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 2i0k_1_A DATA FIRST_RESID 58 DATA SEQUENCE APLPTPPNFP NDIALFQQAY QNWSKEIMLD ATWVCSPKTP QDVVRLANWA DATA SEQUENCE HEHDYKIRPR GAMAGWTPLT VEKGANVEKV ILADTMTHLN GITVNTGGPV DATA SEQUENCE ATVTAGAGAS IEAIVTELQK HDLGWANLPA PGVLSIGGAL AVNAHGAALP DATA SEQUENCE AVGQTTLPGH TYGSLSNLVT ELTAVVWNGT TYALETYQRN DPRITPLLTN DATA SEQUENCE LGRCFLTSVT MQAGPNFRQR CQSYTDIPWR ELFAPKGADG RTFEKFVAES DATA SEQUENCE GGAEAIWYPF TEKPWMKVWT VSXXXXXXXX XXXXXXXXXX XXGKPPQARE DATA SEQUENCE VSGPYNYIFS DNLPEPITDM IGAINAGNPG IAPLFGPAMY EITKLGLAAT DATA SEQUENCE NANDIWGWSK DVQFYIKATT LRLTEGGGAV VTSRANIATV INDFTEWFHE DATA SEQUENCE RIEFYRAKGE FPLNGPVEIR CCGLDQAADV KVPSVGPPTI SATRPRPDHP DATA SEQUENCE DWDVAIWLNV LGVPGTPGMF EFYREMEQWM RSHYNNDDAT FRPEWSKGWA DATA SEQUENCE FGPDPYTDND IVTNKMRATY IEGVPTTENW DTARARYNQI DPHRVFTNGF DATA SEQUENCE MDKLLP 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 58 A HA 0.000 nan 4.320 nan 0.000 0.244 58 A C 0.000 177.545 177.584 -0.066 0.000 1.274 58 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 58 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 59 P HA 0.516 nan 4.420 nan 0.000 0.276 59 P C -0.287 176.975 177.300 -0.063 0.000 1.230 59 P CA -0.138 62.921 63.100 -0.069 0.000 0.776 59 P CB 0.615 32.317 31.700 0.004 0.000 0.888 60 L N 4.494 125.616 121.223 -0.168 0.000 2.464 60 L HA 0.248 4.586 4.340 -0.003 0.000 0.264 60 L C -1.713 175.278 176.870 0.201 0.000 1.199 60 L CA -1.871 52.924 54.840 -0.075 0.000 0.818 60 L CB -0.609 41.227 42.059 -0.372 0.000 1.102 60 L HN 0.295 nan 8.230 nan 0.000 0.473 61 P HA 0.024 nan 4.420 nan 0.000 0.265 61 P C -0.746 176.805 177.300 0.419 0.000 1.193 61 P CA -0.143 63.126 63.100 0.282 0.000 0.765 61 P CB 0.238 32.074 31.700 0.226 0.000 0.823 62 T N 5.445 120.159 114.554 0.268 0.000 2.853 62 T HA 0.179 4.527 4.350 -0.003 0.000 0.298 62 T C -2.018 172.704 174.700 0.037 0.000 0.978 62 T CA -0.643 61.524 62.100 0.111 0.000 1.152 62 T CB -0.568 68.330 68.868 0.049 0.000 0.914 62 T HN 0.303 nan 8.240 nan 0.000 0.539 63 P HA 0.171 nan 4.420 nan 0.000 0.268 63 P C -2.354 174.947 177.300 0.002 0.000 1.204 63 P CA -1.233 61.821 63.100 -0.075 0.000 0.768 63 P CB -0.224 31.212 31.700 -0.441 0.000 0.842 64 P HA 0.011 nan 4.420 nan 0.000 0.276 64 P C -0.270 177.074 177.300 0.073 0.000 1.253 64 P CA 0.116 63.267 63.100 0.084 0.000 0.766 64 P CB 0.244 32.028 31.700 0.139 0.000 0.845 65 N N 0.671 119.411 118.700 0.068 0.000 2.725 65 N HA -0.229 4.509 4.740 -0.003 0.000 0.251 65 N C -0.270 175.247 175.510 0.011 0.000 1.031 65 N CA 0.655 53.747 53.050 0.070 0.000 0.720 65 N CB -1.731 36.841 38.487 0.141 0.000 0.930 65 N HN 0.472 nan 8.380 nan 0.000 0.543 66 F N 1.688 121.417 119.950 -0.367 0.000 2.518 66 F HA 0.175 4.700 4.527 -0.003 0.000 0.359 66 F C -1.334 174.120 175.800 -0.577 0.000 1.118 66 F CA -1.434 56.034 58.000 -0.887 0.000 1.287 66 F CB 0.422 38.877 39.000 -0.909 0.000 1.132 66 F HN -0.020 nan 8.300 nan 0.000 0.587 67 P HA -0.078 nan 4.420 nan 0.000 0.260 67 P C 0.210 177.339 177.300 -0.285 0.000 1.172 67 P CA 0.430 63.182 63.100 -0.579 0.000 0.760 67 P CB 0.391 31.679 31.700 -0.688 0.000 0.773 68 N N 2.590 121.198 118.700 -0.153 0.000 2.381 68 N HA -0.135 4.603 4.740 -0.003 0.000 0.182 68 N C 0.824 176.308 175.510 -0.044 0.000 1.025 68 N CA 1.107 54.115 53.050 -0.070 0.000 0.888 68 N CB 0.049 38.505 38.487 -0.052 0.000 0.965 68 N HN 0.525 nan 8.380 nan 0.000 0.438 69 D N -0.794 119.568 120.400 -0.064 0.000 2.369 69 D HA 0.021 4.660 4.640 -0.003 0.000 0.211 69 D C 0.386 176.674 176.300 -0.020 0.000 1.077 69 D CA -0.122 53.855 54.000 -0.038 0.000 0.842 69 D CB 0.171 40.941 40.800 -0.049 0.000 0.947 69 D HN 0.176 nan 8.370 nan 0.000 0.509 70 I N 1.676 122.233 120.570 -0.020 0.000 2.306 70 I HA 0.345 4.514 4.170 -0.003 0.000 0.288 70 I C 0.390 176.599 176.117 0.153 0.000 1.036 70 I CA -0.889 60.444 61.300 0.054 0.000 1.221 70 I CB 1.438 39.432 38.000 -0.009 0.000 1.385 70 I HN -0.078 nan 8.210 nan 0.000 0.472 71 A N 7.996 130.902 122.820 0.143 0.000 2.440 71 A HA 0.562 4.880 4.320 -0.003 0.000 0.251 71 A C -0.372 177.296 177.584 0.140 0.000 1.089 71 A CA -0.015 52.116 52.037 0.156 0.000 0.779 71 A CB 0.299 19.422 19.000 0.205 0.000 1.022 71 A HN 0.726 nan 8.150 nan 0.000 0.492 72 L N 2.502 123.726 121.223 0.001 0.000 2.329 72 L HA 0.732 5.070 4.340 -0.003 0.000 0.279 72 L C -0.821 176.135 176.870 0.143 0.000 1.014 72 L CA -0.465 54.245 54.840 -0.216 0.000 0.814 72 L CB 1.429 43.070 42.059 -0.697 0.000 1.257 72 L HN 0.822 nan 8.230 nan 0.000 0.424 73 F N 0.036 120.098 119.950 0.186 0.000 2.626 73 F HA 0.566 5.091 4.527 -0.003 0.000 0.311 73 F C -0.553 175.387 175.800 0.233 0.000 1.088 73 F CA -1.021 57.110 58.000 0.219 0.000 0.949 73 F CB 1.543 40.605 39.000 0.104 0.000 1.322 73 F HN 0.331 nan 8.300 nan 0.000 0.461 74 Q N 1.939 121.866 119.800 0.212 0.000 2.290 74 Q HA 0.490 4.828 4.340 -0.003 0.000 0.259 74 Q C -1.376 174.646 176.000 0.037 0.000 0.941 74 Q CA -0.442 55.302 55.803 -0.097 0.000 0.912 74 Q CB 1.441 29.968 28.738 -0.352 0.000 1.244 74 Q HN 0.843 nan 8.270 nan 0.000 0.441 75 Q N 1.359 121.173 119.800 0.023 0.000 2.451 75 Q HA 0.660 4.998 4.340 -0.003 0.000 0.281 75 Q C -1.182 174.832 176.000 0.023 0.000 1.099 75 Q CA -0.966 54.874 55.803 0.062 0.000 0.806 75 Q CB 2.050 30.877 28.738 0.148 0.000 1.419 75 Q HN 0.777 nan 8.270 nan 0.000 0.427 76 A N 0.917 123.749 122.820 0.020 0.000 2.406 76 A HA 0.326 4.644 4.320 -0.003 0.000 0.243 76 A C -1.387 176.244 177.584 0.079 0.000 1.082 76 A CA 0.267 52.319 52.037 0.026 0.000 0.786 76 A CB 0.228 19.224 19.000 -0.006 0.000 1.029 76 A HN 0.647 nan 8.150 nan 0.000 0.495 77 Y N 0.260 120.548 120.300 -0.020 0.000 2.391 77 Y HA 0.504 5.052 4.550 -0.003 0.000 0.341 77 Y C -0.283 175.612 175.900 -0.009 0.000 0.965 77 Y CA -0.460 57.635 58.100 -0.009 0.000 1.067 77 Y CB 1.653 40.109 38.460 -0.006 0.000 1.199 77 Y HN 0.787 nan 8.280 nan 0.000 0.450 78 Q N 4.305 123.827 119.800 -0.464 0.000 2.331 78 Q HA 0.378 4.716 4.340 -0.003 0.000 0.272 78 Q C -1.212 174.593 176.000 -0.324 0.000 1.062 78 Q CA -1.251 54.423 55.803 -0.215 0.000 0.806 78 Q CB 2.204 30.855 28.738 -0.146 0.000 1.312 78 Q HN 0.732 nan 8.270 nan 0.000 0.431 79 N N 1.517 120.213 118.700 -0.006 0.000 2.294 79 N HA -0.048 4.690 4.740 -0.003 0.000 0.248 79 N C 0.228 175.748 175.510 0.016 0.000 1.300 79 N CA -0.510 52.573 53.050 0.055 0.000 0.925 79 N CB 0.620 39.229 38.487 0.203 0.000 1.188 79 N HN 0.954 nan 8.380 nan 0.000 0.512 80 W N 0.246 121.379 121.300 -0.279 0.000 2.363 80 W HA -0.170 4.489 4.660 -0.002 0.000 0.296 80 W C 1.368 177.837 176.519 -0.084 0.000 1.212 80 W CA 2.187 59.318 57.345 -0.357 0.000 1.260 80 W CB -0.117 28.794 29.460 -0.916 0.000 1.131 80 W HN 0.698 nan 8.180 nan 0.000 0.530 81 S N -0.143 115.705 115.700 0.246 0.000 2.593 81 S HA 0.062 4.530 4.470 -0.003 0.000 0.217 81 S C 0.799 175.490 174.600 0.153 0.000 0.966 81 S CA 0.701 59.077 58.200 0.293 0.000 0.914 81 S CB -0.103 63.442 63.200 0.575 0.000 0.776 81 S HN 0.323 nan 8.310 nan 0.000 0.523 82 K N 0.215 120.670 120.400 0.092 0.000 3.341 82 K HA -0.218 4.101 4.320 -0.003 0.000 0.305 82 K C 0.385 177.054 176.600 0.115 0.000 1.270 82 K CA 1.225 57.547 56.287 0.058 0.000 0.897 82 K CB -1.851 30.649 32.500 -0.000 0.000 1.264 82 K HN 0.585 nan 8.250 nan 0.000 0.468 83 E N 0.309 120.624 120.200 0.191 0.000 2.285 83 E HA 0.033 4.381 4.350 -0.003 0.000 0.194 83 E C 0.442 177.141 176.600 0.165 0.000 0.997 83 E CA 0.591 57.118 56.400 0.212 0.000 0.845 83 E CB 0.181 30.073 29.700 0.320 0.000 0.782 83 E HN 0.370 nan 8.360 nan 0.000 0.491 84 I N 1.807 122.474 120.570 0.161 0.000 2.362 84 I HA 0.249 4.418 4.170 -0.003 0.000 0.289 84 I C -0.526 175.672 176.117 0.134 0.000 0.994 84 I CA -0.362 61.021 61.300 0.138 0.000 1.158 84 I CB 1.137 39.230 38.000 0.155 0.000 1.315 84 I HN -0.095 nan 8.210 nan 0.000 0.451 85 M N 7.657 127.319 119.600 0.104 0.000 2.183 85 M HA 0.444 4.922 4.480 -0.003 0.000 0.277 85 M C -1.428 174.917 176.300 0.075 0.000 0.995 85 M CA -0.520 54.830 55.300 0.083 0.000 0.969 85 M CB 2.053 34.680 32.600 0.046 0.000 1.659 85 M HN 0.292 nan 8.290 nan 0.000 0.462 86 L N 3.183 124.463 121.223 0.095 0.000 2.341 86 L HA 0.412 4.750 4.340 -0.003 0.000 0.278 86 L C 1.009 177.900 176.870 0.035 0.000 1.005 86 L CA -0.040 54.835 54.840 0.058 0.000 0.818 86 L CB 1.452 43.548 42.059 0.063 0.000 1.259 86 L HN 0.514 nan 8.230 nan 0.000 0.418 87 D N 1.964 122.365 120.400 0.001 0.000 2.219 87 D HA 0.100 4.739 4.640 -0.003 0.000 0.205 87 D C 0.379 176.654 176.300 -0.042 0.000 0.970 87 D CA 0.930 54.918 54.000 -0.019 0.000 0.851 87 D CB 0.391 41.175 40.800 -0.028 0.000 0.943 87 D HN 0.501 nan 8.370 nan 0.000 0.488 88 A N 0.019 122.801 122.820 -0.064 0.000 2.459 88 A HA 0.592 4.910 4.320 -0.003 0.000 0.296 88 A C -0.427 177.067 177.584 -0.150 0.000 1.039 88 A CA -0.610 51.346 52.037 -0.135 0.000 0.698 88 A CB 1.523 20.404 19.000 -0.199 0.000 1.261 88 A HN 0.018 nan 8.150 nan 0.000 0.405 89 T N -1.552 112.902 114.554 -0.167 0.000 2.900 89 T HA 0.659 5.007 4.350 -0.003 0.000 0.303 89 T C -0.879 173.701 174.700 -0.201 0.000 1.142 89 T CA -0.543 61.472 62.100 -0.142 0.000 1.007 89 T CB 0.856 69.720 68.868 -0.006 0.000 1.156 89 T HN 0.607 nan 8.240 nan 0.000 0.490 90 W N 1.521 122.791 121.300 -0.050 0.000 2.287 90 W HA 0.582 5.240 4.660 -0.003 0.000 0.313 90 W C -0.553 175.850 176.519 -0.193 0.000 1.267 90 W CA -0.583 56.680 57.345 -0.137 0.000 1.201 90 W CB 1.257 30.643 29.460 -0.123 0.000 1.196 90 W HN 0.528 nan 8.180 nan 0.000 0.536 91 V N 4.272 124.134 119.914 -0.087 0.000 2.789 91 V HA 0.534 4.652 4.120 -0.003 0.000 0.311 91 V C 0.020 175.638 176.094 -0.793 0.000 1.073 91 V CA -1.015 61.068 62.300 -0.363 0.000 0.921 91 V CB 1.184 32.790 31.823 -0.362 0.000 1.009 91 V HN 0.759 nan 8.190 nan 0.000 0.426 92 C N 1.068 120.132 119.300 -0.394 0.000 3.154 92 C HA 0.900 5.358 4.460 -0.003 0.000 0.312 92 C C -0.103 174.941 174.990 0.089 0.000 1.349 92 C CA -0.659 58.227 59.018 -0.220 0.000 1.518 92 C CB 1.688 29.417 27.740 -0.018 0.000 1.934 92 C HN 0.727 nan 8.230 nan 0.000 0.462 93 S N 2.787 118.637 115.700 0.251 0.000 2.399 93 S HA 0.481 4.949 4.470 -0.003 0.000 0.215 93 S C -2.686 172.096 174.600 0.303 0.000 1.456 93 S CA -0.349 58.025 58.200 0.291 0.000 1.199 93 S CB 0.626 64.017 63.200 0.320 0.000 1.063 93 S HN 0.804 nan 8.310 nan 0.000 0.476 94 P HA 0.133 nan 4.420 nan 0.000 0.265 94 P C 0.147 177.542 177.300 0.159 0.000 1.193 94 P CA -0.134 63.049 63.100 0.138 0.000 0.765 94 P CB 0.921 32.668 31.700 0.079 0.000 0.823 95 K N 0.720 121.129 120.400 0.015 0.000 2.243 95 K HA 0.038 4.356 4.320 -0.003 0.000 0.201 95 K C 1.111 177.684 176.600 -0.045 0.000 1.051 95 K CA 1.057 57.250 56.287 -0.158 0.000 0.970 95 K CB 0.054 32.373 32.500 -0.301 0.000 0.755 95 K HN 0.661 nan 8.250 nan 0.000 0.465 96 T N -3.569 110.975 114.554 -0.016 0.000 2.864 96 T HA 0.256 4.604 4.350 -0.003 0.000 0.299 96 T C -2.604 172.096 174.700 -0.000 0.000 1.166 96 T CA -1.970 60.128 62.100 -0.003 0.000 1.007 96 T CB 1.971 70.825 68.868 -0.023 0.000 1.219 96 T HN -0.335 nan 8.240 nan 0.000 0.506 97 P HA -0.111 nan 4.420 nan 0.000 0.216 97 P C 1.575 178.856 177.300 -0.032 0.000 1.150 97 P CA 1.018 64.113 63.100 -0.009 0.000 0.837 97 P CB 0.127 31.834 31.700 0.011 0.000 0.786 98 Q N 0.067 119.853 119.800 -0.023 0.000 2.170 98 Q HA -0.165 4.173 4.340 -0.003 0.000 0.203 98 Q C 1.529 177.506 176.000 -0.040 0.000 0.976 98 Q CA 1.648 57.436 55.803 -0.024 0.000 0.858 98 Q CB -1.106 27.620 28.738 -0.020 0.000 0.907 98 Q HN 0.210 nan 8.270 nan 0.000 0.433 99 D N -1.006 119.364 120.400 -0.050 0.000 2.178 99 D HA -0.103 4.536 4.640 -0.003 0.000 0.202 99 D C 1.759 178.005 176.300 -0.089 0.000 0.974 99 D CA 1.114 55.074 54.000 -0.067 0.000 0.841 99 D CB 0.101 40.869 40.800 -0.054 0.000 0.953 99 D HN 0.188 nan 8.370 nan 0.000 0.478 100 V N 0.895 120.736 119.914 -0.120 0.000 2.358 100 V HA -0.190 3.929 4.120 -0.003 0.000 0.246 100 V C 2.725 178.730 176.094 -0.147 0.000 1.047 100 V CA 0.884 63.044 62.300 -0.234 0.000 1.035 100 V CB -0.523 31.005 31.823 -0.492 0.000 0.658 100 V HN 0.043 nan 8.190 nan 0.000 0.452 101 V N 0.182 120.054 119.914 -0.070 0.000 2.287 101 V HA -0.300 3.819 4.120 -0.003 0.000 0.248 101 V C 2.646 178.762 176.094 0.037 0.000 1.053 101 V CA 2.275 64.589 62.300 0.025 0.000 1.027 101 V CB -0.792 31.060 31.823 0.048 0.000 0.646 101 V HN 0.486 nan 8.190 nan 0.000 0.447 102 R N -0.647 119.848 120.500 -0.007 0.000 2.081 102 R HA -0.167 4.171 4.340 -0.003 0.000 0.235 102 R C 2.214 178.506 176.300 -0.014 0.000 1.131 102 R CA 1.496 57.587 56.100 -0.015 0.000 0.960 102 R CB -0.567 29.689 30.300 -0.075 0.000 0.856 102 R HN 0.363 nan 8.270 nan 0.000 0.436 103 L N 0.665 121.853 121.223 -0.058 0.000 2.046 103 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 103 L C 2.231 179.165 176.870 0.107 0.000 1.077 103 L CA 1.919 56.745 54.840 -0.023 0.000 0.747 103 L CB -0.598 41.441 42.059 -0.033 0.000 0.896 103 L HN 0.143 nan 8.230 nan 0.000 0.432 104 A N -0.672 122.163 122.820 0.025 0.000 1.898 104 A HA -0.177 4.141 4.320 -0.003 0.000 0.216 104 A C 2.096 179.653 177.584 -0.045 0.000 1.181 104 A CA 1.659 53.622 52.037 -0.124 0.000 0.620 104 A CB -0.694 18.141 19.000 -0.275 0.000 0.819 104 A HN 0.576 nan 8.150 nan 0.000 0.442 105 N N -1.257 117.529 118.700 0.143 0.000 2.120 105 N HA -0.193 4.546 4.740 -0.003 0.000 0.188 105 N C 1.500 177.126 175.510 0.193 0.000 1.024 105 N CA 1.554 54.767 53.050 0.273 0.000 0.852 105 N CB -0.567 38.079 38.487 0.265 0.000 1.003 105 N HN 0.790 nan 8.380 nan 0.000 0.424 106 W N 2.147 123.450 121.300 0.004 0.000 2.335 106 W HA -0.139 4.519 4.660 -0.003 0.000 0.311 106 W C 2.357 178.924 176.519 0.080 0.000 1.213 106 W CA 2.401 59.742 57.345 -0.006 0.000 1.274 106 W CB -0.376 28.949 29.460 -0.226 0.000 1.148 106 W HN 0.075 nan 8.180 nan 0.000 0.498 107 A N -0.700 122.176 122.820 0.092 0.000 1.902 107 A HA -0.292 4.026 4.320 -0.003 0.000 0.217 107 A C 2.054 179.577 177.584 -0.101 0.000 1.181 107 A CA 1.928 53.922 52.037 -0.071 0.000 0.623 107 A CB -1.631 17.469 19.000 0.166 0.000 0.818 107 A HN 0.693 nan 8.150 nan 0.000 0.443 108 H N -0.627 118.357 119.070 -0.143 0.000 2.319 108 H HA -0.122 4.432 4.556 -0.002 0.000 0.299 108 H C 1.512 176.707 175.328 -0.221 0.000 1.092 108 H CA 1.420 57.383 56.048 -0.142 0.000 1.302 108 H CB 0.087 29.847 29.762 -0.004 0.000 1.373 108 H HN 0.381 nan 8.280 nan 0.000 0.497 109 E N 0.200 120.167 120.200 -0.389 0.000 2.409 109 E HA -0.104 4.244 4.350 -0.003 0.000 0.198 109 E C 0.626 176.763 176.600 -0.772 0.000 1.024 109 E CA 0.876 56.915 56.400 -0.603 0.000 0.861 109 E CB -0.036 29.365 29.700 -0.498 0.000 0.788 109 E HN 0.757 nan 8.360 nan 0.000 0.521 110 H N -0.469 118.283 119.070 -0.531 0.000 2.785 110 H HA 0.131 4.685 4.556 -0.003 0.000 0.268 110 H C -0.565 174.684 175.328 -0.131 0.000 1.153 110 H CA -0.317 55.468 56.048 -0.438 0.000 1.111 110 H CB 0.617 29.847 29.762 -0.887 0.000 1.633 110 H HN -0.105 nan 8.280 nan 0.000 0.576 111 D N 0.015 120.386 120.400 -0.047 0.000 2.772 111 D HA -0.245 4.393 4.640 -0.003 0.000 0.233 111 D C -0.765 175.589 176.300 0.089 0.000 1.143 111 D CA 0.881 54.890 54.000 0.015 0.000 0.700 111 D CB -1.531 39.261 40.800 -0.014 0.000 1.076 111 D HN 0.398 nan 8.370 nan 0.000 0.430 112 Y N -0.083 120.153 120.300 -0.106 0.000 2.432 112 Y HA 0.479 5.027 4.550 -0.003 0.000 0.322 112 Y C 1.337 177.246 175.900 0.015 0.000 1.246 112 Y CA -0.316 57.783 58.100 -0.001 0.000 1.268 112 Y CB 0.916 39.426 38.460 0.083 0.000 1.276 112 Y HN -0.328 nan 8.280 nan 0.000 0.499 113 K N 2.042 122.555 120.400 0.187 0.000 2.208 113 K HA 0.529 4.847 4.320 -0.003 0.000 0.247 113 K C -1.240 175.488 176.600 0.215 0.000 0.953 113 K CA -0.609 55.751 56.287 0.121 0.000 0.837 113 K CB 2.105 34.645 32.500 0.066 0.000 1.131 113 K HN 0.418 nan 8.250 nan 0.000 0.431 114 I N 2.537 123.233 120.570 0.210 0.000 2.465 114 I HA 0.384 4.552 4.170 -0.003 0.000 0.291 114 I C -0.167 176.186 176.117 0.394 0.000 1.014 114 I CA -0.851 60.657 61.300 0.347 0.000 1.093 114 I CB 1.507 39.773 38.000 0.443 0.000 1.267 114 I HN 0.292 nan 8.210 nan 0.000 0.431 115 R N 6.247 126.920 120.500 0.288 0.000 2.534 115 R HA 0.523 4.861 4.340 -0.003 0.000 0.301 115 R C -2.711 173.640 176.300 0.085 0.000 0.961 115 R CA -2.171 54.019 56.100 0.150 0.000 0.871 115 R CB 1.843 32.165 30.300 0.037 0.000 1.170 115 R HN 0.277 nan 8.270 nan 0.000 0.446 116 P HA 0.228 nan 4.420 nan 0.000 0.275 116 P C -0.643 176.556 177.300 -0.167 0.000 1.227 116 P CA -0.370 62.461 63.100 -0.449 0.000 0.781 116 P CB 1.176 32.195 31.700 -1.136 0.000 0.906 117 R N 2.077 122.551 120.500 -0.044 0.000 2.388 117 R HA 0.540 4.878 4.340 -0.003 0.000 0.314 117 R C 0.589 176.902 176.300 0.020 0.000 0.959 117 R CA -0.423 55.695 56.100 0.031 0.000 0.851 117 R CB 0.948 31.315 30.300 0.111 0.000 1.168 117 R HN 0.649 nan 8.270 nan 0.000 0.472 118 G N 1.267 110.066 108.800 -0.002 0.000 3.137 118 G HA2 0.235 4.193 3.960 -0.003 0.000 0.163 118 G HA3 0.235 4.193 3.960 -0.003 0.000 0.163 118 G C 0.546 175.449 174.900 0.005 0.000 1.602 118 G CA 0.392 45.486 45.100 -0.010 0.000 1.067 118 G HN 0.594 nan 8.290 nan 0.000 0.568 119 A N -1.357 121.452 122.820 -0.020 0.000 2.206 119 A HA 0.343 4.661 4.320 -0.003 0.000 0.211 119 A C 1.486 179.061 177.584 -0.013 0.000 1.158 119 A CA 1.144 53.167 52.037 -0.024 0.000 0.761 119 A CB -0.684 18.282 19.000 -0.056 0.000 0.801 119 A HN 0.686 nan 8.150 nan 0.000 0.473 120 M N -3.023 116.573 119.600 -0.006 0.000 2.818 120 M HA -0.246 4.233 4.480 -0.003 0.000 0.194 120 M C 0.598 176.887 176.300 -0.019 0.000 0.586 120 M CA 0.562 55.860 55.300 -0.002 0.000 0.664 120 M CB -2.019 30.535 32.600 -0.077 0.000 2.418 120 M HN 0.549 nan 8.290 nan 0.000 0.517 121 A N 1.167 123.912 122.820 -0.126 0.000 3.126 121 A HA 0.657 4.976 4.320 -0.003 0.000 0.268 121 A C 0.786 178.023 177.584 -0.579 0.000 1.605 121 A CA 0.631 52.410 52.037 -0.429 0.000 1.305 121 A CB -0.348 18.336 19.000 -0.527 0.000 1.160 121 A HN 0.758 nan 8.150 nan 0.000 0.609 122 G N -1.166 107.341 108.800 -0.487 0.000 2.550 122 G HA2 0.456 4.415 3.960 -0.003 0.000 0.293 122 G HA3 0.456 4.415 3.960 -0.003 0.000 0.293 122 G C -0.255 174.511 174.900 -0.223 0.000 1.402 122 G CA -0.366 44.505 45.100 -0.382 0.000 0.784 122 G HN 0.294 nan 8.290 nan 0.000 0.482 123 W N -0.034 121.354 121.300 0.146 0.000 2.782 123 W HA 0.178 4.837 4.660 -0.003 0.000 0.268 123 W C 1.405 177.964 176.519 0.067 0.000 1.043 123 W CA 0.782 58.244 57.345 0.195 0.000 1.387 123 W CB 0.321 29.945 29.460 0.273 0.000 0.904 123 W HN 0.771 nan 8.180 nan 0.000 0.625 124 T N -0.294 114.342 114.554 0.137 0.000 2.813 124 T HA 0.175 4.523 4.350 -0.003 0.000 0.297 124 T C -1.673 172.772 174.700 -0.424 0.000 1.036 124 T CA -0.816 61.036 62.100 -0.414 0.000 1.044 124 T CB 1.754 70.465 68.868 -0.262 0.000 0.993 124 T HN -0.262 nan 8.240 nan 0.000 0.535 125 P HA 0.297 nan 4.420 nan 0.000 0.255 125 P C 0.834 177.981 177.300 -0.255 0.000 1.427 125 P CA -0.021 62.761 63.100 -0.530 0.000 0.863 125 P CB -0.293 30.884 31.700 -0.872 0.000 1.444 126 L N -1.677 119.463 121.223 -0.139 0.000 2.478 126 L HA -0.033 4.305 4.340 -0.003 0.000 0.223 126 L C 1.860 178.701 176.870 -0.049 0.000 1.140 126 L CA 1.107 55.949 54.840 0.002 0.000 0.842 126 L CB -0.774 41.301 42.059 0.028 0.000 0.953 126 L HN 0.042 nan 8.230 nan 0.000 0.452 127 T N -0.992 113.497 114.554 -0.107 0.000 2.967 127 T HA 0.091 4.439 4.350 -0.003 0.000 0.238 127 T C 0.429 174.991 174.700 -0.231 0.000 1.024 127 T CA 0.735 62.730 62.100 -0.176 0.000 1.234 127 T CB 0.225 68.948 68.868 -0.242 0.000 0.931 127 T HN 0.092 nan 8.240 nan 0.000 0.417 128 V N 0.013 119.719 119.914 -0.347 0.000 2.823 128 V HA 0.655 4.774 4.120 -0.003 0.000 0.312 128 V C -1.095 174.901 176.094 -0.163 0.000 1.072 128 V CA -1.233 60.910 62.300 -0.261 0.000 0.937 128 V CB 2.251 33.857 31.823 -0.362 0.000 1.013 128 V HN 0.296 nan 8.190 nan 0.000 0.430 129 E N 1.649 121.793 120.200 -0.093 0.000 2.319 129 E HA 0.300 4.648 4.350 -0.003 0.000 0.268 129 E C -0.493 176.088 176.600 -0.031 0.000 1.050 129 E CA -0.842 55.516 56.400 -0.069 0.000 0.878 129 E CB 1.602 31.288 29.700 -0.023 0.000 1.066 129 E HN 0.736 nan 8.360 nan 0.000 0.406 130 K N 0.742 121.133 120.400 -0.015 0.000 2.491 130 K HA -0.040 4.278 4.320 -0.003 0.000 0.279 130 K C 0.672 177.283 176.600 0.017 0.000 1.026 130 K CA 1.073 57.371 56.287 0.018 0.000 1.070 130 K CB -0.068 32.450 32.500 0.031 0.000 0.887 130 K HN 0.764 nan 8.250 nan 0.000 0.481 131 G N 2.007 110.819 108.800 0.020 0.000 2.155 131 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.257 131 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.257 131 G C 0.097 175.003 174.900 0.010 0.000 0.983 131 G CA 0.281 45.392 45.100 0.017 0.000 0.676 131 G HN 0.916 nan 8.290 nan 0.000 0.528 132 A N -0.299 122.523 122.820 0.002 0.000 2.340 132 A HA 0.619 4.937 4.320 -0.003 0.000 0.268 132 A C 0.587 178.165 177.584 -0.010 0.000 1.100 132 A CA -0.035 52.000 52.037 -0.003 0.000 0.803 132 A CB 0.444 19.438 19.000 -0.010 0.000 1.043 132 A HN 0.534 nan 8.150 nan 0.000 0.488 133 N N 1.510 120.204 118.700 -0.011 0.000 2.405 133 N HA 0.148 4.886 4.740 -0.003 0.000 0.260 133 N C 0.320 175.814 175.510 -0.027 0.000 1.152 133 N CA 0.257 53.297 53.050 -0.018 0.000 0.948 133 N CB 0.983 39.460 38.487 -0.016 0.000 1.111 133 N HN 0.651 nan 8.380 nan 0.000 0.485 134 V N 0.891 120.788 119.914 -0.028 0.000 3.121 134 V HA 0.292 4.410 4.120 -0.003 0.000 0.344 134 V C 1.153 177.249 176.094 0.004 0.000 1.390 134 V CA -0.146 62.141 62.300 -0.021 0.000 1.177 134 V CB -0.372 31.435 31.823 -0.027 0.000 1.163 134 V HN 0.478 nan 8.190 nan 0.000 0.484 135 E N 1.411 121.605 120.200 -0.011 0.000 2.204 135 E HA -0.088 4.260 4.350 -0.003 0.000 0.195 135 E C 0.784 177.358 176.600 -0.042 0.000 0.990 135 E CA 1.071 57.493 56.400 0.036 0.000 0.821 135 E CB 0.044 29.756 29.700 0.019 0.000 0.750 135 E HN 0.643 nan 8.360 nan 0.000 0.477 136 K N 0.739 120.977 120.400 -0.271 0.000 3.135 136 K HA 0.244 4.563 4.320 -0.003 0.000 0.210 136 K C -1.226 175.132 176.600 -0.403 0.000 1.176 136 K CA -0.180 55.574 56.287 -0.889 0.000 1.064 136 K CB 1.395 33.391 32.500 -0.839 0.000 1.009 136 K HN -0.154 nan 8.250 nan 0.000 0.472 137 V N 1.744 121.674 119.914 0.026 0.000 2.709 137 V HA 0.448 4.567 4.120 -0.003 0.000 0.308 137 V C -0.685 175.622 176.094 0.355 0.000 1.062 137 V CA -0.982 61.432 62.300 0.191 0.000 0.901 137 V CB 2.241 34.116 31.823 0.087 0.000 1.003 137 V HN 0.192 nan 8.190 nan 0.000 0.425 138 I N 5.008 125.795 120.570 0.363 0.000 2.406 138 I HA 0.464 4.633 4.170 -0.003 0.000 0.290 138 I C -0.315 175.934 176.117 0.220 0.000 0.999 138 I CA -0.514 60.964 61.300 0.298 0.000 1.124 138 I CB 1.745 39.935 38.000 0.317 0.000 1.289 138 I HN 0.405 nan 8.210 nan 0.000 0.441 139 L N 5.210 126.525 121.223 0.154 0.000 2.276 139 L HA 0.584 4.922 4.340 -0.003 0.000 0.286 139 L C 0.530 177.482 176.870 0.138 0.000 1.061 139 L CA -0.574 54.342 54.840 0.127 0.000 0.807 139 L CB 1.354 43.463 42.059 0.084 0.000 1.177 139 L HN 0.696 nan 8.230 nan 0.000 0.429 140 A N 2.316 125.260 122.820 0.207 0.000 2.412 140 A HA 0.247 4.565 4.320 -0.003 0.000 0.334 140 A C -0.407 177.311 177.584 0.223 0.000 1.419 140 A CA -0.578 51.608 52.037 0.248 0.000 0.930 140 A CB 0.210 19.452 19.000 0.403 0.000 1.149 140 A HN 0.684 nan 8.150 nan 0.000 0.515 141 D N 2.938 123.442 120.400 0.172 0.000 2.412 141 D HA 0.077 4.715 4.640 -0.003 0.000 0.257 141 D C 1.531 177.928 176.300 0.161 0.000 1.217 141 D CA 1.063 55.155 54.000 0.153 0.000 0.897 141 D CB 0.925 41.827 40.800 0.168 0.000 1.132 141 D HN 0.534 nan 8.370 nan 0.000 0.493 142 T N 0.839 115.473 114.554 0.133 0.000 3.057 142 T HA 0.010 4.358 4.350 -0.003 0.000 0.254 142 T C 1.918 176.670 174.700 0.087 0.000 1.094 142 T CA 0.132 62.316 62.100 0.141 0.000 1.088 142 T CB -0.048 68.892 68.868 0.121 0.000 0.934 142 T HN 0.383 nan 8.240 nan 0.000 0.497 143 M N 1.109 120.739 119.600 0.050 0.000 2.349 143 M HA 0.038 4.517 4.480 -0.003 0.000 0.266 143 M C 2.294 178.577 176.300 -0.027 0.000 1.076 143 M CA 0.974 56.283 55.300 0.015 0.000 1.126 143 M CB -0.635 31.968 32.600 0.004 0.000 1.392 143 M HN 0.239 nan 8.290 nan 0.000 0.440 144 T N -0.767 113.743 114.554 -0.073 0.000 2.777 144 T HA -0.108 4.241 4.350 -0.003 0.000 0.266 144 T C 1.480 175.955 174.700 -0.376 0.000 1.040 144 T CA 1.180 63.122 62.100 -0.263 0.000 1.141 144 T CB -0.085 68.566 68.868 -0.362 0.000 0.868 144 T HN 0.423 nan 8.240 nan 0.000 0.444 145 H N -0.998 118.108 119.070 0.060 0.000 3.266 145 H HA 0.351 4.906 4.556 -0.003 0.000 0.246 145 H C 0.638 175.995 175.328 0.048 0.000 0.998 145 H CA 0.023 56.100 56.048 0.049 0.000 1.152 145 H CB 0.255 30.048 29.762 0.051 0.000 1.466 145 H HN 0.224 nan 8.280 nan 0.000 0.481 146 L N 3.821 125.144 121.223 0.167 0.000 2.583 146 L HA 0.121 4.460 4.340 -0.003 0.000 0.239 146 L C 0.173 177.096 176.870 0.088 0.000 1.347 146 L CA -0.053 54.862 54.840 0.125 0.000 1.246 146 L CB -0.453 41.689 42.059 0.137 0.000 1.496 146 L HN 0.262 nan 8.230 nan 0.000 0.413 147 N N -1.098 117.647 118.700 0.075 0.000 2.232 147 N HA 0.073 4.811 4.740 -0.003 0.000 0.240 147 N C 0.395 175.930 175.510 0.041 0.000 1.307 147 N CA -0.307 52.773 53.050 0.050 0.000 0.859 147 N CB 0.432 38.940 38.487 0.034 0.000 1.260 147 N HN 0.154 nan 8.380 nan 0.000 0.501 148 G N 0.566 109.394 108.800 0.046 0.000 2.491 148 G HA2 0.505 4.464 3.960 -0.003 0.000 0.242 148 G HA3 0.505 4.464 3.960 -0.003 0.000 0.242 148 G C -0.523 174.393 174.900 0.026 0.000 1.266 148 G CA -0.238 44.882 45.100 0.034 0.000 0.844 148 G HN 0.310 nan 8.290 nan 0.000 0.571 149 I N 0.677 121.256 120.570 0.015 0.000 2.534 149 I HA 0.337 4.505 4.170 -0.003 0.000 0.288 149 I C -0.535 175.578 176.117 -0.007 0.000 1.077 149 I CA -0.498 60.804 61.300 0.003 0.000 1.051 149 I CB 2.762 40.757 38.000 -0.009 0.000 1.234 149 I HN 0.323 nan 8.210 nan 0.000 0.425 150 T N 4.924 119.467 114.554 -0.018 0.000 2.928 150 T HA 0.408 4.757 4.350 -0.003 0.000 0.296 150 T C -0.425 174.229 174.700 -0.077 0.000 1.000 150 T CA -0.472 61.606 62.100 -0.037 0.000 0.989 150 T CB 2.089 70.946 68.868 -0.019 0.000 1.005 150 T HN 0.128 nan 8.240 nan 0.000 0.442 151 V N 4.251 124.070 119.914 -0.158 0.000 2.465 151 V HA 0.377 4.496 4.120 -0.003 0.000 0.279 151 V C -0.054 175.924 176.094 -0.194 0.000 1.045 151 V CA -0.797 61.354 62.300 -0.248 0.000 0.938 151 V CB 0.953 32.428 31.823 -0.579 0.000 0.986 151 V HN 0.872 nan 8.190 nan 0.000 0.467 152 N N 2.345 120.971 118.700 -0.124 0.000 2.479 152 N HA 0.507 5.245 4.740 -0.003 0.000 0.261 152 N C -0.838 174.633 175.510 -0.065 0.000 0.979 152 N CA -0.510 52.496 53.050 -0.073 0.000 0.930 152 N CB 1.501 39.968 38.487 -0.034 0.000 1.172 152 N HN 0.581 nan 8.380 nan 0.000 0.499 153 T N 1.468 115.989 114.554 -0.056 0.000 2.963 153 T HA 0.670 5.019 4.350 -0.003 0.000 0.343 153 T C 0.012 174.705 174.700 -0.011 0.000 1.146 153 T CA -0.912 61.169 62.100 -0.032 0.000 1.016 153 T CB 0.626 69.479 68.868 -0.025 0.000 1.046 153 T HN 0.720 nan 8.240 nan 0.000 0.496 154 G N 1.242 110.038 108.800 -0.006 0.000 2.040 154 G HA2 0.504 4.462 3.960 -0.003 0.000 0.195 154 G HA3 0.504 4.462 3.960 -0.003 0.000 0.195 154 G C -0.311 174.590 174.900 0.001 0.000 2.245 154 G CA -0.020 45.080 45.100 -0.000 0.000 0.911 154 G HN 0.962 nan 8.290 nan 0.000 0.566 155 G N 2.021 110.823 108.800 0.004 0.000 2.356 155 G HA2 0.741 4.700 3.960 -0.003 0.000 0.281 155 G HA3 0.741 4.700 3.960 -0.003 0.000 0.281 155 G C -1.653 173.252 174.900 0.007 0.000 1.246 155 G CA 0.396 45.500 45.100 0.006 0.000 0.889 155 G HN 0.563 nan 8.290 nan 0.000 0.486 156 P HA 0.308 nan 4.420 nan 0.000 0.239 156 P C -0.000 177.305 177.300 0.009 0.000 1.184 156 P CA 0.697 63.803 63.100 0.009 0.000 0.760 156 P CB 0.590 32.296 31.700 0.010 0.000 0.884 157 V N -1.371 118.549 119.914 0.010 0.000 3.022 157 V HA 0.498 4.617 4.120 -0.003 0.000 0.272 157 V C -1.404 174.699 176.094 0.015 0.000 1.584 157 V CA -0.736 61.572 62.300 0.013 0.000 0.974 157 V CB 1.491 33.325 31.823 0.019 0.000 1.219 157 V HN 0.209 nan 8.190 nan 0.000 0.450 158 A N 3.795 126.624 122.820 0.015 0.000 2.483 158 A HA 0.763 5.081 4.320 -0.003 0.000 0.238 158 A C 0.455 178.059 177.584 0.033 0.000 1.070 158 A CA 0.789 52.832 52.037 0.011 0.000 0.770 158 A CB 0.304 19.305 19.000 0.002 0.000 1.008 158 A HN 1.888 nan 8.150 nan 0.000 0.497 159 T N -1.797 112.769 114.554 0.020 0.000 2.865 159 T HA 0.648 4.996 4.350 -0.003 0.000 0.294 159 T C -0.819 173.895 174.700 0.023 0.000 1.119 159 T CA -0.491 61.639 62.100 0.050 0.000 1.007 159 T CB 1.281 70.177 68.868 0.046 0.000 1.225 159 T HN 1.632 nan 8.240 nan 0.000 0.515 160 V N 0.715 120.669 119.914 0.068 0.000 2.638 160 V HA 0.675 4.793 4.120 -0.003 0.000 0.306 160 V C -0.905 175.229 176.094 0.067 0.000 1.052 160 V CA -0.281 62.039 62.300 0.034 0.000 0.885 160 V CB 2.152 33.982 31.823 0.011 0.000 0.999 160 V HN 1.207 nan 8.190 nan 0.000 0.424 161 T N 6.447 121.021 114.554 0.033 0.000 2.749 161 T HA 0.801 5.150 4.350 -0.003 0.000 0.287 161 T C -0.232 174.494 174.700 0.044 0.000 0.970 161 T CA 0.100 62.226 62.100 0.043 0.000 0.980 161 T CB 1.237 70.121 68.868 0.026 0.000 0.924 161 T HN 1.182 nan 8.240 nan 0.000 0.456 162 A N 2.606 125.464 122.820 0.064 0.000 2.393 162 A HA 0.831 5.149 4.320 -0.003 0.000 0.306 162 A C 0.497 178.119 177.584 0.063 0.000 1.050 162 A CA -0.810 51.264 52.037 0.062 0.000 0.724 162 A CB 1.129 20.179 19.000 0.085 0.000 1.248 162 A HN 0.954 nan 8.150 nan 0.000 0.424 163 G N 0.308 109.142 108.800 0.058 0.000 2.484 163 G HA2 0.463 4.422 3.960 -0.003 0.000 0.235 163 G HA3 0.463 4.422 3.960 -0.003 0.000 0.235 163 G C 1.080 176.020 174.900 0.068 0.000 1.282 163 G CA 0.267 45.406 45.100 0.066 0.000 0.857 163 G HN 1.682 nan 8.290 nan 0.000 0.571 164 A N 1.374 124.239 122.820 0.075 0.000 2.121 164 A HA 0.128 4.447 4.320 -0.003 0.000 0.218 164 A C 2.337 179.945 177.584 0.040 0.000 1.154 164 A CA 1.832 53.902 52.037 0.056 0.000 0.679 164 A CB -0.150 18.883 19.000 0.056 0.000 0.795 164 A HN 1.056 nan 8.150 nan 0.000 0.458 165 G N -1.048 107.785 108.800 0.055 0.000 3.042 165 G HA2 0.404 4.363 3.960 -0.003 0.000 0.212 165 G HA3 0.404 4.363 3.960 -0.003 0.000 0.212 165 G C 0.633 175.550 174.900 0.028 0.000 1.166 165 G CA 0.503 45.627 45.100 0.040 0.000 0.767 165 G HN 0.726 nan 8.290 nan 0.000 0.546 166 A N 1.052 123.892 122.820 0.035 0.000 2.477 166 A HA 0.517 4.836 4.320 -0.003 0.000 0.246 166 A C 1.051 178.646 177.584 0.019 0.000 1.078 166 A CA 0.292 52.344 52.037 0.026 0.000 0.770 166 A CB 0.190 19.211 19.000 0.034 0.000 1.011 166 A HN 0.800 nan 8.150 nan 0.000 0.494 167 S N 2.099 117.798 115.700 -0.001 0.000 2.592 167 S HA 0.289 4.757 4.470 -0.003 0.000 0.271 167 S C 1.161 175.764 174.600 0.005 0.000 1.326 167 S CA 0.028 58.218 58.200 -0.017 0.000 1.024 167 S CB 0.345 63.513 63.200 -0.053 0.000 0.921 167 S HN 1.089 nan 8.310 nan 0.000 0.527 168 I N -1.032 119.553 120.570 0.026 0.000 2.394 168 I HA -0.065 4.104 4.170 -0.003 0.000 0.251 168 I C 2.261 178.427 176.117 0.082 0.000 1.136 168 I CA 1.601 62.977 61.300 0.126 0.000 1.425 168 I CB -0.491 37.664 38.000 0.259 0.000 1.079 168 I HN 0.870 nan 8.210 nan 0.000 0.425 169 E N 1.897 122.041 120.200 -0.093 0.000 2.077 169 E HA -0.218 4.131 4.350 -0.003 0.000 0.193 169 E C 2.326 178.916 176.600 -0.017 0.000 0.989 169 E CA 1.459 57.796 56.400 -0.106 0.000 0.800 169 E CB -0.112 29.410 29.700 -0.296 0.000 0.746 169 E HN 0.631 nan 8.360 nan 0.000 0.452 170 A N 0.868 123.663 122.820 -0.041 0.000 1.902 170 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 170 A C 2.141 179.688 177.584 -0.063 0.000 1.181 170 A CA 1.302 53.316 52.037 -0.038 0.000 0.623 170 A CB -0.583 18.400 19.000 -0.028 0.000 0.818 170 A HN 0.328 nan 8.150 nan 0.000 0.443 171 I N -0.825 119.697 120.570 -0.081 0.000 2.142 171 I HA -0.196 3.973 4.170 -0.003 0.000 0.240 171 I C 2.253 178.189 176.117 -0.303 0.000 1.078 171 I CA 1.172 62.370 61.300 -0.169 0.000 1.343 171 I CB -0.276 37.623 38.000 -0.168 0.000 1.046 171 I HN 0.142 nan 8.210 nan 0.000 0.405 172 V N 0.332 120.051 119.914 -0.324 0.000 2.809 172 V HA -0.189 3.930 4.120 -0.003 0.000 0.256 172 V C 2.380 178.334 176.094 -0.233 0.000 1.080 172 V CA 1.903 63.966 62.300 -0.396 0.000 1.102 172 V CB -0.493 31.132 31.823 -0.330 0.000 0.705 172 V HN 0.476 nan 8.190 nan 0.000 0.475 173 T N -0.283 114.196 114.554 -0.124 0.000 2.777 173 T HA -0.201 4.147 4.350 -0.003 0.000 0.266 173 T C 1.895 176.525 174.700 -0.117 0.000 1.040 173 T CA 1.769 63.809 62.100 -0.100 0.000 1.141 173 T CB -0.091 68.750 68.868 -0.046 0.000 0.868 173 T HN 0.484 nan 8.240 nan 0.000 0.444 174 E N 1.116 121.255 120.200 -0.102 0.000 2.072 174 E HA -0.015 4.333 4.350 -0.003 0.000 0.191 174 E C 2.050 178.632 176.600 -0.030 0.000 0.985 174 E CA 0.899 57.269 56.400 -0.049 0.000 0.801 174 E CB -0.575 29.102 29.700 -0.039 0.000 0.750 174 E HN 0.433 nan 8.360 nan 0.000 0.452 175 L N 0.385 121.514 121.223 -0.156 0.000 2.042 175 L HA -0.235 4.104 4.340 -0.003 0.000 0.210 175 L C 2.816 179.582 176.870 -0.175 0.000 1.076 175 L CA 1.863 56.593 54.840 -0.182 0.000 0.749 175 L CB -0.538 41.308 42.059 -0.355 0.000 0.893 175 L HN 0.335 nan 8.230 nan 0.000 0.432 176 Q N 0.540 120.183 119.800 -0.261 0.000 2.135 176 Q HA -0.237 4.102 4.340 -0.003 0.000 0.204 176 Q C 2.080 177.871 176.000 -0.348 0.000 0.981 176 Q CA 1.515 57.080 55.803 -0.397 0.000 0.856 176 Q CB 0.102 28.578 28.738 -0.437 0.000 0.902 176 Q HN 0.429 nan 8.270 nan 0.000 0.425 177 K N -0.648 119.616 120.400 -0.226 0.000 2.209 177 K HA -0.129 4.190 4.320 -0.003 0.000 0.204 177 K C 1.049 177.424 176.600 -0.374 0.000 1.048 177 K CA 0.911 57.036 56.287 -0.270 0.000 0.940 177 K CB 0.004 32.355 32.500 -0.248 0.000 0.729 177 K HN 0.439 nan 8.250 nan 0.000 0.451 178 H N -0.065 118.905 119.070 -0.167 0.000 2.505 178 H HA 0.023 4.577 4.556 -0.003 0.000 0.286 178 H C -0.373 174.869 175.328 -0.143 0.000 1.072 178 H CA -0.076 55.896 56.048 -0.127 0.000 1.141 178 H CB 0.396 30.099 29.762 -0.099 0.000 1.550 178 H HN 0.163 nan 8.280 nan 0.000 0.547 179 D N 1.044 121.353 120.400 -0.151 0.000 2.723 179 D HA -0.169 4.470 4.640 -0.003 0.000 0.236 179 D C -0.752 175.473 176.300 -0.125 0.000 1.138 179 D CA 0.421 54.300 54.000 -0.201 0.000 0.676 179 D CB -1.321 39.418 40.800 -0.102 0.000 1.069 179 D HN 0.386 nan 8.370 nan 0.000 0.430 180 L N -1.188 119.953 121.223 -0.137 0.000 2.309 180 L HA 0.948 5.286 4.340 -0.003 0.000 0.261 180 L C 1.089 177.883 176.870 -0.128 0.000 1.021 180 L CA -0.315 54.483 54.840 -0.069 0.000 0.823 180 L CB 2.366 44.395 42.059 -0.050 0.000 1.366 180 L HN 0.125 nan 8.230 nan 0.000 0.423 181 G N -0.848 107.953 108.800 0.001 0.000 2.506 181 G HA2 0.475 4.433 3.960 -0.003 0.000 0.292 181 G HA3 0.475 4.433 3.960 -0.003 0.000 0.292 181 G C -2.706 172.329 174.900 0.225 0.000 1.425 181 G CA -0.491 44.572 45.100 -0.061 0.000 0.788 181 G HN 0.278 nan 8.290 nan 0.000 0.490 182 W N -0.191 121.087 121.300 -0.037 0.000 2.606 182 W HA 0.667 5.326 4.660 -0.002 0.000 0.332 182 W C 0.725 177.106 176.519 -0.230 0.000 1.052 182 W CA -0.450 56.830 57.345 -0.108 0.000 1.223 182 W CB 1.943 31.346 29.460 -0.095 0.000 1.383 182 W HN 0.803 nan 8.180 nan 0.000 0.524 183 A N 2.169 124.841 122.820 -0.246 0.000 2.021 183 A HA -0.054 4.265 4.320 -0.003 0.000 0.216 183 A C 0.763 178.257 177.584 -0.150 0.000 1.163 183 A CA 1.016 52.853 52.037 -0.333 0.000 0.676 183 A CB -0.182 18.257 19.000 -0.935 0.000 0.818 183 A HN 0.436 nan 8.150 nan 0.000 0.453 184 N N 0.233 118.842 118.700 -0.153 0.000 2.841 184 N HA 0.404 5.143 4.740 -0.003 0.000 0.257 184 N C -1.377 174.092 175.510 -0.068 0.000 1.396 184 N CA -0.207 52.792 53.050 -0.086 0.000 0.823 184 N CB 0.019 38.480 38.487 -0.044 0.000 1.162 184 N HN 0.207 nan 8.380 nan 0.000 0.503 185 L N 2.268 123.430 121.223 -0.102 0.000 2.312 185 L HA 0.555 4.893 4.340 -0.003 0.000 0.281 185 L C -1.777 175.051 176.870 -0.070 0.000 1.070 185 L CA -1.897 52.898 54.840 -0.075 0.000 0.805 185 L CB 1.092 42.985 42.059 -0.277 0.000 1.174 185 L HN 0.269 nan 8.230 nan 0.000 0.434 186 P HA -0.036 nan 4.420 nan 0.000 0.268 186 P C 0.037 177.352 177.300 0.025 0.000 1.208 186 P CA 0.031 63.089 63.100 -0.070 0.000 0.777 186 P CB 0.768 32.435 31.700 -0.054 0.000 0.875 187 A N 4.188 126.931 122.820 -0.129 0.000 1.930 187 A HA 0.009 4.327 4.320 -0.003 0.000 0.217 187 A C -1.349 176.178 177.584 -0.095 0.000 1.175 187 A CA 1.424 53.275 52.037 -0.311 0.000 0.627 187 A CB -1.955 16.622 19.000 -0.705 0.000 0.815 187 A HN 0.506 nan 8.150 nan 0.000 0.443 188 P HA 0.331 nan 4.420 nan 0.000 0.301 188 P C 0.483 177.655 177.300 -0.214 0.000 1.338 188 P CA 0.025 63.080 63.100 -0.075 0.000 0.834 188 P CB 1.306 32.911 31.700 -0.158 0.000 0.967 189 G N 1.998 110.514 108.800 -0.472 0.000 2.813 189 G HA2 -0.097 3.861 3.960 -0.003 0.000 0.209 189 G HA3 -0.097 3.861 3.960 -0.003 0.000 0.209 189 G C 1.181 175.847 174.900 -0.391 0.000 1.150 189 G CA 0.118 44.659 45.100 -0.932 0.000 0.785 189 G HN 0.451 nan 8.290 nan 0.000 0.535 190 V N 0.898 120.667 119.914 -0.242 0.000 2.759 190 V HA 0.185 4.303 4.120 -0.003 0.000 0.256 190 V C 1.327 177.342 176.094 -0.130 0.000 1.080 190 V CA 0.273 62.475 62.300 -0.164 0.000 1.101 190 V CB -0.356 31.383 31.823 -0.140 0.000 0.698 190 V HN 0.249 nan 8.190 nan 0.000 0.477 191 L N 1.951 123.092 121.223 -0.136 0.000 2.490 191 L HA 0.144 4.482 4.340 -0.003 0.000 0.274 191 L C 0.928 177.766 176.870 -0.054 0.000 1.201 191 L CA 0.553 55.334 54.840 -0.099 0.000 0.869 191 L CB 0.307 42.313 42.059 -0.088 0.000 1.123 191 L HN 0.403 nan 8.230 nan 0.000 0.484 192 S N 2.196 117.870 115.700 -0.043 0.000 2.576 192 S HA 0.069 4.537 4.470 -0.003 0.000 0.276 192 S C 0.889 175.489 174.600 0.000 0.000 1.339 192 S CA -0.678 57.511 58.200 -0.018 0.000 1.039 192 S CB 1.172 64.358 63.200 -0.023 0.000 0.902 192 S HN 0.559 nan 8.310 nan 0.000 0.516 193 I N 3.335 123.924 120.570 0.031 0.000 2.315 193 I HA 0.091 4.259 4.170 -0.003 0.000 0.248 193 I C 2.196 178.318 176.117 0.008 0.000 1.117 193 I CA 1.802 63.134 61.300 0.054 0.000 1.404 193 I CB -1.208 36.858 38.000 0.110 0.000 1.071 193 I HN 0.934 nan 8.210 nan 0.000 0.419 194 G N -0.184 108.608 108.800 -0.014 0.000 2.418 194 G HA2 -0.211 3.748 3.960 -0.003 0.000 0.217 194 G HA3 -0.211 3.748 3.960 -0.003 0.000 0.217 194 G C 1.690 176.542 174.900 -0.081 0.000 1.158 194 G CA 0.637 45.703 45.100 -0.057 0.000 0.771 194 G HN 0.551 nan 8.290 nan 0.000 0.545 195 G N 0.807 109.565 108.800 -0.069 0.000 2.403 195 G HA2 0.140 4.098 3.960 -0.003 0.000 0.216 195 G HA3 0.140 4.098 3.960 -0.003 0.000 0.216 195 G C 2.000 176.871 174.900 -0.048 0.000 1.154 195 G CA 1.392 46.451 45.100 -0.068 0.000 0.784 195 G HN 0.612 nan 8.290 nan 0.000 0.538 196 A N 0.771 123.569 122.820 -0.037 0.000 1.873 196 A HA 0.125 4.444 4.320 -0.003 0.000 0.215 196 A C 2.403 179.969 177.584 -0.030 0.000 1.186 196 A CA 1.143 53.163 52.037 -0.029 0.000 0.616 196 A CB -0.445 18.549 19.000 -0.011 0.000 0.823 196 A HN 0.327 nan 8.150 nan 0.000 0.442 197 L N -0.591 120.608 121.223 -0.039 0.000 2.083 197 L HA -0.202 4.137 4.340 -0.003 0.000 0.209 197 L C 3.023 179.861 176.870 -0.054 0.000 1.083 197 L CA 0.975 55.786 54.840 -0.047 0.000 0.752 197 L CB -0.552 41.476 42.059 -0.051 0.000 0.899 197 L HN 0.434 nan 8.230 nan 0.000 0.433 198 A N -0.077 122.698 122.820 -0.075 0.000 2.024 198 A HA -0.131 4.188 4.320 -0.003 0.000 0.220 198 A C 1.861 179.381 177.584 -0.107 0.000 1.164 198 A CA 1.919 53.887 52.037 -0.116 0.000 0.643 198 A CB -0.569 18.353 19.000 -0.130 0.000 0.806 198 A HN 0.382 nan 8.150 nan 0.000 0.451 199 V N -2.886 117.020 119.914 -0.014 0.000 3.159 199 V HA 0.205 4.323 4.120 -0.003 0.000 0.333 199 V C 0.219 176.425 176.094 0.188 0.000 1.424 199 V CA 0.087 62.446 62.300 0.099 0.000 1.125 199 V CB -1.461 30.464 31.823 0.170 0.000 1.075 199 V HN 0.863 nan 8.190 nan 0.000 0.482 200 N N 0.153 118.922 118.700 0.116 0.000 2.725 200 N HA -0.222 4.517 4.740 -0.003 0.000 0.251 200 N C 0.161 175.751 175.510 0.133 0.000 1.031 200 N CA 0.657 53.792 53.050 0.142 0.000 0.720 200 N CB -1.607 37.017 38.487 0.228 0.000 0.930 200 N HN 1.259 nan 8.380 nan 0.000 0.543 201 A N 0.767 123.610 122.820 0.039 0.000 2.520 201 A HA 0.377 4.695 4.320 -0.003 0.000 0.235 201 A C 0.502 178.054 177.584 -0.054 0.000 1.065 201 A CA 1.014 53.016 52.037 -0.058 0.000 0.764 201 A CB 0.035 18.986 19.000 -0.081 0.000 1.002 201 A HN 1.016 nan 8.150 nan 0.000 0.502 202 H N -1.612 117.356 119.070 -0.171 0.000 2.981 202 H HA 0.738 5.292 4.556 -0.002 0.000 0.327 202 H C 0.057 175.269 175.328 -0.193 0.000 1.342 202 H CA -0.340 55.603 56.048 -0.175 0.000 1.123 202 H CB 0.641 30.271 29.762 -0.218 0.000 1.851 202 H HN 0.829 nan 8.280 nan 0.000 0.531 203 G N -0.880 107.910 108.800 -0.016 0.000 3.175 203 G HA2 0.526 4.484 3.960 -0.003 0.000 0.153 203 G HA3 0.526 4.484 3.960 -0.003 0.000 0.153 203 G C -0.258 174.716 174.900 0.123 0.000 1.216 203 G CA -0.672 44.404 45.100 -0.041 0.000 0.943 203 G HN 1.072 nan 8.290 nan 0.000 0.611 204 A N -0.993 121.829 122.820 0.003 0.000 2.564 204 A HA 0.732 5.050 4.320 -0.003 0.000 0.279 204 A C 0.767 178.397 177.584 0.076 0.000 1.232 204 A CA 0.736 52.826 52.037 0.089 0.000 0.950 204 A CB -0.344 18.693 19.000 0.061 0.000 1.138 204 A HN 1.272 nan 8.150 nan 0.000 0.526 205 A N 0.386 123.255 122.820 0.083 0.000 2.301 205 A HA 0.746 5.064 4.320 -0.003 0.000 0.298 205 A C -0.417 177.312 177.584 0.242 0.000 1.185 205 A CA -0.139 51.993 52.037 0.159 0.000 0.830 205 A CB 0.304 19.424 19.000 0.200 0.000 1.112 205 A HN 0.430 nan 8.150 nan 0.000 0.508 206 L N 3.169 124.433 121.223 0.069 0.000 2.350 206 L HA 0.549 4.887 4.340 -0.003 0.000 0.260 206 L C -2.283 174.289 176.870 -0.497 0.000 1.015 206 L CA -2.380 52.313 54.840 -0.246 0.000 0.821 206 L CB 3.013 45.024 42.059 -0.081 0.000 1.370 206 L HN 0.484 nan 8.230 nan 0.000 0.416 207 P HA 0.160 nan 4.420 nan 0.000 0.275 207 P C -0.782 176.409 177.300 -0.181 0.000 1.227 207 P CA -0.300 62.514 63.100 -0.478 0.000 0.781 207 P CB 1.082 32.500 31.700 -0.470 0.000 0.906 208 A N 3.498 126.279 122.820 -0.064 0.000 2.429 208 A HA 0.155 4.473 4.320 -0.003 0.000 0.242 208 A C 0.324 177.901 177.584 -0.012 0.000 1.088 208 A CA -0.399 51.636 52.037 -0.003 0.000 0.784 208 A CB -0.284 18.740 19.000 0.039 0.000 1.038 208 A HN 0.422 nan 8.150 nan 0.000 0.501 209 V N 1.405 121.324 119.914 0.008 0.000 2.557 209 V HA 0.350 4.468 4.120 -0.003 0.000 0.301 209 V C 1.663 177.764 176.094 0.012 0.000 1.026 209 V CA 1.933 64.238 62.300 0.008 0.000 1.137 209 V CB -0.201 31.631 31.823 0.016 0.000 0.917 209 V HN 1.981 nan 8.190 nan 0.000 0.484 210 G N 3.477 112.282 108.800 0.009 0.000 2.199 210 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.254 210 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.254 210 G C 0.321 175.231 174.900 0.017 0.000 0.982 210 G CA 0.393 45.502 45.100 0.015 0.000 0.632 210 G HN 0.761 nan 8.290 nan 0.000 0.529 211 Q N 1.899 121.704 119.800 0.009 0.000 2.288 211 Q HA 0.515 4.854 4.340 -0.003 0.000 0.258 211 Q C 0.799 176.809 176.000 0.017 0.000 0.957 211 Q CA 0.302 56.113 55.803 0.014 0.000 0.919 211 Q CB 0.512 29.251 28.738 0.001 0.000 1.185 211 Q HN 0.507 nan 8.270 nan 0.000 0.408 212 T N 0.761 115.338 114.554 0.040 0.000 2.909 212 T HA 0.260 4.608 4.350 -0.003 0.000 0.289 212 T C 0.088 174.849 174.700 0.103 0.000 1.005 212 T CA -0.741 61.393 62.100 0.057 0.000 1.084 212 T CB 1.289 70.186 68.868 0.049 0.000 0.975 212 T HN 0.472 nan 8.240 nan 0.000 0.509 213 T N 4.117 118.758 114.554 0.145 0.000 2.738 213 T HA 0.273 4.621 4.350 -0.003 0.000 0.293 213 T C 0.558 175.331 174.700 0.121 0.000 0.913 213 T CA -0.432 61.810 62.100 0.238 0.000 1.103 213 T CB -0.348 68.685 68.868 0.274 0.000 0.880 213 T HN 0.435 nan 8.240 nan 0.000 0.526 214 L N 5.901 127.174 121.223 0.085 0.000 2.485 214 L HA 0.188 4.526 4.340 -0.003 0.000 0.275 214 L C -1.813 174.986 176.870 -0.118 0.000 1.207 214 L CA -1.909 52.896 54.840 -0.058 0.000 0.855 214 L CB -0.202 41.750 42.059 -0.179 0.000 1.114 214 L HN 0.328 nan 8.230 nan 0.000 0.485 215 P HA 0.049 nan 4.420 nan 0.000 0.262 215 P C 0.741 177.981 177.300 -0.100 0.000 1.199 215 P CA 0.809 63.873 63.100 -0.061 0.000 0.763 215 P CB 0.805 32.485 31.700 -0.034 0.000 0.790 216 G N 1.973 110.749 108.800 -0.040 0.000 2.284 216 G HA2 -0.186 3.773 3.960 -0.003 0.000 0.216 216 G HA3 -0.186 3.773 3.960 -0.003 0.000 0.216 216 G C 0.076 175.024 174.900 0.081 0.000 1.009 216 G CA -0.381 44.721 45.100 0.003 0.000 0.625 216 G HN 0.633 nan 8.290 nan 0.000 0.501 217 H N 0.758 119.822 119.070 -0.009 0.000 2.615 217 H HA 0.568 5.122 4.556 -0.003 0.000 0.363 217 H C 0.014 175.250 175.328 -0.153 0.000 1.148 217 H CA 0.701 56.693 56.048 -0.095 0.000 1.401 217 H CB 1.509 31.169 29.762 -0.169 0.000 1.461 217 H HN 0.172 nan 8.280 nan 0.000 0.588 218 T N 1.478 115.954 114.554 -0.131 0.000 2.900 218 T HA 0.195 4.544 4.350 -0.003 0.000 0.295 218 T C -0.288 174.190 174.700 -0.370 0.000 1.044 218 T CA -0.561 61.444 62.100 -0.159 0.000 0.995 218 T CB 0.694 69.512 68.868 -0.083 0.000 1.072 218 T HN 0.507 nan 8.240 nan 0.000 0.473 219 Y N 1.778 122.093 120.300 0.024 0.000 2.457 219 Y HA 0.353 4.901 4.550 -0.003 0.000 0.263 219 Y C 1.757 177.686 175.900 0.049 0.000 1.164 219 Y CA -0.304 57.813 58.100 0.027 0.000 1.274 219 Y CB 0.305 38.786 38.460 0.035 0.000 1.097 219 Y HN 0.743 nan 8.280 nan 0.000 0.523 220 G N 0.109 108.981 108.800 0.119 0.000 2.504 220 G HA2 0.258 4.216 3.960 -0.003 0.000 0.257 220 G HA3 0.258 4.216 3.960 -0.003 0.000 0.257 220 G C 0.053 174.998 174.900 0.074 0.000 1.451 220 G CA -0.212 44.954 45.100 0.109 0.000 1.059 220 G HN 0.229 nan 8.290 nan 0.000 0.550 221 S N -1.289 114.459 115.700 0.081 0.000 2.600 221 S HA 0.176 4.644 4.470 -0.003 0.000 0.265 221 S C 1.529 176.091 174.600 -0.065 0.000 1.325 221 S CA -0.582 57.652 58.200 0.055 0.000 1.002 221 S CB 0.961 64.221 63.200 0.101 0.000 0.921 221 S HN 0.387 nan 8.310 nan 0.000 0.554 222 L N 1.294 122.444 121.223 -0.122 0.000 2.191 222 L HA -0.105 4.233 4.340 -0.003 0.000 0.212 222 L C 2.778 179.521 176.870 -0.213 0.000 1.103 222 L CA 1.164 55.839 54.840 -0.275 0.000 0.769 222 L CB -0.859 41.025 42.059 -0.293 0.000 0.908 222 L HN 0.766 nan 8.230 nan 0.000 0.438 223 S N -0.073 115.566 115.700 -0.102 0.000 2.419 223 S HA -0.186 4.283 4.470 -0.003 0.000 0.235 223 S C 1.690 176.252 174.600 -0.063 0.000 1.019 223 S CA 1.382 59.543 58.200 -0.066 0.000 0.982 223 S CB -0.383 62.807 63.200 -0.017 0.000 0.789 223 S HN 0.444 nan 8.310 nan 0.000 0.490 224 N N 1.194 119.856 118.700 -0.063 0.000 2.459 224 N HA 0.075 4.814 4.740 -0.003 0.000 0.181 224 N C 1.138 176.603 175.510 -0.075 0.000 1.046 224 N CA 0.529 53.550 53.050 -0.048 0.000 0.904 224 N CB -0.278 38.194 38.487 -0.025 0.000 0.964 224 N HN 0.383 nan 8.380 nan 0.000 0.444 225 L N -0.443 120.696 121.223 -0.141 0.000 2.558 225 L HA 0.164 4.502 4.340 -0.003 0.000 0.225 225 L C 0.056 176.875 176.870 -0.084 0.000 1.128 225 L CA -0.128 54.621 54.840 -0.152 0.000 0.868 225 L CB 0.122 41.983 42.059 -0.331 0.000 1.006 225 L HN -0.104 nan 8.230 nan 0.000 0.454 226 V N 0.774 120.650 119.914 -0.064 0.000 2.521 226 V HA -0.042 4.077 4.120 -0.003 0.000 0.286 226 V C 1.563 177.658 176.094 0.002 0.000 1.034 226 V CA 0.841 63.128 62.300 -0.023 0.000 1.045 226 V CB 1.029 32.841 31.823 -0.018 0.000 0.974 226 V HN 0.437 nan 8.190 nan 0.000 0.480 227 T N 1.104 115.671 114.554 0.021 0.000 3.040 227 T HA 0.203 4.551 4.350 -0.003 0.000 0.252 227 T C 0.329 175.053 174.700 0.039 0.000 1.064 227 T CA 0.385 62.502 62.100 0.028 0.000 1.110 227 T CB 0.126 69.013 68.868 0.031 0.000 0.921 227 T HN 0.829 nan 8.240 nan 0.000 0.480 228 E N 0.640 120.869 120.200 0.048 0.000 2.388 228 E HA 0.562 4.911 4.350 -0.003 0.000 0.280 228 E C -1.730 174.916 176.600 0.075 0.000 1.019 228 E CA -1.387 55.053 56.400 0.066 0.000 0.806 228 E CB 1.579 31.313 29.700 0.055 0.000 1.246 228 E HN 0.256 nan 8.360 nan 0.000 0.443 229 L N -1.860 119.429 121.223 0.111 0.000 2.469 229 L HA 0.825 5.163 4.340 -0.003 0.000 0.256 229 L C -0.963 176.000 176.870 0.156 0.000 1.006 229 L CA -0.511 54.397 54.840 0.115 0.000 0.832 229 L CB 2.023 44.139 42.059 0.095 0.000 1.421 229 L HN 0.560 nan 8.230 nan 0.000 0.410 230 T N 0.797 115.427 114.554 0.127 0.000 2.824 230 T HA 0.938 5.286 4.350 -0.003 0.000 0.282 230 T C -0.490 174.296 174.700 0.144 0.000 0.993 230 T CA -0.059 62.115 62.100 0.123 0.000 0.967 230 T CB 1.608 70.519 68.868 0.071 0.000 0.960 230 T HN 1.055 nan 8.240 nan 0.000 0.441 231 A N 2.163 125.091 122.820 0.181 0.000 2.527 231 A HA 0.836 5.155 4.320 -0.003 0.000 0.293 231 A C -0.889 176.799 177.584 0.173 0.000 1.117 231 A CA -0.706 51.437 52.037 0.177 0.000 0.723 231 A CB 1.311 20.438 19.000 0.211 0.000 1.313 231 A HN 0.628 nan 8.150 nan 0.000 0.411 232 V N 1.547 121.554 119.914 0.156 0.000 2.385 232 V HA 0.488 4.606 4.120 -0.003 0.000 0.269 232 V C -0.062 176.295 176.094 0.438 0.000 1.043 232 V CA -0.034 62.408 62.300 0.237 0.000 0.906 232 V CB 0.540 32.464 31.823 0.168 0.000 0.995 232 V HN 1.159 nan 8.190 nan 0.000 0.467 233 V N 2.209 122.390 119.914 0.445 0.000 2.841 233 V HA 0.575 4.693 4.120 -0.003 0.000 0.310 233 V C -0.619 175.680 176.094 0.342 0.000 1.090 233 V CA -1.051 61.513 62.300 0.439 0.000 0.930 233 V CB 1.927 33.944 31.823 0.323 0.000 1.014 233 V HN 0.938 nan 8.190 nan 0.000 0.425 234 W N 6.071 127.354 121.300 -0.030 0.000 2.308 234 W HA 0.244 4.903 4.660 -0.003 0.000 0.324 234 W C 0.332 176.753 176.519 -0.164 0.000 1.387 234 W CA 0.431 57.537 57.345 -0.399 0.000 1.250 234 W CB 1.339 30.478 29.460 -0.533 0.000 1.257 234 W HN 1.055 nan 8.180 nan 0.000 0.554 235 N N 3.809 122.092 118.700 -0.696 0.000 2.230 235 N HA 0.156 4.895 4.740 -0.003 0.000 0.202 235 N C 1.033 176.164 175.510 -0.632 0.000 1.119 235 N CA 0.557 53.309 53.050 -0.497 0.000 0.851 235 N CB 0.550 38.840 38.487 -0.329 0.000 0.990 235 N HN 0.709 nan 8.380 nan 0.000 0.497 236 G N -1.352 106.728 108.800 -1.199 0.000 2.284 236 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.216 236 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.216 236 G C 0.860 175.360 174.900 -0.667 0.000 1.009 236 G CA 0.463 45.165 45.100 -0.662 0.000 0.625 236 G HN 0.399 nan 8.290 nan 0.000 0.501 237 T N -1.017 112.945 114.554 -0.987 0.000 2.980 237 T HA 0.464 4.813 4.350 -0.003 0.000 0.252 237 T C 0.420 174.687 174.700 -0.722 0.000 0.962 237 T CA 1.592 63.338 62.100 -0.590 0.000 0.932 237 T CB 1.165 69.865 68.868 -0.280 0.000 1.188 237 T HN 0.838 nan 8.240 nan 0.000 0.500 238 T N 0.131 114.079 114.554 -1.009 0.000 2.769 238 T HA 0.556 4.904 4.350 -0.003 0.000 0.306 238 T C -1.976 172.507 174.700 -0.362 0.000 1.400 238 T CA -0.650 61.206 62.100 -0.407 0.000 1.007 238 T CB 0.737 69.546 68.868 -0.098 0.000 1.392 238 T HN 0.048 nan 8.240 nan 0.000 0.500 239 Y N 1.196 121.612 120.300 0.195 0.000 2.346 239 Y HA 0.598 5.147 4.550 -0.003 0.000 0.330 239 Y C 0.835 176.784 175.900 0.082 0.000 1.178 239 Y CA 0.390 58.616 58.100 0.209 0.000 1.331 239 Y CB 1.050 39.678 38.460 0.281 0.000 1.253 239 Y HN 0.851 nan 8.280 nan 0.000 0.529 240 A N 2.566 125.509 122.820 0.204 0.000 2.609 240 A HA 0.659 4.978 4.320 -0.003 0.000 0.291 240 A C -1.579 176.069 177.584 0.105 0.000 1.096 240 A CA -0.998 51.099 52.037 0.101 0.000 0.684 240 A CB 0.941 19.945 19.000 0.006 0.000 1.282 240 A HN 0.683 nan 8.150 nan 0.000 0.412 241 L N 0.912 122.169 121.223 0.056 0.000 2.416 241 L HA 0.505 4.843 4.340 -0.003 0.000 0.272 241 L C 0.229 177.100 176.870 0.002 0.000 1.161 241 L CA 0.176 55.041 54.840 0.043 0.000 0.845 241 L CB 0.699 42.770 42.059 0.020 0.000 1.119 241 L HN 0.832 nan 8.230 nan 0.000 0.464 242 E N 1.454 121.651 120.200 -0.006 0.000 2.292 242 E HA 0.421 4.770 4.350 -0.003 0.000 0.272 242 E C -1.401 175.079 176.600 -0.199 0.000 0.881 242 E CA -0.493 55.819 56.400 -0.146 0.000 0.754 242 E CB 2.013 31.593 29.700 -0.199 0.000 1.201 242 E HN 0.442 nan 8.360 nan 0.000 0.425 243 T N 3.666 118.047 114.554 -0.289 0.000 2.797 243 T HA 0.486 4.835 4.350 -0.003 0.000 0.279 243 T C -1.222 173.273 174.700 -0.342 0.000 0.991 243 T CA -0.314 61.675 62.100 -0.186 0.000 0.979 243 T CB 0.201 69.020 68.868 -0.080 0.000 0.943 243 T HN 0.293 nan 8.240 nan 0.000 0.444 244 Y N 1.616 121.925 120.300 0.016 0.000 2.409 244 Y HA 0.457 5.005 4.550 -0.003 0.000 0.343 244 Y C 0.533 176.438 175.900 0.009 0.000 0.973 244 Y CA -1.283 56.823 58.100 0.011 0.000 1.064 244 Y CB 1.359 39.826 38.460 0.012 0.000 1.207 244 Y HN 0.363 nan 8.280 nan 0.000 0.452 245 Q N 1.198 121.085 119.800 0.145 0.000 2.212 245 Q HA 0.250 4.589 4.340 -0.003 0.000 0.238 245 Q C 0.999 177.049 176.000 0.085 0.000 0.955 245 Q CA -0.708 55.148 55.803 0.088 0.000 0.906 245 Q CB 1.341 30.110 28.738 0.052 0.000 1.215 245 Q HN 0.641 nan 8.270 nan 0.000 0.478 246 R N 1.693 122.225 120.500 0.053 0.000 2.237 246 R HA -0.105 4.234 4.340 -0.003 0.000 0.219 246 R C 0.976 177.293 176.300 0.029 0.000 1.080 246 R CA 1.309 57.430 56.100 0.036 0.000 0.995 246 R CB -0.182 30.132 30.300 0.024 0.000 0.875 246 R HN 0.616 nan 8.270 nan 0.000 0.462 247 N N -0.581 118.138 118.700 0.033 0.000 2.370 247 N HA -0.068 4.671 4.740 -0.003 0.000 0.198 247 N C -0.818 174.711 175.510 0.032 0.000 1.156 247 N CA 0.075 53.141 53.050 0.026 0.000 0.839 247 N CB -0.097 38.402 38.487 0.021 0.000 0.989 247 N HN 0.020 nan 8.380 nan 0.000 0.468 248 D N 0.893 121.323 120.400 0.049 0.000 2.280 248 D HA 0.287 4.925 4.640 -0.003 0.000 0.236 248 D C -1.759 174.564 176.300 0.038 0.000 1.082 248 D CA -2.204 51.836 54.000 0.067 0.000 0.834 248 D CB 2.148 43.032 40.800 0.141 0.000 1.100 248 D HN -0.092 nan 8.370 nan 0.000 0.486 249 P HA -0.097 nan 4.420 nan 0.000 0.218 249 P C 1.012 178.288 177.300 -0.040 0.000 1.146 249 P CA 0.982 64.076 63.100 -0.010 0.000 0.813 249 P CB 0.266 31.962 31.700 -0.007 0.000 0.778 250 R N -1.053 119.433 120.500 -0.023 0.000 2.237 250 R HA 0.018 4.356 4.340 -0.003 0.000 0.219 250 R C 2.245 178.382 176.300 -0.271 0.000 1.080 250 R CA 0.668 56.706 56.100 -0.104 0.000 0.995 250 R CB -0.735 29.573 30.300 0.013 0.000 0.875 250 R HN 0.277 nan 8.270 nan 0.000 0.462 251 I N 1.186 121.638 120.570 -0.196 0.000 2.617 251 I HA -0.185 3.983 4.170 -0.003 0.000 0.256 251 I C 1.867 177.887 176.117 -0.161 0.000 1.167 251 I CA 1.149 62.309 61.300 -0.233 0.000 1.469 251 I CB -0.054 37.904 38.000 -0.070 0.000 1.098 251 I HN 0.254 nan 8.210 nan 0.000 0.436 252 T N -0.686 113.797 114.554 -0.119 0.000 2.788 252 T HA -0.031 4.317 4.350 -0.003 0.000 0.268 252 T C -0.560 174.080 174.700 -0.101 0.000 1.044 252 T CA 0.760 62.809 62.100 -0.086 0.000 1.139 252 T CB -1.918 66.914 68.868 -0.059 0.000 0.867 252 T HN 0.236 nan 8.240 nan 0.000 0.454 253 P HA 0.104 nan 4.420 nan 0.000 0.222 253 P C 1.190 178.490 177.300 -0.000 0.000 1.147 253 P CA 0.436 63.424 63.100 -0.186 0.000 0.790 253 P CB -0.171 31.232 31.700 -0.494 0.000 0.780 254 L N -1.727 119.464 121.223 -0.053 0.000 2.418 254 L HA 0.013 4.352 4.340 -0.003 0.000 0.218 254 L C 2.115 178.958 176.870 -0.044 0.000 1.125 254 L CA 1.203 56.025 54.840 -0.030 0.000 0.835 254 L CB -1.322 40.659 42.059 -0.130 0.000 0.953 254 L HN -0.042 nan 8.230 nan 0.000 0.454 255 L N -1.381 119.813 121.223 -0.047 0.000 2.141 255 L HA -0.077 4.261 4.340 -0.003 0.000 0.209 255 L C 0.198 177.043 176.870 -0.041 0.000 1.094 255 L CA 0.920 55.736 54.840 -0.039 0.000 0.763 255 L CB -0.461 41.580 42.059 -0.030 0.000 0.908 255 L HN 0.138 nan 8.230 nan 0.000 0.437 256 T N 0.157 114.685 114.554 -0.044 0.000 3.008 256 T HA 0.210 4.559 4.350 -0.003 0.000 0.328 256 T C 0.075 174.695 174.700 -0.132 0.000 1.020 256 T CA -0.538 61.517 62.100 -0.075 0.000 1.043 256 T CB 0.952 69.802 68.868 -0.030 0.000 1.010 256 T HN 0.243 nan 8.240 nan 0.000 0.466 257 N N 2.642 121.227 118.700 -0.192 0.000 2.159 257 N HA 0.155 4.894 4.740 -0.003 0.000 0.217 257 N C 0.778 176.026 175.510 -0.437 0.000 1.223 257 N CA -0.414 52.465 53.050 -0.285 0.000 0.896 257 N CB -0.326 38.023 38.487 -0.229 0.000 1.064 257 N HN 0.523 nan 8.380 nan 0.000 0.518 258 L N -0.498 120.498 121.223 -0.380 0.000 4.179 258 L HA -0.251 4.087 4.340 -0.003 0.000 0.418 258 L C 1.078 177.787 176.870 -0.269 0.000 1.168 258 L CA 0.595 55.224 54.840 -0.351 0.000 0.972 258 L CB -1.985 39.791 42.059 -0.473 0.000 2.005 258 L HN 0.551 nan 8.230 nan 0.000 0.935 259 G N -0.326 108.308 108.800 -0.277 0.000 2.143 259 G HA2 -0.387 3.572 3.960 -0.003 0.000 0.248 259 G HA3 -0.387 3.572 3.960 -0.003 0.000 0.248 259 G C 0.685 175.429 174.900 -0.260 0.000 0.991 259 G CA 0.744 45.686 45.100 -0.262 0.000 0.689 259 G HN 0.460 nan 8.290 nan 0.000 0.522 260 R N 0.301 120.580 120.500 -0.368 0.000 2.236 260 R HA 0.249 4.588 4.340 -0.003 0.000 0.208 260 R C 1.721 177.870 176.300 -0.250 0.000 1.036 260 R CA 1.456 57.328 56.100 -0.380 0.000 1.001 260 R CB -0.754 29.063 30.300 -0.806 0.000 0.896 260 R HN 1.033 nan 8.270 nan 0.000 0.464 261 C N -2.318 116.809 119.300 -0.289 0.000 2.562 261 C HA 0.630 5.088 4.460 -0.003 0.000 0.332 261 C C -0.280 174.504 174.990 -0.345 0.000 1.201 261 C CA -1.749 57.148 59.018 -0.201 0.000 1.803 261 C CB 0.647 28.338 27.740 -0.081 0.000 2.328 261 C HN 0.323 nan 8.230 nan 0.000 0.500 262 F N 2.775 122.332 119.950 -0.654 0.000 2.332 262 F HA 0.603 5.129 4.527 -0.003 0.000 0.368 262 F C -0.197 175.437 175.800 -0.278 0.000 1.110 262 F CA -0.776 56.870 58.000 -0.591 0.000 1.087 262 F CB 0.607 39.004 39.000 -1.005 0.000 1.235 262 F HN 0.575 nan 8.300 nan 0.000 0.470 263 L N 5.408 126.665 121.223 0.057 0.000 2.326 263 L HA 0.258 4.596 4.340 -0.003 0.000 0.278 263 L C 1.147 178.154 176.870 0.229 0.000 1.092 263 L CA -0.187 54.718 54.840 0.109 0.000 0.810 263 L CB 1.566 43.634 42.059 0.015 0.000 1.153 263 L HN 0.684 nan 8.230 nan 0.000 0.439 264 T N -2.636 112.027 114.554 0.182 0.000 3.000 264 T HA 0.087 4.436 4.350 -0.003 0.000 0.248 264 T C 0.630 175.395 174.700 0.110 0.000 1.034 264 T CA 0.029 62.227 62.100 0.163 0.000 1.060 264 T CB 0.512 69.441 68.868 0.102 0.000 0.983 264 T HN 0.469 nan 8.240 nan 0.000 0.482 265 S N -0.610 115.144 115.700 0.090 0.000 2.547 265 S HA 0.670 5.138 4.470 -0.003 0.000 0.270 265 S C -1.956 172.687 174.600 0.070 0.000 1.150 265 S CA -0.512 57.732 58.200 0.074 0.000 0.850 265 S CB 2.038 65.276 63.200 0.062 0.000 1.118 265 S HN 0.473 nan 8.310 nan 0.000 0.461 266 V N 2.413 122.367 119.914 0.068 0.000 3.007 266 V HA 0.823 4.941 4.120 -0.003 0.000 0.311 266 V C -1.011 175.126 176.094 0.072 0.000 1.120 266 V CA -0.154 62.185 62.300 0.066 0.000 0.980 266 V CB 2.413 34.270 31.823 0.058 0.000 1.033 266 V HN 1.026 nan 8.190 nan 0.000 0.429 267 T N 7.266 121.860 114.554 0.066 0.000 2.807 267 T HA 0.684 5.033 4.350 -0.003 0.000 0.279 267 T C -0.541 174.204 174.700 0.076 0.000 0.993 267 T CA -0.274 61.869 62.100 0.071 0.000 0.970 267 T CB 1.190 70.090 68.868 0.053 0.000 0.950 267 T HN 0.626 nan 8.240 nan 0.000 0.441 268 M N 2.768 122.438 119.600 0.117 0.000 2.457 268 M HA 0.366 4.844 4.480 -0.003 0.000 0.300 268 M C -0.168 176.229 176.300 0.162 0.000 1.141 268 M CA -1.016 54.352 55.300 0.115 0.000 0.901 268 M CB 2.588 35.279 32.600 0.151 0.000 1.687 268 M HN 0.601 nan 8.290 nan 0.000 0.449 269 Q N 1.409 121.272 119.800 0.105 0.000 2.394 269 Q HA 0.722 5.061 4.340 -0.003 0.000 0.248 269 Q C -0.916 175.251 176.000 0.278 0.000 0.992 269 Q CA -0.635 55.247 55.803 0.132 0.000 0.888 269 Q CB 0.920 29.698 28.738 0.068 0.000 1.257 269 Q HN 0.690 nan 8.270 nan 0.000 0.462 270 A N 1.352 124.326 122.820 0.257 0.000 2.386 270 A HA 0.799 5.118 4.320 -0.003 0.000 0.311 270 A C -0.284 177.416 177.584 0.194 0.000 1.068 270 A CA -0.195 52.046 52.037 0.341 0.000 0.743 270 A CB 1.770 20.890 19.000 0.199 0.000 1.258 270 A HN 0.861 nan 8.150 nan 0.000 0.429 271 G N 0.265 109.208 108.800 0.238 0.000 2.642 271 G HA2 0.695 4.654 3.960 -0.003 0.000 0.291 271 G HA3 0.695 4.654 3.960 -0.003 0.000 0.291 271 G C -3.016 171.888 174.900 0.007 0.000 1.345 271 G CA -1.881 43.154 45.100 -0.108 0.000 1.043 271 G HN 0.491 nan 8.290 nan 0.000 0.528 272 P HA 0.096 nan 4.420 nan 0.000 0.271 272 P C -0.181 177.290 177.300 0.285 0.000 1.218 272 P CA -0.503 62.644 63.100 0.077 0.000 0.780 272 P CB 0.665 32.400 31.700 0.058 0.000 0.901 273 N N 1.556 120.357 118.700 0.168 0.000 2.399 273 N HA 0.382 5.120 4.740 -0.003 0.000 0.250 273 N C -0.843 174.923 175.510 0.428 0.000 1.272 273 N CA 0.040 53.176 53.050 0.143 0.000 0.928 273 N CB -0.113 38.206 38.487 -0.280 0.000 1.158 273 N HN 0.332 nan 8.380 nan 0.000 0.463 274 F N -1.581 118.558 119.950 0.316 0.000 2.654 274 F HA 0.582 5.108 4.527 -0.002 0.000 0.308 274 F C -0.318 175.641 175.800 0.265 0.000 1.108 274 F CA -1.280 56.912 58.000 0.320 0.000 0.957 274 F CB 0.907 40.042 39.000 0.227 0.000 1.309 274 F HN 0.018 nan 8.300 nan 0.000 0.446 275 R N 1.910 122.495 120.500 0.142 0.000 2.459 275 R HA 0.486 4.824 4.340 -0.003 0.000 0.281 275 R C -1.079 175.182 176.300 -0.065 0.000 1.050 275 R CA -0.538 55.355 56.100 -0.344 0.000 1.055 275 R CB 1.487 31.455 30.300 -0.554 0.000 1.045 275 R HN 0.991 nan 8.270 nan 0.000 0.495 276 Q N 0.988 120.605 119.800 -0.306 0.000 2.320 276 Q HA 0.286 4.625 4.340 -0.003 0.000 0.272 276 Q C -1.276 174.747 176.000 0.039 0.000 1.023 276 Q CA -0.606 55.233 55.803 0.060 0.000 0.855 276 Q CB 2.589 31.449 28.738 0.204 0.000 1.367 276 Q HN 0.464 nan 8.270 nan 0.000 0.406 277 R N 1.683 122.347 120.500 0.273 0.000 2.457 277 R HA 0.588 4.926 4.340 -0.003 0.000 0.284 277 R C -1.465 174.929 176.300 0.156 0.000 1.024 277 R CA -0.249 56.022 56.100 0.285 0.000 1.025 277 R CB 1.318 31.800 30.300 0.304 0.000 1.063 277 R HN 0.673 nan 8.270 nan 0.000 0.493 278 C N 4.521 123.838 119.300 0.028 0.000 2.356 278 C HA 0.379 4.837 4.460 -0.003 0.000 0.324 278 C C -0.830 174.045 174.990 -0.191 0.000 1.167 278 C CA -0.456 58.416 59.018 -0.242 0.000 1.420 278 C CB 0.919 28.448 27.740 -0.351 0.000 2.036 278 C HN 0.831 nan 8.230 nan 0.000 0.435 279 Q N 3.177 122.824 119.800 -0.254 0.000 2.256 279 Q HA 0.526 4.865 4.340 -0.003 0.000 0.257 279 Q C -0.336 175.396 176.000 -0.447 0.000 0.936 279 Q CA -0.081 55.536 55.803 -0.309 0.000 0.903 279 Q CB 1.946 30.505 28.738 -0.298 0.000 1.263 279 Q HN 0.743 nan 8.270 nan 0.000 0.440 280 S N 1.693 117.145 115.700 -0.414 0.000 2.501 280 S HA 0.584 5.052 4.470 -0.003 0.000 0.301 280 S C -1.359 172.938 174.600 -0.505 0.000 1.096 280 S CA -0.555 57.491 58.200 -0.258 0.000 1.063 280 S CB 0.549 63.807 63.200 0.097 0.000 1.042 280 S HN 0.356 nan 8.310 nan 0.000 0.494 281 Y N 0.372 120.690 120.300 0.030 0.000 2.391 281 Y HA 0.410 4.958 4.550 -0.003 0.000 0.341 281 Y C 1.154 177.114 175.900 0.100 0.000 0.965 281 Y CA -0.915 57.201 58.100 0.026 0.000 1.067 281 Y CB 1.876 40.325 38.460 -0.019 0.000 1.199 281 Y HN 0.714 nan 8.280 nan 0.000 0.450 282 T N -3.863 110.817 114.554 0.210 0.000 3.231 282 T HA 0.070 4.419 4.350 -0.003 0.000 0.292 282 T C 0.068 174.938 174.700 0.283 0.000 1.001 282 T CA -0.168 62.078 62.100 0.244 0.000 0.920 282 T CB -0.113 68.773 68.868 0.030 0.000 1.140 282 T HN 0.636 nan 8.240 nan 0.000 0.525 283 D N 0.950 121.478 120.400 0.213 0.000 2.440 283 D HA 0.202 4.840 4.640 -0.003 0.000 0.216 283 D C 0.180 176.535 176.300 0.092 0.000 1.150 283 D CA -0.516 53.576 54.000 0.153 0.000 0.832 283 D CB -0.147 40.730 40.800 0.129 0.000 0.992 283 D HN 0.496 nan 8.370 nan 0.000 0.502 284 I N 1.382 121.998 120.570 0.077 0.000 2.321 284 I HA 0.295 4.464 4.170 -0.003 0.000 0.291 284 I C -2.361 173.724 176.117 -0.053 0.000 0.998 284 I CA -2.346 58.949 61.300 -0.008 0.000 1.227 284 I CB 1.591 39.572 38.000 -0.031 0.000 1.368 284 I HN -0.371 nan 8.210 nan 0.000 0.466 285 P HA -0.095 nan 4.420 nan 0.000 0.266 285 P C 0.807 177.962 177.300 -0.242 0.000 1.195 285 P CA -0.192 62.826 63.100 -0.136 0.000 0.768 285 P CB 0.327 31.919 31.700 -0.180 0.000 0.838 286 W N 4.862 125.939 121.300 -0.371 0.000 2.342 286 W HA -0.150 4.509 4.660 -0.003 0.000 0.297 286 W C 0.958 177.218 176.519 -0.433 0.000 1.213 286 W CA 0.887 57.841 57.345 -0.652 0.000 1.251 286 W CB -1.140 27.720 29.460 -1.000 0.000 1.136 286 W HN 0.310 nan 8.180 nan 0.000 0.526 287 R N 0.868 120.796 120.500 -0.954 0.000 2.148 287 R HA -0.114 4.225 4.340 -0.003 0.000 0.223 287 R C 2.332 178.419 176.300 -0.356 0.000 1.088 287 R CA 1.692 57.323 56.100 -0.781 0.000 0.985 287 R CB -0.359 29.371 30.300 -0.951 0.000 0.880 287 R HN 0.350 nan 8.270 nan 0.000 0.451 288 E N 0.725 120.735 120.200 -0.317 0.000 2.046 288 E HA -0.174 4.174 4.350 -0.003 0.000 0.190 288 E C 1.846 178.353 176.600 -0.155 0.000 0.982 288 E CA 0.670 56.951 56.400 -0.198 0.000 0.800 288 E CB 0.082 29.677 29.700 -0.175 0.000 0.756 288 E HN 0.101 nan 8.360 nan 0.000 0.449 289 L N 0.117 121.196 121.223 -0.240 0.000 2.046 289 L HA -0.063 4.276 4.340 -0.003 0.000 0.208 289 L C 1.015 177.858 176.870 -0.045 0.000 1.077 289 L CA 1.644 56.344 54.840 -0.232 0.000 0.747 289 L CB -0.162 41.562 42.059 -0.558 0.000 0.896 289 L HN 0.144 nan 8.230 nan 0.000 0.432 290 F N 0.104 120.096 119.950 0.070 0.000 2.986 290 F HA 0.459 4.985 4.527 -0.003 0.000 0.297 290 F C 0.868 176.702 175.800 0.056 0.000 1.210 290 F CA -0.610 57.444 58.000 0.090 0.000 1.346 290 F CB -0.380 38.678 39.000 0.097 0.000 1.007 290 F HN 0.064 nan 8.300 nan 0.000 0.512 291 A N 0.775 123.693 122.820 0.164 0.000 2.287 291 A HA 0.593 4.912 4.320 -0.003 0.000 0.273 291 A C -2.259 175.383 177.584 0.097 0.000 1.091 291 A CA -1.556 50.528 52.037 0.078 0.000 0.817 291 A CB 0.117 19.121 19.000 0.007 0.000 1.069 291 A HN 0.057 nan 8.150 nan 0.000 0.492 292 P HA 0.093 nan 4.420 nan 0.000 0.271 292 P C -0.412 176.923 177.300 0.058 0.000 1.233 292 P CA -0.404 62.739 63.100 0.072 0.000 0.789 292 P CB 0.329 32.062 31.700 0.054 0.000 0.951 293 K N 1.076 121.511 120.400 0.058 0.000 2.530 293 K HA 0.088 4.407 4.320 -0.003 0.000 0.280 293 K C 1.064 177.682 176.600 0.030 0.000 1.004 293 K CA 1.229 57.544 56.287 0.047 0.000 1.071 293 K CB -0.926 31.599 32.500 0.043 0.000 0.876 293 K HN 0.785 nan 8.250 nan 0.000 0.487 294 G N 1.922 110.736 108.800 0.023 0.000 2.162 294 G HA2 -0.313 3.646 3.960 -0.003 0.000 0.260 294 G HA3 -0.313 3.646 3.960 -0.003 0.000 0.260 294 G C 0.179 175.076 174.900 -0.004 0.000 0.976 294 G CA 0.228 45.333 45.100 0.008 0.000 0.655 294 G HN 0.937 nan 8.290 nan 0.000 0.533 295 A N -0.083 122.735 122.820 -0.003 0.000 2.406 295 A HA 0.520 4.838 4.320 -0.003 0.000 0.243 295 A C 0.564 178.125 177.584 -0.038 0.000 1.082 295 A CA 0.312 52.338 52.037 -0.018 0.000 0.786 295 A CB 0.318 19.308 19.000 -0.017 0.000 1.029 295 A HN 0.310 nan 8.150 nan 0.000 0.495 296 D N -0.055 120.317 120.400 -0.046 0.000 2.368 296 D HA 0.459 5.097 4.640 -0.003 0.000 0.240 296 D C 0.976 177.228 176.300 -0.080 0.000 1.169 296 D CA 1.773 55.738 54.000 -0.059 0.000 0.906 296 D CB 0.561 41.328 40.800 -0.054 0.000 1.187 296 D HN 1.219 nan 8.370 nan 0.000 0.435 297 G N 0.587 109.329 108.800 -0.097 0.000 2.587 297 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.212 297 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.212 297 G C -0.681 174.112 174.900 -0.177 0.000 1.327 297 G CA -0.794 44.234 45.100 -0.120 0.000 0.898 297 G HN 0.522 nan 8.290 nan 0.000 0.551 298 R N 1.481 121.864 120.500 -0.195 0.000 3.235 298 R HA 0.433 4.771 4.340 -0.003 0.000 0.232 298 R C 0.846 176.991 176.300 -0.257 0.000 1.475 298 R CA 0.446 56.358 56.100 -0.314 0.000 1.405 298 R CB -0.073 30.096 30.300 -0.218 0.000 1.266 298 R HN 0.775 nan 8.270 nan 0.000 0.650 299 T N -2.750 111.642 114.554 -0.269 0.000 2.918 299 T HA 0.155 4.503 4.350 -0.003 0.000 0.283 299 T C 1.017 175.743 174.700 0.043 0.000 1.001 299 T CA -0.784 61.277 62.100 -0.065 0.000 1.041 299 T CB 0.963 69.820 68.868 -0.019 0.000 1.028 299 T HN 0.328 nan 8.240 nan 0.000 0.511 300 F N 1.756 121.787 119.950 0.135 0.000 2.091 300 F HA -0.140 4.385 4.527 -0.003 0.000 0.299 300 F C 2.650 178.569 175.800 0.198 0.000 1.103 300 F CA 2.268 60.432 58.000 0.275 0.000 1.228 300 F CB -0.119 39.068 39.000 0.312 0.000 0.984 300 F HN 0.918 nan 8.300 nan 0.000 0.477 301 E N -0.014 120.413 120.200 0.378 0.000 2.153 301 E HA -0.245 4.103 4.350 -0.003 0.000 0.194 301 E C 1.995 178.659 176.600 0.106 0.000 0.988 301 E CA 1.412 57.958 56.400 0.242 0.000 0.811 301 E CB -0.531 29.263 29.700 0.157 0.000 0.746 301 E HN 0.424 nan 8.360 nan 0.000 0.466 302 K N 0.070 120.460 120.400 -0.017 0.000 2.097 302 K HA -0.055 4.263 4.320 -0.003 0.000 0.205 302 K C 1.917 178.439 176.600 -0.130 0.000 1.050 302 K CA 1.448 57.653 56.287 -0.137 0.000 0.938 302 K CB -0.219 32.103 32.500 -0.296 0.000 0.718 302 K HN 0.159 nan 8.250 nan 0.000 0.442 303 F N 0.537 120.462 119.950 -0.042 0.000 2.134 303 F HA -0.229 4.297 4.527 -0.003 0.000 0.299 303 F C 2.311 178.101 175.800 -0.017 0.000 1.097 303 F CA 0.614 58.573 58.000 -0.068 0.000 1.264 303 F CB -0.321 38.570 39.000 -0.182 0.000 1.001 303 F HN -0.211 nan 8.300 nan 0.000 0.479 304 V N -0.027 120.002 119.914 0.192 0.000 2.343 304 V HA -0.321 3.798 4.120 -0.003 0.000 0.247 304 V C 2.499 178.663 176.094 0.117 0.000 1.051 304 V CA 1.776 64.177 62.300 0.169 0.000 1.036 304 V CB -1.197 30.764 31.823 0.229 0.000 0.654 304 V HN 0.376 nan 8.190 nan 0.000 0.451 305 A N -0.320 122.554 122.820 0.090 0.000 1.873 305 A HA -0.235 4.083 4.320 -0.003 0.000 0.215 305 A C 2.183 179.799 177.584 0.055 0.000 1.186 305 A CA 1.905 53.975 52.037 0.055 0.000 0.616 305 A CB -0.445 18.574 19.000 0.031 0.000 0.823 305 A HN 0.608 nan 8.150 nan 0.000 0.442 306 E N -0.799 119.440 120.200 0.066 0.000 2.072 306 E HA -0.059 4.290 4.350 -0.003 0.000 0.191 306 E C 1.773 178.437 176.600 0.107 0.000 0.985 306 E CA 1.450 57.896 56.400 0.076 0.000 0.801 306 E CB 0.011 29.760 29.700 0.082 0.000 0.750 306 E HN 0.549 nan 8.360 nan 0.000 0.452 307 S N -2.469 113.315 115.700 0.139 0.000 2.663 307 S HA 0.279 4.747 4.470 -0.003 0.000 0.247 307 S C 1.132 175.821 174.600 0.148 0.000 1.074 307 S CA 0.234 58.531 58.200 0.161 0.000 0.955 307 S CB 1.558 64.883 63.200 0.207 0.000 0.901 307 S HN 0.445 nan 8.310 nan 0.000 0.505 308 G N 1.448 110.325 108.800 0.130 0.000 3.586 308 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.212 308 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.212 308 G C 0.365 175.357 174.900 0.155 0.000 1.411 308 G CA -0.223 44.933 45.100 0.094 0.000 0.898 308 G HN 0.910 nan 8.290 nan 0.000 0.575 309 G N 0.695 109.634 108.800 0.232 0.000 2.353 309 G HA2 0.803 4.762 3.960 -0.003 0.000 0.284 309 G HA3 0.803 4.762 3.960 -0.003 0.000 0.284 309 G C -0.189 174.994 174.900 0.472 0.000 1.172 309 G CA 0.989 46.284 45.100 0.325 0.000 0.854 309 G HN 1.893 nan 8.290 nan 0.000 0.485 310 A N 2.167 125.256 122.820 0.448 0.000 2.589 310 A HA 0.805 5.124 4.320 -0.003 0.000 0.296 310 A C -0.950 176.878 177.584 0.407 0.000 1.062 310 A CA -0.682 51.521 52.037 0.277 0.000 0.686 310 A CB 1.930 20.823 19.000 -0.178 0.000 1.282 310 A HN 0.762 nan 8.150 nan 0.000 0.404 311 E N 0.922 121.288 120.200 0.276 0.000 2.304 311 E HA 0.633 4.981 4.350 -0.003 0.000 0.277 311 E C -0.968 175.728 176.600 0.160 0.000 0.898 311 E CA -0.585 56.014 56.400 0.332 0.000 0.764 311 E CB 1.929 31.848 29.700 0.365 0.000 1.216 311 E HN 1.289 nan 8.360 nan 0.000 0.419 312 A N 5.056 128.108 122.820 0.386 0.000 2.317 312 A HA 0.698 5.016 4.320 -0.003 0.000 0.327 312 A C -0.749 176.995 177.584 0.267 0.000 1.178 312 A CA -0.623 51.623 52.037 0.348 0.000 0.817 312 A CB 0.606 20.028 19.000 0.703 0.000 1.189 312 A HN 0.617 nan 8.150 nan 0.000 0.489 313 I N 1.928 122.604 120.570 0.176 0.000 2.410 313 I HA 0.269 4.438 4.170 -0.003 0.000 0.286 313 I C -1.325 174.916 176.117 0.206 0.000 1.009 313 I CA -0.138 61.224 61.300 0.104 0.000 1.111 313 I CB 1.544 39.532 38.000 -0.020 0.000 1.262 313 I HN 0.787 nan 8.210 nan 0.000 0.443 314 W N 9.023 130.288 121.300 -0.058 0.000 2.391 314 W HA 0.452 5.110 4.660 -0.002 0.000 0.312 314 W C -1.267 175.192 176.519 -0.100 0.000 1.003 314 W CA -1.410 55.949 57.345 0.024 0.000 1.375 314 W CB 0.372 29.925 29.460 0.154 0.000 1.253 314 W HN 0.300 nan 8.180 nan 0.000 0.416 315 Y N 7.065 127.483 120.300 0.197 0.000 2.480 315 Y HA 0.193 4.741 4.550 -0.002 0.000 0.338 315 Y C -1.129 174.617 175.900 -0.258 0.000 1.220 315 Y CA -1.488 56.611 58.100 -0.001 0.000 1.430 315 Y CB 0.153 38.671 38.460 0.097 0.000 1.311 315 Y HN 0.240 nan 8.280 nan 0.000 0.575 316 P HA -0.009 nan 4.420 nan 0.000 0.271 316 P C -0.603 176.639 177.300 -0.096 0.000 1.216 316 P CA 0.142 63.060 63.100 -0.304 0.000 0.771 316 P CB 0.182 31.788 31.700 -0.155 0.000 0.864 317 F N -1.350 118.541 119.950 -0.099 0.000 3.074 317 F HA -0.225 4.301 4.527 -0.002 0.000 0.289 317 F C 0.861 176.704 175.800 0.071 0.000 0.863 317 F CA 1.074 59.083 58.000 0.015 0.000 1.121 317 F CB -2.607 36.419 39.000 0.044 0.000 1.169 317 F HN 0.397 nan 8.300 nan 0.000 0.570 318 T N -4.090 110.580 114.554 0.193 0.000 2.930 318 T HA 0.559 4.907 4.350 -0.003 0.000 0.290 318 T C 0.789 175.736 174.700 0.412 0.000 1.052 318 T CA -0.813 61.429 62.100 0.237 0.000 1.017 318 T CB 2.551 71.538 68.868 0.198 0.000 1.137 318 T HN 0.027 nan 8.240 nan 0.000 0.511 319 E N 0.593 120.942 120.200 0.249 0.000 2.250 319 E HA 0.154 4.502 4.350 -0.003 0.000 0.192 319 E C -0.053 176.714 176.600 0.278 0.000 0.986 319 E CA 0.731 57.328 56.400 0.328 0.000 0.849 319 E CB 0.258 30.040 29.700 0.136 0.000 0.797 319 E HN 0.615 nan 8.360 nan 0.000 0.482 320 K N 1.112 121.568 120.400 0.093 0.000 2.545 320 K HA 0.363 4.681 4.320 -0.003 0.000 0.252 320 K C -2.734 174.015 176.600 0.248 0.000 0.948 320 K CA -1.971 54.362 56.287 0.077 0.000 0.827 320 K CB 2.432 34.950 32.500 0.030 0.000 1.128 320 K HN -0.176 nan 8.250 nan 0.000 0.429 321 P HA -0.011 nan 4.420 nan 0.000 0.273 321 P C -1.036 176.549 177.300 0.475 0.000 1.250 321 P CA -0.436 62.891 63.100 0.378 0.000 0.793 321 P CB 0.412 32.222 31.700 0.183 0.000 1.011 322 W N 3.444 124.903 121.300 0.265 0.000 2.357 322 W HA 0.506 5.165 4.660 -0.002 0.000 0.317 322 W C -1.210 175.351 176.519 0.071 0.000 1.101 322 W CA -1.007 56.423 57.345 0.142 0.000 1.380 322 W CB -0.288 29.248 29.460 0.127 0.000 1.266 322 W HN 0.141 nan 8.180 nan 0.000 0.419 323 M N 6.646 126.399 119.600 0.256 0.000 2.180 323 M HA 0.392 4.870 4.480 -0.003 0.000 0.350 323 M C -1.000 175.198 176.300 -0.170 0.000 1.125 323 M CA -0.054 55.233 55.300 -0.022 0.000 1.031 323 M CB 0.927 33.500 32.600 -0.046 0.000 1.623 323 M HN 0.334 nan 8.290 nan 0.000 0.451 324 K N 3.838 123.982 120.400 -0.428 0.000 2.244 324 K HA 0.752 5.071 4.320 -0.003 0.000 0.260 324 K C -1.530 174.697 176.600 -0.623 0.000 0.951 324 K CA -0.868 55.033 56.287 -0.644 0.000 0.826 324 K CB 2.024 33.904 32.500 -1.034 0.000 1.108 324 K HN 0.535 nan 8.250 nan 0.000 0.433 325 V N 3.035 122.599 119.914 -0.582 0.000 2.577 325 V HA 0.369 4.487 4.120 -0.003 0.000 0.303 325 V C -0.891 175.074 176.094 -0.214 0.000 1.042 325 V CA -1.011 61.109 62.300 -0.300 0.000 0.872 325 V CB 1.478 33.156 31.823 -0.242 0.000 0.998 325 V HN 0.726 nan 8.190 nan 0.000 0.423 326 W N 2.300 123.617 121.300 0.029 0.000 2.478 326 W HA 0.611 5.269 4.660 -0.003 0.000 0.318 326 W C -0.273 176.314 176.519 0.114 0.000 1.062 326 W CA -0.461 56.933 57.345 0.082 0.000 1.210 326 W CB 2.326 31.847 29.460 0.102 0.000 1.325 326 W HN 0.396 nan 8.180 nan 0.000 0.496 327 T N 2.038 116.794 114.554 0.336 0.000 2.841 327 T HA 0.279 4.627 4.350 -0.003 0.000 0.285 327 T C -0.259 174.612 174.700 0.285 0.000 0.991 327 T CA -0.570 61.690 62.100 0.267 0.000 0.966 327 T CB 2.078 71.075 68.868 0.214 0.000 0.962 327 T HN -0.003 nan 8.240 nan 0.000 0.438 328 V N 3.459 123.524 119.914 0.252 0.000 2.614 328 V HA 0.240 4.358 4.120 -0.003 0.000 0.291 328 V C 0.934 177.176 176.094 0.247 0.000 1.049 328 V CA -0.176 62.284 62.300 0.266 0.000 1.038 328 V CB 1.253 33.175 31.823 0.164 0.000 0.980 328 V HN 1.016 nan 8.190 nan 0.000 0.481 351 K N 2.139 122.086 120.400 -0.754 0.000 2.322 351 K HA 0.456 4.774 4.320 -0.003 0.000 0.283 351 K C -1.982 174.215 176.600 -0.672 0.000 1.042 351 K CA -1.331 54.105 56.287 -1.418 0.000 0.958 351 K CB 0.805 32.304 32.500 -1.668 0.000 0.984 351 K HN 0.124 nan 8.250 nan 0.000 0.473 352 P HA 0.016 nan 4.420 nan 0.000 0.264 352 P C -2.313 174.847 177.300 -0.233 0.000 1.193 352 P CA -1.122 61.827 63.100 -0.252 0.000 0.763 352 P CB 0.449 32.065 31.700 -0.141 0.000 0.810 353 P HA -0.216 nan 4.420 nan 0.000 0.217 353 P C 0.979 178.219 177.300 -0.100 0.000 1.151 353 P CA 1.660 64.685 63.100 -0.124 0.000 0.849 353 P CB -0.017 31.634 31.700 -0.081 0.000 0.787 354 Q N -1.141 118.612 119.800 -0.078 0.000 2.389 354 Q HA 0.199 4.537 4.340 -0.003 0.000 0.204 354 Q C 0.908 176.880 176.000 -0.047 0.000 0.944 354 Q CA 0.320 56.093 55.803 -0.050 0.000 0.908 354 Q CB -0.354 28.366 28.738 -0.029 0.000 1.002 354 Q HN 0.147 nan 8.270 nan 0.000 0.493 355 A N 1.270 124.050 122.820 -0.067 0.000 2.340 355 A HA 0.420 4.738 4.320 -0.003 0.000 0.268 355 A C -0.400 177.174 177.584 -0.017 0.000 1.100 355 A CA -0.506 51.516 52.037 -0.026 0.000 0.803 355 A CB 0.414 19.412 19.000 -0.003 0.000 1.043 355 A HN 0.225 nan 8.150 nan 0.000 0.488 356 R N 1.730 122.250 120.500 0.033 0.000 2.221 356 R HA 0.227 4.565 4.340 -0.003 0.000 0.327 356 R C -0.063 176.301 176.300 0.108 0.000 1.033 356 R CA -0.241 55.886 56.100 0.045 0.000 0.887 356 R CB 0.486 30.809 30.300 0.040 0.000 1.057 356 R HN 0.848 nan 8.270 nan 0.000 0.455 357 E N 4.132 124.404 120.200 0.120 0.000 2.344 357 E HA 0.113 4.462 4.350 -0.003 0.000 0.270 357 E C -0.603 176.067 176.600 0.116 0.000 1.021 357 E CA -0.519 56.009 56.400 0.214 0.000 0.887 357 E CB 0.878 30.707 29.700 0.216 0.000 0.997 357 E HN 0.450 nan 8.360 nan 0.000 0.429 358 V N 1.557 121.523 119.914 0.086 0.000 2.881 358 V HA 0.506 4.624 4.120 -0.003 0.000 0.316 358 V C 0.348 176.448 176.094 0.011 0.000 1.070 358 V CA -0.018 62.301 62.300 0.032 0.000 0.976 358 V CB 1.750 33.576 31.823 0.004 0.000 1.038 358 V HN 0.697 nan 8.190 nan 0.000 0.446 359 S N 0.128 115.842 115.700 0.023 0.000 2.701 359 S HA 0.670 5.138 4.470 -0.003 0.000 0.242 359 S C 0.491 175.118 174.600 0.045 0.000 1.025 359 S CA 0.212 58.437 58.200 0.041 0.000 1.016 359 S CB 0.026 63.257 63.200 0.052 0.000 0.977 359 S HN 1.819 nan 8.310 nan 0.000 0.546 360 G N 1.598 110.412 108.800 0.024 0.000 2.649 360 G HA2 0.669 4.628 3.960 -0.003 0.000 0.290 360 G HA3 0.669 4.628 3.960 -0.003 0.000 0.290 360 G C -3.523 171.363 174.900 -0.023 0.000 1.426 360 G CA -1.419 43.694 45.100 0.020 0.000 0.794 360 G HN 0.069 nan 8.290 nan 0.000 0.483 361 P HA 0.321 nan 4.420 nan 0.000 0.282 361 P C -0.962 176.223 177.300 -0.192 0.000 1.287 361 P CA -0.225 62.717 63.100 -0.265 0.000 0.792 361 P CB 0.372 31.728 31.700 -0.573 0.000 1.163 362 Y N -2.205 118.147 120.300 0.087 0.000 3.038 362 Y HA -0.154 4.395 4.550 -0.003 0.000 0.176 362 Y C 1.021 176.887 175.900 -0.056 0.000 1.628 362 Y CA -0.078 58.053 58.100 0.052 0.000 1.020 362 Y CB -3.022 35.469 38.460 0.051 0.000 1.423 362 Y HN 0.360 nan 8.280 nan 0.000 0.418 363 N N -0.027 118.579 118.700 -0.156 0.000 2.270 363 N HA 0.052 4.790 4.740 -0.003 0.000 0.198 363 N C -0.515 174.760 175.510 -0.392 0.000 1.117 363 N CA 0.346 53.224 53.050 -0.288 0.000 0.845 363 N CB 0.227 38.502 38.487 -0.353 0.000 0.980 363 N HN 0.538 nan 8.380 nan 0.000 0.486 364 Y N 0.935 121.247 120.300 0.020 0.000 2.931 364 Y HA 0.284 4.832 4.550 -0.003 0.000 0.330 364 Y C 1.361 176.963 175.900 -0.496 0.000 1.115 364 Y CA -0.794 57.093 58.100 -0.354 0.000 1.283 364 Y CB 0.479 38.744 38.460 -0.324 0.000 1.215 364 Y HN -0.136 nan 8.280 nan 0.000 0.534 365 I N 1.095 121.565 120.570 -0.167 0.000 2.394 365 I HA -0.289 3.880 4.170 -0.003 0.000 0.251 365 I C 2.121 178.210 176.117 -0.047 0.000 1.136 365 I CA 1.232 62.505 61.300 -0.045 0.000 1.425 365 I CB -1.123 36.910 38.000 0.056 0.000 1.079 365 I HN 0.578 nan 8.210 nan 0.000 0.425 366 F N 1.490 121.515 119.950 0.125 0.000 2.408 366 F HA -0.084 4.442 4.527 -0.003 0.000 0.300 366 F C 2.303 178.174 175.800 0.118 0.000 1.090 366 F CA 0.927 58.973 58.000 0.076 0.000 1.427 366 F CB -1.439 37.559 39.000 -0.004 0.000 1.070 366 F HN 0.102 nan 8.300 nan 0.000 0.549 367 S N -1.471 114.113 115.700 -0.194 0.000 2.502 367 S HA 0.030 4.499 4.470 -0.003 0.000 0.215 367 S C 1.236 175.918 174.600 0.138 0.000 1.009 367 S CA 0.179 58.439 58.200 0.100 0.000 0.908 367 S CB -0.351 62.954 63.200 0.175 0.000 0.801 367 S HN 0.320 nan 8.310 nan 0.000 0.505 368 D N 2.301 122.746 120.400 0.075 0.000 2.348 368 D HA 0.169 4.807 4.640 -0.003 0.000 0.211 368 D C -0.189 176.155 176.300 0.073 0.000 0.998 368 D CA 0.420 54.467 54.000 0.079 0.000 0.873 368 D CB 0.019 40.845 40.800 0.043 0.000 0.925 368 D HN 0.509 nan 8.370 nan 0.000 0.524 369 N N 0.638 119.388 118.700 0.082 0.000 2.397 369 N HA 0.297 5.035 4.740 -0.003 0.000 0.291 369 N C -0.939 174.632 175.510 0.102 0.000 1.065 369 N CA -0.331 52.765 53.050 0.078 0.000 0.884 369 N CB 2.760 41.284 38.487 0.061 0.000 1.551 369 N HN -0.093 nan 8.380 nan 0.000 0.487 370 L N 2.413 123.693 121.223 0.095 0.000 2.334 370 L HA 0.597 4.936 4.340 -0.003 0.000 0.276 370 L C -1.771 175.145 176.870 0.076 0.000 1.014 370 L CA -1.542 53.359 54.840 0.103 0.000 0.815 370 L CB 1.671 43.803 42.059 0.123 0.000 1.268 370 L HN 0.318 nan 8.230 nan 0.000 0.428 371 P HA 0.164 nan 4.420 nan 0.000 0.282 371 P C 0.204 177.531 177.300 0.044 0.000 1.287 371 P CA -0.513 62.616 63.100 0.049 0.000 0.792 371 P CB 1.202 32.927 31.700 0.042 0.000 1.163 372 E N -0.074 120.145 120.200 0.031 0.000 2.051 372 E HA -0.126 4.223 4.350 -0.003 0.000 0.192 372 E C -0.818 175.797 176.600 0.025 0.000 0.991 372 E CA 1.391 57.804 56.400 0.023 0.000 0.799 372 E CB -1.307 28.401 29.700 0.013 0.000 0.748 372 E HN 0.332 nan 8.360 nan 0.000 0.449 373 P HA -0.163 nan 4.420 nan 0.000 0.218 373 P C 1.159 178.490 177.300 0.052 0.000 1.148 373 P CA 1.044 64.162 63.100 0.029 0.000 0.822 373 P CB 0.038 31.753 31.700 0.025 0.000 0.784 374 I N -0.615 120.000 120.570 0.076 0.000 2.277 374 I HA -0.118 4.050 4.170 -0.003 0.000 0.243 374 I C 2.176 178.356 176.117 0.106 0.000 1.094 374 I CA 2.151 63.534 61.300 0.139 0.000 1.393 374 I CB -2.050 36.047 38.000 0.161 0.000 1.078 374 I HN 0.112 nan 8.210 nan 0.000 0.417 375 T N -1.661 112.934 114.554 0.067 0.000 2.915 375 T HA -0.137 4.212 4.350 -0.003 0.000 0.269 375 T C 1.470 176.165 174.700 -0.008 0.000 1.071 375 T CA 1.153 63.272 62.100 0.031 0.000 1.132 375 T CB -0.304 68.580 68.868 0.027 0.000 0.878 375 T HN 0.138 nan 8.240 nan 0.000 0.479 376 D N 1.106 121.504 120.400 -0.004 0.000 2.117 376 D HA 0.064 4.703 4.640 -0.003 0.000 0.198 376 D C 2.106 178.374 176.300 -0.053 0.000 0.982 376 D CA 0.961 54.946 54.000 -0.024 0.000 0.828 376 D CB -0.334 40.458 40.800 -0.013 0.000 0.967 376 D HN 0.405 nan 8.370 nan 0.000 0.464 377 M N -0.045 119.525 119.600 -0.050 0.000 2.086 377 M HA -0.115 4.364 4.480 -0.003 0.000 0.261 377 M C 2.241 178.389 176.300 -0.254 0.000 1.067 377 M CA 1.129 56.359 55.300 -0.118 0.000 1.116 377 M CB -0.193 32.382 32.600 -0.043 0.000 1.348 377 M HN -0.006 nan 8.290 nan 0.000 0.407 378 I N -0.238 120.171 120.570 -0.269 0.000 2.226 378 I HA -0.199 3.969 4.170 -0.003 0.000 0.245 378 I C 2.590 178.599 176.117 -0.179 0.000 1.100 378 I CA 1.408 62.524 61.300 -0.306 0.000 1.374 378 I CB -0.939 36.956 38.000 -0.176 0.000 1.057 378 I HN 0.372 nan 8.210 nan 0.000 0.413 379 G N 0.445 109.176 108.800 -0.115 0.000 2.418 379 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.217 379 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.217 379 G C 1.845 176.691 174.900 -0.091 0.000 1.158 379 G CA 0.839 45.889 45.100 -0.084 0.000 0.771 379 G HN 0.495 nan 8.290 nan 0.000 0.545 380 A N 0.577 123.335 122.820 -0.103 0.000 1.929 380 A HA 0.141 4.459 4.320 -0.003 0.000 0.216 380 A C 2.383 179.897 177.584 -0.117 0.000 1.176 380 A CA 1.043 53.021 52.037 -0.099 0.000 0.628 380 A CB -0.298 18.645 19.000 -0.095 0.000 0.816 380 A HN 0.364 nan 8.150 nan 0.000 0.444 381 I N 0.279 120.752 120.570 -0.162 0.000 2.163 381 I HA -0.292 3.877 4.170 -0.003 0.000 0.243 381 I C 2.006 178.051 176.117 -0.119 0.000 1.085 381 I CA 1.309 62.511 61.300 -0.164 0.000 1.347 381 I CB -0.427 37.425 38.000 -0.245 0.000 1.044 381 I HN 0.298 nan 8.210 nan 0.000 0.408 382 N N 0.965 119.598 118.700 -0.111 0.000 2.289 382 N HA -0.094 4.645 4.740 -0.003 0.000 0.184 382 N C 1.580 177.053 175.510 -0.063 0.000 1.016 382 N CA 1.371 54.373 53.050 -0.079 0.000 0.872 382 N CB -0.216 38.230 38.487 -0.069 0.000 0.973 382 N HN 0.348 nan 8.380 nan 0.000 0.433 383 A N -0.332 122.449 122.820 -0.065 0.000 2.238 383 A HA 0.418 4.737 4.320 -0.003 0.000 0.208 383 A C 1.258 178.812 177.584 -0.050 0.000 1.177 383 A CA 0.707 52.713 52.037 -0.052 0.000 0.804 383 A CB -0.187 18.782 19.000 -0.051 0.000 0.823 383 A HN 0.292 nan 8.150 nan 0.000 0.482 384 G N -0.494 108.272 108.800 -0.057 0.000 2.151 384 G HA2 -0.151 3.808 3.960 -0.003 0.000 0.156 384 G HA3 -0.151 3.808 3.960 -0.003 0.000 0.156 384 G C -0.390 174.476 174.900 -0.056 0.000 1.017 384 G CA -0.114 44.956 45.100 -0.050 0.000 0.686 384 G HN 0.391 nan 8.290 nan 0.000 0.503 385 N N 1.056 119.711 118.700 -0.076 0.000 2.990 385 N HA 0.244 4.982 4.740 -0.003 0.000 0.288 385 N C -1.766 173.671 175.510 -0.122 0.000 1.624 385 N CA -0.965 52.029 53.050 -0.094 0.000 0.961 385 N CB 1.888 40.314 38.487 -0.102 0.000 1.259 385 N HN 0.204 nan 8.380 nan 0.000 0.489 386 P HA -0.058 nan 4.420 nan 0.000 0.223 386 P C 1.422 178.581 177.300 -0.235 0.000 1.151 386 P CA 0.741 63.792 63.100 -0.081 0.000 0.787 386 P CB 0.215 31.930 31.700 0.024 0.000 0.788 387 G N 0.317 108.895 108.800 -0.369 0.000 2.586 387 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.215 387 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.215 387 G C 1.423 175.908 174.900 -0.691 0.000 1.128 387 G CA -0.016 44.562 45.100 -0.869 0.000 0.774 387 G HN 0.277 nan 8.290 nan 0.000 0.543 388 I N 0.962 121.304 120.570 -0.381 0.000 3.001 388 I HA -0.095 4.073 4.170 -0.003 0.000 0.268 388 I C 3.054 179.074 176.117 -0.162 0.000 1.267 388 I CA 0.372 61.527 61.300 -0.241 0.000 1.472 388 I CB -0.048 37.852 38.000 -0.167 0.000 1.089 388 I HN 0.231 nan 8.210 nan 0.000 0.468 389 A N 2.216 124.922 122.820 -0.190 0.000 1.903 389 A HA -0.164 4.155 4.320 -0.003 0.000 0.219 389 A C -0.094 177.569 177.584 0.131 0.000 1.191 389 A CA 1.903 54.004 52.037 0.106 0.000 0.638 389 A CB -1.975 17.197 19.000 0.286 0.000 0.823 389 A HN 0.294 nan 8.150 nan 0.000 0.451 390 P HA -0.025 nan 4.420 nan 0.000 0.230 390 P C 1.136 178.395 177.300 -0.068 0.000 1.158 390 P CA 0.720 63.621 63.100 -0.332 0.000 0.769 390 P CB -0.078 31.196 31.700 -0.710 0.000 0.807 391 L N -2.880 118.321 121.223 -0.038 0.000 2.253 391 L HA 0.066 4.405 4.340 -0.003 0.000 0.205 391 L C 2.312 179.256 176.870 0.123 0.000 1.078 391 L CA 0.575 55.431 54.840 0.026 0.000 0.805 391 L CB -0.741 41.313 42.059 -0.008 0.000 0.963 391 L HN -0.125 nan 8.230 nan 0.000 0.459 392 F N 1.340 121.289 119.950 -0.001 0.000 2.146 392 F HA -0.009 4.516 4.527 -0.003 0.000 0.298 392 F C 2.167 177.998 175.800 0.051 0.000 1.096 392 F CA 1.249 59.262 58.000 0.021 0.000 1.275 392 F CB -0.721 38.297 39.000 0.030 0.000 1.008 392 F HN -0.041 nan 8.300 nan 0.000 0.480 393 G N 0.760 109.577 108.800 0.029 0.000 2.480 393 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.216 393 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.216 393 G C -0.613 174.269 174.900 -0.030 0.000 1.200 393 G CA 0.994 46.086 45.100 -0.014 0.000 0.782 393 G HN 0.287 nan 8.290 nan 0.000 0.554 394 P HA -0.062 nan 4.420 nan 0.000 0.216 394 P C 2.166 179.488 177.300 0.037 0.000 1.150 394 P CA 2.011 65.162 63.100 0.084 0.000 0.837 394 P CB -0.154 31.595 31.700 0.082 0.000 0.786 395 A N -1.025 121.775 122.820 -0.033 0.000 1.902 395 A HA -0.193 4.126 4.320 -0.003 0.000 0.217 395 A C 2.126 179.599 177.584 -0.184 0.000 1.181 395 A CA 1.786 53.788 52.037 -0.059 0.000 0.623 395 A CB -1.357 17.647 19.000 0.007 0.000 0.818 395 A HN 0.043 nan 8.150 nan 0.000 0.443 396 M N -1.941 117.414 119.600 -0.409 0.000 2.175 396 M HA -0.085 4.393 4.480 -0.003 0.000 0.264 396 M C 2.170 178.104 176.300 -0.611 0.000 1.063 396 M CA 1.374 56.272 55.300 -0.670 0.000 1.119 396 M CB -1.354 30.481 32.600 -1.276 0.000 1.377 396 M HN 0.668 nan 8.290 nan 0.000 0.415 397 Y N 1.816 121.813 120.300 -0.505 0.000 2.181 397 Y HA -0.208 4.340 4.550 -0.003 0.000 0.288 397 Y C 2.197 177.991 175.900 -0.177 0.000 1.146 397 Y CA 1.732 59.730 58.100 -0.170 0.000 1.164 397 Y CB -0.072 38.416 38.460 0.047 0.000 0.982 397 Y HN 0.199 nan 8.280 nan 0.000 0.515 398 E N 0.298 120.407 120.200 -0.152 0.000 2.106 398 E HA -0.197 4.152 4.350 -0.003 0.000 0.192 398 E C 2.241 178.648 176.600 -0.322 0.000 0.984 398 E CA 1.272 57.540 56.400 -0.220 0.000 0.806 398 E CB -0.551 29.122 29.700 -0.044 0.000 0.750 398 E HN 0.625 nan 8.360 nan 0.000 0.458 399 I N 1.166 121.567 120.570 -0.281 0.000 2.264 399 I HA -0.257 3.911 4.170 -0.003 0.000 0.248 399 I C 2.033 177.832 176.117 -0.529 0.000 1.111 399 I CA 1.429 62.565 61.300 -0.274 0.000 1.382 399 I CB -0.152 37.771 38.000 -0.127 0.000 1.060 399 I HN -0.007 nan 8.210 nan 0.000 0.418 400 T N 0.453 114.618 114.554 -0.649 0.000 2.701 400 T HA -0.209 4.139 4.350 -0.003 0.000 0.263 400 T C 1.927 175.923 174.700 -1.172 0.000 1.040 400 T CA 1.697 63.136 62.100 -1.101 0.000 1.147 400 T CB -0.267 68.155 68.868 -0.742 0.000 0.865 400 T HN 0.339 nan 8.240 nan 0.000 0.426 401 K N 0.760 120.616 120.400 -0.906 0.000 2.009 401 K HA -0.056 4.262 4.320 -0.003 0.000 0.210 401 K C 2.270 178.551 176.600 -0.532 0.000 1.049 401 K CA 1.282 57.139 56.287 -0.716 0.000 0.929 401 K CB -0.327 31.751 32.500 -0.704 0.000 0.714 401 K HN 0.270 nan 8.250 nan 0.000 0.440 402 L N -0.117 120.831 121.223 -0.458 0.000 2.093 402 L HA -0.066 4.272 4.340 -0.003 0.000 0.208 402 L C 2.612 179.288 176.870 -0.323 0.000 1.085 402 L CA 1.244 55.900 54.840 -0.307 0.000 0.755 402 L CB -0.643 41.287 42.059 -0.216 0.000 0.904 402 L HN 0.454 nan 8.230 nan 0.000 0.435 403 G N 0.088 108.585 108.800 -0.505 0.000 2.402 403 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.216 403 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.216 403 G C 1.647 176.346 174.900 -0.335 0.000 1.162 403 G CA 0.364 45.207 45.100 -0.428 0.000 0.777 403 G HN 0.186 nan 8.290 nan 0.000 0.539 404 L N 0.692 121.533 121.223 -0.637 0.000 2.042 404 L HA -0.113 4.226 4.340 -0.003 0.000 0.210 404 L C 3.400 180.198 176.870 -0.120 0.000 1.076 404 L CA 1.232 55.921 54.840 -0.251 0.000 0.749 404 L CB -0.344 41.477 42.059 -0.396 0.000 0.893 404 L HN 0.313 nan 8.230 nan 0.000 0.432 405 A N -0.319 122.395 122.820 -0.177 0.000 1.873 405 A HA -0.106 4.212 4.320 -0.003 0.000 0.215 405 A C 2.505 180.055 177.584 -0.056 0.000 1.186 405 A CA 1.540 53.515 52.037 -0.104 0.000 0.616 405 A CB -0.731 18.198 19.000 -0.118 0.000 0.823 405 A HN 0.389 nan 8.150 nan 0.000 0.442 406 A N -0.364 122.420 122.820 -0.059 0.000 1.933 406 A HA -0.071 4.248 4.320 -0.003 0.000 0.218 406 A C 2.236 179.829 177.584 0.017 0.000 1.175 406 A CA 2.320 54.345 52.037 -0.020 0.000 0.628 406 A CB -1.078 17.910 19.000 -0.020 0.000 0.814 406 A HN 0.800 nan 8.150 nan 0.000 0.444 407 T N -3.801 110.782 114.554 0.049 0.000 3.086 407 T HA 0.134 4.483 4.350 -0.003 0.000 0.250 407 T C 0.506 175.248 174.700 0.070 0.000 1.074 407 T CA 0.437 62.586 62.100 0.081 0.000 0.988 407 T CB -0.688 68.270 68.868 0.150 0.000 0.988 407 T HN 0.601 nan 8.240 nan 0.000 0.530 408 N N 0.547 119.274 118.700 0.044 0.000 2.725 408 N HA -0.233 4.506 4.740 -0.003 0.000 0.251 408 N C 0.455 176.001 175.510 0.060 0.000 1.031 408 N CA 0.317 53.387 53.050 0.033 0.000 0.720 408 N CB -1.137 37.363 38.487 0.023 0.000 0.930 408 N HN 0.690 nan 8.380 nan 0.000 0.543 409 A N 0.004 122.886 122.820 0.104 0.000 2.470 409 A HA 0.184 4.502 4.320 -0.003 0.000 0.251 409 A C 1.447 179.145 177.584 0.190 0.000 1.245 409 A CA -0.287 51.857 52.037 0.179 0.000 0.932 409 A CB 0.161 19.357 19.000 0.326 0.000 1.037 409 A HN 0.481 nan 8.150 nan 0.000 0.522 410 N N 0.757 119.495 118.700 0.063 0.000 2.459 410 N HA -0.071 4.667 4.740 -0.003 0.000 0.181 410 N C -0.625 174.852 175.510 -0.055 0.000 1.046 410 N CA 0.967 54.005 53.050 -0.020 0.000 0.904 410 N CB 0.233 38.664 38.487 -0.093 0.000 0.964 410 N HN 0.450 nan 8.380 nan 0.000 0.444 411 D N 0.395 120.790 120.400 -0.009 0.000 2.319 411 D HA 0.224 4.863 4.640 -0.003 0.000 0.237 411 D C -0.784 175.539 176.300 0.038 0.000 1.353 411 D CA -0.402 53.588 54.000 -0.015 0.000 0.992 411 D CB 0.420 41.200 40.800 -0.034 0.000 1.368 411 D HN 0.091 nan 8.370 nan 0.000 0.564 412 I N -0.958 119.651 120.570 0.064 0.000 2.957 412 I HA 0.921 5.090 4.170 -0.003 0.000 0.310 412 I C -1.305 174.929 176.117 0.195 0.000 1.063 412 I CA -1.056 60.305 61.300 0.103 0.000 1.033 412 I CB 2.566 40.597 38.000 0.053 0.000 1.230 412 I HN 0.310 nan 8.210 nan 0.000 0.447 413 W N 3.130 124.409 121.300 -0.034 0.000 3.425 413 W HA 0.734 5.392 4.660 -0.003 0.000 0.318 413 W C -0.908 175.563 176.519 -0.081 0.000 1.201 413 W CA -0.017 57.304 57.345 -0.041 0.000 1.212 413 W CB 1.864 31.295 29.460 -0.048 0.000 1.355 413 W HN 1.022 nan 8.180 nan 0.000 0.515 414 G N 2.129 110.527 108.800 -0.671 0.000 2.490 414 G HA2 0.289 4.248 3.960 -0.003 0.000 0.308 414 G HA3 0.289 4.248 3.960 -0.003 0.000 0.308 414 G C -1.763 172.626 174.900 -0.852 0.000 1.286 414 G CA -1.144 43.479 45.100 -0.794 0.000 0.825 414 G HN 0.554 nan 8.290 nan 0.000 0.479 415 W N 1.122 122.128 121.300 -0.490 0.000 2.148 415 W HA 0.306 4.965 4.660 -0.003 0.000 0.347 415 W C 2.209 178.452 176.519 -0.461 0.000 1.288 415 W CA 0.399 57.470 57.345 -0.456 0.000 1.252 415 W CB 0.931 30.188 29.460 -0.338 0.000 1.156 415 W HN 0.794 nan 8.180 nan 0.000 0.580 416 S N 1.090 116.590 115.700 -0.333 0.000 2.390 416 S HA -0.428 4.040 4.470 -0.003 0.000 0.234 416 S C 1.687 176.065 174.600 -0.371 0.000 1.063 416 S CA 2.056 59.933 58.200 -0.539 0.000 1.108 416 S CB -0.675 61.892 63.200 -1.056 0.000 0.975 416 S HN 0.686 nan 8.310 nan 0.000 0.442 417 K N 1.260 121.441 120.400 -0.364 0.000 2.148 417 K HA -0.107 4.212 4.320 -0.003 0.000 0.204 417 K C 1.261 177.691 176.600 -0.283 0.000 1.050 417 K CA 1.634 57.633 56.287 -0.480 0.000 0.942 417 K CB -0.375 31.922 32.500 -0.338 0.000 0.724 417 K HN 0.272 nan 8.250 nan 0.000 0.446 418 D N 1.132 121.450 120.400 -0.137 0.000 2.224 418 D HA -0.091 4.547 4.640 -0.003 0.000 0.205 418 D C 1.957 178.226 176.300 -0.052 0.000 0.965 418 D CA 1.486 55.439 54.000 -0.079 0.000 0.852 418 D CB 0.395 41.167 40.800 -0.048 0.000 0.947 418 D HN 0.340 nan 8.370 nan 0.000 0.494 419 V N -2.466 117.443 119.914 -0.009 0.000 3.565 419 V HA 0.143 4.262 4.120 -0.003 0.000 0.260 419 V C 1.716 178.057 176.094 0.411 0.000 1.231 419 V CA 0.338 62.742 62.300 0.173 0.000 1.100 419 V CB -0.023 31.933 31.823 0.220 0.000 0.807 419 V HN -0.071 nan 8.190 nan 0.000 0.454 420 Q N -0.124 119.749 119.800 0.122 0.000 2.376 420 Q HA 0.332 4.670 4.340 -0.003 0.000 0.206 420 Q C 0.039 176.118 176.000 0.133 0.000 0.921 420 Q CA 0.290 56.130 55.803 0.062 0.000 0.911 420 Q CB 0.326 28.876 28.738 -0.314 0.000 1.032 420 Q HN 0.675 nan 8.270 nan 0.000 0.510 421 F N 1.088 121.047 119.950 0.015 0.000 2.413 421 F HA 0.099 4.625 4.527 -0.002 0.000 0.359 421 F C 0.217 175.961 175.800 -0.093 0.000 1.122 421 F CA -0.780 57.121 58.000 -0.166 0.000 1.160 421 F CB 0.513 39.250 39.000 -0.438 0.000 1.146 421 F HN 0.132 nan 8.300 nan 0.000 0.514 422 Y N 1.648 122.148 120.300 0.333 0.000 2.729 422 Y HA 0.456 5.004 4.550 -0.003 0.000 0.266 422 Y C -0.661 175.545 175.900 0.510 0.000 1.064 422 Y CA -0.719 57.629 58.100 0.413 0.000 1.251 422 Y CB 0.002 38.747 38.460 0.475 0.000 1.379 422 Y HN 0.116 nan 8.280 nan 0.000 0.569 423 I N 2.831 123.550 120.570 0.249 0.000 2.382 423 I HA 0.353 4.521 4.170 -0.003 0.000 0.285 423 I C -0.315 175.843 176.117 0.068 0.000 1.007 423 I CA -0.963 60.441 61.300 0.173 0.000 1.142 423 I CB 1.532 39.539 38.000 0.012 0.000 1.289 423 I HN 0.115 nan 8.210 nan 0.000 0.453 424 K N 3.919 124.279 120.400 -0.067 0.000 2.126 424 K HA 0.503 4.822 4.320 -0.003 0.000 0.257 424 K C 1.089 177.637 176.600 -0.085 0.000 1.007 424 K CA -0.073 56.013 56.287 -0.335 0.000 0.928 424 K CB 1.368 33.660 32.500 -0.346 0.000 1.013 424 K HN 0.635 nan 8.250 nan 0.000 0.473 425 A N 1.315 124.080 122.820 -0.092 0.000 2.172 425 A HA -0.091 4.227 4.320 -0.003 0.000 0.216 425 A C 1.420 179.098 177.584 0.156 0.000 1.154 425 A CA 1.796 53.904 52.037 0.118 0.000 0.701 425 A CB -0.969 18.068 19.000 0.063 0.000 0.789 425 A HN 0.864 nan 8.150 nan 0.000 0.465 426 T N -3.306 111.273 114.554 0.042 0.000 3.148 426 T HA 0.101 4.449 4.350 -0.003 0.000 0.253 426 T C 0.847 175.594 174.700 0.078 0.000 1.134 426 T CA 0.715 62.831 62.100 0.026 0.000 1.051 426 T CB -0.731 68.133 68.868 -0.008 0.000 0.959 426 T HN 0.254 nan 8.240 nan 0.000 0.525 427 T N 2.173 116.829 114.554 0.169 0.000 2.900 427 T HA 0.313 4.662 4.350 -0.003 0.000 0.307 427 T C 0.146 174.981 174.700 0.225 0.000 1.065 427 T CA -0.766 61.469 62.100 0.226 0.000 1.105 427 T CB -0.025 69.019 68.868 0.294 0.000 0.979 427 T HN 0.374 nan 8.240 nan 0.000 0.544 428 L N 5.203 126.563 121.223 0.229 0.000 2.578 428 L HA 0.187 4.526 4.340 -0.003 0.000 0.279 428 L C 0.402 177.424 176.870 0.252 0.000 1.227 428 L CA 0.394 55.357 54.840 0.205 0.000 0.900 428 L CB 0.168 42.381 42.059 0.256 0.000 1.144 428 L HN 0.534 nan 8.230 nan 0.000 0.496 429 R N 6.799 127.361 120.500 0.104 0.000 2.296 429 R HA 0.421 4.759 4.340 -0.003 0.000 0.323 429 R C -0.681 175.787 176.300 0.281 0.000 1.067 429 R CA -0.027 56.112 56.100 0.065 0.000 0.946 429 R CB -0.251 29.895 30.300 -0.258 0.000 0.991 429 R HN 0.689 nan 8.270 nan 0.000 0.448 430 L N 0.360 121.902 121.223 0.532 0.000 2.257 430 L HA 0.574 4.913 4.340 -0.003 0.000 0.257 430 L C 0.376 177.654 176.870 0.680 0.000 1.033 430 L CA -0.904 54.239 54.840 0.505 0.000 0.835 430 L CB 2.295 44.624 42.059 0.449 0.000 1.398 430 L HN 0.382 nan 8.230 nan 0.000 0.429 431 T N -0.127 114.708 114.554 0.467 0.000 2.893 431 T HA 0.487 4.836 4.350 -0.003 0.000 0.291 431 T C -1.275 173.579 174.700 0.256 0.000 1.028 431 T CA -0.453 61.857 62.100 0.349 0.000 0.995 431 T CB 1.388 70.543 68.868 0.477 0.000 1.051 431 T HN 0.591 nan 8.240 nan 0.000 0.470 432 E N 1.541 121.713 120.200 -0.047 0.000 2.256 432 E HA 0.631 4.979 4.350 -0.003 0.000 0.267 432 E C -0.202 176.324 176.600 -0.124 0.000 0.892 432 E CA -1.163 55.171 56.400 -0.110 0.000 0.775 432 E CB 2.229 31.730 29.700 -0.332 0.000 1.207 432 E HN 0.754 nan 8.360 nan 0.000 0.420 433 G N 0.059 108.550 108.800 -0.515 0.000 3.211 433 G HA2 0.738 4.696 3.960 -0.003 0.000 0.262 433 G HA3 0.738 4.696 3.960 -0.003 0.000 0.262 433 G C 0.112 174.911 174.900 -0.167 0.000 1.352 433 G CA -0.102 44.721 45.100 -0.461 0.000 1.004 433 G HN 0.772 nan 8.290 nan 0.000 0.559 434 G N -1.794 106.986 108.800 -0.034 0.000 2.488 434 G HA2 0.514 4.472 3.960 -0.003 0.000 0.237 434 G HA3 0.514 4.472 3.960 -0.003 0.000 0.237 434 G C 0.517 175.538 174.900 0.201 0.000 1.209 434 G CA 0.742 45.864 45.100 0.037 0.000 0.929 434 G HN 2.627 nan 8.290 nan 0.000 0.578 435 G N -1.915 106.974 108.800 0.148 0.000 2.367 435 G HA2 0.712 4.671 3.960 -0.003 0.000 0.272 435 G HA3 0.712 4.671 3.960 -0.003 0.000 0.272 435 G C -0.475 174.380 174.900 -0.076 0.000 1.271 435 G CA 1.045 46.217 45.100 0.119 0.000 0.893 435 G HN 2.469 nan 8.290 nan 0.000 0.485 436 A N -0.891 121.691 122.820 -0.397 0.000 2.324 436 A HA 0.782 5.100 4.320 -0.003 0.000 0.330 436 A C -0.560 176.629 177.584 -0.658 0.000 1.165 436 A CA -0.527 51.070 52.037 -0.733 0.000 0.813 436 A CB 1.691 20.004 19.000 -1.145 0.000 1.197 436 A HN 1.506 nan 8.150 nan 0.000 0.484 437 V N 3.193 122.686 119.914 -0.702 0.000 2.357 437 V HA 0.319 4.437 4.120 -0.003 0.000 0.284 437 V C -0.255 175.436 176.094 -0.672 0.000 1.018 437 V CA -0.486 61.403 62.300 -0.684 0.000 0.841 437 V CB 1.404 32.702 31.823 -0.876 0.000 0.991 437 V HN 0.637 nan 8.190 nan 0.000 0.437 438 V N 4.847 124.376 119.914 -0.642 0.000 2.432 438 V HA 0.715 4.834 4.120 -0.003 0.000 0.275 438 V C 0.319 175.883 176.094 -0.884 0.000 1.043 438 V CA 0.303 62.251 62.300 -0.587 0.000 0.925 438 V CB 1.340 32.935 31.823 -0.380 0.000 0.985 438 V HN 1.023 nan 8.190 nan 0.000 0.466 439 T N 2.508 116.633 114.554 -0.715 0.000 2.661 439 T HA 0.396 4.745 4.350 -0.003 0.000 0.305 439 T C -0.486 173.998 174.700 -0.359 0.000 1.441 439 T CA 0.058 61.633 62.100 -0.874 0.000 0.999 439 T CB 1.725 70.208 68.868 -0.642 0.000 1.650 439 T HN 0.862 nan 8.240 nan 0.000 0.489 440 S N 0.717 116.299 115.700 -0.197 0.000 2.601 440 S HA 0.391 4.859 4.470 -0.003 0.000 0.271 440 S C 1.221 175.805 174.600 -0.028 0.000 1.305 440 S CA -0.459 57.748 58.200 0.011 0.000 1.022 440 S CB 1.229 64.492 63.200 0.104 0.000 0.940 440 S HN 0.858 nan 8.310 nan 0.000 0.525 441 R N 1.492 121.997 120.500 0.008 0.000 2.105 441 R HA -0.132 4.207 4.340 -0.003 0.000 0.239 441 R C 2.177 178.488 176.300 0.018 0.000 1.135 441 R CA 1.587 57.693 56.100 0.010 0.000 0.967 441 R CB -0.973 29.341 30.300 0.023 0.000 0.861 441 R HN 0.879 nan 8.270 nan 0.000 0.442 442 A N 0.102 122.936 122.820 0.023 0.000 2.121 442 A HA -0.126 4.193 4.320 -0.003 0.000 0.218 442 A C 1.685 179.281 177.584 0.020 0.000 1.154 442 A CA 1.281 53.334 52.037 0.027 0.000 0.679 442 A CB -0.569 18.450 19.000 0.032 0.000 0.795 442 A HN 0.553 nan 8.150 nan 0.000 0.458 443 N N -0.419 118.279 118.700 -0.003 0.000 2.270 443 N HA 0.127 4.865 4.740 -0.003 0.000 0.198 443 N C 1.208 176.704 175.510 -0.023 0.000 1.117 443 N CA -0.047 52.992 53.050 -0.018 0.000 0.845 443 N CB -0.030 38.420 38.487 -0.062 0.000 0.980 443 N HN 0.489 nan 8.380 nan 0.000 0.486 444 I N 1.093 121.657 120.570 -0.010 0.000 2.163 444 I HA -0.269 3.899 4.170 -0.003 0.000 0.243 444 I C 2.503 178.628 176.117 0.014 0.000 1.085 444 I CA 1.183 62.476 61.300 -0.013 0.000 1.347 444 I CB -0.260 37.765 38.000 0.043 0.000 1.044 444 I HN 0.151 nan 8.210 nan 0.000 0.408 445 A N 0.185 123.041 122.820 0.060 0.000 1.908 445 A HA -0.226 4.092 4.320 -0.003 0.000 0.218 445 A C 2.378 180.016 177.584 0.090 0.000 1.181 445 A CA 2.560 54.651 52.037 0.089 0.000 0.627 445 A CB -1.146 17.913 19.000 0.097 0.000 0.818 445 A HN 0.397 nan 8.150 nan 0.000 0.445 446 T N -0.375 114.227 114.554 0.080 0.000 2.708 446 T HA -0.122 4.227 4.350 -0.003 0.000 0.266 446 T C 1.890 176.686 174.700 0.160 0.000 1.037 446 T CA 1.594 63.758 62.100 0.108 0.000 1.146 446 T CB -0.450 68.467 68.868 0.081 0.000 0.865 446 T HN 0.156 nan 8.240 nan 0.000 0.435 447 V N 1.291 121.279 119.914 0.124 0.000 2.295 447 V HA -0.138 3.980 4.120 -0.003 0.000 0.246 447 V C 2.368 178.585 176.094 0.205 0.000 1.049 447 V CA 1.526 63.939 62.300 0.188 0.000 1.024 447 V CB -0.547 31.240 31.823 -0.059 0.000 0.648 447 V HN 0.486 nan 8.190 nan 0.000 0.447 448 I N 0.233 120.847 120.570 0.072 0.000 2.286 448 I HA -0.215 3.954 4.170 -0.003 0.000 0.245 448 I C 2.509 178.698 176.117 0.120 0.000 1.104 448 I CA 1.616 62.932 61.300 0.027 0.000 1.397 448 I CB -0.537 37.365 38.000 -0.163 0.000 1.072 448 I HN 0.436 nan 8.210 nan 0.000 0.417 449 N N 1.088 119.890 118.700 0.169 0.000 2.120 449 N HA -0.218 4.521 4.740 -0.003 0.000 0.188 449 N C 1.367 177.028 175.510 0.252 0.000 1.024 449 N CA 1.747 54.923 53.050 0.211 0.000 0.852 449 N CB -0.017 38.580 38.487 0.182 0.000 1.003 449 N HN 0.230 nan 8.380 nan 0.000 0.424 450 D N 0.170 120.749 120.400 0.298 0.000 2.097 450 D HA -0.138 4.500 4.640 -0.003 0.000 0.195 450 D C 1.591 178.157 176.300 0.445 0.000 0.989 450 D CA 0.703 54.914 54.000 0.352 0.000 0.827 450 D CB -0.606 40.434 40.800 0.400 0.000 0.966 450 D HN 0.301 nan 8.370 nan 0.000 0.456 451 F N 1.647 121.820 119.950 0.372 0.000 2.113 451 F HA -0.176 4.349 4.527 -0.003 0.000 0.297 451 F C 2.422 178.394 175.800 0.287 0.000 1.103 451 F CA 2.066 60.290 58.000 0.373 0.000 1.248 451 F CB -0.902 38.283 39.000 0.307 0.000 0.999 451 F HN 0.005 nan 8.300 nan 0.000 0.475 452 T N -2.292 112.236 114.554 -0.043 0.000 2.857 452 T HA -0.113 4.236 4.350 -0.003 0.000 0.266 452 T C 1.747 176.548 174.700 0.169 0.000 1.048 452 T CA 1.183 63.223 62.100 -0.100 0.000 1.139 452 T CB -0.488 68.294 68.868 -0.143 0.000 0.874 452 T HN 0.251 nan 8.240 nan 0.000 0.455 453 E N 0.335 120.698 120.200 0.271 0.000 2.072 453 E HA -0.087 4.262 4.350 -0.003 0.000 0.191 453 E C 1.673 178.373 176.600 0.167 0.000 0.985 453 E CA 0.943 57.535 56.400 0.319 0.000 0.801 453 E CB -0.453 29.419 29.700 0.287 0.000 0.750 453 E HN 0.784 nan 8.360 nan 0.000 0.452 454 W N 0.898 122.119 121.300 -0.132 0.000 2.355 454 W HA -0.224 4.435 4.660 -0.002 0.000 0.309 454 W C 2.178 178.505 176.519 -0.320 0.000 1.206 454 W CA 1.592 58.709 57.345 -0.379 0.000 1.284 454 W CB -0.665 28.240 29.460 -0.924 0.000 1.145 454 W HN 0.045 nan 8.180 nan 0.000 0.502 455 F N 0.237 119.998 119.950 -0.315 0.000 2.095 455 F HA -0.277 4.248 4.527 -0.003 0.000 0.298 455 F C 2.910 178.437 175.800 -0.455 0.000 1.104 455 F CA 2.657 60.388 58.000 -0.448 0.000 1.232 455 F CB -1.089 37.585 39.000 -0.544 0.000 0.987 455 F HN 0.042 nan 8.300 nan 0.000 0.475 456 H N -0.173 118.744 119.070 -0.256 0.000 2.353 456 H HA -0.173 4.381 4.556 -0.003 0.000 0.300 456 H C 2.268 177.399 175.328 -0.329 0.000 1.090 456 H CA 1.659 57.526 56.048 -0.301 0.000 1.327 456 H CB -0.218 29.481 29.762 -0.104 0.000 1.383 456 H HN 0.351 nan 8.280 nan 0.000 0.508 457 E N 0.977 120.974 120.200 -0.339 0.000 2.077 457 E HA -0.165 4.183 4.350 -0.003 0.000 0.193 457 E C 2.284 178.565 176.600 -0.532 0.000 0.989 457 E CA 0.657 56.823 56.400 -0.390 0.000 0.800 457 E CB 0.034 29.553 29.700 -0.302 0.000 0.746 457 E HN 0.415 nan 8.360 nan 0.000 0.452 458 R N 0.504 120.552 120.500 -0.753 0.000 2.066 458 R HA -0.041 4.297 4.340 -0.003 0.000 0.232 458 R C 2.593 178.568 176.300 -0.541 0.000 1.131 458 R CA 0.851 56.531 56.100 -0.700 0.000 0.955 458 R CB -0.975 28.830 30.300 -0.824 0.000 0.851 458 R HN 0.337 nan 8.270 nan 0.000 0.432 459 I N 1.453 121.534 120.570 -0.815 0.000 2.286 459 I HA -0.221 3.948 4.170 -0.003 0.000 0.248 459 I C 1.719 177.606 176.117 -0.383 0.000 1.115 459 I CA 1.428 62.294 61.300 -0.724 0.000 1.392 459 I CB 0.068 37.399 38.000 -1.115 0.000 1.065 459 I HN 0.087 nan 8.210 nan 0.000 0.418 460 E N 0.346 120.298 120.200 -0.413 0.000 2.107 460 E HA -0.235 4.113 4.350 -0.003 0.000 0.191 460 E C 1.937 178.411 176.600 -0.211 0.000 0.982 460 E CA 1.079 57.331 56.400 -0.247 0.000 0.809 460 E CB -0.519 28.980 29.700 -0.335 0.000 0.756 460 E HN 0.545 nan 8.360 nan 0.000 0.459 461 F N 0.815 120.509 119.950 -0.426 0.000 2.095 461 F HA -0.267 4.259 4.527 -0.002 0.000 0.298 461 F C 2.063 177.564 175.800 -0.498 0.000 1.104 461 F CA 1.532 59.247 58.000 -0.476 0.000 1.232 461 F CB -0.453 38.171 39.000 -0.626 0.000 0.987 461 F HN -0.027 nan 8.300 nan 0.000 0.475 462 Y N -0.047 120.097 120.300 -0.260 0.000 2.200 462 Y HA -0.171 4.378 4.550 -0.003 0.000 0.290 462 Y C 2.742 178.330 175.900 -0.520 0.000 1.137 462 Y CA 1.551 59.414 58.100 -0.395 0.000 1.163 462 Y CB -0.579 37.704 38.460 -0.295 0.000 0.988 462 Y HN -0.003 nan 8.280 nan 0.000 0.518 463 R N 0.783 121.077 120.500 -0.343 0.000 2.105 463 R HA -0.194 4.144 4.340 -0.003 0.000 0.239 463 R C 2.257 178.334 176.300 -0.372 0.000 1.135 463 R CA 1.377 57.181 56.100 -0.493 0.000 0.967 463 R CB -0.461 29.747 30.300 -0.154 0.000 0.861 463 R HN 0.287 nan 8.270 nan 0.000 0.442 464 A N 0.588 123.218 122.820 -0.316 0.000 2.070 464 A HA -0.109 4.210 4.320 -0.003 0.000 0.220 464 A C 1.598 179.001 177.584 -0.302 0.000 1.159 464 A CA 1.344 53.217 52.037 -0.273 0.000 0.656 464 A CB -0.133 18.705 19.000 -0.270 0.000 0.800 464 A HN 0.354 nan 8.150 nan 0.000 0.453 465 K N -1.329 118.836 120.400 -0.391 0.000 2.417 465 K HA 0.286 4.605 4.320 -0.003 0.000 0.196 465 K C 0.873 177.330 176.600 -0.239 0.000 1.023 465 K CA 0.422 56.517 56.287 -0.321 0.000 1.122 465 K CB 0.114 32.383 32.500 -0.384 0.000 0.850 465 K HN 0.570 nan 8.250 nan 0.000 0.521 466 G N 1.820 110.453 108.800 -0.279 0.000 2.147 466 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.244 466 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.244 466 G C -0.520 174.202 174.900 -0.297 0.000 1.005 466 G CA -0.044 44.930 45.100 -0.211 0.000 0.713 466 G HN 0.383 nan 8.290 nan 0.000 0.515 467 E N -1.066 118.812 120.200 -0.536 0.000 2.199 467 E HA 0.640 4.989 4.350 -0.003 0.000 0.269 467 E C -0.946 175.220 176.600 -0.723 0.000 0.899 467 E CA -0.882 55.276 56.400 -0.403 0.000 0.772 467 E CB 1.105 30.695 29.700 -0.184 0.000 1.155 467 E HN 0.147 nan 8.360 nan 0.000 0.408 468 F N 2.745 122.661 119.950 -0.057 0.000 2.523 468 F HA 0.240 4.765 4.527 -0.003 0.000 0.322 468 F C -1.623 174.119 175.800 -0.096 0.000 1.361 468 F CA -1.465 56.517 58.000 -0.030 0.000 1.151 468 F CB 1.224 40.219 39.000 -0.008 0.000 1.391 468 F HN 0.342 nan 8.300 nan 0.000 0.566 469 P HA -0.001 nan 4.420 nan 0.000 0.237 469 P C -0.058 177.138 177.300 -0.173 0.000 1.178 469 P CA 0.950 63.925 63.100 -0.208 0.000 0.766 469 P CB 0.808 32.276 31.700 -0.386 0.000 0.876 470 L N 1.387 122.550 121.223 -0.100 0.000 2.377 470 L HA 0.322 4.661 4.340 -0.003 0.000 0.270 470 L C 0.283 177.217 176.870 0.107 0.000 0.991 470 L CA -0.472 54.335 54.840 -0.055 0.000 0.851 470 L CB 1.404 43.307 42.059 -0.260 0.000 1.218 470 L HN -0.158 nan 8.230 nan 0.000 0.420 471 N N 0.487 119.289 118.700 0.170 0.000 2.194 471 N HA 0.233 4.972 4.740 -0.003 0.000 0.231 471 N C 0.062 175.805 175.510 0.389 0.000 1.247 471 N CA -0.240 52.992 53.050 0.304 0.000 0.884 471 N CB 1.247 39.897 38.487 0.272 0.000 1.146 471 N HN 0.456 nan 8.380 nan 0.000 0.516 472 G N 0.118 109.089 108.800 0.284 0.000 2.714 472 G HA2 0.658 4.616 3.960 -0.003 0.000 0.292 472 G HA3 0.658 4.616 3.960 -0.003 0.000 0.292 472 G C -3.130 171.863 174.900 0.155 0.000 1.308 472 G CA -1.789 43.486 45.100 0.291 0.000 0.964 472 G HN -0.033 nan 8.290 nan 0.000 0.484 473 P HA 0.289 nan 4.420 nan 0.000 0.277 473 P C -0.132 177.097 177.300 -0.119 0.000 1.240 473 P CA -0.324 62.703 63.100 -0.122 0.000 0.798 473 P CB 1.614 33.099 31.700 -0.358 0.000 0.979 474 V N 2.786 122.554 119.914 -0.245 0.000 2.555 474 V HA 0.085 4.204 4.120 -0.003 0.000 0.286 474 V C 0.788 176.903 176.094 0.035 0.000 1.044 474 V CA 0.403 62.598 62.300 -0.176 0.000 1.026 474 V CB -0.145 31.481 31.823 -0.330 0.000 0.981 474 V HN 0.520 nan 8.190 nan 0.000 0.480 475 E N 5.570 125.825 120.200 0.091 0.000 2.224 475 E HA 0.606 4.955 4.350 -0.003 0.000 0.265 475 E C -1.208 175.502 176.600 0.183 0.000 0.878 475 E CA -0.544 55.944 56.400 0.147 0.000 0.759 475 E CB 2.715 32.495 29.700 0.134 0.000 1.164 475 E HN 0.503 nan 8.360 nan 0.000 0.414 476 I N 3.773 124.484 120.570 0.235 0.000 2.499 476 I HA 0.437 4.605 4.170 -0.003 0.000 0.288 476 I C -0.439 175.892 176.117 0.357 0.000 1.048 476 I CA -0.834 60.594 61.300 0.213 0.000 1.062 476 I CB 1.349 39.388 38.000 0.065 0.000 1.238 476 I HN 0.402 nan 8.210 nan 0.000 0.426 477 R N 5.055 125.773 120.500 0.363 0.000 2.710 477 R HA 0.680 5.019 4.340 -0.003 0.000 0.270 477 R C -2.079 174.493 176.300 0.453 0.000 1.021 477 R CA -0.504 55.882 56.100 0.477 0.000 0.889 477 R CB 1.328 31.890 30.300 0.436 0.000 1.243 477 R HN 0.598 nan 8.270 nan 0.000 0.464 478 C N 0.833 120.390 119.300 0.429 0.000 2.529 478 C HA 0.859 5.318 4.460 -0.003 0.000 0.329 478 C C 0.701 175.895 174.990 0.340 0.000 1.194 478 C CA -0.332 58.876 59.018 0.316 0.000 1.779 478 C CB 0.916 28.786 27.740 0.217 0.000 2.322 478 C HN 1.043 nan 8.230 nan 0.000 0.500 479 C N 0.371 119.859 119.300 0.313 0.000 3.321 479 C HA 0.990 5.448 4.460 -0.003 0.000 0.363 479 C C 0.514 175.612 174.990 0.180 0.000 1.705 479 C CA -0.131 59.049 59.018 0.269 0.000 1.298 479 C CB 0.799 28.734 27.740 0.326 0.000 2.086 479 C HN 1.151 nan 8.230 nan 0.000 0.438 480 G N -0.222 108.699 108.800 0.201 0.000 2.543 480 G HA2 0.608 4.566 3.960 -0.003 0.000 0.290 480 G HA3 0.608 4.566 3.960 -0.003 0.000 0.290 480 G C -0.768 174.214 174.900 0.136 0.000 1.310 480 G CA -0.817 44.377 45.100 0.156 0.000 1.025 480 G HN 0.898 nan 8.290 nan 0.000 0.502 481 L N -0.966 120.322 121.223 0.109 0.000 2.376 481 L HA 0.334 4.672 4.340 -0.003 0.000 0.267 481 L C -0.331 176.598 176.870 0.098 0.000 1.035 481 L CA -0.982 53.914 54.840 0.094 0.000 0.800 481 L CB 1.250 43.354 42.059 0.076 0.000 1.290 481 L HN 0.324 nan 8.230 nan 0.000 0.462 482 D N 1.789 122.240 120.400 0.087 0.000 2.600 482 D HA 0.050 4.689 4.640 -0.003 0.000 0.226 482 D C -0.068 176.268 176.300 0.060 0.000 1.119 482 D CA 0.069 54.110 54.000 0.068 0.000 1.051 482 D CB 0.203 41.042 40.800 0.065 0.000 1.106 482 D HN 0.251 nan 8.370 nan 0.000 0.491 483 Q N 0.395 120.234 119.800 0.066 0.000 2.314 483 Q HA 0.217 4.556 4.340 -0.003 0.000 0.258 483 Q C 1.064 177.092 176.000 0.046 0.000 0.954 483 Q CA -0.214 55.625 55.803 0.061 0.000 0.890 483 Q CB 1.554 30.337 28.738 0.076 0.000 1.210 483 Q HN 0.322 nan 8.270 nan 0.000 0.410 484 A N 2.902 125.745 122.820 0.038 0.000 1.972 484 A HA -0.152 4.166 4.320 -0.003 0.000 0.219 484 A C 1.921 179.523 177.584 0.030 0.000 1.169 484 A CA 1.803 53.857 52.037 0.029 0.000 0.635 484 A CB -0.418 18.596 19.000 0.023 0.000 0.810 484 A HN 0.797 nan 8.150 nan 0.000 0.446 485 A N 0.034 122.876 122.820 0.036 0.000 2.019 485 A HA -0.163 4.156 4.320 -0.003 0.000 0.219 485 A C 1.574 179.183 177.584 0.041 0.000 1.164 485 A CA 1.789 53.848 52.037 0.037 0.000 0.644 485 A CB -0.458 18.569 19.000 0.043 0.000 0.805 485 A HN 0.465 nan 8.150 nan 0.000 0.449 486 D N -0.503 119.925 120.400 0.046 0.000 2.269 486 D HA 0.036 4.675 4.640 -0.003 0.000 0.208 486 D C 0.450 176.766 176.300 0.026 0.000 0.963 486 D CA 0.499 54.526 54.000 0.044 0.000 0.864 486 D CB -0.181 40.647 40.800 0.046 0.000 0.936 486 D HN 0.206 nan 8.370 nan 0.000 0.505 487 V N 1.989 121.915 119.914 0.021 0.000 2.432 487 V HA 0.095 4.213 4.120 -0.003 0.000 0.271 487 V C 1.063 177.167 176.094 0.016 0.000 1.046 487 V CA -0.106 62.202 62.300 0.014 0.000 0.945 487 V CB 1.630 33.459 31.823 0.011 0.000 0.992 487 V HN -0.109 nan 8.190 nan 0.000 0.471 488 K N 2.980 123.389 120.400 0.015 0.000 2.373 488 K HA 0.231 4.550 4.320 -0.003 0.000 0.202 488 K C 0.018 176.627 176.600 0.014 0.000 1.025 488 K CA 0.182 56.478 56.287 0.015 0.000 1.115 488 K CB 0.805 33.313 32.500 0.014 0.000 0.858 488 K HN 0.650 nan 8.250 nan 0.000 0.525 489 V N -1.048 118.874 119.914 0.015 0.000 2.975 489 V HA 0.618 4.737 4.120 -0.003 0.000 0.318 489 V C -2.641 173.462 176.094 0.014 0.000 1.077 489 V CA -2.822 59.486 62.300 0.015 0.000 1.000 489 V CB 1.306 33.139 31.823 0.017 0.000 1.066 489 V HN -0.157 nan 8.190 nan 0.000 0.452 490 P HA 0.263 nan 4.420 nan 0.000 0.264 490 P C -0.529 176.780 177.300 0.014 0.000 1.183 490 P CA 0.659 63.766 63.100 0.013 0.000 0.763 490 P CB 0.565 32.273 31.700 0.012 0.000 0.807 491 S N 1.486 117.193 115.700 0.012 0.000 2.546 491 S HA 0.319 4.788 4.470 -0.003 0.000 0.272 491 S C 0.650 175.255 174.600 0.009 0.000 1.140 491 S CA -0.714 57.493 58.200 0.012 0.000 0.920 491 S CB 1.011 64.218 63.200 0.011 0.000 1.083 491 S HN 0.176 nan 8.310 nan 0.000 0.476 492 V N 1.960 121.878 119.914 0.008 0.000 3.306 492 V HA 0.662 4.780 4.120 -0.003 0.000 0.264 492 V C 1.121 177.216 176.094 0.002 0.000 1.149 492 V CA 1.100 63.402 62.300 0.004 0.000 1.143 492 V CB -1.028 30.796 31.823 0.001 0.000 0.767 492 V HN 1.335 nan 8.190 nan 0.000 0.476 493 G N 0.262 109.065 108.800 0.004 0.000 2.350 493 G HA2 0.242 4.201 3.960 -0.003 0.000 0.282 493 G HA3 0.242 4.201 3.960 -0.003 0.000 0.282 493 G C -3.369 171.536 174.900 0.009 0.000 1.314 493 G CA -0.235 44.869 45.100 0.007 0.000 0.915 493 G HN 0.277 nan 8.290 nan 0.000 0.499 494 P HA 0.461 nan 4.420 nan 0.000 0.279 494 P C -2.807 174.506 177.300 0.021 0.000 1.276 494 P CA -1.366 61.749 63.100 0.025 0.000 0.801 494 P CB 0.179 31.904 31.700 0.043 0.000 1.127 495 P HA 0.027 nan 4.420 nan 0.000 0.264 495 P C 0.988 178.311 177.300 0.039 0.000 1.193 495 P CA 0.561 63.673 63.100 0.021 0.000 0.763 495 P CB -0.210 31.510 31.700 0.034 0.000 0.810 496 T N 3.067 117.626 114.554 0.010 0.000 2.708 496 T HA -0.140 4.208 4.350 -0.003 0.000 0.266 496 T C 1.320 176.073 174.700 0.090 0.000 1.037 496 T CA 1.683 63.799 62.100 0.026 0.000 1.146 496 T CB -0.566 68.273 68.868 -0.049 0.000 0.865 496 T HN 0.594 nan 8.240 nan 0.000 0.435 497 I N -0.083 120.515 120.570 0.046 0.000 3.856 497 I HA 0.393 4.561 4.170 -0.003 0.000 0.330 497 I C 0.302 176.473 176.117 0.090 0.000 1.546 497 I CA -0.889 60.410 61.300 -0.003 0.000 1.132 497 I CB 0.214 38.163 38.000 -0.085 0.000 1.157 497 I HN -0.034 nan 8.210 nan 0.000 0.440 498 S N 0.923 116.734 115.700 0.184 0.000 2.576 498 S HA 0.549 5.018 4.470 -0.003 0.000 0.276 498 S C 1.372 176.188 174.600 0.360 0.000 1.339 498 S CA -0.073 58.298 58.200 0.286 0.000 1.039 498 S CB 1.923 65.240 63.200 0.194 0.000 0.902 498 S HN 0.422 nan 8.310 nan 0.000 0.516 499 A N 2.164 125.200 122.820 0.359 0.000 2.121 499 A HA 0.031 4.349 4.320 -0.003 0.000 0.218 499 A C 2.043 179.691 177.584 0.106 0.000 1.154 499 A CA 1.315 53.474 52.037 0.202 0.000 0.679 499 A CB -1.294 17.744 19.000 0.063 0.000 0.795 499 A HN 1.067 nan 8.150 nan 0.000 0.458 500 T N -2.355 112.308 114.554 0.182 0.000 3.169 500 T HA 0.162 4.510 4.350 -0.003 0.000 0.250 500 T C 0.756 175.523 174.700 0.112 0.000 1.111 500 T CA -0.237 61.941 62.100 0.129 0.000 1.010 500 T CB -0.365 68.616 68.868 0.188 0.000 0.984 500 T HN 0.443 nan 8.240 nan 0.000 0.537 501 R N 2.568 123.150 120.500 0.137 0.000 2.489 501 R HA 0.231 4.570 4.340 -0.003 0.000 0.287 501 R C -2.635 173.728 176.300 0.104 0.000 1.053 501 R CA -1.574 54.599 56.100 0.123 0.000 1.036 501 R CB 0.024 30.418 30.300 0.156 0.000 0.966 501 R HN 0.102 nan 8.270 nan 0.000 0.432 502 P HA 0.009 nan 4.420 nan 0.000 0.267 502 P C -0.936 176.414 177.300 0.083 0.000 1.200 502 P CA 0.098 63.252 63.100 0.090 0.000 0.772 502 P CB 0.524 32.265 31.700 0.068 0.000 0.855 503 R N 4.080 124.636 120.500 0.093 0.000 2.198 503 R HA 0.195 4.534 4.340 -0.003 0.000 0.339 503 R C -1.779 174.488 176.300 -0.055 0.000 1.020 503 R CA -1.821 54.302 56.100 0.038 0.000 0.864 503 R CB 0.436 30.781 30.300 0.074 0.000 1.105 503 R HN 0.361 nan 8.270 nan 0.000 0.463 504 P HA -0.149 nan 4.420 nan 0.000 0.218 504 P C 0.589 177.777 177.300 -0.188 0.000 1.148 504 P CA 1.129 64.171 63.100 -0.096 0.000 0.822 504 P CB 0.260 31.919 31.700 -0.068 0.000 0.784 505 D N -2.488 117.746 120.400 -0.276 0.000 2.363 505 D HA -0.126 4.513 4.640 -0.003 0.000 0.220 505 D C 0.228 175.980 176.300 -0.914 0.000 0.994 505 D CA 0.838 54.538 54.000 -0.500 0.000 0.890 505 D CB -0.741 39.766 40.800 -0.488 0.000 0.906 505 D HN 0.279 nan 8.370 nan 0.000 0.530 506 H N 0.264 119.020 119.070 -0.523 0.000 2.538 506 H HA 0.190 4.745 4.556 -0.002 0.000 0.239 506 H C -1.878 173.193 175.328 -0.428 0.000 1.401 506 H CA -1.141 54.454 56.048 -0.755 0.000 1.499 506 H CB 1.775 30.390 29.762 -1.911 0.000 1.624 506 H HN 0.027 nan 8.280 nan 0.000 0.524 507 P HA -0.131 nan 4.420 nan 0.000 0.222 507 P C 1.143 178.448 177.300 0.010 0.000 1.147 507 P CA 1.035 64.098 63.100 -0.061 0.000 0.790 507 P CB 0.369 32.031 31.700 -0.063 0.000 0.780 508 D N -2.439 117.975 120.400 0.023 0.000 2.347 508 D HA -0.120 4.518 4.640 -0.003 0.000 0.215 508 D C 0.065 176.524 176.300 0.265 0.000 0.976 508 D CA 0.051 54.122 54.000 0.117 0.000 0.884 508 D CB -0.695 40.177 40.800 0.120 0.000 0.915 508 D HN 0.071 nan 8.370 nan 0.000 0.526 509 W N 2.673 123.983 121.300 0.016 0.000 2.419 509 W HA 0.278 4.937 4.660 -0.002 0.000 0.312 509 W C 0.334 176.839 176.519 -0.024 0.000 1.323 509 W CA -0.910 56.419 57.345 -0.027 0.000 1.293 509 W CB 0.424 29.853 29.460 -0.052 0.000 1.324 509 W HN 0.076 nan 8.180 nan 0.000 0.512 510 D N 0.722 121.217 120.400 0.157 0.000 2.563 510 D HA 0.131 4.769 4.640 -0.003 0.000 0.256 510 D C -0.426 175.895 176.300 0.036 0.000 1.400 510 D CA -0.032 54.022 54.000 0.089 0.000 0.800 510 D CB -0.653 40.194 40.800 0.078 0.000 1.145 510 D HN 0.010 nan 8.370 nan 0.000 0.501 511 V N -2.645 117.257 119.914 -0.020 0.000 3.007 511 V HA 0.981 5.100 4.120 -0.003 0.000 0.311 511 V C -0.995 174.986 176.094 -0.187 0.000 1.120 511 V CA -1.133 61.127 62.300 -0.067 0.000 0.980 511 V CB 1.744 33.531 31.823 -0.061 0.000 1.033 511 V HN 0.246 nan 8.190 nan 0.000 0.429 512 A N 4.129 126.807 122.820 -0.237 0.000 2.318 512 A HA 0.884 5.203 4.320 -0.003 0.000 0.317 512 A C -0.584 176.610 177.584 -0.651 0.000 1.159 512 A CA -0.645 51.058 52.037 -0.557 0.000 0.799 512 A CB 0.636 19.233 19.000 -0.672 0.000 1.194 512 A HN 0.922 nan 8.150 nan 0.000 0.479 513 I N 2.123 122.265 120.570 -0.713 0.000 2.330 513 I HA 0.234 4.402 4.170 -0.003 0.000 0.289 513 I C -1.103 174.635 176.117 -0.631 0.000 1.001 513 I CA -0.243 60.751 61.300 -0.510 0.000 1.193 513 I CB 1.020 38.787 38.000 -0.388 0.000 1.345 513 I HN 0.702 nan 8.210 nan 0.000 0.461 514 W N 7.548 128.760 121.300 -0.147 0.000 2.342 514 W HA 0.514 5.173 4.660 -0.002 0.000 0.310 514 W C -0.641 175.807 176.519 -0.117 0.000 1.128 514 W CA -0.440 56.836 57.345 -0.116 0.000 1.322 514 W CB 0.508 29.966 29.460 -0.002 0.000 1.251 514 W HN 0.242 nan 8.180 nan 0.000 0.439 515 L N 5.060 126.244 121.223 -0.064 0.000 2.313 515 L HA 0.374 4.712 4.340 -0.003 0.000 0.273 515 L C -0.503 176.272 176.870 -0.158 0.000 1.028 515 L CA -0.431 54.260 54.840 -0.248 0.000 0.871 515 L CB 0.098 41.713 42.059 -0.740 0.000 1.242 515 L HN 0.433 nan 8.230 nan 0.000 0.434 516 N N 1.522 120.233 118.700 0.018 0.000 2.384 516 N HA 0.708 5.446 4.740 -0.003 0.000 0.301 516 N C -1.176 174.372 175.510 0.063 0.000 1.133 516 N CA -0.672 52.404 53.050 0.042 0.000 0.853 516 N CB 2.949 41.484 38.487 0.081 0.000 1.241 516 N HN 0.081 nan 8.380 nan 0.000 0.502 517 V N 2.008 121.931 119.914 0.015 0.000 2.588 517 V HA 0.476 4.594 4.120 -0.003 0.000 0.304 517 V C -0.887 175.249 176.094 0.071 0.000 1.042 517 V CA -0.717 61.613 62.300 0.050 0.000 0.877 517 V CB 1.482 33.413 31.823 0.180 0.000 0.996 517 V HN 0.417 nan 8.190 nan 0.000 0.425 518 L N 3.324 124.646 121.223 0.166 0.000 2.334 518 L HA 1.008 5.347 4.340 -0.003 0.000 0.273 518 L C 0.520 177.584 176.870 0.323 0.000 1.013 518 L CA 0.188 55.174 54.840 0.243 0.000 0.816 518 L CB 1.916 44.109 42.059 0.223 0.000 1.278 518 L HN 0.848 nan 8.230 nan 0.000 0.431 519 G N 0.399 109.404 108.800 0.341 0.000 2.698 519 G HA2 0.543 4.502 3.960 -0.003 0.000 0.293 519 G HA3 0.543 4.502 3.960 -0.003 0.000 0.293 519 G C -1.743 173.278 174.900 0.202 0.000 1.437 519 G CA -0.625 44.626 45.100 0.253 0.000 0.852 519 G HN 0.276 nan 8.290 nan 0.000 0.499 520 V N 2.267 122.264 119.914 0.138 0.000 2.521 520 V HA 0.201 4.320 4.120 -0.003 0.000 0.286 520 V C -1.729 174.376 176.094 0.018 0.000 1.034 520 V CA -0.826 61.530 62.300 0.094 0.000 1.045 520 V CB 1.110 32.952 31.823 0.031 0.000 0.974 520 V HN 0.523 nan 8.190 nan 0.000 0.480 521 P HA 0.189 nan 4.420 nan 0.000 0.264 521 P C 0.934 178.206 177.300 -0.048 0.000 1.183 521 P CA 1.339 64.453 63.100 0.022 0.000 0.763 521 P CB 0.528 32.297 31.700 0.115 0.000 0.807 522 G N 1.427 110.156 108.800 -0.119 0.000 2.175 522 G HA2 -0.219 3.740 3.960 -0.003 0.000 0.244 522 G HA3 -0.219 3.740 3.960 -0.003 0.000 0.244 522 G C 0.263 175.077 174.900 -0.144 0.000 0.982 522 G CA -0.059 44.979 45.100 -0.104 0.000 0.641 522 G HN 0.585 nan 8.290 nan 0.000 0.527 523 T N 3.585 118.019 114.554 -0.200 0.000 2.817 523 T HA 0.433 4.781 4.350 -0.003 0.000 0.295 523 T C -1.950 172.631 174.700 -0.198 0.000 0.958 523 T CA -0.132 61.864 62.100 -0.175 0.000 1.157 523 T CB 1.200 69.964 68.868 -0.172 0.000 0.898 523 T HN 0.149 nan 8.240 nan 0.000 0.536 524 P HA 0.220 nan 4.420 nan 0.000 0.264 524 P C 1.089 178.307 177.300 -0.137 0.000 1.193 524 P CA 0.648 63.684 63.100 -0.108 0.000 0.763 524 P CB 0.333 31.996 31.700 -0.062 0.000 0.810 525 G N 2.942 111.660 108.800 -0.136 0.000 2.199 525 G HA2 -0.386 3.572 3.960 -0.003 0.000 0.254 525 G HA3 -0.386 3.572 3.960 -0.003 0.000 0.254 525 G C 0.912 175.692 174.900 -0.201 0.000 0.982 525 G CA 0.457 45.463 45.100 -0.156 0.000 0.632 525 G HN 0.549 nan 8.290 nan 0.000 0.529 526 M N -0.263 119.156 119.600 -0.303 0.000 2.099 526 M HA 0.191 4.669 4.480 -0.003 0.000 0.262 526 M C 2.323 178.305 176.300 -0.531 0.000 1.067 526 M CA 2.108 57.121 55.300 -0.477 0.000 1.124 526 M CB -0.188 32.016 32.600 -0.661 0.000 1.353 526 M HN 0.311 nan 8.290 nan 0.000 0.410 527 F N 0.447 120.179 119.950 -0.362 0.000 2.234 527 F HA -0.159 4.367 4.527 -0.003 0.000 0.299 527 F C 2.471 178.185 175.800 -0.142 0.000 1.087 527 F CA 0.286 58.121 58.000 -0.275 0.000 1.340 527 F CB -0.220 38.760 39.000 -0.034 0.000 1.031 527 F HN 0.204 nan 8.300 nan 0.000 0.500 528 E N 0.242 120.494 120.200 0.086 0.000 2.085 528 E HA -0.252 4.096 4.350 -0.003 0.000 0.194 528 E C 1.969 178.599 176.600 0.049 0.000 0.994 528 E CA 1.284 57.723 56.400 0.064 0.000 0.801 528 E CB -0.617 29.099 29.700 0.027 0.000 0.743 528 E HN 0.416 nan 8.360 nan 0.000 0.453 529 F N 0.748 120.639 119.950 -0.099 0.000 2.146 529 F HA -0.218 4.308 4.527 -0.003 0.000 0.298 529 F C 2.121 178.012 175.800 0.152 0.000 1.096 529 F CA 1.089 59.078 58.000 -0.019 0.000 1.275 529 F CB -0.221 38.716 39.000 -0.104 0.000 1.008 529 F HN -0.038 nan 8.300 nan 0.000 0.480 530 Y N 0.723 120.927 120.300 -0.161 0.000 2.207 530 Y HA -0.201 4.348 4.550 -0.002 0.000 0.287 530 Y C 2.694 178.290 175.900 -0.506 0.000 1.156 530 Y CA 1.421 59.201 58.100 -0.532 0.000 1.182 530 Y CB -1.372 36.364 38.460 -1.207 0.000 0.979 530 Y HN 0.149 nan 8.280 nan 0.000 0.521 531 R N 0.697 121.132 120.500 -0.108 0.000 2.073 531 R HA -0.188 4.151 4.340 -0.003 0.000 0.234 531 R C 2.247 178.559 176.300 0.021 0.000 1.134 531 R CA 1.760 57.909 56.100 0.082 0.000 0.952 531 R CB -0.350 30.034 30.300 0.141 0.000 0.850 531 R HN 0.398 nan 8.270 nan 0.000 0.433 532 E N 0.222 120.391 120.200 -0.051 0.000 2.097 532 E HA -0.291 4.057 4.350 -0.003 0.000 0.196 532 E C 2.013 178.598 176.600 -0.025 0.000 1.000 532 E CA 1.812 58.191 56.400 -0.034 0.000 0.804 532 E CB -0.119 29.538 29.700 -0.072 0.000 0.740 532 E HN 0.441 nan 8.360 nan 0.000 0.454 533 M N 0.421 119.923 119.600 -0.164 0.000 2.132 533 M HA -0.162 4.316 4.480 -0.003 0.000 0.263 533 M C 2.207 178.446 176.300 -0.101 0.000 1.065 533 M CA 1.722 56.968 55.300 -0.091 0.000 1.122 533 M CB -0.033 32.566 32.600 -0.003 0.000 1.365 533 M HN 0.079 nan 8.290 nan 0.000 0.411 534 E N -0.102 120.069 120.200 -0.047 0.000 2.077 534 E HA -0.266 4.083 4.350 -0.003 0.000 0.193 534 E C 1.930 178.432 176.600 -0.164 0.000 0.989 534 E CA 1.721 58.089 56.400 -0.053 0.000 0.800 534 E CB -0.056 29.777 29.700 0.222 0.000 0.746 534 E HN 0.672 nan 8.360 nan 0.000 0.452 535 Q N -0.657 119.107 119.800 -0.061 0.000 2.084 535 Q HA -0.191 4.147 4.340 -0.003 0.000 0.202 535 Q C 1.792 177.709 176.000 -0.139 0.000 0.978 535 Q CA 1.649 57.412 55.803 -0.066 0.000 0.844 535 Q CB -0.313 28.433 28.738 0.012 0.000 0.898 535 Q HN 0.460 nan 8.270 nan 0.000 0.426 536 W N 1.097 122.193 121.300 -0.341 0.000 2.379 536 W HA -0.137 4.522 4.660 -0.002 0.000 0.307 536 W C 1.826 178.028 176.519 -0.529 0.000 1.200 536 W CA 1.392 58.446 57.345 -0.485 0.000 1.297 536 W CB -0.081 28.861 29.460 -0.863 0.000 1.140 536 W HN 0.021 nan 8.180 nan 0.000 0.507 537 M N 0.234 119.456 119.600 -0.630 0.000 2.159 537 M HA -0.188 4.291 4.480 -0.003 0.000 0.263 537 M C 2.154 177.962 176.300 -0.819 0.000 1.063 537 M CA 1.824 56.616 55.300 -0.847 0.000 1.110 537 M CB -0.639 31.356 32.600 -1.009 0.000 1.374 537 M HN -0.041 nan 8.290 nan 0.000 0.411 538 R N -0.531 119.523 120.500 -0.744 0.000 2.096 538 R HA -0.073 4.266 4.340 -0.003 0.000 0.235 538 R C 2.350 178.466 176.300 -0.306 0.000 1.127 538 R CA 1.556 57.424 56.100 -0.386 0.000 0.968 538 R CB -0.321 29.853 30.300 -0.209 0.000 0.861 538 R HN 0.270 nan 8.270 nan 0.000 0.440 539 S N -0.772 114.702 115.700 -0.377 0.000 2.406 539 S HA -0.090 4.379 4.470 -0.003 0.000 0.224 539 S C 1.597 175.935 174.600 -0.436 0.000 1.030 539 S CA 0.817 58.821 58.200 -0.326 0.000 0.958 539 S CB -0.083 62.961 63.200 -0.259 0.000 0.811 539 S HN 0.422 nan 8.310 nan 0.000 0.489 540 H N -0.003 118.553 119.070 -0.856 0.000 2.355 540 H HA 0.137 4.691 4.556 -0.002 0.000 0.303 540 H C -0.199 174.623 175.328 -0.843 0.000 1.061 540 H CA 1.062 56.485 56.048 -1.043 0.000 1.368 540 H CB 0.025 28.617 29.762 -1.949 0.000 1.412 540 H HN 0.347 nan 8.280 nan 0.000 0.523 541 Y N 0.766 120.753 120.300 -0.521 0.000 2.724 541 Y HA 0.218 4.766 4.550 -0.003 0.000 0.332 541 Y C -0.045 175.666 175.900 -0.315 0.000 1.276 541 Y CA -0.526 57.328 58.100 -0.410 0.000 1.597 541 Y CB 0.038 38.295 38.460 -0.338 0.000 1.584 541 Y HN 0.223 nan 8.280 nan 0.000 0.478 542 N N 3.024 121.605 118.700 -0.199 0.000 2.732 542 N HA 0.100 4.839 4.740 -0.003 0.000 0.230 542 N C -1.736 173.710 175.510 -0.107 0.000 1.487 542 N CA -0.401 52.569 53.050 -0.134 0.000 0.765 542 N CB -0.043 38.354 38.487 -0.150 0.000 1.384 542 N HN 0.655 nan 8.380 nan 0.000 0.530 543 N N -1.565 117.097 118.700 -0.063 0.000 3.449 543 N HA 0.235 4.973 4.740 -0.003 0.000 0.312 543 N C -0.150 175.413 175.510 0.089 0.000 1.557 543 N CA -0.635 52.404 53.050 -0.019 0.000 0.864 543 N CB 0.118 38.554 38.487 -0.084 0.000 1.799 543 N HN -0.164 nan 8.380 nan 0.000 0.554 544 D N -1.624 118.843 120.400 0.111 0.000 2.348 544 D HA 0.029 4.667 4.640 -0.003 0.000 0.216 544 D C 0.004 176.485 176.300 0.303 0.000 0.970 544 D CA 0.927 55.056 54.000 0.215 0.000 0.889 544 D CB 0.035 40.932 40.800 0.161 0.000 0.912 544 D HN 0.433 nan 8.370 nan 0.000 0.524 545 D N -0.613 119.892 120.400 0.175 0.000 2.338 545 D HA 0.247 4.885 4.640 -0.003 0.000 0.208 545 D C 0.393 176.519 176.300 -0.290 0.000 0.997 545 D CA 0.354 54.412 54.000 0.096 0.000 0.880 545 D CB 0.802 41.597 40.800 -0.008 0.000 0.980 545 D HN 0.161 nan 8.370 nan 0.000 0.509 546 A N -0.361 122.190 122.820 -0.448 0.000 2.605 546 A HA 0.554 4.873 4.320 -0.003 0.000 0.294 546 A C -0.975 176.211 177.584 -0.663 0.000 1.062 546 A CA -0.470 51.033 52.037 -0.889 0.000 0.682 546 A CB 2.006 20.730 19.000 -0.462 0.000 1.278 546 A HN -0.099 nan 8.150 nan 0.000 0.410 547 T N -0.185 113.917 114.554 -0.752 0.000 2.883 547 T HA 0.688 5.037 4.350 -0.003 0.000 0.296 547 T C -1.718 172.811 174.700 -0.284 0.000 1.117 547 T CA -0.293 61.607 62.100 -0.333 0.000 1.006 547 T CB 1.007 69.784 68.868 -0.153 0.000 1.191 547 T HN 1.254 nan 8.240 nan 0.000 0.508 548 F N 2.511 122.267 119.950 -0.323 0.000 2.469 548 F HA 0.792 5.317 4.527 -0.003 0.000 0.332 548 F C -0.309 175.275 175.800 -0.360 0.000 1.103 548 F CA -0.829 56.962 58.000 -0.349 0.000 0.979 548 F CB 1.048 39.896 39.000 -0.254 0.000 1.137 548 F HN 0.469 nan 8.300 nan 0.000 0.463 549 R N 5.715 125.433 120.500 -1.304 0.000 2.574 549 R HA 0.390 4.728 4.340 -0.003 0.000 0.288 549 R C -2.791 172.656 176.300 -1.421 0.000 1.004 549 R CA -2.014 53.358 56.100 -1.214 0.000 0.895 549 R CB 1.933 31.783 30.300 -0.749 0.000 1.191 549 R HN 0.398 nan 8.270 nan 0.000 0.444 550 P HA -0.107 nan 4.420 nan 0.000 0.267 550 P C -0.832 176.153 177.300 -0.524 0.000 1.200 550 P CA -0.012 62.663 63.100 -0.708 0.000 0.772 550 P CB 0.564 31.870 31.700 -0.657 0.000 0.855 551 E N 1.977 122.115 120.200 -0.104 0.000 2.129 551 E HA 0.009 4.358 4.350 -0.003 0.000 0.283 551 E C 0.241 176.984 176.600 0.237 0.000 1.080 551 E CA -0.215 56.283 56.400 0.164 0.000 0.867 551 E CB 0.011 29.933 29.700 0.371 0.000 1.056 551 E HN 0.424 nan 8.360 nan 0.000 0.404 552 W N 2.484 123.903 121.300 0.199 0.000 2.305 552 W HA -0.295 4.364 4.660 -0.003 0.000 0.308 552 W C 2.536 179.374 176.519 0.533 0.000 1.226 552 W CA 1.194 58.703 57.345 0.273 0.000 1.253 552 W CB -0.052 29.508 29.460 0.168 0.000 1.146 552 W HN 0.601 nan 8.180 nan 0.000 0.507 553 S N -0.698 115.365 115.700 0.605 0.000 2.481 553 S HA -0.004 4.464 4.470 -0.003 0.000 0.231 553 S C 0.918 175.835 174.600 0.529 0.000 0.996 553 S CA 0.448 58.950 58.200 0.502 0.000 0.942 553 S CB -0.132 63.279 63.200 0.351 0.000 0.768 553 S HN -0.085 nan 8.310 nan 0.000 0.520 554 K N 1.073 121.745 120.400 0.452 0.000 2.583 554 K HA 0.569 4.888 4.320 -0.003 0.000 0.263 554 K C 0.659 177.416 176.600 0.261 0.000 1.038 554 K CA -0.364 56.038 56.287 0.192 0.000 1.031 554 K CB -0.494 32.054 32.500 0.080 0.000 1.399 554 K HN 0.185 nan 8.250 nan 0.000 0.531 555 G N 0.606 109.423 108.800 0.027 0.000 2.483 555 G HA2 0.368 4.326 3.960 -0.003 0.000 0.248 555 G HA3 0.368 4.326 3.960 -0.003 0.000 0.248 555 G C -0.531 174.192 174.900 -0.294 0.000 1.248 555 G CA -0.456 44.420 45.100 -0.372 0.000 0.838 555 G HN 0.528 nan 8.290 nan 0.000 0.566 556 W N -1.762 119.015 121.300 -0.871 0.000 2.937 556 W HA 0.498 5.157 4.660 -0.002 0.000 0.360 556 W C 0.277 176.421 176.519 -0.625 0.000 1.215 556 W CA -1.005 56.024 57.345 -0.527 0.000 1.183 556 W CB 0.897 30.327 29.460 -0.050 0.000 1.458 556 W HN 1.717 nan 8.180 nan 0.000 0.574 557 A N 0.225 123.133 122.820 0.146 0.000 2.687 557 A HA -0.221 4.097 4.320 -0.003 0.000 0.299 557 A C -0.565 176.931 177.584 -0.146 0.000 1.497 557 A CA 0.918 53.020 52.037 0.109 0.000 0.751 557 A CB -2.610 16.570 19.000 0.300 0.000 1.048 557 A HN 0.556 nan 8.150 nan 0.000 0.464 558 F N -0.585 119.365 119.950 0.000 0.000 2.533 558 F HA 0.397 4.922 4.527 -0.003 0.000 0.378 558 F C 1.555 177.352 175.800 -0.006 0.000 1.070 558 F CA 1.282 59.241 58.000 -0.068 0.000 1.172 558 F CB 0.963 39.972 39.000 0.014 0.000 1.085 558 F HN 0.377 nan 8.300 nan 0.000 0.552 559 G N 3.796 112.661 108.800 0.109 0.000 3.863 559 G HA2 0.136 4.094 3.960 -0.003 0.000 0.290 559 G HA3 0.136 4.094 3.960 -0.003 0.000 0.290 559 G C -1.315 173.641 174.900 0.094 0.000 1.018 559 G CA -0.234 44.925 45.100 0.098 0.000 0.824 559 G HN 0.489 nan 8.290 nan 0.000 0.507 560 P HA 0.101 nan 4.420 nan 0.000 0.235 560 P C -0.432 176.957 177.300 0.147 0.000 1.177 560 P CA 0.094 63.296 63.100 0.170 0.000 0.785 560 P CB 0.636 32.440 31.700 0.174 0.000 0.885 561 D N 2.655 123.066 120.400 0.018 0.000 2.399 561 D HA 0.108 4.746 4.640 -0.003 0.000 0.241 561 D C -2.053 173.995 176.300 -0.420 0.000 1.133 561 D CA -1.475 52.372 54.000 -0.254 0.000 0.890 561 D CB -0.178 40.552 40.800 -0.117 0.000 1.201 561 D HN 0.196 nan 8.370 nan 0.000 0.432 562 P HA -0.063 nan 4.420 nan 0.000 0.266 562 P C -0.360 176.342 177.300 -0.996 0.000 1.195 562 P CA 0.149 62.461 63.100 -1.314 0.000 0.768 562 P CB 0.093 30.825 31.700 -1.614 0.000 0.838 563 Y N -0.698 119.246 120.300 -0.593 0.000 4.729 563 Y HA -0.255 4.294 4.550 -0.003 0.000 0.239 563 Y C 1.324 177.158 175.900 -0.110 0.000 1.043 563 Y CA 0.904 58.741 58.100 -0.438 0.000 2.045 563 Y CB -3.032 34.965 38.460 -0.771 0.000 1.599 563 Y HN 0.498 nan 8.280 nan 0.000 0.655 564 T N -4.306 110.232 114.554 -0.028 0.000 3.044 564 T HA 0.088 4.436 4.350 -0.003 0.000 0.260 564 T C 0.215 174.964 174.700 0.083 0.000 1.019 564 T CA 0.275 62.407 62.100 0.054 0.000 0.921 564 T CB 0.398 69.276 68.868 0.016 0.000 1.053 564 T HN 0.295 nan 8.240 nan 0.000 0.533 565 D N 2.054 122.506 120.400 0.086 0.000 2.359 565 D HA 0.139 4.777 4.640 -0.003 0.000 0.250 565 D C 0.855 177.236 176.300 0.135 0.000 1.264 565 D CA -0.057 54.008 54.000 0.108 0.000 0.911 565 D CB 0.715 41.586 40.800 0.118 0.000 1.056 565 D HN 0.208 nan 8.370 nan 0.000 0.499 566 N N 3.469 122.239 118.700 0.116 0.000 2.166 566 N HA -0.216 4.522 4.740 -0.003 0.000 0.186 566 N C 1.276 176.850 175.510 0.107 0.000 1.019 566 N CA 1.380 54.500 53.050 0.117 0.000 0.856 566 N CB 0.139 38.682 38.487 0.093 0.000 0.993 566 N HN 0.435 nan 8.380 nan 0.000 0.426 567 D N -0.474 119.981 120.400 0.091 0.000 2.117 567 D HA -0.064 4.574 4.640 -0.003 0.000 0.197 567 D C 1.868 178.216 176.300 0.080 0.000 0.987 567 D CA 1.007 55.051 54.000 0.073 0.000 0.829 567 D CB -0.044 40.791 40.800 0.059 0.000 0.961 567 D HN 0.367 nan 8.370 nan 0.000 0.460 568 I N -0.401 120.236 120.570 0.112 0.000 2.202 568 I HA -0.205 3.964 4.170 -0.003 0.000 0.242 568 I C 2.324 178.543 176.117 0.169 0.000 1.091 568 I CA 0.482 61.861 61.300 0.132 0.000 1.368 568 I CB -0.152 37.958 38.000 0.183 0.000 1.058 568 I HN -0.004 nan 8.210 nan 0.000 0.410 569 V N 0.811 120.867 119.914 0.237 0.000 2.343 569 V HA -0.260 3.859 4.120 -0.003 0.000 0.247 569 V C 2.523 178.709 176.094 0.153 0.000 1.051 569 V CA 2.564 65.035 62.300 0.285 0.000 1.036 569 V CB -1.047 30.944 31.823 0.280 0.000 0.654 569 V HN 0.647 nan 8.190 nan 0.000 0.451 570 T N -3.510 111.108 114.554 0.107 0.000 3.037 570 T HA 0.041 4.390 4.350 -0.003 0.000 0.251 570 T C 1.513 176.244 174.700 0.052 0.000 1.079 570 T CA 0.890 63.040 62.100 0.083 0.000 1.067 570 T CB 0.034 68.947 68.868 0.075 0.000 0.948 570 T HN 0.454 nan 8.240 nan 0.000 0.496 571 N N 0.310 119.024 118.700 0.023 0.000 2.663 571 N HA 0.084 4.822 4.740 -0.003 0.000 0.250 571 N C 1.335 176.802 175.510 -0.073 0.000 1.043 571 N CA 0.138 53.179 53.050 -0.014 0.000 0.929 571 N CB 0.459 38.950 38.487 0.007 0.000 1.665 571 N HN 0.004 nan 8.380 nan 0.000 0.484 572 K N 0.851 121.218 120.400 -0.056 0.000 2.228 572 K HA 0.107 4.426 4.320 -0.003 0.000 0.202 572 K C 1.926 178.410 176.600 -0.193 0.000 1.051 572 K CA 0.525 56.756 56.287 -0.093 0.000 0.960 572 K CB -0.114 32.366 32.500 -0.034 0.000 0.743 572 K HN 0.288 nan 8.250 nan 0.000 0.458 573 M N 0.428 119.893 119.600 -0.224 0.000 2.099 573 M HA -0.091 4.388 4.480 -0.003 0.000 0.262 573 M C 2.235 178.114 176.300 -0.701 0.000 1.067 573 M CA 1.386 56.452 55.300 -0.390 0.000 1.124 573 M CB -0.989 31.428 32.600 -0.305 0.000 1.353 573 M HN 0.125 nan 8.290 nan 0.000 0.410 574 R N 0.516 120.492 120.500 -0.873 0.000 2.083 574 R HA -0.139 4.199 4.340 -0.003 0.000 0.237 574 R C 2.175 178.210 176.300 -0.442 0.000 1.137 574 R CA 1.991 57.462 56.100 -1.049 0.000 0.951 574 R CB -0.319 29.663 30.300 -0.531 0.000 0.851 574 R HN 0.308 nan 8.270 nan 0.000 0.434 575 A N 0.055 122.704 122.820 -0.285 0.000 1.908 575 A HA -0.165 4.154 4.320 -0.003 0.000 0.218 575 A C 2.227 179.682 177.584 -0.216 0.000 1.181 575 A CA 2.137 54.068 52.037 -0.178 0.000 0.627 575 A CB -1.067 17.854 19.000 -0.132 0.000 0.818 575 A HN 0.519 nan 8.150 nan 0.000 0.445 576 T N -1.395 112.964 114.554 -0.325 0.000 2.720 576 T HA -0.170 4.179 4.350 -0.003 0.000 0.268 576 T C 1.213 175.565 174.700 -0.580 0.000 1.037 576 T CA 1.813 63.617 62.100 -0.494 0.000 1.144 576 T CB -0.407 68.039 68.868 -0.703 0.000 0.864 576 T HN 0.616 nan 8.240 nan 0.000 0.444 577 Y N 0.677 120.877 120.300 -0.166 0.000 2.493 577 Y HA 0.377 4.925 4.550 -0.003 0.000 0.275 577 Y C 1.696 177.650 175.900 0.090 0.000 1.183 577 Y CA -0.424 57.689 58.100 0.023 0.000 1.258 577 Y CB -0.274 38.326 38.460 0.234 0.000 1.108 577 Y HN 0.324 nan 8.280 nan 0.000 0.521 578 I N -3.750 116.864 120.570 0.073 0.000 4.139 578 I HA 0.240 4.409 4.170 -0.003 0.000 0.335 578 I C 0.476 176.603 176.117 0.016 0.000 1.327 578 I CA -0.118 61.228 61.300 0.077 0.000 1.112 578 I CB 0.284 38.328 38.000 0.073 0.000 1.058 578 I HN -0.114 nan 8.210 nan 0.000 0.396 579 E N 2.468 122.647 120.200 -0.035 0.000 2.299 579 E HA 0.295 4.643 4.350 -0.003 0.000 0.272 579 E C 1.155 177.746 176.600 -0.016 0.000 1.043 579 E CA 0.736 57.113 56.400 -0.038 0.000 0.895 579 E CB 0.508 30.166 29.700 -0.069 0.000 1.011 579 E HN 0.555 nan 8.360 nan 0.000 0.432 580 G N 2.665 111.455 108.800 -0.018 0.000 2.162 580 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.260 580 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.260 580 G C 0.128 175.009 174.900 -0.031 0.000 0.976 580 G CA 0.457 45.536 45.100 -0.034 0.000 0.655 580 G HN 0.694 nan 8.290 nan 0.000 0.533 581 V N -2.757 117.155 119.914 -0.003 0.000 2.960 581 V HA 0.937 5.056 4.120 -0.003 0.000 0.315 581 V C -1.806 174.293 176.094 0.008 0.000 1.087 581 V CA -2.360 59.946 62.300 0.011 0.000 0.982 581 V CB 1.772 33.626 31.823 0.051 0.000 1.039 581 V HN 0.135 nan 8.190 nan 0.000 0.437 582 P HA 0.241 nan 4.420 nan 0.000 0.274 582 P C 0.857 178.165 177.300 0.014 0.000 1.237 582 P CA 0.137 63.238 63.100 0.001 0.000 0.793 582 P CB 0.859 32.555 31.700 -0.006 0.000 0.977 583 T N -3.624 110.936 114.554 0.010 0.000 3.072 583 T HA -0.094 4.254 4.350 -0.003 0.000 0.266 583 T C 1.259 175.964 174.700 0.008 0.000 1.127 583 T CA 1.381 63.491 62.100 0.016 0.000 1.107 583 T CB -1.336 67.539 68.868 0.012 0.000 0.910 583 T HN 0.539 nan 8.240 nan 0.000 0.513 584 T N -1.424 113.130 114.554 0.000 0.000 3.113 584 T HA 0.210 4.558 4.350 -0.003 0.000 0.256 584 T C 0.526 175.219 174.700 -0.012 0.000 1.131 584 T CA 0.285 62.380 62.100 -0.008 0.000 1.074 584 T CB -0.118 68.744 68.868 -0.011 0.000 0.944 584 T HN 0.438 nan 8.240 nan 0.000 0.516 585 E N 1.643 121.843 120.200 0.000 0.000 2.934 585 E HA 0.299 4.647 4.350 -0.003 0.000 0.343 585 E C -0.934 175.688 176.600 0.036 0.000 1.148 585 E CA -0.555 55.845 56.400 0.001 0.000 0.803 585 E CB 0.097 29.796 29.700 -0.001 0.000 1.541 585 E HN 0.525 nan 8.360 nan 0.000 0.380 586 N N 0.241 118.971 118.700 0.049 0.000 3.418 586 N HA 0.165 4.903 4.740 -0.003 0.000 0.316 586 N C 0.501 176.111 175.510 0.166 0.000 1.601 586 N CA -0.814 52.315 53.050 0.131 0.000 0.805 586 N CB -0.276 38.293 38.487 0.136 0.000 1.873 586 N HN 0.222 nan 8.380 nan 0.000 0.615 587 W N 0.543 121.882 121.300 0.065 0.000 2.321 587 W HA -0.179 4.480 4.660 -0.003 0.000 0.306 587 W C 0.038 176.556 176.519 -0.000 0.000 1.217 587 W CA 2.314 59.695 57.345 0.059 0.000 1.257 587 W CB -0.175 29.364 29.460 0.132 0.000 1.145 587 W HN 0.496 nan 8.180 nan 0.000 0.509 588 D N -0.359 120.147 120.400 0.176 0.000 2.144 588 D HA -0.138 4.500 4.640 -0.003 0.000 0.200 588 D C 2.150 178.399 176.300 -0.085 0.000 0.978 588 D CA 2.095 56.118 54.000 0.039 0.000 0.833 588 D CB -0.716 40.139 40.800 0.093 0.000 0.961 588 D HN 0.094 nan 8.370 nan 0.000 0.470 589 T N 0.807 115.314 114.554 -0.079 0.000 2.684 589 T HA -0.145 4.203 4.350 -0.003 0.000 0.267 589 T C 2.051 176.583 174.700 -0.279 0.000 1.036 589 T CA 1.601 63.619 62.100 -0.136 0.000 1.148 589 T CB -0.292 68.520 68.868 -0.094 0.000 0.863 589 T HN 0.200 nan 8.240 nan 0.000 0.436 590 A N 1.784 124.379 122.820 -0.375 0.000 1.877 590 A HA -0.112 4.206 4.320 -0.003 0.000 0.216 590 A C 2.393 179.409 177.584 -0.946 0.000 1.186 590 A CA 1.500 53.100 52.037 -0.728 0.000 0.620 590 A CB -0.546 18.059 19.000 -0.659 0.000 0.822 590 A HN 0.412 nan 8.150 nan 0.000 0.443 591 R N -0.457 119.688 120.500 -0.592 0.000 2.091 591 R HA -0.139 4.200 4.340 -0.003 0.000 0.238 591 R C 2.462 178.622 176.300 -0.233 0.000 1.136 591 R CA 1.379 57.276 56.100 -0.338 0.000 0.959 591 R CB -0.519 29.635 30.300 -0.243 0.000 0.856 591 R HN 0.523 nan 8.270 nan 0.000 0.437 592 A N 0.995 123.682 122.820 -0.222 0.000 1.902 592 A HA -0.202 4.117 4.320 -0.003 0.000 0.217 592 A C 2.124 179.615 177.584 -0.155 0.000 1.181 592 A CA 1.571 53.522 52.037 -0.144 0.000 0.623 592 A CB -0.374 18.558 19.000 -0.113 0.000 0.818 592 A HN 0.115 nan 8.150 nan 0.000 0.443 593 R N -0.778 119.563 120.500 -0.265 0.000 2.066 593 R HA -0.101 4.238 4.340 -0.003 0.000 0.232 593 R C 1.815 178.038 176.300 -0.129 0.000 1.131 593 R CA 1.947 57.905 56.100 -0.237 0.000 0.955 593 R CB -1.051 29.032 30.300 -0.361 0.000 0.851 593 R HN 0.686 nan 8.270 nan 0.000 0.432 594 Y N 0.110 120.345 120.300 -0.110 0.000 2.181 594 Y HA -0.190 4.358 4.550 -0.002 0.000 0.288 594 Y C 1.926 177.800 175.900 -0.043 0.000 1.146 594 Y CA 0.832 58.883 58.100 -0.082 0.000 1.164 594 Y CB -0.179 38.202 38.460 -0.132 0.000 0.982 594 Y HN 0.179 nan 8.280 nan 0.000 0.515 595 N N 0.200 118.945 118.700 0.076 0.000 2.270 595 N HA -0.157 4.581 4.740 -0.003 0.000 0.181 595 N C 1.771 177.269 175.510 -0.020 0.000 1.016 595 N CA 1.067 54.120 53.050 0.005 0.000 0.870 595 N CB -0.389 38.080 38.487 -0.030 0.000 0.979 595 N HN 0.405 nan 8.380 nan 0.000 0.431 596 Q N 0.945 120.746 119.800 0.002 0.000 2.084 596 Q HA 0.067 4.406 4.340 -0.003 0.000 0.202 596 Q C 1.812 177.867 176.000 0.092 0.000 0.978 596 Q CA 1.226 57.046 55.803 0.027 0.000 0.844 596 Q CB -0.203 28.549 28.738 0.022 0.000 0.898 596 Q HN 0.351 nan 8.270 nan 0.000 0.426 597 I N -0.193 120.455 120.570 0.131 0.000 2.546 597 I HA -0.090 4.079 4.170 -0.003 0.000 0.255 597 I C 0.252 176.541 176.117 0.287 0.000 1.163 597 I CA 0.918 62.355 61.300 0.228 0.000 1.457 597 I CB 0.216 38.362 38.000 0.243 0.000 1.092 597 I HN 0.229 nan 8.210 nan 0.000 0.434 598 D N -0.199 120.303 120.400 0.171 0.000 2.714 598 D HA 0.120 4.758 4.640 -0.003 0.000 0.264 598 D C -1.883 174.332 176.300 -0.140 0.000 1.231 598 D CA -1.562 52.521 54.000 0.138 0.000 0.802 598 D CB 0.808 41.785 40.800 0.295 0.000 1.319 598 D HN -0.082 nan 8.370 nan 0.000 0.528 599 P HA -0.088 nan 4.420 nan 0.000 0.225 599 P C 0.708 177.670 177.300 -0.563 0.000 1.156 599 P CA 0.729 63.509 63.100 -0.534 0.000 0.787 599 P CB 0.174 31.430 31.700 -0.740 0.000 0.802 600 H N 0.026 118.864 119.070 -0.385 0.000 2.539 600 H HA 0.236 4.790 4.556 -0.002 0.000 0.267 600 H C 0.567 175.778 175.328 -0.196 0.000 0.982 600 H CA 0.130 55.978 56.048 -0.333 0.000 1.146 600 H CB -0.287 29.139 29.762 -0.559 0.000 1.382 600 H HN 0.134 nan 8.280 nan 0.000 0.577 601 R N -0.018 120.423 120.500 -0.098 0.000 3.516 601 R HA -0.143 4.195 4.340 -0.003 0.000 0.271 601 R C 0.946 177.183 176.300 -0.106 0.000 1.098 601 R CA 0.415 56.473 56.100 -0.069 0.000 0.732 601 R CB -2.307 27.967 30.300 -0.043 0.000 1.152 601 R HN 0.122 nan 8.270 nan 0.000 0.455 602 V N -0.563 119.204 119.914 -0.245 0.000 2.407 602 V HA -0.196 3.922 4.120 -0.003 0.000 0.248 602 V C 1.343 177.234 176.094 -0.338 0.000 1.055 602 V CA 2.009 64.064 62.300 -0.408 0.000 1.049 602 V CB -0.290 31.040 31.823 -0.822 0.000 0.662 602 V HN 0.327 nan 8.190 nan 0.000 0.455 603 F N 1.358 121.316 119.950 0.013 0.000 2.759 603 F HA 0.375 4.901 4.527 -0.003 0.000 0.322 603 F C 0.711 176.497 175.800 -0.023 0.000 1.199 603 F CA -0.278 57.734 58.000 0.020 0.000 1.272 603 F CB -0.191 38.831 39.000 0.036 0.000 1.467 603 F HN 0.174 nan 8.300 nan 0.000 0.561 604 T N -2.325 112.288 114.554 0.098 0.000 2.812 604 T HA 0.680 5.029 4.350 -0.003 0.000 0.294 604 T C -0.824 173.900 174.700 0.040 0.000 1.159 604 T CA -0.890 61.236 62.100 0.044 0.000 1.008 604 T CB 2.674 71.549 68.868 0.012 0.000 1.289 604 T HN 0.221 nan 8.240 nan 0.000 0.514 605 N N -1.278 117.444 118.700 0.037 0.000 3.278 605 N HA 0.512 5.250 4.740 -0.003 0.000 0.307 605 N C 1.322 176.865 175.510 0.055 0.000 1.551 605 N CA -0.351 52.724 53.050 0.041 0.000 0.794 605 N CB 0.258 38.767 38.487 0.037 0.000 1.770 605 N HN 0.844 nan 8.380 nan 0.000 0.612 606 G N -0.588 108.252 108.800 0.068 0.000 2.432 606 G HA2 -0.191 3.768 3.960 -0.003 0.000 0.219 606 G HA3 -0.191 3.768 3.960 -0.003 0.000 0.219 606 G C 0.852 175.825 174.900 0.121 0.000 1.135 606 G CA 0.536 45.682 45.100 0.078 0.000 0.767 606 G HN 0.423 nan 8.290 nan 0.000 0.550 607 F N 0.763 120.717 119.950 0.006 0.000 2.113 607 F HA 0.087 4.613 4.527 -0.003 0.000 0.297 607 F C 2.537 178.366 175.800 0.049 0.000 1.103 607 F CA 1.647 59.660 58.000 0.022 0.000 1.248 607 F CB -0.138 38.849 39.000 -0.021 0.000 0.999 607 F HN 0.154 nan 8.300 nan 0.000 0.475 608 M N 0.655 120.262 119.600 0.013 0.000 2.149 608 M HA -0.225 4.253 4.480 -0.003 0.000 0.261 608 M C 1.522 177.769 176.300 -0.088 0.000 1.064 608 M CA 1.872 57.127 55.300 -0.076 0.000 1.102 608 M CB -0.696 31.893 32.600 -0.018 0.000 1.369 608 M HN 0.025 nan 8.290 nan 0.000 0.408 609 D N -0.304 120.071 120.400 -0.042 0.000 2.219 609 D HA -0.116 4.523 4.640 -0.003 0.000 0.205 609 D C 1.893 178.179 176.300 -0.025 0.000 0.970 609 D CA 1.087 55.074 54.000 -0.022 0.000 0.851 609 D CB -0.150 40.650 40.800 0.001 0.000 0.943 609 D HN 0.460 nan 8.370 nan 0.000 0.488 610 K N -0.193 120.168 120.400 -0.065 0.000 2.076 610 K HA -0.021 4.298 4.320 -0.003 0.000 0.204 610 K C 1.945 178.519 176.600 -0.043 0.000 1.051 610 K CA 0.275 56.531 56.287 -0.052 0.000 0.949 610 K CB 0.046 32.508 32.500 -0.062 0.000 0.726 610 K HN 0.024 nan 8.250 nan 0.000 0.443 611 L N 0.451 121.588 121.223 -0.143 0.000 2.095 611 L HA 0.041 4.379 4.340 -0.003 0.000 0.204 611 L C 0.595 177.601 176.870 0.226 0.000 1.080 611 L CA 1.609 56.467 54.840 0.030 0.000 0.759 611 L CB 0.266 42.263 42.059 -0.103 0.000 0.914 611 L HN 0.014 nan 8.230 nan 0.000 0.439 612 L N 1.730 122.987 121.223 0.058 0.000 2.594 612 L HA 0.359 4.698 4.340 -0.003 0.000 0.245 612 L C -2.180 174.690 176.870 0.001 0.000 1.460 612 L CA -1.605 53.237 54.840 0.005 0.000 0.865 612 L CB 0.637 42.621 42.059 -0.126 0.000 1.131 612 L HN 0.083 nan 8.230 nan 0.000 0.506 613 P HA 0.000 nan 4.420 nan 0.000 0.216 613 P CA 0.000 63.115 63.100 0.025 0.000 0.800 613 P CB 0.000 31.728 31.700 0.046 0.000 0.726