.300 0.024 0.000 1.239 215 D CA -2.014 52.033 54.000 0.079 0.000 0.925 215 D CB 1.609 42.438 40.800 0.048 0.000 1.145 215 D HN -0.110 nan 8.370 nan 0.000 0.542 216 P HA -0.164 nan 4.420 nan 0.000 0.215 216 P C 1.210 178.506 177.300 -0.007 0.000 1.157 216 P CA 0.984 64.090 63.100 0.010 0.000 0.874 216 P CB 0.493 32.200 31.700 0.012 0.000 0.790 217 E N -0.426 119.764 120.200 -0.018 0.000 2.051 217 E HA -0.143 4.205 4.350 -0.003 0.000 0.192 217 E C 1.799 178.350 176.600 -0.082 0.000 0.991 217 E CA 1.311 57.692 56.400 -0.031 0.000 0.799 217 E CB -0.261 29.424 29.700 -0.024 0.000 0.748 217 E HN -0.023 nan 8.360 nan 0.000 0.449 218 V N 1.173 121.000 119.914 -0.146 0.000 2.379 218 V HA -0.200 3.919 4.120 -0.003 0.000 0.245 218 V C 2.482 178.325 176.094 -0.418 0.000 1.044 218 V CA 1.581 63.669 62.300 -0.353 0.000 1.036 218 V CB -0.737 30.845 31.823 -0.401 0.000 0.664 218 V HN 0.385 nan 8.190 nan 0.000 0.453 219 A N 0.135 122.842 122.820 -0.188 0.000 1.908 219 A HA -0.305 4.014 4.320 -0.003 0.000 0.218 219 A C 2.342 179.944 177.584 0.030 0.000 1.181 219 A CA 2.396 54.402 52.037 -0.052 0.000 0.627 219 A CB -0.511 18.505 19.000 0.026 0.000 0.818 219 A HN 0.550 nan 8.150 nan 0.000 0.445 220 K N -0.348 120.065 120.400 0.022 0.000 2.026 220 K HA -0.074 4.244 4.320 -0.003 0.000 0.208 220 K C 2.106 178.771 176.600 0.108 0.000 1.048 220 K CA 1.278 57.609 56.287 0.075 0.000 0.929 220 K CB -0.364 32.165 32.500 0.048 0.000 0.713 220 K HN 0.346 nan 8.250 nan 0.000 0.439 221 A N 0.205 123.064 122.820 0.065 0.000 2.019 221 A HA -0.138 4.180 4.320 -0.003 0.000 0.219 221 A C 1.677 179.509 177.584 0.412 0.000 1.164 221 A CA 1.059 53.200 52.037 0.173 0.000 0.644 221 A CB -0.718 18.347 19.000 0.107 0.000 0.805 221 A HN 0.540 nan 8.150 nan 0.000 0.449 222 Y N -0.980 119.397 120.300 0.127 0.000 2.490 222 Y HA 0.232 4.780 4.550 -0.003 0.000 0.281 222 Y C 1.777 177.768 175.900 0.152 0.000 1.174 222 Y CA -0.095 58.057 58.100 0.087 0.000 1.295 222 Y CB 0.127 38.544 38.460 -0.071 0.000 1.062 222 Y HN 0.501 nan 8.280 nan 0.000 0.522 223 G N 1.642 110.625 108.800 0.305 0.000 2.198 223 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.257 223 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.257 223 G C -0.530 174.507 174.900 0.229 0.000 1.042 223 G CA -0.037 45.209 45.100 0.244 0.000 0.791 223 G HN 0.272 nan 8.290 nan 0.000 0.502 224 L N -0.863 120.488 121.223 0.214 0.000 2.341 224 L HA 0.966 5.304 4.340 -0.003 0.000 0.267 224 L C 0.190 177.180 176.870 0.201 0.000 1.009 224 L CA -1.497 53.420 54.840 0.127 0.000 0.819 224 L CB 1.829 43.938 42.059 0.083 0.000 1.323 224 L HN 0.329 nan 8.230 nan 0.000 0.425 225 F N -1.694 118.277 119.950 0.035 0.000 2.668 225 F HA 0.487 5.012 4.527 -0.002 0.000 0.309 225 F C -0.511 175.291 175.800 0.003 0.000 1.117 225 F CA -1.124 56.885 58.000 0.015 0.000 0.951 225 F CB 1.251 40.259 39.000 0.013 0.000 1.323 225 F HN 0.437 nan 8.300 nan 0.000 0.451 226 E N 0.804 121.085 120.200 0.135 0.000 2.376 226 E HA 0.413 4.761 4.350 -0.003 0.000 0.266 226 E C 0.999 177.636 176.600 0.062 0.000 1.009 226 E CA 1.161 57.577 56.400 0.025 0.000 0.902 226 E CB 0.516 30.237 29.700 0.036 0.000 0.972 226 E HN 1.237 nan 8.360 nan 0.000 0.439 227 G N 3.418 112.184 108.800 -0.056 0.000 2.213 227 G HA2 -0.328 3.631 3.960 -0.003 0.000 0.236 227 G HA3 -0.328 3.631 3.960 -0.003 0.000 0.236 227 G C 0.244 175.077 174.900 -0.110 0.000 0.991 227 G CA 0.332 45.427 45.100 -0.009 0.000 0.629 227 G HN 0.622 nan 8.290 nan 0.000 0.517 228 Q N 0.741 120.254 119.800 -0.478 0.000 2.352 228 Q HA 0.493 4.832 4.340 -0.003 0.000 0.260 228 Q C -0.029 175.797 176.000 -0.290 0.000 0.976 228 Q CA -0.253 55.135 55.803 -0.691 0.000 0.881 228 Q CB 1.011 28.801 28.738 -1.579 0.000 1.235 228 Q HN 0.228 nan 8.270 nan 0.000 0.419 229 V N 5.335 125.160 119.914 -0.148 0.000 2.432 229 V HA 0.356 4.474 4.120 -0.003 0.000 0.275 229 V C 0.071 176.142 176.094 -0.039 0.000 1.043 229 V CA -0.261 62.019 62.300 -0.033 0.000 0.925 229 V CB 1.091 32.954 31.823 0.066 0.000 0.985 229 V HN 0.662 nan 8.190 nan 0.000 0.466 230 V N 3.705 123.615 119.914 -0.007 0.000 3.141 230 V HA 0.838 4.957 4.120 -0.003 0.000 0.312 230 V C -0.771 175.362 176.094 0.065 0.000 1.157 230 V CA -0.796 61.500 62.300 -0.007 0.000 1.041 230 V CB 2.282 34.092 31.823 -0.022 0.000 1.071 230 V HN 0.414 nan 8.190 nan 0.000 0.441 231 V N 2.845 122.793 119.914 0.056 0.000 2.540 231 V HA 0.579 4.697 4.120 -0.003 0.000 0.302 231 V C -0.261 175.905 176.094 0.121 0.000 1.035 231 V CA -0.320 62.056 62.300 0.127 0.000 0.873 231 V CB 1.618 33.525 31.823 0.140 0.000 0.992 231 V HN 1.040 nan 8.190 nan 0.000 0.428 232 M N 5.559 125.272 119.600 0.187 0.000 2.227 232 M HA 0.701 5.180 4.480 -0.003 0.000 0.335 232 M C -1.673 174.761 176.300 0.224 0.000 1.053 232 M CA -0.429 54.994 55.300 0.205 0.000 0.973 232 M CB 1.647 34.418 32.600 0.285 0.000 1.623 232 M HN 0.442 nan 8.290 nan 0.000 0.434 233 V N 4.477 124.451 119.914 0.099 0.000 2.384 233 V HA 0.383 4.501 4.120 -0.003 0.000 0.287 233 V C -0.985 175.075 176.094 -0.057 0.000 1.020 233 V CA -0.629 61.689 62.300 0.030 0.000 0.850 233 V CB 1.164 32.993 31.823 0.009 0.000 0.987 233 V HN 0.784 nan 8.190 nan 0.000 0.436 234 H N 3.872 122.713 119.070 -0.383 0.000 2.762 234 H HA 0.748 5.303 4.556 -0.003 0.000 0.310 234 H C -0.293 174.883 175.328 -0.254 0.000 1.004 234 H CA -0.171 55.624 56.048 -0.421 0.000 1.267 234 H CB 1.343 30.503 29.762 -1.005 0.000 1.437 234 H HN 0.868 nan 8.280 nan 0.000 0.498 235 T N 1.170 115.618 114.554 -0.176 0.000 2.769 235 T HA 0.714 5.062 4.350 -0.003 0.000 0.306 235 T C 0.065 174.461 174.700 -0.506 0.000 1.400 235 T CA -0.426 61.303 62.100 -0.619 0.000 1.007 235 T CB 1.810 70.435 68.868 -0.405 0.000 1.392 235 T HN 0.592 nan 8.240 nan 0.000 0.500 236 G N -0.051 108.374 108.800 -0.625 0.000 3.247 236 G HA2 0.544 4.503 3.960 -0.003 0.000 0.199 236 G HA3 0.544 4.503 3.960 -0.003 0.000 0.199 236 G C 0.439 175.247 174.900 -0.153 0.000 1.172 236 G CA -0.086 44.852 45.100 -0.271 0.000 0.844 236 G HN 1.325 nan 8.290 nan 0.000 0.619 237 S N 0.136 115.817 115.700 -0.032 0.000 2.614 237 S HA 0.266 4.735 4.470 -0.003 0.000 0.230 237 S C 1.208 175.901 174.600 0.156 0.000 0.952 237 S CA 0.124 58.400 58.200 0.127 0.000 0.949 237 S CB -0.101 63.138 63.200 0.066 0.000 0.786 237 S HN 0.666 nan 8.310 nan 0.000 0.478 238 R N 0.756 121.308 120.500 0.085 0.000 3.726 238 R HA -0.210 4.129 4.340 -0.003 0.000 0.510 238 R C 1.497 177.830 176.300 0.055 0.000 0.241 238 R CA 1.581 57.729 56.100 0.081 0.000 1.592 238 R CB -2.078 28.302 30.300 0.133 0.000 0.955 238 R HN 0.527 nan 8.270 nan 0.000 0.585 239 G N 0.394 109.205 108.800 0.017 0.000 2.484 239 G HA2 -0.039 3.919 3.960 -0.003 0.000 0.218 239 G HA3 -0.039 3.919 3.960 -0.003 0.000 0.218 239 G C 1.601 176.478 174.900 -0.038 0.000 1.130 239 G CA 0.872 45.965 45.100 -0.011 0.000 0.784 239 G HN 0.366 nan 8.290 nan 0.000 0.543 240 L N 0.661 121.782 121.223 -0.171 0.000 2.056 240 L HA 0.141 4.480 4.340 -0.003 0.000 0.207 240 L C 2.833 179.612 176.870 -0.151 0.000 1.078 240 L CA 1.804 56.467 54.840 -0.294 0.000 0.749 240 L CB -0.437 41.151 42.059 -0.786 0.000 0.901 240 L HN 0.202 nan 8.230 nan 0.000 0.433 241 G N -1.750 107.001 108.800 -0.082 0.000 2.404 241 G HA2 -0.318 3.641 3.960 -0.003 0.000 0.215 241 G HA3 -0.318 3.641 3.960 -0.003 0.000 0.215 241 G C 1.588 176.531 174.900 0.071 0.000 1.174 241 G CA 0.798 45.892 45.100 -0.011 0.000 0.780 241 G HN 0.551 nan 8.290 nan 0.000 0.537 242 H N 0.284 119.381 119.070 0.045 0.000 2.352 242 H HA -0.106 4.449 4.556 -0.003 0.000 0.299 242 H C 2.581 177.982 175.328 0.121 0.000 1.097 242 H CA 2.075 58.206 56.048 0.139 0.000 1.311 242 H CB -0.005 29.813 29.762 0.093 0.000 1.377 242 H HN 0.378 nan 8.280 nan 0.000 0.504 243 Q N 0.566 120.460 119.800 0.157 0.000 2.079 243 Q HA -0.068 4.271 4.340 -0.003 0.000 0.200 243 Q C 2.572 178.581 176.000 0.016 0.000 0.974 243 Q CA 1.585 57.431 55.803 0.073 0.000 0.840 243 Q CB -0.434 28.316 28.738 0.019 0.000 0.898 243 Q HN 0.290 nan 8.270 nan 0.000 0.430 244 V N 0.605 120.538 119.914 0.032 0.000 2.343 244 V HA -0.286 3.833 4.120 -0.003 0.000 0.247 244 V C 2.242 178.437 176.094 0.167 0.000 1.051 244 V CA 1.830 64.204 62.300 0.123 0.000 1.036 244 V CB -1.211 30.667 31.823 0.091 0.000 0.654 244 V HN 0.515 nan 8.190 nan 0.000 0.451 245 A N -0.533 122.293 122.820 0.009 0.000 1.877 245 A HA -0.206 4.112 4.320 -0.003 0.000 0.216 245 A C 2.487 179.916 177.584 -0.259 0.000 1.186 245 A CA 2.259 54.191 52.037 -0.174 0.000 0.620 245 A CB -0.734 17.965 19.000 -0.501 0.000 0.822 245 A HN 0.513 nan 8.150 nan 0.000 0.443 246 S N 0.268 115.849 115.700 -0.198 0.000 2.359 246 S HA -0.165 4.304 4.470 -0.003 0.000 0.224 246 S C 1.658 176.199 174.600 -0.098 0.000 1.035 246 S CA 1.449 59.582 58.200 -0.111 0.000 1.018 246 S CB -0.478 62.709 63.200 -0.021 0.000 0.876 246 S HN 0.606 nan 8.310 nan 0.000 0.448 247 D N 0.358 120.701 120.400 -0.096 0.000 2.104 247 D HA -0.099 4.539 4.640 -0.003 0.000 0.194 247 D C 1.634 177.745 176.300 -0.316 0.000 0.994 247 D CA 1.323 55.201 54.000 -0.203 0.000 0.830 247 D CB -0.357 40.290 40.800 -0.255 0.000 0.959 247 D HN 0.488 nan 8.370 nan 0.000 0.452 248 Y N 0.432 120.685 120.300 -0.077 0.000 2.457 248 Y HA 0.070 4.619 4.550 -0.003 0.000 0.292 248 Y C 2.373 178.164 175.900 -0.181 0.000 1.125 248 Y CA 0.173 58.209 58.100 -0.107 0.000 1.254 248 Y CB -0.117 38.300 38.460 -0.073 0.000 1.012 248 Y HN -0.070 nan 8.280 nan 0.000 0.555 249 L N -0.419 120.744 121.223 -0.100 0.000 2.056 249 L HA -0.224 4.115 4.340 -0.003 0.000 0.207 249 L C 2.683 179.532 176.870 -0.035 0.000 1.078 249 L CA 1.367 56.153 54.840 -0.090 0.000 0.749 249 L CB -0.376 41.617 42.059 -0.109 0.000 0.901 249 L HN 0.136 nan 8.230 nan 0.000 0.433 250 R N 0.637 121.106 120.500 -0.051 0.000 2.073 250 R HA -0.167 4.171 4.340 -0.003 0.000 0.234 250 R C 2.320 178.587 176.300 -0.054 0.000 1.134 250 R CA 1.521 57.601 56.100 -0.034 0.000 0.952 250 R CB -0.243 30.025 30.300 -0.054 0.000 0.850 250 R HN 0.271 nan 8.270 nan 0.000 0.433 251 I N 0.515 121.023 120.570 -0.103 0.000 2.208 251 I HA -0.329 3.839 4.170 -0.003 0.000 0.245 251 I C 2.381 178.473 176.117 -0.043 0.000 1.097 251 I CA 1.506 62.752 61.300 -0.090 0.000 1.363 251 I CB -0.105 37.804 38.000 -0.152 0.000 1.051 251 I HN 0.315 nan 8.210 nan 0.000 0.413 252 M N -0.476 119.097 119.600 -0.045 0.000 2.319 252 M HA -0.157 4.321 4.480 -0.003 0.000 0.265 252 M C 2.001 178.200 176.300 -0.167 0.000 1.068 252 M CA 1.442 56.693 55.300 -0.082 0.000 1.118 252 M CB -0.344 32.188 32.600 -0.113 0.000 1.395 252 M HN 0.155 nan 8.290 nan 0.000 0.435 253 E N 0.143 120.272 120.200 -0.119 0.000 2.153 253 E HA -0.200 4.149 4.350 -0.003 0.000 0.194 253 E C 2.094 178.647 176.600 -0.079 0.000 0.988 253 E CA 0.928 57.261 56.400 -0.111 0.000 0.811 253 E CB 0.005 29.777 29.700 0.121 0.000 0.746 253 E HN 0.383 nan 8.360 nan 0.000 0.466 254 R N 0.194 120.665 120.500 -0.048 0.000 2.080 254 R HA 0.045 4.383 4.340 -0.003 0.000 0.222 254 R C 2.145 178.404 176.300 -0.068 0.000 1.107 254 R CA 1.003 57.083 56.100 -0.034 0.000 0.980 254 R CB -0.064 30.222 30.300 -0.024 0.000 0.879 254 R HN 0.099 nan 8.270 nan 0.000 0.439 255 A N 1.244 124.024 122.820 -0.067 0.000 2.014 255 A HA -0.084 4.235 4.320 -0.003 0.000 0.218 255 A C 2.070 179.598 177.584 -0.092 0.000 1.163 255 A CA 0.835 52.836 52.037 -0.059 0.000 0.652 255 A CB -0.537 18.492 19.000 0.049 0.000 0.808 255 A HN 0.499 nan 8.150 nan 0.000 0.449 256 I N 0.591 121.092 120.570 -0.115 0.000 2.423 256 I HA -0.289 3.879 4.170 -0.003 0.000 0.254 256 I C 2.457 178.501 176.117 -0.121 0.000 1.151 256 I CA 1.602 62.837 61.300 -0.109 0.000 1.421 256 I CB -0.100 37.634 38.000 -0.443 0.000 1.079 256 I HN 0.520 nan 8.210 nan 0.000 0.431 257 R N 0.681 121.098 120.500 -0.138 0.000 2.328 257 R HA -0.130 4.208 4.340 -0.003 0.000 0.207 257 R C 1.567 177.765 176.300 -0.170 0.000 1.056 257 R CA 0.921 56.967 56.100 -0.090 0.000 1.016 257 R CB -0.494 29.780 30.300 -0.042 0.000 0.872 257 R HN 0.354 nan 8.270 nan 0.000 0.471 258 K N -0.127 120.053 120.400 -0.366 0.000 2.400 258 K HA 0.082 4.400 4.320 -0.003 0.000 0.194 258 K C -0.334 175.923 176.600 -0.571 0.000 1.033 258 K CA 0.439 56.391 56.287 -0.558 0.000 1.021 258 K CB 0.240 32.188 32.500 -0.919 0.000 0.808 258 K HN 0.171 nan 8.250 nan 0.000 0.505 259 Y N -0.297 119.973 120.300 -0.050 0.000 2.587 259 Y HA 0.390 4.938 4.550 -0.003 0.000 0.337 259 Y C 0.167 176.045 175.900 -0.038 0.000 1.065 259 Y CA -1.507 56.566 58.100 -0.046 0.000 1.126 259 Y CB 1.072 39.494 38.460 -0.064 0.000 1.279 259 Y HN -0.332 nan 8.280 nan 0.000 0.489 260 R N 2.254 122.843 120.500 0.148 0.000 3.235 260 R HA 0.364 4.703 4.340 -0.003 0.000 0.232 260 R C -1.771 174.561 176.300 0.054 0.000 1.475 260 R CA 0.130 56.274 56.100 0.074 0.000 1.405 260 R CB -0.850 29.481 30.300 0.052 0.000 1.266 260 R HN 0.444 nan 8.270 nan 0.000 0.650 261 I N 3.766 124.367 120.570 0.052 0.000 2.498 261 I HA 0.402 4.571 4.170 -0.003 0.000 0.290 261 I C -2.095 174.047 176.117 0.041 0.000 1.032 261 I CA -2.841 58.468 61.300 0.015 0.000 1.073 261 I CB 1.690 39.671 38.000 -0.031 0.000 1.251 261 I HN 0.298 nan 8.210 nan 0.000 0.426 262 P HA 0.050 nan 4.420 nan 0.000 0.268 262 P C -0.871 176.528 177.300 0.166 0.000 1.205 262 P CA 0.047 63.196 63.100 0.081 0.000 0.771 262 P CB 0.446 32.168 31.700 0.036 0.000 0.858 263 W N 6.441 127.724 121.300 -0.028 0.000 2.237 263 W HA 0.303 4.961 4.660 -0.003 0.000 0.289 263 W C -1.957 174.541 176.519 -0.036 0.000 0.988 263 W CA -2.199 55.130 57.345 -0.027 0.000 1.671 263 W CB 0.322 29.774 29.460 -0.012 0.000 1.746 263 W HN 0.350 nan 8.180 nan 0.000 0.380 264 P HA 0.026 nan 4.420 nan 0.000 0.233 264 P C -0.241 176.989 177.300 -0.116 0.000 1.167 264 P CA 1.132 64.216 63.100 -0.026 0.000 0.770 264 P CB 0.903 32.591 31.700 -0.021 0.000 0.837 265 D N -0.677 119.638 120.400 -0.141 0.000 2.927 265 D HA 0.077 4.716 4.640 -0.003 0.000 0.219 265 D C 0.647 176.784 176.300 -0.272 0.000 1.248 265 D CA -0.594 53.285 54.000 -0.201 0.000 0.861 265 D CB 2.025 42.764 40.800 -0.102 0.000 1.677 265 D HN -0.288 nan 8.370 nan 0.000 0.511 266 R N 2.293 122.563 120.500 -0.383 0.000 2.117 266 R HA -0.159 4.180 4.340 -0.003 0.000 0.243 266 R C 1.194 177.589 176.300 0.159 0.000 1.143 266 R CA 1.843 57.786 56.100 -0.260 0.000 0.968 266 R CB 0.170 30.347 30.300 -0.205 0.000 0.863 266 R HN 0.516 nan 8.270 nan 0.000 0.444 267 E N 0.097 120.246 120.200 -0.085 0.000 2.268 267 E HA -0.122 4.227 4.350 -0.003 0.000 0.195 267 E C 0.819 177.429 176.600 0.015 0.000 0.995 267 E CA 0.335 56.533 56.400 -0.336 0.000 0.836 267 E CB 0.033 29.199 29.700 -0.891 0.000 0.763 267 E HN 0.327 nan 8.360 nan 0.000 0.491 268 L N 2.419 123.746 121.223 0.173 0.000 2.934 268 L HA 0.176 4.514 4.340 -0.003 0.000 0.233 268 L C -0.219 176.838 176.870 0.312 0.000 1.358 268 L CA -0.285 54.703 54.840 0.247 0.000 1.233 268 L CB 0.442 42.587 42.059 0.144 0.000 1.594 268 L HN -0.052 nan 8.230 nan 0.000 0.439 269 V N 1.140 121.202 119.914 0.245 0.000 2.607 269 V HA 0.560 4.679 4.120 -0.003 0.000 0.289 269 V C 0.149 176.162 176.094 -0.135 0.000 1.053 269 V CA 0.126 62.350 62.300 -0.127 0.000 0.996 269 V CB 1.826 33.556 31.823 -0.155 0.000 0.995 269 V HN 0.720 nan 8.190 nan 0.000 0.476 270 S N 5.170 120.722 115.700 -0.247 0.000 2.615 270 S HA 0.851 5.319 4.470 -0.003 0.000 0.269 270 S C -0.949 173.527 174.600 -0.206 0.000 1.161 270 S CA -0.158 57.928 58.200 -0.190 0.000 0.817 270 S CB 1.582 64.675 63.200 -0.179 0.000 1.131 270 S HN 1.840 nan 8.310 nan 0.000 0.467 271 V N -3.336 116.467 119.914 -0.185 0.000 3.159 271 V HA 0.820 4.938 4.120 -0.003 0.000 0.308 271 V C -3.314 172.616 176.094 -0.274 0.000 1.190 271 V CA -2.895 59.259 62.300 -0.244 0.000 1.037 271 V CB 0.979 32.690 31.823 -0.187 0.000 1.060 271 V HN 0.738 nan 8.190 nan 0.000 0.437 272 P HA 0.096 nan 4.420 nan 0.000 0.264 272 P C 0.230 177.452 177.300 -0.131 0.000 1.183 272 P CA 0.195 63.128 63.100 -0.277 0.000 0.763 272 P CB 0.157 31.625 31.700 -0.387 0.000 0.807 273 F N 3.008 122.849 119.950 -0.181 0.000 2.161 273 F HA -0.202 4.324 4.527 -0.002 0.000 0.300 273 F C 1.634 177.362 175.800 -0.120 0.000 1.089 273 F CA 1.865 59.777 58.000 -0.146 0.000 1.282 273 F CB -0.335 38.586 39.000 -0.131 0.000 1.010 273 F HN 0.273 nan 8.300 nan 0.000 0.485 274 Q N 0.674 120.324 119.800 -0.250 0.000 2.444 274 Q HA 0.064 4.403 4.340 -0.003 0.000 0.206 274 Q C 1.151 177.022 176.000 -0.215 0.000 0.948 274 Q CA 0.613 56.234 55.803 -0.304 0.000 0.946 274 Q CB -0.740 27.898 28.738 -0.166 0.000 1.027 274 Q HN 0.497 nan 8.270 nan 0.000 0.513 275 S N 0.157 115.730 115.700 -0.212 0.000 2.596 275 S HA 0.028 4.496 4.470 -0.003 0.000 0.260 275 S C 1.236 175.789 174.600 -0.078 0.000 1.336 275 S CA -0.500 57.604 58.200 -0.160 0.000 0.993 275 S CB 1.458 64.466 63.200 -0.319 0.000 0.923 275 S HN 0.119 nan 8.310 nan 0.000 0.567 276 E N 1.139 121.343 120.200 0.006 0.000 2.058 276 E HA -0.222 4.127 4.350 -0.003 0.000 0.194 276 E C 1.660 178.293 176.600 0.055 0.000 0.997 276 E CA 2.057 58.476 56.400 0.032 0.000 0.801 276 E CB -0.472 29.268 29.700 0.068 0.000 0.746 276 E HN 0.819 nan 8.360 nan 0.000 0.450 277 E N -0.486 119.768 120.200 0.089 0.000 2.072 277 E HA -0.068 4.280 4.350 -0.003 0.000 0.191 277 E C 1.996 178.665 176.600 0.115 0.000 0.985 277 E CA 1.122 57.606 56.400 0.140 0.000 0.801 277 E CB -0.716 29.074 29.700 0.150 0.000 0.750 277 E HN 0.416 nan 8.360 nan 0.000 0.452 278 G N 0.769 109.586 108.800 0.029 0.000 2.421 278 G HA2 -0.288 3.671 3.960 -0.003 0.000 0.216 278 G HA3 -0.288 3.671 3.960 -0.003 0.000 0.216 278 G C 1.484 176.408 174.900 0.040 0.000 1.171 278 G CA 0.535 45.663 45.100 0.046 0.000 0.775 278 G HN 0.108 nan 8.290 nan 0.000 0.543 279 Q N 0.045 119.799 119.800 -0.078 0.000 2.167 279 Q HA 0.021 4.360 4.340 -0.003 0.000 0.202 279 Q C 2.687 178.683 176.000 -0.006 0.000 0.970 279 Q CA 0.730 56.486 55.803 -0.079 0.000 0.855 279 Q CB -0.231 28.426 28.738 -0.134 0.000 0.911 279 Q HN 0.470 nan 8.270 nan 0.000 0.438 280 R N -0.399 120.105 120.500 0.007 0.000 2.066 280 R HA -0.155 4.184 4.340 -0.003 0.000 0.232 280 R C 2.265 178.428 176.300 -0.227 0.000 1.131 280 R CA 1.328 57.427 56.100 -0.002 0.000 0.955 280 R CB -0.378 30.023 30.300 0.168 0.000 0.851 280 R HN 0.227 nan 8.270 nan 0.000 0.432 281 Y N 0.602 120.619 120.300 -0.471 0.000 2.128 281 Y HA -0.277 4.271 4.550 -0.003 0.000 0.284 281 Y C 1.866 177.552 175.900 -0.356 0.000 1.154 281 Y CA 1.522 59.083 58.100 -0.899 0.000 1.149 281 Y CB -0.763 37.375 38.460 -0.536 0.000 0.976 281 Y HN 0.047 nan 8.280 nan 0.000 0.505 282 F N 0.603 120.248 119.950 -0.509 0.000 2.161 282 F HA -0.273 4.253 4.527 -0.002 0.000 0.300 282 F C 2.683 178.259 175.800 -0.373 0.000 1.089 282 F CA 1.627 59.364 58.000 -0.438 0.000 1.282 282 F CB -0.284 38.689 39.000 -0.044 0.000 1.010 282 F HN 0.278 nan 8.300 nan 0.000 0.485 283 S N 0.159 115.682 115.700 -0.296 0.000 2.406 283 S HA -0.067 4.402 4.470 -0.003 0.000 0.228 283 S C 1.995 176.412 174.600 -0.305 0.000 1.020 283 S CA 0.609 58.627 58.200 -0.304 0.000 0.965 283 S CB -0.599 62.509 63.200 -0.155 0.000 0.798 283 S HN 0.370 nan 8.310 nan 0.000 0.488 284 A N 1.789 124.397 122.820 -0.353 0.000 1.970 284 A HA 0.289 4.607 4.320 -0.003 0.000 0.216 284 A C 2.208 179.595 177.584 -0.329 0.000 1.170 284 A CA 1.078 52.955 52.037 -0.267 0.000 0.645 284 A CB -0.631 18.253 19.000 -0.192 0.000 0.816 284 A HN 0.565 nan 8.150 nan 0.000 0.447 285 M N -0.095 119.173 119.600 -0.553 0.000 2.117 285 M HA -0.161 4.318 4.480 -0.003 0.000 0.262 285 M C 1.785 177.869 176.300 -0.359 0.000 1.065 285 M CA 1.886 56.879 55.300 -0.512 0.000 1.114 285 M CB -0.352 31.789 32.600 -0.765 0.000 1.361 285 M HN 0.360 nan 8.290 nan 0.000 0.408 286 K N 0.178 120.326 120.400 -0.420 0.000 2.097 286 K HA -0.090 4.228 4.320 -0.003 0.000 0.206 286 K C 2.018 178.525 176.600 -0.156 0.000 1.049 286 K CA 1.395 57.501 56.287 -0.302 0.000 0.933 286 K CB -0.266 32.000 32.500 -0.390 0.000 0.717 286 K HN 0.447 nan 8.250 nan 0.000 0.442 287 A N 1.532 124.257 122.820 -0.159 0.000 1.898 287 A HA -0.100 4.218 4.320 -0.003 0.000 0.216 287 A C 2.382 179.938 177.584 -0.046 0.000 1.181 287 A CA 1.785 53.774 52.037 -0.080 0.000 0.620 287 A CB -0.672 18.277 19.000 -0.084 0.000 0.819 287 A HN 0.320 nan 8.150 nan 0.000 0.442 288 A N -0.162 122.599 122.820 -0.099 0.000 1.933 288 A HA 0.182 4.500 4.320 -0.003 0.000 0.218 288 A C 2.489 180.034 177.584 -0.066 0.000 1.175 288 A CA 2.013 54.002 52.037 -0.080 0.000 0.628 288 A CB -0.965 17.966 19.000 -0.115 0.000 0.814 288 A HN 1.021 nan 8.150 nan 0.000 0.444 289 A N 0.466 123.194 122.820 -0.153 0.000 1.877 289 A HA -0.203 4.115 4.320 -0.003 0.000 0.216 289 A C 1.901 179.387 177.584 -0.163 0.000 1.186 289 A CA 1.820 53.663 52.037 -0.323 0.000 0.620 289 A CB -0.644 18.146 19.000 -0.351 0.000 0.822 289 A HN 0.538 nan 8.150 nan 0.000 0.443 290 N N -0.960 117.809 118.700 0.115 0.000 2.166 290 N HA -0.138 4.601 4.740 -0.003 0.000 0.186 290 N C 1.386 176.987 175.510 0.152 0.000 1.019 290 N CA 1.405 54.611 53.050 0.260 0.000 0.856 290 N CB -0.638 37.945 38.487 0.160 0.000 0.993 290 N HN 0.546 nan 8.380 nan 0.000 0.426 291 F N 1.694 121.605 119.950 -0.066 0.000 2.102 291 F HA -0.117 4.409 4.527 -0.003 0.000 0.298 291 F C 2.200 177.930 175.800 -0.118 0.000 1.105 291 F CA 1.400 59.334 58.000 -0.110 0.000 1.239 291 F CB -0.347 38.578 39.000 -0.126 0.000 0.991 291 F HN 0.042 nan 8.300 nan 0.000 0.474 292 A N -0.141 122.651 122.820 -0.046 0.000 1.933 292 A HA -0.189 4.129 4.320 -0.003 0.000 0.218 292 A C 2.161 179.608 177.584 -0.227 0.000 1.175 292 A CA 1.427 53.336 52.037 -0.214 0.000 0.628 292 A CB -1.444 17.367 19.000 -0.316 0.000 0.814 292 A HN 0.645 nan 8.150 nan 0.000 0.444 293 W N -0.350 120.860 121.300 -0.149 0.000 2.388 293 W HA -0.003 4.655 4.660 -0.003 0.000 0.294 293 W C 2.748 179.158 176.519 -0.183 0.000 1.212 293 W CA 0.920 58.169 57.345 -0.161 0.000 1.271 293 W CB -0.858 28.523 29.460 -0.131 0.000 1.126 293 W HN 0.467 nan 8.180 nan 0.000 0.535 294 A N 0.452 123.288 122.820 0.028 0.000 1.902 294 A HA -0.260 4.058 4.320 -0.003 0.000 0.217 294 A C 1.871 179.322 177.584 -0.222 0.000 1.181 294 A CA 2.108 54.113 52.037 -0.052 0.000 0.623 294 A CB -1.098 17.861 19.000 -0.068 0.000 0.818 294 A HN 0.321 nan 8.150 nan 0.000 0.443 295 N N -0.451 118.047 118.700 -0.337 0.000 2.120 295 N HA -0.164 4.574 4.740 -0.003 0.000 0.188 295 N C 1.829 177.169 175.510 -0.283 0.000 1.024 295 N CA 1.751 54.580 53.050 -0.369 0.000 0.852 295 N CB -0.278 37.974 38.487 -0.392 0.000 1.003 295 N HN 0.454 nan 8.380 nan 0.000 0.424 296 R N -0.546 119.835 120.500 -0.199 0.000 2.115 296 R HA -0.048 4.290 4.340 -0.003 0.000 0.230 296 R C 1.976 178.172 176.300 -0.174 0.000 1.111 296 R CA 1.025 57.035 56.100 -0.150 0.000 0.976 296 R CB -0.146 30.108 30.300 -0.076 0.000 0.870 296 R HN 0.266 nan 8.270 nan 0.000 0.445 297 Q N 0.174 119.865 119.800 -0.182 0.000 2.119 297 Q HA -0.058 4.280 4.340 -0.003 0.000 0.201 297 Q C 1.759 177.559 176.000 -0.333 0.000 0.972 297 Q CA 1.700 57.379 55.803 -0.206 0.000 0.847 297 Q CB 0.058 28.707 28.738 -0.148 0.000 0.903 297 Q HN 0.291 nan 8.270 nan 0.000 0.433 298 M N -0.813 118.458 119.600 -0.549 0.000 2.099 298 M HA -0.108 4.371 4.480 -0.003 0.000 0.262 298 M C 2.017 177.675 176.300 -1.070 0.000 1.067 298 M CA 1.337 56.017 55.300 -1.033 0.000 1.124 298 M CB -0.288 31.498 32.600 -1.355 0.000 1.353 298 M HN 0.203 nan 8.290 nan 0.000 0.410 299 I N -0.244 119.947 120.570 -0.631 0.000 2.226 299 I HA -0.277 3.892 4.170 -0.003 0.000 0.245 299 I C 2.323 178.361 176.117 -0.132 0.000 1.100 299 I CA 1.348 62.506 61.300 -0.238 0.000 1.374 299 I CB -0.684 37.282 38.000 -0.056 0.000 1.057 299 I HN 0.328 nan 8.210 nan 0.000 0.413 300 T N -0.944 113.504 114.554 -0.176 0.000 2.699 300 T HA -0.304 4.044 4.350 -0.003 0.000 0.268 300 T C 1.859 176.473 174.700 -0.144 0.000 1.036 300 T CA 1.987 63.999 62.100 -0.146 0.000 1.147 300 T CB -0.465 68.284 68.868 -0.199 0.000 0.862 300 T HN 0.442 nan 8.240 nan 0.000 0.446 301 H N -0.377 118.516 119.070 -0.295 0.000 2.353 301 H HA -0.084 4.470 4.556 -0.003 0.000 0.300 301 H C 1.851 177.177 175.328 -0.003 0.000 1.090 301 H CA 1.685 57.601 56.048 -0.221 0.000 1.327 301 H CB -0.202 29.427 29.762 -0.221 0.000 1.383 301 H HN 0.379 nan 8.280 nan 0.000 0.508 302 W N -0.101 121.258 121.300 0.099 0.000 2.467 302 W HA -0.025 4.633 4.660 -0.003 0.000 0.275 302 W C 2.310 178.863 176.519 0.056 0.000 1.239 302 W CA 0.689 58.068 57.345 0.056 0.000 1.266 302 W CB -1.014 28.506 29.460 0.101 0.000 1.112 302 W HN 0.129 nan 8.180 nan 0.000 0.576 303 V N 0.882 120.947 119.914 0.252 0.000 2.307 303 V HA -0.277 3.841 4.120 -0.003 0.000 0.245 303 V C 2.455 178.714 176.094 0.275 0.000 1.045 303 V CA 1.861 64.319 62.300 0.263 0.000 1.024 303 V CB -0.643 31.281 31.823 0.169 0.000 0.651 303 V HN 0.060 nan 8.190 nan 0.000 0.449 304 R N -0.189 120.363 120.500 0.085 0.000 2.081 304 R HA -0.157 4.182 4.340 -0.003 0.000 0.235 304 R C 2.285 178.673 176.300 0.148 0.000 1.131 304 R CA 1.638 57.778 56.100 0.067 0.000 0.960 304 R CB -0.303 29.953 30.300 -0.073 0.000 0.856 304 R HN 0.617 nan 8.270 nan 0.000 0.436 305 E N 0.145 120.387 120.200 0.070 0.000 2.110 305 E HA -0.139 4.209 4.350 -0.003 0.000 0.193 305 E C 2.043 178.735 176.600 0.153 0.000 0.988 305 E CA 1.333 57.783 56.400 0.084 0.000 0.804 305 E CB 0.019 29.757 29.700 0.063 0.000 0.745 305 E HN 0.221 nan 8.360 nan 0.000 0.458 306 S N 0.629 116.452 115.700 0.204 0.000 2.356 306 S HA -0.128 4.341 4.470 -0.003 0.000 0.223 306 S C 1.679 176.377 174.600 0.164 0.000 1.032 306 S CA 0.991 59.288 58.200 0.161 0.000 1.005 306 S CB -0.298 63.009 63.200 0.179 0.000 0.867 306 S HN 0.179 nan 8.310 nan 0.000 0.449 307 F N 1.737 121.782 119.950 0.160 0.000 2.171 307 F HA -0.096 4.429 4.527 -0.003 0.000 0.300 307 F C 2.702 178.663 175.800 0.268 0.000 1.090 307 F CA 1.251 59.427 58.000 0.293 0.000 1.293 307 F CB -0.548 38.630 39.000 0.297 0.000 1.013 307 F HN 0.213 nan 8.300 nan 0.000 0.486 308 Q N 0.378 120.387 119.800 0.347 0.000 2.084 308 Q HA -0.217 4.121 4.340 -0.003 0.000 0.202 308 Q C 2.065 178.148 176.000 0.139 0.000 0.978 308 Q CA 1.906 57.848 55.803 0.232 0.000 0.844 308 Q CB -0.140 28.698 28.738 0.168 0.000 0.898 308 Q HN 0.451 nan 8.270 nan 0.000 0.426 309 E N -0.700 119.550 120.200 0.084 0.000 2.058 309 E HA -0.185 4.163 4.350 -0.003 0.000 0.194 309 E C 2.045 178.602 176.600 -0.070 0.000 0.997 309 E CA 1.600 58.006 56.400 0.010 0.000 0.801 309 E CB 0.080 29.777 29.700 -0.006 0.000 0.746 309 E HN 0.232 nan 8.360 nan 0.000 0.450 310 V N 0.145 119.952 119.914 -0.177 0.000 2.323 310 V HA -0.192 3.927 4.120 -0.003 0.000 0.244 310 V C 1.712 177.492 176.094 -0.524 0.000 1.041 310 V CA 1.640 63.669 62.300 -0.451 0.000 1.025 310 V CB -0.350 31.003 31.823 -0.784 0.000 0.656 310 V HN 0.206 nan 8.190 nan 0.000 0.451 311 F N -0.754 119.209 119.950 0.021 0.000 2.746 311 F HA 0.290 4.815 4.527 -0.003 0.000 0.297 311 F C 1.114 176.947 175.800 0.055 0.000 1.113 311 F CA -0.240 57.788 58.000 0.047 0.000 1.367 311 F CB -0.065 38.991 39.000 0.095 0.000 1.111 311 F HN -0.047 nan 8.300 nan 0.000 0.590 312 K N 1.623 122.124 120.400 0.169 0.000 3.150 312 K HA -0.215 4.104 4.320 -0.003 0.000 0.267 312 K C -0.815 175.874 176.600 0.148 0.000 1.028 312 K CA 0.460 56.822 56.287 0.125 0.000 0.753 312 K CB -1.614 30.935 32.500 0.081 0.000 1.288 312 K HN 0.449 nan 8.250 nan 0.000 0.473 313 Q N -0.386 119.525 119.800 0.186 0.000 2.379 313 Q HA 0.239 4.578 4.340 -0.003 0.000 0.278 313 Q C -1.136 174.954 176.000 0.151 0.000 1.068 313 Q CA -1.189 54.706 55.803 0.154 0.000 0.816 313 Q CB 2.087 30.923 28.738 0.164 0.000 1.387 313 Q HN 0.187 nan 8.270 nan 0.000 0.413 314 D N 2.122 122.589 120.400 0.111 0.000 2.401 314 D HA 0.067 4.705 4.640 -0.003 0.000 0.254 314 D C -1.802 174.578 176.300 0.134 0.000 1.192 314 D CA -1.567 52.497 54.000 0.108 0.000 0.885 314 D CB 1.218 42.055 40.800 0.062 0.000 1.147 314 D HN 0.130 nan 8.370 nan 0.000 0.478 315 P HA -0.163 nan 4.420 nan 0.000 0.216 315 P C 0.868 178.333 177.300 0.275 0.000 1.150 315 P CA 1.141 64.378 63.100 0.229 0.000 0.843 315 P CB 0.306 32.170 31.700 0.273 0.000 0.787 316 E N -0.907 119.419 120.200 0.209 0.000 2.021 316 E HA -0.044 4.305 4.350 -0.003 0.000 0.191 316 E C 2.267 178.844 176.600 -0.039 0.000 0.971 316 E CA 1.024 57.411 56.400 -0.021 0.000 0.825 316 E CB -1.001 28.412 29.700 -0.478 0.000 0.788 316 E HN 0.039 nan 8.360 nan 0.000 0.460 317 G N 0.687 109.452 108.800 -0.057 0.000 2.421 317 G HA2 -0.258 3.701 3.960 -0.003 0.000 0.216 317 G HA3 -0.258 3.701 3.960 -0.003 0.000 0.216 317 G C 1.216 176.117 174.900 0.002 0.000 1.171 317 G CA 1.253 46.330 45.100 -0.038 0.000 0.775 317 G HN 0.279 nan 8.290 nan 0.000 0.543 318 D N 0.286 120.703 120.400 0.029 0.000 2.149 318 D HA 0.031 4.670 4.640 -0.003 0.000 0.206 318 D C 2.577 178.905 176.300 0.046 0.000 0.967 318 D CA 0.488 54.511 54.000 0.039 0.000 0.848 318 D CB -0.111 40.723 40.800 0.057 0.000 0.998 318 D HN 0.287 nan 8.370 nan 0.000 0.474 319 L N 0.083 121.345 121.223 0.065 0.000 2.509 319 L HA 0.209 4.548 4.340 -0.003 0.000 0.222 319 L C 1.139 178.042 176.870 0.056 0.000 1.123 319 L CA 0.188 55.060 54.840 0.053 0.000 0.856 319 L CB -0.233 41.863 42.059 0.061 0.000 0.985 319 L HN 0.034 nan 8.230 nan 0.000 0.456 320 G N 1.465 110.315 108.800 0.082 0.000 2.366 320 G HA2 -0.320 3.639 3.960 -0.003 0.000 0.299 320 G HA3 -0.320 3.639 3.960 -0.003 0.000 0.299 320 G C 0.393 175.374 174.900 0.136 0.000 1.020 320 G CA 0.148 45.310 45.100 0.104 0.000 1.026 320 G HN 0.373 nan 8.290 nan 0.000 0.512 321 M N 1.073 120.789 119.600 0.192 0.000 3.742 321 M HA 0.137 4.616 4.480 -0.003 0.000 0.197 321 M C 0.097 176.478 176.300 0.135 0.000 1.417 321 M CA -0.012 55.344 55.300 0.093 0.000 1.653 321 M CB -0.138 32.442 32.600 -0.032 0.000 1.079 321 M HN 0.135 nan 8.290 nan 0.000 0.558 322 D N 1.239 121.760 120.400 0.203 0.000 2.344 322 D HA 0.305 4.943 4.640 -0.003 0.000 0.244 322 D C 0.099 176.446 176.300 0.079 0.000 1.134 322 D CA -0.003 54.124 54.000 0.211 0.000 0.930 322 D CB 1.692 42.623 40.800 0.218 0.000 1.175 322 D HN 0.306 nan 8.370 nan 0.000 0.437 323 I N 1.589 122.191 120.570 0.054 0.000 2.441 323 I HA -0.055 4.114 4.170 -0.003 0.000 0.287 323 I C 1.621 177.811 176.117 0.122 0.000 1.049 323 I CA -0.482 60.839 61.300 0.034 0.000 1.381 323 I CB 1.406 39.401 38.000 -0.008 0.000 1.409 323 I HN 0.164 nan 8.210 nan 0.000 0.523 324 V N 6.552 126.536 119.914 0.116 0.000 2.273 324 V HA -0.083 4.036 4.120 -0.003 0.000 0.242 324 V C -0.016 176.224 176.094 0.244 0.000 1.035 324 V CA 1.316 63.709 62.300 0.154 0.000 1.013 324 V CB -0.323 31.517 31.823 0.029 0.000 0.652 324 V HN 0.694 nan 8.190 nan 0.000 0.452 325 Y N -1.355 118.924 120.300 -0.035 0.000 2.779 325 Y HA 0.489 5.037 4.550 -0.003 0.000 0.340 325 Y C -1.941 173.942 175.900 -0.028 0.000 1.252 325 Y CA -1.881 56.199 58.100 -0.034 0.000 1.072 325 Y CB 1.587 39.962 38.460 -0.142 0.000 1.343 325 Y HN 0.099 nan 8.280 nan 0.000 0.450 326 D N 2.225 122.327 120.400 -0.497 0.000 2.855 326 D HA 0.534 5.173 4.640 -0.003 0.000 0.241 326 D C -1.774 174.312 176.300 -0.358 0.000 1.277 326 D CA -0.154 53.675 54.000 -0.286 0.000 0.918 326 D CB 1.771 42.467 40.800 -0.174 0.000 1.462 326 D HN 0.560 nan 8.370 nan 0.000 0.559 327 V N 0.448 120.264 119.914 -0.164 0.000 2.823 327 V HA 0.965 5.084 4.120 -0.003 0.000 0.312 327 V C -0.039 175.910 176.094 -0.241 0.000 1.072 327 V CA -0.962 61.267 62.300 -0.117 0.000 0.937 327 V CB 1.246 33.064 31.823 -0.008 0.000 1.013 327 V HN 0.661 nan 8.190 nan 0.000 0.430 328 A N 1.357 124.087 122.820 -0.150 0.000 2.293 328 A HA 0.708 5.026 4.320 -0.003 0.000 0.302 328 A C 0.247 177.687 177.584 -0.239 0.000 1.119 328 A CA -0.297 51.580 52.037 -0.267 0.000 0.823 328 A CB 0.266 19.143 19.000 -0.205 0.000 1.097 328 A HN 1.131 nan 8.150 nan 0.000 0.491 329 H N -0.136 118.845 119.070 -0.148 0.000 3.046 329 H HA 0.182 4.737 4.556 -0.002 0.000 0.262 329 H C -0.600 174.644 175.328 -0.140 0.000 1.044 329 H CA -0.220 55.710 56.048 -0.195 0.000 1.209 329 H CB 0.617 30.105 29.762 -0.456 0.000 1.507 329 H HN 0.549 nan 8.280 nan 0.000 0.507 330 N N 1.466 120.159 118.700 -0.012 0.000 2.617 330 N HA 0.407 5.145 4.740 -0.003 0.000 0.263 330 N C -1.435 174.040 175.510 -0.057 0.000 1.074 330 N CA -0.121 52.921 53.050 -0.014 0.000 0.841 330 N CB 1.908 40.396 38.487 0.000 0.000 1.221 330 N HN 0.229 nan 8.380 nan 0.000 0.529 331 I N -0.542 120.006 120.570 -0.037 0.000 2.961 331 I HA 0.588 4.756 4.170 -0.003 0.000 0.303 331 I C -1.025 175.074 176.117 -0.030 0.000 1.505 331 I CA -0.780 60.488 61.300 -0.054 0.000 0.964 331 I CB 2.144 40.100 38.000 -0.073 0.000 1.348 331 I HN 0.423 nan 8.210 nan 0.000 0.508 332 G N 4.084 112.875 108.800 -0.015 0.000 2.461 332 G HA2 0.712 4.671 3.960 -0.003 0.000 0.323 332 G HA3 0.712 4.671 3.960 -0.003 0.000 0.323 332 G C -1.647 173.331 174.900 0.130 0.000 1.229 332 G CA -0.401 44.673 45.100 -0.043 0.000 0.941 332 G HN 0.334 nan 8.290 nan 0.000 0.477 333 K N 1.472 121.913 120.400 0.068 0.000 2.464 333 K HA 0.457 4.776 4.320 -0.003 0.000 0.253 333 K C -1.041 175.612 176.600 0.089 0.000 0.933 333 K CA -0.897 55.485 56.287 0.159 0.000 0.801 333 K CB 2.682 35.261 32.500 0.131 0.000 1.271 333 K HN 0.261 nan 8.250 nan 0.000 0.430 334 V N 2.798 122.813 119.914 0.168 0.000 2.406 334 V HA 0.266 4.385 4.120 -0.003 0.000 0.272 334 V C -0.044 176.150 176.094 0.168 0.000 1.043 334 V CA -0.211 62.150 62.300 0.102 0.000 0.915 334 V CB 0.719 32.649 31.823 0.179 0.000 0.988 334 V HN 0.646 nan 8.190 nan 0.000 0.466 335 E N 3.017 123.322 120.200 0.175 0.000 2.393 335 E HA 0.462 4.811 4.350 -0.003 0.000 0.273 335 E C -1.019 175.643 176.600 0.103 0.000 0.918 335 E CA -0.869 55.653 56.400 0.202 0.000 0.773 335 E CB 2.791 32.720 29.700 0.382 0.000 1.275 335 E HN 0.703 nan 8.360 nan 0.000 0.451 336 E N 1.964 122.134 120.200 -0.050 0.000 2.174 336 E HA 0.216 4.564 4.350 -0.003 0.000 0.282 336 E C -0.991 175.386 176.600 -0.371 0.000 0.992 336 E CA -0.321 56.016 56.400 -0.105 0.000 0.803 336 E CB 0.707 30.361 29.700 -0.078 0.000 1.090 336 E HN 0.420 nan 8.360 nan 0.000 0.396 337 H N 2.533 121.628 119.070 0.041 0.000 2.941 337 H HA 0.367 4.922 4.556 -0.002 0.000 0.344 337 H C -0.871 174.437 175.328 -0.034 0.000 1.235 337 H CA -0.754 55.317 56.048 0.037 0.000 1.149 337 H CB 1.843 31.712 29.762 0.178 0.000 1.885 337 H HN 0.564 nan 8.280 nan 0.000 0.558 338 E N 1.087 121.340 120.200 0.088 0.000 2.187 338 E HA 0.470 4.819 4.350 -0.003 0.000 0.268 338 E C -1.277 175.290 176.600 -0.055 0.000 0.896 338 E CA -0.688 55.704 56.400 -0.013 0.000 0.766 338 E CB 2.340 32.025 29.700 -0.025 0.000 1.142 338 E HN 0.115 nan 8.360 nan 0.000 0.408 339 V N 3.675 123.534 119.914 -0.092 0.000 2.623 339 V HA 0.143 4.261 4.120 -0.003 0.000 0.304 339 V C -0.534 175.529 176.094 -0.051 0.000 1.054 339 V CA -0.827 61.413 62.300 -0.101 0.000 0.882 339 V CB 1.824 33.536 31.823 -0.185 0.000 1.002 339 V HN 0.819 nan 8.190 nan 0.000 0.424 340 D N 3.954 124.337 120.400 -0.029 0.000 2.723 340 D HA -0.190 4.449 4.640 -0.003 0.000 0.236 340 D C 1.362 177.657 176.300 -0.008 0.000 1.138 340 D CA 1.752 55.749 54.000 -0.006 0.000 0.676 340 D CB -1.034 39.777 40.800 0.018 0.000 1.069 340 D HN 1.512 nan 8.370 nan 0.000 0.430 341 G N -0.695 108.094 108.800 -0.018 0.000 2.189 341 G HA2 -0.391 3.567 3.960 -0.003 0.000 0.267 341 G HA3 -0.391 3.567 3.960 -0.003 0.000 0.267 341 G C 0.279 175.168 174.900 -0.018 0.000 0.975 341 G CA 1.123 46.213 45.100 -0.016 0.000 0.644 341 G HN 0.519 nan 8.290 nan 0.000 0.537 342 K N 0.159 120.545 120.400 -0.022 0.000 2.207 342 K HA 0.625 4.943 4.320 -0.003 0.000 0.255 342 K C 0.357 176.933 176.600 -0.040 0.000 0.941 342 K CA -0.890 55.384 56.287 -0.022 0.000 0.825 342 K CB 1.572 34.068 32.500 -0.007 0.000 1.119 342 K HN 0.158 nan 8.250 nan 0.000 0.430 343 R N 1.531 122.012 120.500 -0.031 0.000 2.389 343 R HA 0.221 4.560 4.340 -0.003 0.000 0.295 343 R C -0.165 176.112 176.300 -0.037 0.000 1.075 343 R CA -0.439 55.640 56.100 -0.036 0.000 1.005 343 R CB 0.607 30.889 30.300 -0.029 0.000 0.987 343 R HN 0.490 nan 8.270 nan 0.000 0.452 344 V N -0.464 119.416 119.914 -0.057 0.000 3.001 344 V HA 0.561 4.679 4.120 -0.003 0.000 0.314 344 V C -0.718 175.377 176.094 0.002 0.000 1.099 344 V CA -1.133 61.130 62.300 -0.062 0.000 0.989 344 V CB 2.134 33.783 31.823 -0.289 0.000 1.040 344 V HN 0.643 nan 8.190 nan 0.000 0.434 345 K N 1.976 122.409 120.400 0.054 0.000 2.235 345 K HA 0.798 5.117 4.320 -0.003 0.000 0.266 345 K C -0.951 175.716 176.600 0.112 0.000 0.980 345 K CA -0.558 55.780 56.287 0.084 0.000 0.849 345 K CB 1.806 34.361 32.500 0.092 0.000 1.098 345 K HN 1.070 nan 8.250 nan 0.000 0.445 346 V N 1.304 121.281 119.914 0.104 0.000 3.078 346 V HA 0.570 4.689 4.120 -0.003 0.000 0.311 346 V C -0.867 175.198 176.094 -0.049 0.000 1.138 346 V CA -1.253 61.082 62.300 0.060 0.000 1.007 346 V CB 1.619 33.461 31.823 0.032 0.000 1.045 346 V HN 0.721 nan 8.190 nan 0.000 0.432 347 I N 3.085 123.544 120.570 -0.185 0.000 2.306 347 I HA 0.573 4.742 4.170 -0.003 0.000 0.288 347 I C -0.314 175.762 176.117 -0.068 0.000 1.036 347 I CA -0.362 60.701 61.300 -0.395 0.000 1.221 347 I CB 0.877 38.226 38.000 -1.084 0.000 1.385 347 I HN 0.534 nan 8.210 nan 0.000 0.472 348 V N 8.194 128.082 119.914 -0.043 0.000 2.406 348 V HA 0.249 4.367 4.120 -0.003 0.000 0.272 348 V C -0.349 175.798 176.094 0.088 0.000 1.043 348 V CA -0.503 61.817 62.300 0.033 0.000 0.915 348 V CB 0.435 32.289 31.823 0.052 0.000 0.988 348 V HN 0.571 nan 8.190 nan 0.000 0.466 349 H N 4.467 123.548 119.070 0.018 0.000 2.640 349 H HA 0.525 5.080 4.556 -0.002 0.000 0.297 349 H C 0.119 175.472 175.328 0.043 0.000 1.073 349 H CA -0.216 55.850 56.048 0.030 0.000 1.305 349 H CB 0.435 30.230 29.762 0.055 0.000 1.404 349 H HN 0.473 nan 8.280 nan 0.000 0.459 350 R N 3.022 123.594 120.500 0.119 0.000 2.310 350 R HA 0.334 4.673 4.340 -0.003 0.000 0.324 350 R C -0.406 175.940 176.300 0.076 0.000 0.955 350 R CA -0.702 55.463 56.100 0.107 0.000 0.830 350 R CB 1.707 32.059 30.300 0.087 0.000 1.154 350 R HN 0.400 nan 8.270 nan 0.000 0.458 351 K N 1.565 122.021 120.400 0.093 0.000 2.507 351 K HA 0.222 4.540 4.320 -0.003 0.000 0.253 351 K C 0.024 176.673 176.600 0.082 0.000 0.969 351 K CA -0.113 56.217 56.287 0.071 0.000 0.908 351 K CB 1.532 34.074 32.500 0.070 0.000 1.127 351 K HN 0.855 nan 8.250 nan 0.000 0.437 352 G N 2.354 111.182 108.800 0.046 0.000 2.246 352 G HA2 -0.222 3.737 3.960 -0.003 0.000 0.273 352 G HA3 -0.222 3.737 3.960 -0.003 0.000 0.273 352 G C -0.319 174.621 174.900 0.066 0.000 1.055 352 G CA 0.406 45.534 45.100 0.046 0.000 0.851 352 G HN 0.788 nan 8.290 nan 0.000 0.500 353 A N -1.139 121.703 122.820 0.037 0.000 2.572 353 A HA 0.947 5.266 4.320 -0.003 0.000 0.295 353 A C -0.102 177.550 177.584 0.112 0.000 1.072 353 A CA 0.257 52.342 52.037 0.080 0.000 0.691 353 A CB 1.545 20.609 19.000 0.108 0.000 1.291 353 A HN 0.891 nan 8.150 nan 0.000 0.404 354 T N 0.953 115.588 114.554 0.135 0.000 2.885 354 T HA 0.535 4.883 4.350 -0.003 0.000 0.285 354 T C 0.202 174.963 174.700 0.102 0.000 1.019 354 T CA -0.571 61.642 62.100 0.188 0.000 1.010 354 T CB 1.350 70.364 68.868 0.243 0.000 1.022 354 T HN 0.714 nan 8.240 nan 0.000 0.466 355 R N 1.090 121.621 120.500 0.052 0.000 2.594 355 R HA 0.515 4.853 4.340 -0.003 0.000 0.272 355 R C -0.392 175.910 176.300 0.002 0.000 1.074 355 R CA -0.169 55.904 56.100 -0.045 0.000 1.105 355 R CB 0.240 30.388 30.300 -0.254 0.000 1.008 355 R HN 0.773 nan 8.270 nan 0.000 0.472 356 A N 5.881 128.738 122.820 0.062 0.000 3.410 356 A HA 0.279 4.597 4.320 -0.003 0.000 0.276 356 A C -0.615 177.125 177.584 0.261 0.000 0.995 356 A CA -0.623 51.485 52.037 0.119 0.000 0.934 356 A CB 0.077 19.135 19.000 0.097 0.000 1.191 356 A HN 0.701 nan 8.150 nan 0.000 0.511 357 F N 2.130 122.074 119.950 -0.011 0.000 2.563 357 F HA 0.184 4.709 4.527 -0.003 0.000 0.363 357 F C -1.314 174.493 175.800 0.011 0.000 1.123 357 F CA -1.503 56.459 58.000 -0.063 0.000 1.307 357 F CB 1.069 39.908 39.000 -0.270 0.000 1.115 357 F HN 0.311 nan 8.300 nan 0.000 0.592 358 P HA 0.213 nan 4.420 nan 0.000 0.276 358 P C -2.770 174.613 177.300 0.140 0.000 1.261 358 P CA -1.944 61.235 63.100 0.132 0.000 0.800 358 P CB 0.311 32.063 31.700 0.086 0.000 1.066 359 P HA 0.069 nan 4.420 nan 0.000 0.267 359 P C 1.046 178.396 177.300 0.084 0.000 1.200 359 P CA 1.437 64.593 63.100 0.094 0.000 0.772 359 P CB -0.261 31.476 31.700 0.062 0.000 0.855 360 G N 0.681 109.531 108.800 0.084 0.000 2.225 360 G HA2 -0.255 3.704 3.960 -0.003 0.000 0.254 360 G HA3 -0.255 3.704 3.960 -0.003 0.000 0.254 360 G C 0.377 175.303 174.900 0.043 0.000 0.988 360 G CA -0.119 45.010 45.100 0.049 0.000 0.625 360 G HN 0.746 nan 8.290 nan 0.000 0.527 361 H N 2.126 121.203 119.070 0.012 0.000 2.886 361 H HA 0.249 4.804 4.556 -0.003 0.000 0.329 361 H C 1.818 177.171 175.328 0.041 0.000 1.044 361 H CA 0.801 56.840 56.048 -0.015 0.000 1.456 361 H CB 1.118 30.851 29.762 -0.048 0.000 1.464 361 H HN 0.449 nan 8.280 nan 0.000 0.573 362 E N 4.255 124.430 120.200 -0.042 0.000 2.338 362 E HA -0.106 4.243 4.350 -0.003 0.000 0.197 362 E C 1.016 177.765 176.600 0.248 0.000 1.007 362 E CA 0.955 57.403 56.400 0.081 0.000 0.849 362 E CB -0.129 29.555 29.700 -0.027 0.000 0.774 362 E HN 0.586 nan 8.360 nan 0.000 0.506 363 A N 0.999 124.148 122.820 0.549 0.000 2.251 363 A HA 0.212 4.531 4.320 -0.003 0.000 0.209 363 A C 0.958 178.735 177.584 0.321 0.000 1.187 363 A CA -0.067 52.217 52.037 0.411 0.000 0.823 363 A CB 0.155 19.459 19.000 0.506 0.000 0.846 363 A HN 0.083 nan 8.150 nan 0.000 0.486 364 V N 1.690 121.799 119.914 0.325 0.000 2.546 364 V HA 0.216 4.335 4.120 -0.003 0.000 0.284 364 V C -2.312 173.893 176.094 0.186 0.000 1.050 364 V CA -1.745 60.698 62.300 0.239 0.000 0.981 364 V CB 1.142 33.103 31.823 0.229 0.000 0.990 364 V HN 0.179 nan 8.190 nan 0.000 0.474 365 P HA 0.054 nan 4.420 nan 0.000 0.265 365 P C 0.629 177.938 177.300 0.015 0.000 1.187 365 P CA 0.011 63.151 63.100 0.067 0.000 0.766 365 P CB 0.506 32.208 31.700 0.002 0.000 0.820 366 R N 3.759 124.252 120.500 -0.011 0.000 2.119 366 R HA -0.192 4.146 4.340 -0.003 0.000 0.246 366 R C 1.730 178.005 176.300 -0.041 0.000 1.146 366 R CA 1.987 58.082 56.100 -0.010 0.000 0.962 366 R CB -1.333 28.956 30.300 -0.018 0.000 0.863 366 R HN 0.443 nan 8.270 nan 0.000 0.442 367 L N -1.671 119.456 121.223 -0.159 0.000 2.456 367 L HA -0.042 4.297 4.340 -0.003 0.000 0.224 367 L C 1.070 177.903 176.870 -0.061 0.000 1.148 367 L CA 1.348 56.079 54.840 -0.182 0.000 0.825 367 L CB -1.440 40.438 42.059 -0.302 0.000 0.937 367 L HN 0.271 nan 8.230 nan 0.000 0.450 368 Y N -1.287 119.066 120.300 0.087 0.000 2.445 368 Y HA 0.290 4.839 4.550 -0.002 0.000 0.247 368 Y C 2.502 178.462 175.900 0.101 0.000 1.129 368 Y CA -0.482 57.693 58.100 0.124 0.000 1.251 368 Y CB 0.174 38.683 38.460 0.082 0.000 1.176 368 Y HN 0.054 nan 8.280 nan 0.000 0.522 369 R N 1.233 121.854 120.500 0.202 0.000 2.103 369 R HA -0.200 4.139 4.340 -0.003 0.000 0.242 369 R C 1.118 177.495 176.300 0.127 0.000 1.142 369 R CA 2.339 58.531 56.100 0.154 0.000 0.960 369 R CB -0.111 30.252 30.300 0.105 0.000 0.858 369 R HN 0.268 nan 8.270 nan 0.000 0.439 370 D N -0.628 119.837 120.400 0.107 0.000 2.218 370 D HA -0.120 4.518 4.640 -0.003 0.000 0.204 370 D C 1.639 177.982 176.300 0.073 0.000 0.976 370 D CA 1.434 55.480 54.000 0.076 0.000 0.853 370 D CB 0.154 40.989 40.800 0.059 0.000 0.939 370 D HN 0.351 nan 8.370 nan 0.000 0.481 371 V N -3.883 116.090 119.914 0.099 0.000 3.661 371 V HA 0.552 4.671 4.120 -0.003 0.000 0.271 371 V C 0.914 177.057 176.094 0.082 0.000 1.315 371 V CA 0.455 62.788 62.300 0.054 0.000 1.072 371 V CB 0.038 31.846 31.823 -0.024 0.000 0.830 371 V HN 0.178 nan 8.190 nan 0.000 0.443 372 G N 0.258 109.142 108.800 0.139 0.000 2.587 372 G HA2 -0.076 3.883 3.960 -0.003 0.000 0.686 372 G HA3 -0.076 3.883 3.960 -0.003 0.000 0.686 372 G C -0.732 174.246 174.900 0.131 0.000 1.236 372 G CA -0.179 45.003 45.100 0.135 0.000 0.820 372 G HN 0.637 nan 8.290 nan 0.000 0.645 373 Q N 0.756 120.594 119.800 0.064 0.000 2.311 373 Q HA 0.326 4.665 4.340 -0.003 0.000 0.272 373 Q C -2.057 173.791 176.000 -0.253 0.000 1.012 373 Q CA -1.246 54.475 55.803 -0.136 0.000 0.891 373 Q CB 0.607 29.305 28.738 -0.066 0.000 1.201 373 Q HN 0.273 nan 8.270 nan 0.000 0.391 374 P HA 0.015 nan 4.420 nan 0.000 0.268 374 P C -1.292 175.868 177.300 -0.233 0.000 1.204 374 P CA 0.001 62.711 63.100 -0.650 0.000 0.768 374 P CB 0.790 31.774 31.700 -1.194 0.000 0.842 375 V N 5.427 125.319 119.914 -0.036 0.000 2.409 375 V HA 0.324 4.442 4.120 -0.003 0.000 0.291 375 V C -0.008 176.154 176.094 0.113 0.000 1.020 375 V CA -0.493 61.852 62.300 0.074 0.000 0.848 375 V CB 1.294 33.164 31.823 0.079 0.000 0.990 375 V HN 0.331 nan 8.190 nan 0.000 0.430 376 L N 5.931 127.254 121.223 0.166 0.000 2.287 376 L HA 0.583 4.921 4.340 -0.003 0.000 0.287 376 L C -0.750 176.262 176.870 0.235 0.000 1.022 376 L CA -0.563 54.384 54.840 0.178 0.000 0.814 376 L CB 1.542 43.689 42.059 0.147 0.000 1.217 376 L HN 0.387 nan 8.230 nan 0.000 0.420 377 I N 5.725 126.409 120.570 0.191 0.000 2.337 377 I HA 0.232 4.400 4.170 -0.003 0.000 0.285 377 I C -1.333 174.867 176.117 0.139 0.000 1.041 377 I CA -2.239 59.147 61.300 0.144 0.000 1.199 377 I CB 1.238 39.314 38.000 0.127 0.000 1.370 377 I HN 0.374 nan 8.210 nan 0.000 0.470 378 P HA -0.047 nan 4.420 nan 0.000 0.221 378 P C 0.856 178.246 177.300 0.150 0.000 1.150 378 P CA 1.218 64.411 63.100 0.156 0.000 0.800 378 P CB 0.992 32.688 31.700 -0.008 0.000 0.787 379 G N 0.423 109.224 108.800 0.002 0.000 2.539 379 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.256 379 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.256 379 G C -0.222 174.610 174.900 -0.114 0.000 1.233 379 G CA 0.345 45.410 45.100 -0.059 0.000 0.936 379 G HN 0.705 nan 8.290 nan 0.000 0.571 380 S N -1.508 114.044 115.700 -0.246 0.000 2.685 380 S HA 0.692 5.161 4.470 -0.003 0.000 0.282 380 S C 0.174 174.550 174.600 -0.372 0.000 1.159 380 S CA 0.386 58.373 58.200 -0.356 0.000 0.833 380 S CB 1.605 64.162 63.200 -1.071 0.000 1.151 380 S HN 1.840 nan 8.310 nan 0.000 0.485 381 M N 1.633 121.036 119.600 -0.329 0.000 2.366 381 M HA 0.223 4.702 4.480 -0.003 0.000 0.414 381 M C 1.274 177.407 176.300 -0.278 0.000 1.578 381 M CA 2.312 57.401 55.300 -0.351 0.000 0.892 381 M CB -1.060 31.453 32.600 -0.146 0.000 2.082 381 M HN 1.635 nan 8.290 nan 0.000 0.498 382 G N 2.767 111.388 108.800 -0.299 0.000 2.184 382 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.264 382 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.264 382 G C 0.113 174.919 174.900 -0.157 0.000 0.975 382 G CA 0.759 45.743 45.100 -0.193 0.000 0.642 382 G HN 1.086 nan 8.290 nan 0.000 0.536 383 T N -1.737 112.712 114.554 -0.176 0.000 2.897 383 T HA 0.837 5.185 4.350 -0.003 0.000 0.278 383 T C 0.854 175.496 174.700 -0.097 0.000 0.981 383 T CA 0.515 62.547 62.100 -0.112 0.000 0.973 383 T CB 1.782 70.591 68.868 -0.098 0.000 1.092 383 T HN 1.731 nan 8.240 nan 0.000 0.543 384 A N 0.997 123.784 122.820 -0.055 0.000 2.429 384 A HA 0.571 4.890 4.320 -0.003 0.000 0.242 384 A C 0.474 178.030 177.584 -0.046 0.000 1.088 384 A CA -0.433 51.555 52.037 -0.082 0.000 0.784 384 A CB -0.369 18.577 19.000 -0.090 0.000 1.038 384 A HN 0.864 nan 8.150 nan 0.000 0.501 385 S N -1.320 114.318 115.700 -0.103 0.000 2.632 385 S HA 0.761 5.230 4.470 -0.003 0.000 0.289 385 S C -1.602 172.956 174.600 -0.071 0.000 1.115 385 S CA -0.226 57.990 58.200 0.026 0.000 0.889 385 S CB 1.079 64.309 63.200 0.050 0.000 1.116 385 S HN 0.527 nan 8.310 nan 0.000 0.486 386 Y N 0.413 120.753 120.300 0.066 0.000 2.581 386 Y HA 0.664 5.214 4.550 -0.001 0.000 0.345 386 Y C -0.573 175.380 175.900 0.089 0.000 1.036 386 Y CA -0.839 57.312 58.100 0.087 0.000 1.042 386 Y CB 1.438 39.932 38.460 0.057 0.000 1.289 386 Y HN 0.601 nan 8.280 nan 0.000 0.471 387 I N 3.426 124.171 120.570 0.292 0.000 2.498 387 I HA 0.662 4.830 4.170 -0.003 0.000 0.290 387 I C -1.763 174.493 176.117 0.231 0.000 1.032 387 I CA -0.432 60.999 61.300 0.219 0.000 1.073 387 I CB 0.940 39.052 38.000 0.186 0.000 1.251 387 I HN 0.570 nan 8.210 nan 0.000 0.426 388 L N 6.610 127.939 121.223 0.177 0.000 2.230 388 L HA 0.940 5.279 4.340 -0.003 0.000 0.255 388 L C -0.555 176.412 176.870 0.163 0.000 1.039 388 L CA -0.975 53.944 54.840 0.131 0.000 0.846 388 L CB 1.626 43.715 42.059 0.051 0.000 1.419 388 L HN 0.614 nan 8.230 nan 0.000 0.435 389 A N -0.557 122.331 122.820 0.114 0.000 2.374 389 A HA 0.784 5.102 4.320 -0.003 0.000 0.317 389 A C -0.180 177.450 177.584 0.076 0.000 1.094 389 A CA -0.280 51.834 52.037 0.128 0.000 0.765 389 A CB 1.370 20.431 19.000 0.102 0.000 1.268 389 A HN 0.738 nan 8.150 nan 0.000 0.438 390 G N 0.349 109.198 108.800 0.081 0.000 2.544 390 G HA2 0.500 4.458 3.960 -0.003 0.000 0.242 390 G HA3 0.500 4.458 3.960 -0.003 0.000 0.242 390 G C 0.208 175.156 174.900 0.081 0.000 1.247 390 G CA 0.711 45.865 45.100 0.090 0.000 0.840 390 G HN 1.469 nan 8.290 nan 0.000 0.578 391 T N -1.672 112.926 114.554 0.073 0.000 2.883 391 T HA 0.431 4.779 4.350 -0.003 0.000 0.296 391 T C 0.679 175.411 174.700 0.053 0.000 1.117 391 T CA -0.562 61.569 62.100 0.052 0.000 1.006 391 T CB 2.157 71.040 68.868 0.025 0.000 1.191 391 T HN 0.317 nan 8.240 nan 0.000 0.508 392 E N 0.984 121.206 120.200 0.037 0.000 2.150 392 E HA 0.090 4.439 4.350 -0.003 0.000 0.193 392 E C 2.186 178.798 176.600 0.019 0.000 0.985 392 E CA 2.016 58.433 56.400 0.028 0.000 0.814 392 E CB -0.976 28.734 29.700 0.017 0.000 0.752 392 E HN 0.856 nan 8.360 nan 0.000 0.466 393 G N 0.248 109.056 108.800 0.014 0.000 2.442 393 G HA2 -0.260 3.699 3.960 -0.003 0.000 0.219 393 G HA3 -0.260 3.699 3.960 -0.003 0.000 0.219 393 G C 1.676 176.574 174.900 -0.004 0.000 1.141 393 G CA 1.067 46.169 45.100 0.004 0.000 0.763 393 G HN 0.429 nan 8.290 nan 0.000 0.554 394 A N 0.150 122.973 122.820 0.004 0.000 1.902 394 A HA 0.024 4.342 4.320 -0.003 0.000 0.217 394 A C 2.329 179.928 177.584 0.025 0.000 1.181 394 A CA 2.144 54.184 52.037 0.005 0.000 0.623 394 A CB -0.359 18.669 19.000 0.047 0.000 0.818 394 A HN 0.338 nan 8.150 nan 0.000 0.443 395 M N -0.174 119.462 119.600 0.060 0.000 2.108 395 M HA -0.105 4.374 4.480 -0.003 0.000 0.261 395 M C 1.788 178.088 176.300 -0.000 0.000 1.066 395 M CA 1.769 57.119 55.300 0.082 0.000 1.107 395 M CB -0.369 32.269 32.600 0.064 0.000 1.356 395 M HN 0.368 nan 8.290 nan 0.000 0.406 396 K N -1.401 118.983 120.400 -0.027 0.000 2.305 396 K HA -0.055 4.263 4.320 -0.003 0.000 0.199 396 K C 1.791 178.326 176.600 -0.108 0.000 1.047 396 K CA 0.979 57.228 56.287 -0.062 0.000 0.976 396 K CB 0.146 32.632 32.500 -0.025 0.000 0.765 396 K HN 0.434 nan 8.250 nan 0.000 0.474 397 E N -0.540 119.608 120.200 -0.087 0.000 2.391 397 E HA -0.010 4.338 4.350 -0.003 0.000 0.206 397 E C 0.370 176.954 176.600 -0.028 0.000 0.851 397 E CA 0.621 57.015 56.400 -0.010 0.000 1.059 397 E CB 0.940 30.695 29.700 0.093 0.000 1.065 397 E HN 0.191 nan 8.360 nan 0.000 0.512 398 T N -2.519 111.970 114.554 -0.108 0.000 3.296 398 T HA 0.234 4.582 4.350 -0.003 0.000 0.285 398 T C 0.010 174.719 174.700 0.015 0.000 1.014 398 T CA -0.546 61.550 62.100 -0.006 0.000 0.920 398 T CB -0.652 68.208 68.868 -0.014 0.000 1.143 398 T HN 0.152 nan 8.240 nan 0.000 0.522 399 F N 1.478 121.359 119.950 -0.115 0.000 3.074 399 F HA -0.109 4.416 4.527 -0.003 0.000 0.287 399 F C 1.363 177.094 175.800 -0.116 0.000 0.932 399 F CA 0.790 58.505 58.000 -0.476 0.000 0.995 399 F CB -2.155 36.545 39.000 -0.500 0.000 0.966 399 F HN 0.718 nan 8.300 nan 0.000 0.721 400 G N 0.563 109.476 108.800 0.189 0.000 2.314 400 G HA2 -0.092 3.866 3.960 -0.003 0.000 0.292 400 G HA3 -0.092 3.866 3.960 -0.003 0.000 0.292 400 G C -0.045 175.021 174.900 0.276 0.000 1.059 400 G CA 0.356 45.678 45.100 0.371 0.000 0.982 400 G HN 0.765 nan 8.290 nan 0.000 0.505 401 S N -1.334 114.456 115.700 0.149 0.000 2.568 401 S HA 0.910 5.378 4.470 -0.003 0.000 0.293 401 S C 0.043 174.662 174.600 0.031 0.000 1.089 401 S CA 0.053 58.316 58.200 0.105 0.000 0.945 401 S CB 2.708 65.985 63.200 0.129 0.000 1.077 401 S HN 0.856 nan 8.310 nan 0.000 0.485 402 T N -0.348 114.226 114.554 0.032 0.000 2.654 402 T HA 0.531 4.879 4.350 -0.003 0.000 0.289 402 T C -0.028 174.682 174.700 0.017 0.000 1.062 402 T CA -0.557 61.534 62.100 -0.015 0.000 1.041 402 T CB 0.248 69.107 68.868 -0.015 0.000 1.417 402 T HN 0.990 nan 8.240 nan 0.000 0.510 403 C N 0.466 119.767 119.300 0.001 0.000 2.553 403 C HA 0.530 4.988 4.460 -0.003 0.000 0.345 403 C C 1.696 176.715 174.990 0.048 0.000 1.369 403 C CA -0.010 59.027 59.018 0.031 0.000 2.447 403 C CB -0.818 26.926 27.740 0.007 0.000 2.358 403 C HN 1.086 nan 8.230 nan 0.000 0.676 404 H N -0.638 118.369 119.070 -0.105 0.000 2.615 404 H HA 0.280 4.834 4.556 -0.003 0.000 0.275 404 H C 1.745 176.972 175.328 -0.167 0.000 0.981 404 H CA 0.925 56.801 56.048 -0.286 0.000 1.252 404 H CB 0.356 29.919 29.762 -0.332 0.000 1.447 404 H HN 1.087 nan 8.280 nan 0.000 0.498 405 G N 0.857 109.562 108.800 -0.159 0.000 2.358 405 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.224 405 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.224 405 G C 0.535 175.328 174.900 -0.178 0.000 1.073 405 G CA 0.097 45.095 45.100 -0.170 0.000 0.635 405 G HN 0.692 nan 8.290 nan 0.000 0.509 406 A N 1.437 124.031 122.820 -0.378 0.000 3.016 406 A HA 0.709 5.028 4.320 -0.003 0.000 0.303 406 A C 0.725 178.423 177.584 0.190 0.000 1.507 406 A CA 0.976 52.946 52.037 -0.112 0.000 1.196 406 A CB -0.229 18.638 19.000 -0.222 0.000 1.169 406 A HN 1.734 nan 8.150 nan 0.000 0.544 407 G N 1.361 110.268 108.800 0.178 0.000 2.335 407 G HA2 0.486 4.444 3.960 -0.003 0.000 0.316 407 G HA3 0.486 4.444 3.960 -0.003 0.000 0.316 407 G C -0.030 174.746 174.900 -0.207 0.000 1.129 407 G CA -0.731 44.400 45.100 0.052 0.000 0.899 407 G HN 0.689 nan 8.290 nan 0.000 0.448 408 R N 1.640 121.724 120.500 -0.694 0.000 2.543 408 R HA 0.192 4.531 4.340 -0.003 0.000 0.277 408 R C 0.623 176.633 176.300 -0.483 0.000 1.074 408 R CA -0.497 55.196 56.100 -0.678 0.000 1.076 408 R CB 1.898 31.838 30.300 -0.600 0.000 0.993 408 R HN 0.368 nan 8.270 nan 0.000 0.459 409 V N 4.304 124.025 119.914 -0.322 0.000 2.922 409 V HA 0.187 4.305 4.120 -0.003 0.000 0.242 409 V C 0.334 176.349 176.094 -0.132 0.000 1.094 409 V CA 0.723 62.922 62.300 -0.169 0.000 1.106 409 V CB 0.388 32.159 31.823 -0.087 0.000 0.799 409 V HN 0.461 nan 8.190 nan 0.000 0.474 410 L N 1.261 122.395 121.223 -0.148 0.000 2.331 410 L HA 0.494 4.833 4.340 -0.003 0.000 0.275 410 L C 0.427 177.233 176.870 -0.107 0.000 1.022 410 L CA -0.286 54.501 54.840 -0.089 0.000 0.812 410 L CB 1.936 43.979 42.059 -0.027 0.000 1.257 410 L HN 0.335 nan 8.230 nan 0.000 0.435 411 S N 1.562 117.227 115.700 -0.059 0.000 2.624 411 S HA 0.265 4.733 4.470 -0.003 0.000 0.263 411 S C 0.976 175.557 174.600 -0.031 0.000 1.287 411 S CA -0.618 57.558 58.200 -0.040 0.000 0.990 411 S CB 1.058 64.248 63.200 -0.016 0.000 0.950 411 S HN 0.608 nan 8.310 nan 0.000 0.561 412 R N 0.936 121.426 120.500 -0.017 0.000 2.120 412 R HA -0.083 4.256 4.340 -0.003 0.000 0.234 412 R C 2.160 178.465 176.300 0.007 0.000 1.123 412 R CA 1.537 57.638 56.100 0.000 0.000 0.975 412 R CB -0.401 29.904 30.300 0.008 0.000 0.866 412 R HN 0.692 nan 8.270 nan 0.000 0.446 413 K N 0.781 121.181 120.400 -0.001 0.000 1.973 413 K HA -0.102 4.217 4.320 -0.003 0.000 0.212 413 K C 2.307 178.900 176.600 -0.012 0.000 1.047 413 K CA 1.490 57.775 56.287 -0.004 0.000 0.937 413 K CB -0.366 32.130 32.500 -0.007 0.000 0.721 413 K HN 0.099 nan 8.250 nan 0.000 0.440 414 A N 1.863 124.670 122.820 -0.021 0.000 1.884 414 A HA -0.252 4.066 4.320 -0.003 0.000 0.219 414 A C 2.477 180.034 177.584 -0.045 0.000 1.197 414 A CA 2.390 54.403 52.037 -0.040 0.000 0.637 414 A CB -1.091 17.884 19.000 -0.042 0.000 0.827 414 A HN 0.406 nan 8.150 nan 0.000 0.450 415 A N -1.299 121.526 122.820 0.008 0.000 1.865 415 A HA -0.138 4.181 4.320 -0.003 0.000 0.217 415 A C 2.324 179.966 177.584 0.097 0.000 1.191 415 A CA 2.517 54.617 52.037 0.104 0.000 0.623 415 A CB -1.515 17.572 19.000 0.144 0.000 0.826 415 A HN 0.465 nan 8.150 nan 0.000 0.444 416 T N 0.246 114.835 114.554 0.058 0.000 2.699 416 T HA -0.222 4.126 4.350 -0.003 0.000 0.268 416 T C 1.992 176.700 174.700 0.013 0.000 1.036 416 T CA 1.992 64.120 62.100 0.046 0.000 1.147 416 T CB -0.359 68.524 68.868 0.026 0.000 0.862 416 T HN 0.814 nan 8.240 nan 0.000 0.446 417 R N 1.146 121.631 120.500 -0.025 0.000 2.093 417 R HA 0.063 4.401 4.340 -0.003 0.000 0.224 417 R C 2.403 178.641 176.300 -0.103 0.000 1.101 417 R CA 1.238 57.307 56.100 -0.051 0.000 0.979 417 R CB -0.428 29.840 30.300 -0.053 0.000 0.877 417 R HN 0.361 nan 8.270 nan 0.000 0.441 418 Q N 0.019 119.699 119.800 -0.199 0.000 2.172 418 Q HA -0.014 4.325 4.340 -0.003 0.000 0.200 418 Q C -0.414 175.301 176.000 -0.475 0.000 0.964 418 Q CA 0.909 56.467 55.803 -0.409 0.000 0.855 418 Q CB 0.210 28.550 28.738 -0.663 0.000 0.918 418 Q HN 0.419 nan 8.270 nan 0.000 0.444 419 Y N -0.764 119.534 120.300 -0.003 0.000 2.598 419 Y HA 0.566 5.115 4.550 -0.003 0.000 0.340 419 Y C -0.287 175.613 175.900 0.000 0.000 1.038 419 Y CA -1.489 56.611 58.100 -0.000 0.000 1.100 419 Y CB 1.184 39.647 38.460 0.004 0.000 1.281 419 Y HN -0.224 nan 8.280 nan 0.000 0.488 420 R N 0.144 120.757 120.500 0.189 0.000 2.480 420 R HA 0.291 4.629 4.340 -0.003 0.000 0.306 420 R C 0.814 177.157 176.300 0.071 0.000 0.958 420 R CA -0.436 55.721 56.100 0.096 0.000 0.861 420 R CB 1.438 31.775 30.300 0.062 0.000 1.171 420 R HN 1.022 nan 8.270 nan 0.000 0.445 421 G N 2.643 111.472 108.800 0.048 0.000 2.513 421 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.219 421 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.219 421 G C 0.932 175.832 174.900 0.000 0.000 1.160 421 G CA 1.261 46.373 45.100 0.020 0.000 0.767 421 G HN 0.749 nan 8.290 nan 0.000 0.571 422 D N 0.432 120.834 120.400 0.003 0.000 2.218 422 D HA -0.109 4.530 4.640 -0.003 0.000 0.204 422 D C 2.354 178.651 176.300 -0.004 0.000 0.976 422 D CA 0.960 54.956 54.000 -0.007 0.000 0.853 422 D CB -0.256 40.544 40.800 -0.002 0.000 0.939 422 D HN 0.280 nan 8.370 nan 0.000 0.481 423 R N 0.520 121.027 120.500 0.012 0.000 2.055 423 R HA 0.037 4.376 4.340 -0.003 0.000 0.226 423 R C 2.451 178.751 176.300 0.000 0.000 1.135 423 R CA 0.556 56.666 56.100 0.018 0.000 0.959 423 R CB -0.702 29.627 30.300 0.047 0.000 0.854 423 R HN 0.084 nan 8.270 nan 0.000 0.431 424 I N 1.033 121.597 120.570 -0.010 0.000 2.208 424 I HA -0.259 3.910 4.170 -0.003 0.000 0.245 424 I C 2.378 178.459 176.117 -0.060 0.000 1.097 424 I CA 1.481 62.745 61.300 -0.060 0.000 1.363 424 I CB -0.967 36.977 38.000 -0.094 0.000 1.051 424 I HN 0.292 nan 8.210 nan 0.000 0.413 425 R N 0.505 120.974 120.500 -0.052 0.000 2.096 425 R HA -0.242 4.096 4.340 -0.003 0.000 0.235 425 R C 2.308 178.576 176.300 -0.052 0.000 1.127 425 R CA 1.618 57.678 56.100 -0.067 0.000 0.968 425 R CB -0.111 30.147 30.300 -0.071 0.000 0.861 425 R HN 0.223 nan 8.270 nan 0.000 0.440 426 Q N 0.827 120.608 119.800 -0.031 0.000 2.123 426 Q HA -0.124 4.214 4.340 -0.003 0.000 0.199 426 Q C 1.455 177.445 176.000 -0.016 0.000 0.966 426 Q CA 1.909 57.702 55.803 -0.017 0.000 0.845 426 Q CB 0.110 28.844 28.738 -0.006 0.000 0.907 426 Q HN 0.455 nan 8.270 nan 0.000 0.439 427 E N -0.665 119.522 120.200 -0.021 0.000 2.153 427 E HA -0.170 4.178 4.350 -0.003 0.000 0.194 427 E C 1.572 178.155 176.600 -0.029 0.000 0.988 427 E CA 0.896 57.284 56.400 -0.021 0.000 0.811 427 E CB 0.021 29.705 29.700 -0.027 0.000 0.746 427 E HN 0.229 nan 8.360 nan 0.000 0.466 428 L N 0.366 121.563 121.223 -0.042 0.000 2.095 428 L HA -0.069 4.270 4.340 -0.003 0.000 0.204 428 L C 2.151 179.006 176.870 -0.025 0.000 1.080 428 L CA 1.138 55.951 54.840 -0.046 0.000 0.759 428 L CB -0.448 41.569 42.059 -0.070 0.000 0.914 428 L HN 0.159 nan 8.230 nan 0.000 0.439 429 L N -0.579 120.634 121.223 -0.017 0.000 2.201 429 L HA -0.172 4.166 4.340 -0.003 0.000 0.212 429 L C 1.954 178.832 176.870 0.014 0.000 1.105 429 L CA 0.839 55.687 54.840 0.012 0.000 0.775 429 L CB -0.182 41.890 42.059 0.022 0.000 0.913 429 L HN 0.374 nan 8.230 nan 0.000 0.440 430 N N 0.460 119.161 118.700 0.003 0.000 2.270 430 N HA -0.116 4.622 4.740 -0.003 0.000 0.181 430 N C 1.391 176.903 175.510 0.003 0.000 1.016 430 N CA 0.930 53.982 53.050 0.004 0.000 0.870 430 N CB -0.138 38.350 38.487 0.001 0.000 0.979 430 N HN 0.318 nan 8.380 nan 0.000 0.431 431 R N 0.023 120.521 120.500 -0.003 0.000 2.325 431 R HA 0.133 4.471 4.340 -0.003 0.000 0.214 431 R C 0.669 176.969 176.300 0.000 0.000 0.961 431 R CA 0.373 56.470 56.100 -0.005 0.000 1.086 431 R CB -0.023 30.267 30.300 -0.015 0.000 1.037 431 R HN 0.190 nan 8.270 nan 0.000 0.493 432 G N 1.290 110.096 108.800 0.010 0.000 2.143 432 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.248 432 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.248 432 G C 0.069 174.988 174.900 0.032 0.000 0.991 432 G CA -0.199 44.913 45.100 0.020 0.000 0.689 432 G HN 0.281 nan 8.290 nan 0.000 0.522 433 I N 0.494 121.080 120.570 0.027 0.000 2.355 433 I HA 0.360 4.529 4.170 -0.003 0.000 0.288 433 I C 0.100 176.253 176.117 0.059 0.000 0.999 433 I CA -1.309 60.008 61.300 0.030 0.000 1.163 433 I CB 1.106 39.094 38.000 -0.020 0.000 1.316 433 I HN 0.136 nan 8.210 nan 0.000 0.454 434 Y N 7.678 127.960 120.300 -0.030 0.000 2.393 434 Y HA 0.463 5.012 4.550 -0.002 0.000 0.338 434 Y C -0.601 175.274 175.900 -0.041 0.000 1.029 434 Y CA -0.341 57.738 58.100 -0.036 0.000 1.239 434 Y CB 0.825 39.266 38.460 -0.032 0.000 1.170 434 Y HN 0.264 nan 8.280 nan 0.000 0.515 435 V N 7.713 127.221 119.914 -0.677 0.000 2.459 435 V HA 0.507 4.625 4.120 -0.003 0.000 0.295 435 V C -0.718 174.906 176.094 -0.784 0.000 1.029 435 V CA -0.927 61.037 62.300 -0.561 0.000 0.874 435 V CB 1.592 33.235 31.823 -0.300 0.000 0.985 435 V HN 0.635 nan 8.190 nan 0.000 0.438 436 R N 3.687 123.849 120.500 -0.564 0.000 2.388 436 R HA 0.772 5.111 4.340 -0.003 0.000 0.314 436 R C -0.735 175.291 176.300 -0.456 0.000 0.959 436 R CA 0.023 55.764 56.100 -0.598 0.000 0.851 436 R CB 1.290 31.235 30.300 -0.592 0.000 1.168 436 R HN 0.893 nan 8.270 nan 0.000 0.472 437 A N 2.709 125.316 122.820 -0.356 0.000 2.374 437 A HA 0.722 5.041 4.320 -0.003 0.000 0.317 437 A C 0.397 177.993 177.584 0.020 0.000 1.094 437 A CA -0.223 51.767 52.037 -0.077 0.000 0.765 437 A CB 1.657 20.633 19.000 -0.040 0.000 1.268 437 A HN 0.835 nan 8.150 nan 0.000 0.438 438 A N 0.902 123.883 122.820 0.268 0.000 1.970 438 A HA 0.394 4.712 4.320 -0.003 0.000 0.216 438 A C 1.018 178.680 177.584 0.129 0.000 1.170 438 A CA 1.545 53.755 52.037 0.289 0.000 0.645 438 A CB -0.358 18.809 19.000 0.279 0.000 0.816 438 A HN 1.875 nan 8.150 nan 0.000 0.447 439 S N -2.378 113.375 115.700 0.090 0.000 2.566 439 S HA 0.515 4.983 4.470 -0.003 0.000 0.273 439 S C 0.312 174.934 174.600 0.037 0.000 1.157 439 S CA -0.669 57.564 58.200 0.055 0.000 0.938 439 S CB 1.170 64.403 63.200 0.054 0.000 1.087 439 S HN 0.016 nan 8.310 nan 0.000 0.474 440 M N 2.200 121.814 119.600 0.022 0.000 2.213 440 M HA -0.075 4.403 4.480 -0.003 0.000 0.263 440 M C 2.327 178.643 176.300 0.027 0.000 1.062 440 M CA 1.531 56.840 55.300 0.016 0.000 1.105 440 M CB -1.400 31.206 32.600 0.010 0.000 1.385 440 M HN 0.954 nan 8.290 nan 0.000 0.417 441 R N -0.346 120.173 120.500 0.032 0.000 2.148 441 R HA -0.023 4.316 4.340 -0.003 0.000 0.227 441 R C 1.811 178.138 176.300 0.044 0.000 1.103 441 R CA 1.280 57.402 56.100 0.037 0.000 0.983 441 R CB -1.032 29.287 30.300 0.031 0.000 0.874 441 R HN 0.216 nan 8.270 nan 0.000 0.451 442 V N 1.408 121.349 119.914 0.046 0.000 2.453 442 V HA -0.150 3.969 4.120 -0.003 0.000 0.247 442 V C 2.522 178.650 176.094 0.057 0.000 1.048 442 V CA 1.197 63.530 62.300 0.055 0.000 1.049 442 V CB -0.027 31.834 31.823 0.063 0.000 0.672 442 V HN 0.129 nan 8.190 nan 0.000 0.457 443 V N 0.575 120.513 119.914 0.041 0.000 2.392 443 V HA -0.283 3.835 4.120 -0.003 0.000 0.249 443 V C 2.675 178.779 176.094 0.017 0.000 1.059 443 V CA 2.155 64.467 62.300 0.019 0.000 1.051 443 V CB -1.050 30.770 31.823 -0.005 0.000 0.658 443 V HN 0.566 nan 8.190 nan 0.000 0.455 444 A N -0.784 122.061 122.820 0.042 0.000 1.897 444 A HA -0.190 4.128 4.320 -0.003 0.000 0.215 444 A C 2.189 179.835 177.584 0.104 0.000 1.181 444 A CA 1.536 53.620 52.037 0.079 0.000 0.620 444 A CB -0.427 18.641 19.000 0.112 0.000 0.821 444 A HN 0.575 nan 8.150 nan 0.000 0.443 445 E N -0.376 119.876 120.200 0.088 0.000 2.153 445 E HA -0.135 4.213 4.350 -0.003 0.000 0.194 445 E C 0.922 177.584 176.600 0.103 0.000 0.988 445 E CA 0.995 57.447 56.400 0.087 0.000 0.811 445 E CB 0.069 29.808 29.700 0.066 0.000 0.746 445 E HN 0.467 nan 8.360 nan 0.000 0.466 446 E N -0.226 120.047 120.200 0.121 0.000 2.465 446 E HA 0.168 4.516 4.350 -0.003 0.000 0.195 446 E C -0.056 176.637 176.600 0.154 0.000 1.028 446 E CA -0.113 56.421 56.400 0.223 0.000 0.899 446 E CB 0.475 30.277 29.700 0.169 0.000 1.032 446 E HN 0.123 nan 8.360 nan 0.000 0.468 447 A N 2.285 125.108 122.820 0.004 0.000 2.507 447 A HA 0.118 4.437 4.320 -0.003 0.000 0.235 447 A C -1.295 176.248 177.584 -0.068 0.000 1.070 447 A CA -0.702 51.234 52.037 -0.169 0.000 0.768 447 A CB 0.065 18.727 19.000 -0.564 0.000 1.011 447 A HN -0.098 nan 8.150 nan 0.000 0.502 448 P HA -0.178 nan 4.420 nan 0.000 0.216 448 P C 1.718 179.038 177.300 0.034 0.000 1.157 448 P CA 2.171 65.263 63.100 -0.014 0.000 0.880 448 P CB -0.039 31.623 31.700 -0.064 0.000 0.791 449 G N -0.187 108.564 108.800 -0.082 0.000 2.485 449 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.221 449 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.221 449 G C 1.525 176.504 174.900 0.131 0.000 1.115 449 G CA 0.906 46.050 45.100 0.073 0.000 0.751 449 G HN 0.382 nan 8.290 nan 0.000 0.567 450 A N -1.098 121.773 122.820 0.085 0.000 2.167 450 A HA 0.392 4.710 4.320 -0.003 0.000 0.214 450 A C 0.450 177.888 177.584 -0.244 0.000 1.151 450 A CA 0.152 52.169 52.037 -0.032 0.000 0.735 450 A CB -0.109 18.836 19.000 -0.091 0.000 0.802 450 A HN 0.333 nan 8.150 nan 0.000 0.467 451 Y N 0.033 120.324 120.300 -0.014 0.000 2.420 451 Y HA 0.400 4.949 4.550 -0.003 0.000 0.334 451 Y C 0.526 176.408 175.900 -0.031 0.000 1.094 451 Y CA -0.839 57.240 58.100 -0.034 0.000 1.126 451 Y CB 1.118 39.560 38.460 -0.030 0.000 1.217 451 Y HN -0.009 nan 8.280 nan 0.000 0.462 452 K N 1.654 122.120 120.400 0.111 0.000 2.414 452 K HA -0.035 4.283 4.320 -0.003 0.000 0.272 452 K C 0.064 176.715 176.600 0.085 0.000 0.993 452 K CA -0.358 55.966 56.287 0.062 0.000 0.964 452 K CB 0.302 32.822 32.500 0.034 0.000 0.925 452 K HN 0.535 nan 8.250 nan 0.000 0.487 453 N N 2.788 121.522 118.700 0.058 0.000 2.423 453 N HA -0.085 4.653 4.740 -0.003 0.000 0.275 453 N C 0.836 176.373 175.510 0.046 0.000 1.283 453 N CA 0.220 53.303 53.050 0.055 0.000 0.932 453 N CB 0.812 39.327 38.487 0.047 0.000 1.185 453 N HN 0.432 nan 8.380 nan 0.000 0.483 454 V N 4.236 124.183 119.914 0.054 0.000 2.392 454 V HA -0.214 3.905 4.120 -0.003 0.000 0.249 454 V C 1.466 177.574 176.094 0.024 0.000 1.059 454 V CA 1.930 64.254 62.300 0.041 0.000 1.051 454 V CB -0.196 31.669 31.823 0.070 0.000 0.658 454 V HN 0.650 nan 8.190 nan 0.000 0.455 455 D N 0.124 120.580 120.400 0.094 0.000 2.144 455 D HA -0.159 4.480 4.640 -0.003 0.000 0.199 455 D C 1.799 178.081 176.300 -0.029 0.000 0.984 455 D CA 1.519 55.564 54.000 0.076 0.000 0.834 455 D CB -0.292 40.613 40.800 0.174 0.000 0.955 455 D HN 0.500 nan 8.370 nan 0.000 0.465 456 N N 0.614 119.315 118.700 0.001 0.000 2.270 456 N HA -0.079 4.660 4.740 -0.003 0.000 0.181 456 N C 2.097 177.589 175.510 -0.029 0.000 1.016 456 N CA 0.294 53.341 53.050 -0.006 0.000 0.870 456 N CB -0.238 38.260 38.487 0.018 0.000 0.979 456 N HN 0.081 nan 8.380 nan 0.000 0.431 457 V N 0.756 120.647 119.914 -0.038 0.000 2.307 457 V HA -0.131 3.987 4.120 -0.003 0.000 0.245 457 V C 2.400 178.435 176.094 -0.098 0.000 1.045 457 V CA 1.066 63.342 62.300 -0.040 0.000 1.024 457 V CB -0.413 31.393 31.823 -0.027 0.000 0.651 457 V HN 0.040 nan 8.190 nan 0.000 0.449 458 V N 0.110 119.903 119.914 -0.201 0.000 2.407 458 V HA -0.281 3.838 4.120 -0.003 0.000 0.248 458 V C 2.419 178.355 176.094 -0.264 0.000 1.055 458 V CA 2.290 64.392 62.300 -0.329 0.000 1.049 458 V CB -0.679 30.696 31.823 -0.746 0.000 0.662 458 V HN 0.584 nan 8.190 nan 0.000 0.455 459 K N 0.030 120.310 120.400 -0.201 0.000 2.057 459 K HA -0.164 4.155 4.320 -0.003 0.000 0.207 459 K C 2.062 178.617 176.600 -0.075 0.000 1.049 459 K CA 1.635 57.844 56.287 -0.131 0.000 0.931 459 K CB -0.170 32.288 32.500 -0.069 0.000 0.714 459 K HN 0.325 nan 8.250 nan 0.000 0.440 460 V N 1.369 121.259 119.914 -0.039 0.000 2.295 460 V HA -0.248 3.870 4.120 -0.003 0.000 0.246 460 V C 2.386 178.483 176.094 0.005 0.000 1.049 460 V CA 1.906 64.216 62.300 0.016 0.000 1.024 460 V CB -0.305 31.554 31.823 0.060 0.000 0.648 460 V HN 0.449 nan 8.190 nan 0.000 0.447 461 V N -2.362 117.526 119.914 -0.044 0.000 2.626 461 V HA -0.162 3.956 4.120 -0.003 0.000 0.252 461 V C 2.379 178.424 176.094 -0.082 0.000 1.067 461 V CA 2.251 64.505 62.300 -0.076 0.000 1.081 461 V CB -0.693 31.068 31.823 -0.104 0.000 0.686 461 V HN 0.471 nan 8.190 nan 0.000 0.468 462 S N 0.425 116.064 115.700 -0.102 0.000 2.355 462 S HA -0.200 4.268 4.470 -0.003 0.000 0.222 462 S C 2.011 176.575 174.600 -0.060 0.000 1.031 462 S CA 1.812 59.949 58.200 -0.105 0.000 0.993 462 S CB -0.409 62.693 63.200 -0.162 0.000 0.859 462 S HN 0.782 nan 8.310 nan 0.000 0.453 463 E N 0.532 120.708 120.200 -0.039 0.000 2.150 463 E HA -0.045 4.304 4.350 -0.003 0.000 0.193 463 E C 2.162 178.768 176.600 0.010 0.000 0.985 463 E CA 0.897 57.290 56.400 -0.011 0.000 0.814 463 E CB -0.219 29.483 29.700 0.004 0.000 0.752 463 E HN 0.623 nan 8.360 nan 0.000 0.466 464 A N 0.221 123.054 122.820 0.023 0.000 2.066 464 A HA 0.100 4.419 4.320 -0.003 0.000 0.218 464 A C 1.900 179.493 177.584 0.015 0.000 1.157 464 A CA 1.091 53.163 52.037 0.057 0.000 0.670 464 A CB -0.392 18.668 19.000 0.100 0.000 0.804 464 A HN 0.360 nan 8.150 nan 0.000 0.453 465 G N -0.330 108.460 108.800 -0.016 0.000 2.143 465 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.249 465 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.249 465 G C 0.694 175.574 174.900 -0.034 0.000 0.981 465 G CA 0.484 45.572 45.100 -0.020 0.000 0.665 465 G HN 1.312 nan 8.290 nan 0.000 0.528 466 I N -2.411 118.117 120.570 -0.070 0.000 3.812 466 I HA 0.705 4.874 4.170 -0.003 0.000 0.320 466 I C 0.675 176.758 176.117 -0.055 0.000 1.276 466 I CA 0.351 61.599 61.300 -0.086 0.000 1.164 466 I CB 0.205 38.086 38.000 -0.198 0.000 1.009 466 I HN 0.825 nan 8.210 nan 0.000 0.431 467 A N 1.314 124.106 122.820 -0.047 0.000 2.582 467 A HA 0.543 4.861 4.320 -0.003 0.000 0.297 467 A C -1.259 176.301 177.584 -0.039 0.000 1.059 467 A CA -0.788 51.231 52.037 -0.029 0.000 0.705 467 A CB 1.233 20.209 19.000 -0.041 0.000 1.279 467 A HN 0.216 nan 8.150 nan 0.000 0.404 468 K N 2.552 122.940 120.400 -0.019 0.000 2.235 468 K HA 0.639 4.957 4.320 -0.003 0.000 0.266 468 K C -0.901 175.677 176.600 -0.037 0.000 0.980 468 K CA -0.615 55.655 56.287 -0.030 0.000 0.849 468 K CB 0.780 33.276 32.500 -0.007 0.000 1.098 468 K HN 0.718 nan 8.250 nan 0.000 0.445 469 L N 4.459 125.621 121.223 -0.102 0.000 2.490 469 L HA -0.020 4.318 4.340 -0.003 0.000 0.274 469 L C 0.771 177.671 176.870 0.050 0.000 1.201 469 L CA -0.148 54.600 54.840 -0.154 0.000 0.869 469 L CB 0.889 42.618 42.059 -0.550 0.000 1.123 469 L HN 0.621 nan 8.230 nan 0.000 0.484 470 V N 2.162 122.188 119.914 0.188 0.000 3.029 470 V HA 0.441 4.559 4.120 -0.003 0.000 0.230 470 V C 0.369 176.689 176.094 0.376 0.000 1.254 470 V CA 0.793 63.230 62.300 0.227 0.000 1.276 470 V CB 0.953 32.860 31.823 0.140 0.000 1.080 470 V HN 0.842 nan 8.190 nan 0.000 0.495 471 A N -0.059 123.020 122.820 0.431 0.000 2.610 471 A HA 0.816 5.135 4.320 -0.003 0.000 0.291 471 A C -1.047 176.734 177.584 0.328 0.000 1.086 471 A CA -0.562 51.676 52.037 0.336 0.000 0.677 471 A CB 1.788 20.873 19.000 0.140 0.000 1.278 471 A HN 0.174 nan 8.150 nan 0.000 0.414 472 R N 0.426 120.991 120.500 0.108 0.000 2.670 472 R HA 0.795 5.133 4.340 -0.003 0.000 0.289 472 R C -1.451 174.735 176.300 -0.191 0.000 0.965 472 R CA -0.625 55.354 56.100 -0.203 0.000 0.899 472 R CB 1.390 31.526 30.300 -0.272 0.000 1.173 472 R HN 0.736 nan 8.270 nan 0.000 0.456 473 M N 2.087 121.551 119.600 -0.227 0.000 2.662 473 M HA 0.503 4.981 4.480 -0.003 0.000 0.310 473 M C -0.774 175.441 176.300 -0.142 0.000 1.204 473 M CA -0.580 54.639 55.300 -0.134 0.000 0.891 473 M CB 2.067 34.625 32.600 -0.070 0.000 1.732 473 M HN 0.514 nan 8.290 nan 0.000 0.467 474 R N 1.599 122.042 120.500 -0.095 0.000 2.532 474 R HA 0.705 5.044 4.340 -0.003 0.000 0.297 474 R C -3.016 173.252 176.300 -0.053 0.000 0.984 474 R CA -1.603 54.450 56.100 -0.078 0.000 0.884 474 R CB 1.780 32.040 30.300 -0.067 0.000 1.182 474 R HN 0.303 nan 8.270 nan 0.000 0.442 475 P HA 0.183 nan 4.420 nan 0.000 0.278 475 P C 0.104 177.393 177.300 -0.019 0.000 1.238 475 P CA -0.377 62.696 63.100 -0.045 0.000 0.794 475 P CB 0.796 32.439 31.700 -0.095 0.000 0.955 476 I N -1.813 118.765 120.570 0.013 0.000 4.526 476 I HA 0.549 4.718 4.170 -0.003 0.000 0.330 476 I C 0.433 176.594 176.117 0.073 0.000 1.323 476 I CA -0.162 61.160 61.300 0.037 0.000 1.218 476 I CB 0.789 38.816 38.000 0.046 0.000 1.233 476 I HN 0.305 nan 8.210 nan 0.000 0.430 477 G N 1.194 110.037 108.800 0.072 0.000 2.746 477 G HA2 0.632 4.591 3.960 -0.003 0.000 0.297 477 G HA3 0.632 4.591 3.960 -0.003 0.000 0.297 477 G C -1.654 173.284 174.900 0.062 0.000 1.426 477 G CA -0.449 44.717 45.100 0.109 0.000 0.989 477 G HN -0.080 nan 8.290 nan 0.000 0.520 478 V N 0.604 120.532 119.914 0.024 0.000 2.623 478 V HA 0.756 4.875 4.120 -0.003 0.000 0.304 478 V C 0.071 176.198 176.094 0.055 0.000 1.054 478 V CA -0.798 61.509 62.300 0.012 0.000 0.882 478 V CB 1.646 33.418 31.823 -0.085 0.000 1.002 478 V HN 1.311 nan 8.190 nan 0.000 0.424 479 A N 4.081 127.010 122.820 0.182 0.000 2.256 479 A HA 0.844 5.162 4.320 -0.003 0.000 0.317 479 A C -0.477 177.298 177.584 0.318 0.000 1.318 479 A CA -0.542 51.679 52.037 0.307 0.000 0.894 479 A CB 0.925 20.155 19.000 0.384 0.000 1.165 479 A HN 0.735 nan 8.150 nan 0.000 0.525 480 K N 1.982 122.565 120.400 0.304 0.000 2.259 480 K HA 0.707 5.026 4.320 -0.003 0.000 0.252 480 K C 0.308 177.085 176.600 0.294 0.000 0.936 480 K CA 0.076 56.520 56.287 0.261 0.000 0.810 480 K CB 1.763 34.352 32.500 0.150 0.000 1.143 480 K HN 0.742 nan 8.250 nan 0.000 0.427 481 G N 0.000 108.927 108.800 0.212 0.000 5.446 481 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 481 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 481 G CA 0.000 45.196 45.100 0.160 0.000 0.502 481 G HN 0.000 nan 8.290 nan 0.000 0.925