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 3krx_1_A DATA FIRST_RESID 30 DATA SEQUENCE KKILLPEPSI RSVMQKYLED RGEVTFEKIF SQKLGYLLFR DFCLNHLEEA DATA SEQUENCE RPLVEFYEEI KKYEKLETEE ERVARSREIF DSYIMKELLA XXHPFSKSAT DATA SEQUENCE EHVQGHLGKK QVPPDLFQPY IEEICQNLRG DVFQKFIESD KFTRFCQWKN DATA SEQUENCE VELNIHLTMN DFSVHRIIGR GGFGEVYGCR KADTGKMYAM KCLDKKRIKM DATA SEQUENCE KQGETLALNE RIMLSLVSTG DCPFIVCMSY AFHTPDKLSF ILDLMNGGDL DATA SEQUENCE HYHLSQHGVF SEADMRFYAA EIILGLEHMH NRFVVYRDLK PANILLDEHG DATA SEQUENCE HVRISDLGLA CDFSKKKPHA SVGTHGYMAP EVLQKGVAYD SSADWFSLGC DATA SEQUENCE MLFKLLRGHS PFRQHKTKDK HEIDRMTLTM AVELPDSFSP ELRSLLEGLL DATA SEQUENCE QRDVNRRLGC LGRGAQEVKE SPFFRSLDWQ MVFLQKYPPP LIPPRXXXXX DATA SEQUENCE XXXXXXXXXX EEDTKGIKLL DSDQELYRNF PLTISERWQQ EVAETVFDTI DATA SEQUENCE NAETDRLEAR KKAKNKQLGH EEDYALGKDC IMHGYMSKMX XXXXXXWQRR DATA SEQUENCE YFYLFPNRLE WRGEGEAPQS LLTMEEIQSV EETQIKERKC LLLKIRGGKQ DATA SEQUENCE FILQCDSDPE LVQWKKELRD AYREAQQLVQ RVPKMKNKPR SP 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 30 K HA 0.000 nan 4.320 nan 0.000 0.191 30 K C 0.000 176.580 176.600 -0.034 0.000 0.988 30 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 30 K CB 0.000 32.484 32.500 -0.027 0.000 1.064 31 K N 1.696 122.082 120.400 -0.022 0.000 2.166 31 K HA 0.474 4.792 4.320 -0.002 0.000 0.245 31 K C -0.174 176.423 176.600 -0.005 0.000 0.967 31 K CA -0.691 55.593 56.287 -0.005 0.000 0.863 31 K CB 1.885 34.386 32.500 0.003 0.000 1.107 31 K HN -0.046 nan 8.250 nan 0.000 0.436 32 I N 3.056 123.642 120.570 0.027 0.000 2.662 32 I HA -0.100 4.069 4.170 -0.002 0.000 0.285 32 I C -0.230 175.865 176.117 -0.036 0.000 1.161 32 I CA -0.059 61.258 61.300 0.027 0.000 1.415 32 I CB 0.008 38.084 38.000 0.126 0.000 1.385 32 I HN 0.232 nan 8.210 nan 0.000 0.552 33 L N 8.930 130.107 121.223 -0.076 0.000 2.287 33 L HA 0.475 4.814 4.340 -0.002 0.000 0.287 33 L C -0.498 176.263 176.870 -0.181 0.000 1.022 33 L CA -0.188 54.582 54.840 -0.116 0.000 0.814 33 L CB 1.071 43.072 42.059 -0.096 0.000 1.217 33 L HN 0.393 nan 8.230 nan 0.000 0.420 34 L N 6.734 127.800 121.223 -0.262 0.000 2.452 34 L HA 0.425 4.764 4.340 -0.002 0.000 0.267 34 L C -1.665 175.068 176.870 -0.227 0.000 1.188 34 L CA -1.622 53.009 54.840 -0.348 0.000 0.821 34 L CB 0.385 42.144 42.059 -0.500 0.000 1.102 34 L HN 0.589 nan 8.230 nan 0.000 0.470 35 P HA 0.148 nan 4.420 nan 0.000 0.276 35 P C -0.896 176.340 177.300 -0.107 0.000 1.261 35 P CA -0.569 62.447 63.100 -0.140 0.000 0.800 35 P CB 0.652 32.278 31.700 -0.124 0.000 1.066 36 E N 0.623 120.798 120.200 -0.041 0.000 2.374 36 E HA 0.072 4.420 4.350 -0.002 0.000 0.260 36 E C -1.500 175.113 176.600 0.022 0.000 1.101 36 E CA -1.377 55.029 56.400 0.008 0.000 0.907 36 E CB -0.117 29.637 29.700 0.090 0.000 1.014 36 E HN 0.331 nan 8.360 nan 0.000 0.427 37 P HA -0.248 nan 4.420 nan 0.000 0.216 37 P C 1.192 178.521 177.300 0.049 0.000 1.150 37 P CA 1.555 64.663 63.100 0.014 0.000 0.843 37 P CB 0.045 31.759 31.700 0.024 0.000 0.787 38 S N -1.016 114.760 115.700 0.127 0.000 2.440 38 S HA -0.186 4.283 4.470 -0.002 0.000 0.240 38 S C 1.935 176.592 174.600 0.095 0.000 1.014 38 S CA 0.822 59.140 58.200 0.198 0.000 0.980 38 S CB -1.447 61.976 63.200 0.371 0.000 0.775 38 S HN -0.011 nan 8.310 nan 0.000 0.499 39 I N 2.638 123.239 120.570 0.052 0.000 2.399 39 I HA -0.192 3.977 4.170 -0.002 0.000 0.254 39 I C 2.746 178.806 176.117 -0.097 0.000 1.146 39 I CA 1.375 62.658 61.300 -0.028 0.000 1.412 39 I CB -1.052 36.910 38.000 -0.064 0.000 1.076 39 I HN 0.476 nan 8.210 nan 0.000 0.432 40 R N 0.435 120.880 120.500 -0.092 0.000 2.113 40 R HA -0.238 4.101 4.340 -0.002 0.000 0.244 40 R C 2.513 178.745 176.300 -0.113 0.000 1.142 40 R CA 2.287 58.319 56.100 -0.115 0.000 0.953 40 R CB -0.384 29.873 30.300 -0.070 0.000 0.860 40 R HN 0.216 nan 8.270 nan 0.000 0.438 41 S N -0.750 114.849 115.700 -0.167 0.000 2.374 41 S HA -0.121 4.348 4.470 -0.002 0.000 0.227 41 S C 1.802 176.247 174.600 -0.257 0.000 1.037 41 S CA 1.637 59.668 58.200 -0.281 0.000 1.024 41 S CB -0.140 62.625 63.200 -0.726 0.000 0.861 41 S HN 0.295 nan 8.310 nan 0.000 0.456 42 V N 1.810 121.573 119.914 -0.252 0.000 2.346 42 V HA -0.058 4.061 4.120 -0.002 0.000 0.244 42 V C 2.583 178.596 176.094 -0.135 0.000 1.037 42 V CA 1.391 63.540 62.300 -0.252 0.000 1.029 42 V CB -0.524 31.152 31.823 -0.245 0.000 0.663 42 V HN 0.444 nan 8.190 nan 0.000 0.454 43 M N -0.113 119.412 119.600 -0.124 0.000 2.086 43 M HA -0.200 4.279 4.480 -0.002 0.000 0.261 43 M C 2.299 178.611 176.300 0.020 0.000 1.067 43 M CA 1.782 57.026 55.300 -0.093 0.000 1.116 43 M CB -1.275 31.216 32.600 -0.182 0.000 1.348 43 M HN 0.462 nan 8.290 nan 0.000 0.407 44 Q N 0.572 120.384 119.800 0.020 0.000 2.077 44 Q HA -0.212 4.127 4.340 -0.002 0.000 0.206 44 Q C 1.926 178.000 176.000 0.123 0.000 0.989 44 Q CA 1.823 57.715 55.803 0.148 0.000 0.853 44 Q CB 0.055 28.901 28.738 0.181 0.000 0.907 44 Q HN 0.421 nan 8.270 nan 0.000 0.418 45 K N -0.694 119.733 120.400 0.044 0.000 2.148 45 K HA -0.182 4.137 4.320 -0.002 0.000 0.204 45 K C 1.976 178.601 176.600 0.042 0.000 1.050 45 K CA 1.205 57.500 56.287 0.013 0.000 0.942 45 K CB -0.254 32.207 32.500 -0.066 0.000 0.724 45 K HN 0.361 nan 8.250 nan 0.000 0.446 46 Y N 1.834 122.099 120.300 -0.060 0.000 2.145 46 Y HA -0.204 4.345 4.550 -0.002 0.000 0.286 46 Y C 1.928 177.829 175.900 0.001 0.000 1.145 46 Y CA 1.380 59.453 58.100 -0.045 0.000 1.148 46 Y CB -0.058 38.364 38.460 -0.064 0.000 0.981 46 Y HN -0.082 nan 8.280 nan 0.000 0.507 47 L N -0.396 120.990 121.223 0.271 0.000 2.044 47 L HA -0.153 4.186 4.340 -0.002 0.000 0.205 47 L C 2.438 179.394 176.870 0.143 0.000 1.075 47 L CA 1.183 56.165 54.840 0.236 0.000 0.747 47 L CB -0.667 41.577 42.059 0.308 0.000 0.903 47 L HN 0.202 nan 8.230 nan 0.000 0.435 48 E N 0.494 120.771 120.200 0.129 0.000 2.097 48 E HA -0.259 4.090 4.350 -0.002 0.000 0.196 48 E C 1.689 178.307 176.600 0.031 0.000 1.000 48 E CA 1.547 57.998 56.400 0.085 0.000 0.804 48 E CB -0.238 29.503 29.700 0.067 0.000 0.740 48 E HN 0.482 nan 8.360 nan 0.000 0.454 49 D N 0.041 120.432 120.400 -0.015 0.000 2.218 49 D HA -0.100 4.538 4.640 -0.002 0.000 0.204 49 D C 1.422 177.681 176.300 -0.068 0.000 0.976 49 D CA 0.848 54.812 54.000 -0.061 0.000 0.853 49 D CB -0.079 40.647 40.800 -0.123 0.000 0.939 49 D HN 0.096 nan 8.370 nan 0.000 0.481 50 R N -0.812 119.652 120.500 -0.060 0.000 2.393 50 R HA 0.277 4.616 4.340 -0.002 0.000 0.244 50 R C 1.159 177.472 176.300 0.021 0.000 0.920 50 R CA 0.365 56.441 56.100 -0.040 0.000 1.076 50 R CB 0.641 30.904 30.300 -0.062 0.000 1.119 50 R HN 0.028 nan 8.270 nan 0.000 0.524 51 G N 1.551 110.376 108.800 0.041 0.000 2.203 51 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.263 51 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.263 51 G C 0.484 175.443 174.900 0.099 0.000 1.012 51 G CA 0.464 45.602 45.100 0.063 0.000 0.749 51 G HN 0.468 nan 8.290 nan 0.000 0.512 52 E N -0.834 119.450 120.200 0.140 0.000 2.489 52 E HA 0.152 4.501 4.350 -0.002 0.000 0.193 52 E C 0.921 177.689 176.600 0.280 0.000 1.057 52 E CA 0.229 56.746 56.400 0.195 0.000 0.866 52 E CB 0.386 30.221 29.700 0.224 0.000 0.916 52 E HN 0.394 nan 8.360 nan 0.000 0.500 53 V N 2.215 122.289 119.914 0.268 0.000 2.306 53 V HA 0.080 4.199 4.120 -0.002 0.000 0.286 53 V C 0.298 176.585 176.094 0.322 0.000 1.404 53 V CA -0.119 62.382 62.300 0.335 0.000 1.467 53 V CB -0.228 31.754 31.823 0.264 0.000 1.459 53 V HN 0.134 nan 8.190 nan 0.000 0.518 54 T N -2.956 111.722 114.554 0.207 0.000 2.908 54 T HA 0.509 4.857 4.350 -0.002 0.000 0.290 54 T C 0.565 175.049 174.700 -0.359 0.000 1.034 54 T CA -0.538 61.543 62.100 -0.033 0.000 1.010 54 T CB 2.058 70.909 68.868 -0.029 0.000 1.068 54 T HN 0.071 nan 8.240 nan 0.000 0.481 55 F N 2.025 121.246 119.950 -1.215 0.000 2.063 55 F HA -0.114 4.412 4.527 -0.002 0.000 0.298 55 F C 2.094 177.618 175.800 -0.459 0.000 1.109 55 F CA 2.051 59.328 58.000 -1.204 0.000 1.212 55 F CB -0.326 38.018 39.000 -1.094 0.000 0.973 55 F HN 0.750 nan 8.300 nan 0.000 0.480 56 E N 0.092 120.186 120.200 -0.176 0.000 2.204 56 E HA -0.166 4.182 4.350 -0.002 0.000 0.195 56 E C 2.044 178.581 176.600 -0.106 0.000 0.990 56 E CA 1.006 57.346 56.400 -0.100 0.000 0.821 56 E CB -0.141 29.569 29.700 0.017 0.000 0.750 56 E HN 0.265 nan 8.360 nan 0.000 0.477 57 K N 0.045 120.394 120.400 -0.085 0.000 2.098 57 K HA 0.081 4.399 4.320 -0.002 0.000 0.203 57 K C 2.055 178.650 176.600 -0.008 0.000 1.051 57 K CA 0.679 56.963 56.287 -0.005 0.000 0.957 57 K CB 0.012 32.552 32.500 0.066 0.000 0.738 57 K HN 0.211 nan 8.250 nan 0.000 0.447 58 I N -0.116 120.420 120.570 -0.058 0.000 2.277 58 I HA -0.203 3.966 4.170 -0.002 0.000 0.243 58 I C 2.239 178.220 176.117 -0.227 0.000 1.094 58 I CA 0.682 61.912 61.300 -0.116 0.000 1.393 58 I CB -0.270 37.690 38.000 -0.068 0.000 1.078 58 I HN -0.050 nan 8.210 nan 0.000 0.417 59 F N 2.462 122.064 119.950 -0.580 0.000 2.161 59 F HA -0.240 4.286 4.527 -0.002 0.000 0.300 59 F C 2.588 178.183 175.800 -0.343 0.000 1.089 59 F CA 1.675 59.276 58.000 -0.665 0.000 1.282 59 F CB -0.218 37.991 39.000 -1.319 0.000 1.010 59 F HN 0.053 nan 8.300 nan 0.000 0.485 60 S N -0.397 115.176 115.700 -0.212 0.000 2.754 60 S HA 0.130 4.598 4.470 -0.002 0.000 0.223 60 S C 0.180 174.695 174.600 -0.142 0.000 0.951 60 S CA -0.408 57.684 58.200 -0.181 0.000 0.954 60 S CB -0.654 62.510 63.200 -0.060 0.000 0.780 60 S HN 0.492 nan 8.310 nan 0.000 0.509 61 Q N 0.334 120.051 119.800 -0.139 0.000 2.337 61 Q HA 0.443 4.782 4.340 -0.002 0.000 0.266 61 Q C 0.309 176.264 176.000 -0.074 0.000 1.023 61 Q CA -0.850 54.923 55.803 -0.051 0.000 0.829 61 Q CB 1.836 30.614 28.738 0.067 0.000 1.306 61 Q HN 0.041 nan 8.270 nan 0.000 0.449 62 K N 1.938 122.293 120.400 -0.075 0.000 2.009 62 K HA -0.126 4.193 4.320 -0.002 0.000 0.210 62 K C 1.497 178.010 176.600 -0.145 0.000 1.049 62 K CA 1.747 57.967 56.287 -0.112 0.000 0.929 62 K CB -0.166 32.241 32.500 -0.154 0.000 0.714 62 K HN 0.650 nan 8.250 nan 0.000 0.440 63 L N -0.707 120.413 121.223 -0.172 0.000 2.141 63 L HA -0.043 4.296 4.340 -0.002 0.000 0.209 63 L C 2.413 179.306 176.870 0.038 0.000 1.094 63 L CA 1.286 55.978 54.840 -0.247 0.000 0.763 63 L CB -0.767 41.190 42.059 -0.169 0.000 0.908 63 L HN 0.452 nan 8.230 nan 0.000 0.437 64 G N -0.909 107.928 108.800 0.062 0.000 2.402 64 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.216 64 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.216 64 G C 1.476 176.321 174.900 -0.092 0.000 1.162 64 G CA 0.601 45.596 45.100 -0.175 0.000 0.777 64 G HN 0.309 nan 8.290 nan 0.000 0.539 65 Y N 1.077 121.239 120.300 -0.230 0.000 2.145 65 Y HA 0.005 4.554 4.550 -0.002 0.000 0.286 65 Y C 2.582 178.449 175.900 -0.055 0.000 1.145 65 Y CA 1.299 59.240 58.100 -0.265 0.000 1.148 65 Y CB -0.417 37.782 38.460 -0.435 0.000 0.981 65 Y HN 0.103 nan 8.280 nan 0.000 0.507 66 L N -0.554 120.592 121.223 -0.129 0.000 2.012 66 L HA -0.281 4.058 4.340 -0.002 0.000 0.210 66 L C 2.473 179.365 176.870 0.037 0.000 1.073 66 L CA 1.574 56.351 54.840 -0.106 0.000 0.748 66 L CB -0.633 41.388 42.059 -0.064 0.000 0.891 66 L HN 0.285 nan 8.230 nan 0.000 0.431 67 L N -1.832 119.499 121.223 0.180 0.000 2.093 67 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 67 L C 2.399 179.440 176.870 0.285 0.000 1.085 67 L CA 1.217 56.258 54.840 0.336 0.000 0.755 67 L CB -0.499 41.862 42.059 0.504 0.000 0.904 67 L HN 0.145 nan 8.230 nan 0.000 0.435 68 F N 1.369 121.254 119.950 -0.108 0.000 2.075 68 F HA -0.281 4.244 4.527 -0.002 0.000 0.297 68 F C 2.869 178.599 175.800 -0.116 0.000 1.113 68 F CA 1.879 59.654 58.000 -0.375 0.000 1.218 68 F CB -0.092 38.592 39.000 -0.527 0.000 0.984 68 F HN -0.011 nan 8.300 nan 0.000 0.472 69 R N 0.104 120.479 120.500 -0.209 0.000 2.115 69 R HA -0.175 4.163 4.340 -0.002 0.000 0.230 69 R C 1.972 178.189 176.300 -0.138 0.000 1.111 69 R CA 1.627 57.572 56.100 -0.258 0.000 0.976 69 R CB -1.202 28.856 30.300 -0.404 0.000 0.870 69 R HN 0.300 nan 8.270 nan 0.000 0.445 70 D N 0.679 121.062 120.400 -0.027 0.000 2.092 70 D HA -0.229 4.410 4.640 -0.002 0.000 0.193 70 D C 1.606 177.947 176.300 0.068 0.000 0.994 70 D CA 1.351 55.382 54.000 0.051 0.000 0.828 70 D CB -0.195 40.706 40.800 0.169 0.000 0.963 70 D HN 0.277 nan 8.370 nan 0.000 0.450 71 F N 1.297 121.268 119.950 0.034 0.000 2.095 71 F HA -0.231 4.294 4.527 -0.002 0.000 0.298 71 F C 2.543 178.307 175.800 -0.059 0.000 1.104 71 F CA 1.530 59.594 58.000 0.107 0.000 1.232 71 F CB -0.612 38.495 39.000 0.178 0.000 0.987 71 F HN 0.101 nan 8.300 nan 0.000 0.475 72 C N 0.571 119.652 119.300 -0.365 0.000 2.446 72 C HA -0.105 4.354 4.460 -0.002 0.000 0.277 72 C C 2.829 177.626 174.990 -0.321 0.000 1.275 72 C CA 0.966 59.716 59.018 -0.447 0.000 1.727 72 C CB -1.416 26.097 27.740 -0.379 0.000 2.010 72 C HN 0.522 nan 8.230 nan 0.000 0.486 73 L N 1.160 122.245 121.223 -0.230 0.000 2.023 73 L HA -0.074 4.264 4.340 -0.002 0.000 0.205 73 L C 2.216 178.947 176.870 -0.233 0.000 1.073 73 L CA 1.435 56.172 54.840 -0.171 0.000 0.745 73 L CB -0.611 41.383 42.059 -0.108 0.000 0.900 73 L HN 0.359 nan 8.230 nan 0.000 0.435 74 N N -1.692 116.808 118.700 -0.334 0.000 2.395 74 N HA -0.047 4.691 4.740 -0.002 0.000 0.175 74 N C 0.984 176.104 175.510 -0.650 0.000 1.029 74 N CA 0.879 53.616 53.050 -0.521 0.000 0.897 74 N CB 0.075 38.139 38.487 -0.705 0.000 0.991 74 N HN 0.354 nan 8.380 nan 0.000 0.441 75 H N -0.841 118.081 119.070 -0.247 0.000 2.649 75 H HA 0.373 4.928 4.556 -0.002 0.000 0.258 75 H C -0.614 174.418 175.328 -0.493 0.000 1.165 75 H CA -0.282 55.598 56.048 -0.280 0.000 1.006 75 H CB 0.968 30.650 29.762 -0.134 0.000 1.743 75 H HN -0.051 nan 8.280 nan 0.000 0.609 76 L N 1.396 122.379 121.223 -0.401 0.000 2.740 76 L HA 0.177 4.515 4.340 -0.002 0.000 0.250 76 L C 0.509 177.243 176.870 -0.226 0.000 0.997 76 L CA -0.170 54.465 54.840 -0.342 0.000 0.968 76 L CB 1.499 43.228 42.059 -0.550 0.000 1.248 76 L HN -0.272 nan 8.230 nan 0.000 0.476 77 E N 0.749 120.860 120.200 -0.148 0.000 2.219 77 E HA -0.227 4.121 4.350 -0.002 0.000 0.198 77 E C 1.455 177.979 176.600 -0.126 0.000 0.998 77 E CA 1.570 57.897 56.400 -0.122 0.000 0.818 77 E CB 0.247 29.892 29.700 -0.092 0.000 0.741 77 E HN 0.754 nan 8.360 nan 0.000 0.477 78 E N -0.661 119.470 120.200 -0.116 0.000 2.110 78 E HA -0.141 4.208 4.350 -0.002 0.000 0.193 78 E C 1.659 178.176 176.600 -0.139 0.000 0.988 78 E CA 1.002 57.322 56.400 -0.133 0.000 0.804 78 E CB -0.033 29.640 29.700 -0.046 0.000 0.745 78 E HN 0.255 nan 8.360 nan 0.000 0.458 79 A N 0.750 123.510 122.820 -0.099 0.000 2.123 79 A HA -0.012 4.307 4.320 -0.002 0.000 0.214 79 A C 2.002 179.551 177.584 -0.058 0.000 1.152 79 A CA 0.471 52.471 52.037 -0.061 0.000 0.728 79 A CB -0.251 18.703 19.000 -0.077 0.000 0.814 79 A HN 0.129 nan 8.150 nan 0.000 0.464 80 R N 0.448 120.895 120.500 -0.089 0.000 2.097 80 R HA -0.127 4.211 4.340 -0.002 0.000 0.236 80 R C -0.712 175.606 176.300 0.030 0.000 1.135 80 R CA 2.171 58.241 56.100 -0.051 0.000 0.934 80 R CB -1.065 29.192 30.300 -0.070 0.000 0.846 80 R HN 0.401 nan 8.270 nan 0.000 0.431 81 P HA -0.173 nan 4.420 nan 0.000 0.216 81 P C 1.403 178.800 177.300 0.161 0.000 1.150 81 P CA 1.428 64.595 63.100 0.111 0.000 0.837 81 P CB -0.177 31.523 31.700 0.000 0.000 0.786 82 L N -0.878 120.407 121.223 0.103 0.000 2.017 82 L HA -0.130 4.208 4.340 -0.002 0.000 0.208 82 L C 2.734 179.777 176.870 0.288 0.000 1.073 82 L CA 1.443 56.399 54.840 0.193 0.000 0.745 82 L CB -1.269 40.874 42.059 0.141 0.000 0.894 82 L HN -0.136 nan 8.230 nan 0.000 0.432 83 V N -0.178 119.869 119.914 0.221 0.000 2.307 83 V HA -0.235 3.883 4.120 -0.002 0.000 0.245 83 V C 2.390 178.640 176.094 0.260 0.000 1.045 83 V CA 1.613 64.072 62.300 0.265 0.000 1.024 83 V CB -0.484 31.434 31.823 0.157 0.000 0.651 83 V HN 0.425 nan 8.190 nan 0.000 0.449 84 E N -0.554 119.754 120.200 0.181 0.000 2.086 84 E HA -0.295 4.054 4.350 -0.002 0.000 0.200 84 E C 2.050 178.642 176.600 -0.013 0.000 1.012 84 E CA 1.919 58.393 56.400 0.122 0.000 0.812 84 E CB -0.258 29.580 29.700 0.231 0.000 0.743 84 E HN 0.584 nan 8.360 nan 0.000 0.453 85 F N 0.156 120.026 119.950 -0.132 0.000 2.186 85 F HA -0.185 4.341 4.527 -0.002 0.000 0.299 85 F C 2.149 177.904 175.800 -0.075 0.000 1.090 85 F CA 1.184 59.036 58.000 -0.246 0.000 1.307 85 F CB -0.421 38.536 39.000 -0.071 0.000 1.019 85 F HN 0.028 nan 8.300 nan 0.000 0.489 86 Y N 1.236 121.550 120.300 0.024 0.000 2.097 86 Y HA -0.233 4.316 4.550 -0.002 0.000 0.282 86 Y C 2.380 178.251 175.900 -0.048 0.000 1.152 86 Y CA 2.359 60.472 58.100 0.021 0.000 1.136 86 Y CB -0.571 38.031 38.460 0.237 0.000 0.975 86 Y HN 0.131 nan 8.280 nan 0.000 0.498 87 E N -0.402 119.895 120.200 0.161 0.000 2.153 87 E HA -0.241 4.107 4.350 -0.002 0.000 0.194 87 E C 1.967 178.488 176.600 -0.131 0.000 0.988 87 E CA 1.261 57.699 56.400 0.063 0.000 0.811 87 E CB -0.070 29.727 29.700 0.163 0.000 0.746 87 E HN 0.494 nan 8.360 nan 0.000 0.466 88 E N 0.923 120.972 120.200 -0.252 0.000 2.106 88 E HA -0.099 4.250 4.350 -0.002 0.000 0.192 88 E C 1.858 178.224 176.600 -0.391 0.000 0.984 88 E CA 0.648 56.850 56.400 -0.330 0.000 0.806 88 E CB -0.024 29.380 29.700 -0.494 0.000 0.750 88 E HN 0.208 nan 8.360 nan 0.000 0.458 89 I N 0.447 120.674 120.570 -0.571 0.000 2.361 89 I HA -0.245 3.923 4.170 -0.002 0.000 0.251 89 I C 2.021 177.982 176.117 -0.261 0.000 1.133 89 I CA 0.813 61.781 61.300 -0.552 0.000 1.413 89 I CB -0.159 37.453 38.000 -0.648 0.000 1.073 89 I HN 0.018 nan 8.210 nan 0.000 0.424 90 K N 1.193 121.411 120.400 -0.302 0.000 2.097 90 K HA -0.120 4.199 4.320 -0.002 0.000 0.205 90 K C 1.979 178.525 176.600 -0.090 0.000 1.050 90 K CA 1.233 57.396 56.287 -0.207 0.000 0.938 90 K CB -0.243 32.106 32.500 -0.250 0.000 0.718 90 K HN 0.354 nan 8.250 nan 0.000 0.442 91 K N -0.298 120.056 120.400 -0.077 0.000 2.148 91 K HA -0.154 4.165 4.320 -0.002 0.000 0.204 91 K C 2.113 178.716 176.600 0.005 0.000 1.050 91 K CA 1.069 57.336 56.287 -0.034 0.000 0.942 91 K CB -0.221 32.259 32.500 -0.032 0.000 0.724 91 K HN 0.164 nan 8.250 nan 0.000 0.446 92 Y N 2.211 122.448 120.300 -0.104 0.000 2.242 92 Y HA -0.165 4.384 4.550 -0.002 0.000 0.291 92 Y C 1.757 177.653 175.900 -0.008 0.000 1.137 92 Y CA 1.415 59.488 58.100 -0.044 0.000 1.181 92 Y CB 0.118 38.550 38.460 -0.047 0.000 0.989 92 Y HN 0.056 nan 8.280 nan 0.000 0.527 93 E N 0.489 120.748 120.200 0.098 0.000 2.085 93 E HA -0.228 4.121 4.350 -0.002 0.000 0.194 93 E C 1.728 178.274 176.600 -0.090 0.000 0.994 93 E CA 1.629 58.032 56.400 0.004 0.000 0.801 93 E CB -0.149 29.570 29.700 0.031 0.000 0.743 93 E HN 0.498 nan 8.360 nan 0.000 0.453 94 K N 0.524 120.881 120.400 -0.072 0.000 2.525 94 K HA 0.055 4.374 4.320 -0.002 0.000 0.192 94 K C 0.301 176.848 176.600 -0.088 0.000 1.029 94 K CA 0.010 56.258 56.287 -0.065 0.000 1.029 94 K CB 0.006 32.479 32.500 -0.046 0.000 0.814 94 K HN 0.096 nan 8.250 nan 0.000 0.503 95 L N 1.507 122.642 121.223 -0.146 0.000 2.456 95 L HA -0.030 4.309 4.340 -0.002 0.000 0.272 95 L C 1.484 178.279 176.870 -0.126 0.000 1.189 95 L CA 0.048 54.799 54.840 -0.148 0.000 0.846 95 L CB 0.571 42.495 42.059 -0.225 0.000 1.111 95 L HN 0.195 nan 8.230 nan 0.000 0.475 96 E N 0.968 121.114 120.200 -0.090 0.000 2.006 96 E HA -0.090 4.258 4.350 -0.002 0.000 0.192 96 E C 0.422 176.979 176.600 -0.070 0.000 0.993 96 E CA 1.545 57.901 56.400 -0.072 0.000 0.808 96 E CB 0.140 29.803 29.700 -0.061 0.000 0.764 96 E HN 0.812 nan 8.360 nan 0.000 0.449 97 T N -2.388 112.126 114.554 -0.067 0.000 2.926 97 T HA 0.271 4.619 4.350 -0.002 0.000 0.289 97 T C 0.632 175.297 174.700 -0.058 0.000 1.054 97 T CA -0.844 61.225 62.100 -0.052 0.000 1.015 97 T CB 1.874 70.723 68.868 -0.032 0.000 1.167 97 T HN -0.101 nan 8.240 nan 0.000 0.526 98 E N 0.177 120.352 120.200 -0.042 0.000 2.153 98 E HA -0.145 4.203 4.350 -0.002 0.000 0.194 98 E C 1.787 178.375 176.600 -0.021 0.000 0.988 98 E CA 1.268 57.646 56.400 -0.036 0.000 0.811 98 E CB 0.075 29.760 29.700 -0.025 0.000 0.746 98 E HN 0.709 nan 8.360 nan 0.000 0.466 99 E N 0.559 120.749 120.200 -0.015 0.000 2.158 99 E HA -0.118 4.231 4.350 -0.002 0.000 0.191 99 E C 1.830 178.431 176.600 0.003 0.000 0.982 99 E CA 0.478 56.877 56.400 -0.002 0.000 0.823 99 E CB 0.029 29.728 29.700 -0.001 0.000 0.766 99 E HN 0.328 nan 8.360 nan 0.000 0.468 100 E N 1.039 121.231 120.200 -0.012 0.000 2.106 100 E HA -0.139 4.210 4.350 -0.002 0.000 0.192 100 E C 2.124 178.724 176.600 -0.001 0.000 0.984 100 E CA 0.640 57.034 56.400 -0.011 0.000 0.806 100 E CB -0.001 29.678 29.700 -0.034 0.000 0.750 100 E HN 0.128 nan 8.360 nan 0.000 0.458 101 R N 0.418 120.899 120.500 -0.032 0.000 2.062 101 R HA -0.101 4.238 4.340 -0.002 0.000 0.231 101 R C 2.484 178.876 176.300 0.154 0.000 1.136 101 R CA 1.152 57.244 56.100 -0.015 0.000 0.948 101 R CB -0.461 29.774 30.300 -0.108 0.000 0.845 101 R HN 0.011 nan 8.270 nan 0.000 0.430 102 V N 1.336 121.308 119.914 0.096 0.000 2.380 102 V HA -0.311 3.808 4.120 -0.002 0.000 0.251 102 V C 2.391 178.556 176.094 0.118 0.000 1.063 102 V CA 1.994 64.355 62.300 0.102 0.000 1.055 102 V CB -0.903 30.952 31.823 0.053 0.000 0.657 102 V HN 0.454 nan 8.190 nan 0.000 0.455 103 A N 0.072 122.952 122.820 0.100 0.000 1.841 103 A HA -0.224 4.095 4.320 -0.002 0.000 0.216 103 A C 2.401 180.073 177.584 0.146 0.000 1.199 103 A CA 1.842 53.939 52.037 0.100 0.000 0.621 103 A CB -0.581 18.462 19.000 0.071 0.000 0.835 103 A HN 0.406 nan 8.150 nan 0.000 0.445 104 R N -0.340 120.267 120.500 0.179 0.000 2.120 104 R HA -0.096 4.243 4.340 -0.002 0.000 0.234 104 R C 2.614 179.105 176.300 0.319 0.000 1.123 104 R CA 1.271 57.515 56.100 0.239 0.000 0.975 104 R CB -0.723 29.743 30.300 0.277 0.000 0.866 104 R HN 0.629 nan 8.270 nan 0.000 0.446 105 S N 0.838 116.777 115.700 0.399 0.000 2.354 105 S HA -0.215 4.253 4.470 -0.002 0.000 0.219 105 S C 2.043 176.830 174.600 0.313 0.000 1.035 105 S CA 1.510 59.942 58.200 0.387 0.000 1.037 105 S CB -0.096 63.291 63.200 0.312 0.000 0.956 105 S HN 0.324 nan 8.310 nan 0.000 0.428 106 R N 0.592 121.226 120.500 0.224 0.000 2.096 106 R HA -0.069 4.269 4.340 -0.002 0.000 0.235 106 R C 2.451 178.893 176.300 0.236 0.000 1.127 106 R CA 1.760 57.987 56.100 0.211 0.000 0.968 106 R CB -0.428 29.955 30.300 0.139 0.000 0.861 106 R HN 0.656 nan 8.270 nan 0.000 0.440 107 E N 0.266 120.583 120.200 0.196 0.000 2.130 107 E HA -0.224 4.125 4.350 -0.002 0.000 0.196 107 E C 1.844 178.557 176.600 0.188 0.000 0.998 107 E CA 1.580 58.081 56.400 0.169 0.000 0.806 107 E CB -0.050 29.735 29.700 0.141 0.000 0.738 107 E HN 0.432 nan 8.360 nan 0.000 0.459 108 I N -0.231 120.459 120.570 0.200 0.000 2.233 108 I HA -0.200 3.968 4.170 -0.002 0.000 0.243 108 I C 2.120 178.403 176.117 0.278 0.000 1.093 108 I CA 0.670 62.070 61.300 0.168 0.000 1.380 108 I CB -0.199 37.766 38.000 -0.058 0.000 1.067 108 I HN 0.154 nan 8.210 nan 0.000 0.413 109 F N 1.483 121.557 119.950 0.206 0.000 2.333 109 F HA -0.252 4.273 4.527 -0.002 0.000 0.300 109 F C 2.149 178.039 175.800 0.150 0.000 1.083 109 F CA 1.477 59.605 58.000 0.213 0.000 1.395 109 F CB -0.182 38.951 39.000 0.222 0.000 1.056 109 F HN 0.120 nan 8.300 nan 0.000 0.529 110 D N -0.902 119.648 120.400 0.250 0.000 2.123 110 D HA -0.146 4.492 4.640 -0.002 0.000 0.200 110 D C 2.182 178.508 176.300 0.043 0.000 0.976 110 D CA 1.347 55.433 54.000 0.143 0.000 0.831 110 D CB 0.043 40.934 40.800 0.151 0.000 0.974 110 D HN 0.382 nan 8.370 nan 0.000 0.469 111 S N -1.318 114.430 115.700 0.080 0.000 2.291 111 S HA -0.053 4.415 4.470 -0.002 0.000 0.185 111 S C 2.080 176.672 174.600 -0.015 0.000 0.996 111 S CA 0.254 58.477 58.200 0.038 0.000 0.997 111 S CB -0.937 62.328 63.200 0.107 0.000 0.899 111 S HN 0.223 nan 8.310 nan 0.000 0.493 112 Y N 1.409 121.691 120.300 -0.031 0.000 2.256 112 Y HA -0.035 4.513 4.550 -0.002 0.000 0.288 112 Y C 2.339 178.071 175.900 -0.280 0.000 1.155 112 Y CA 1.023 59.064 58.100 -0.099 0.000 1.203 112 Y CB -0.138 38.352 38.460 0.050 0.000 0.980 112 Y HN 0.303 nan 8.280 nan 0.000 0.530 113 I N -0.454 120.022 120.570 -0.157 0.000 2.394 113 I HA -0.276 3.893 4.170 -0.002 0.000 0.251 113 I C 1.827 177.747 176.117 -0.328 0.000 1.136 113 I CA 1.418 62.489 61.300 -0.382 0.000 1.425 113 I CB -0.613 36.991 38.000 -0.660 0.000 1.079 113 I HN 0.353 nan 8.210 nan 0.000 0.425 114 M N -0.110 119.338 119.600 -0.253 0.000 2.492 114 M HA -0.123 4.356 4.480 -0.002 0.000 0.262 114 M C 2.080 178.288 176.300 -0.155 0.000 1.090 114 M CA 1.025 56.216 55.300 -0.182 0.000 1.110 114 M CB -0.954 31.568 32.600 -0.129 0.000 1.407 114 M HN 0.223 nan 8.290 nan 0.000 0.470 115 K N 0.627 120.922 120.400 -0.176 0.000 2.076 115 K HA -0.085 4.234 4.320 -0.002 0.000 0.204 115 K C 1.641 178.133 176.600 -0.181 0.000 1.051 115 K CA 0.922 57.106 56.287 -0.171 0.000 0.949 115 K CB 0.280 32.662 32.500 -0.196 0.000 0.726 115 K HN 0.123 nan 8.250 nan 0.000 0.443 116 E N 0.795 120.858 120.200 -0.228 0.000 2.216 116 E HA -0.082 4.267 4.350 -0.002 0.000 0.192 116 E C 1.938 178.407 176.600 -0.218 0.000 0.988 116 E CA 0.637 56.871 56.400 -0.276 0.000 0.834 116 E CB 0.147 29.601 29.700 -0.411 0.000 0.772 116 E HN 0.388 nan 8.360 nan 0.000 0.479 117 L N 0.226 121.355 121.223 -0.157 0.000 2.492 117 L HA 0.012 4.351 4.340 -0.002 0.000 0.223 117 L C 2.003 178.832 176.870 -0.069 0.000 1.132 117 L CA 0.319 55.108 54.840 -0.083 0.000 0.850 117 L CB -0.005 42.019 42.059 -0.058 0.000 0.966 117 L HN 0.034 nan 8.230 nan 0.000 0.454 118 L N -0.857 120.313 121.223 -0.087 0.000 2.607 118 L HA 0.259 4.598 4.340 -0.002 0.000 0.228 118 L C 1.413 178.244 176.870 -0.066 0.000 1.123 118 L CA -0.458 54.342 54.840 -0.066 0.000 0.890 118 L CB -0.121 41.897 42.059 -0.068 0.000 1.103 118 L HN 0.107 nan 8.230 nan 0.000 0.468 123 P HA 0.317 nan 4.420 nan 0.000 0.287 123 P C -0.015 177.199 177.300 -0.144 0.000 1.270 123 P CA -0.389 62.629 63.100 -0.137 0.000 0.844 123 P CB 1.374 33.053 31.700 -0.035 0.000 1.068 124 F N 0.195 120.183 119.950 0.063 0.000 2.378 124 F HA 0.206 4.731 4.527 -0.002 0.000 0.319 124 F C 1.749 177.628 175.800 0.131 0.000 1.155 124 F CA -0.225 57.862 58.000 0.144 0.000 1.157 124 F CB 0.771 39.938 39.000 0.279 0.000 1.252 124 F HN 0.280 nan 8.300 nan 0.000 0.550 125 S N 0.926 116.854 115.700 0.380 0.000 2.580 125 S HA 0.193 4.662 4.470 -0.002 0.000 0.274 125 S C 0.695 175.404 174.600 0.183 0.000 1.329 125 S CA -0.799 57.526 58.200 0.207 0.000 1.036 125 S CB 1.328 64.617 63.200 0.147 0.000 0.919 125 S HN 0.704 nan 8.310 nan 0.000 0.515 126 K N 1.567 122.040 120.400 0.122 0.000 2.032 126 K HA -0.111 4.208 4.320 -0.002 0.000 0.209 126 K C 2.447 179.087 176.600 0.068 0.000 1.048 126 K CA 1.485 57.830 56.287 0.097 0.000 0.927 126 K CB -0.584 31.956 32.500 0.067 0.000 0.712 126 K HN 0.659 nan 8.250 nan 0.000 0.441 127 S N 0.513 116.242 115.700 0.048 0.000 2.387 127 S HA -0.194 4.274 4.470 -0.002 0.000 0.230 127 S C 1.993 176.587 174.600 -0.010 0.000 1.035 127 S CA 1.391 59.600 58.200 0.015 0.000 1.014 127 S CB -0.168 63.036 63.200 0.008 0.000 0.836 127 S HN 0.400 nan 8.310 nan 0.000 0.466 128 A N 0.121 122.939 122.820 -0.003 0.000 1.898 128 A HA 0.036 4.355 4.320 -0.002 0.000 0.214 128 A C 2.346 179.819 177.584 -0.185 0.000 1.183 128 A CA 1.833 53.802 52.037 -0.113 0.000 0.622 128 A CB -1.289 17.658 19.000 -0.089 0.000 0.824 128 A HN 0.569 nan 8.150 nan 0.000 0.444 129 T N -0.359 114.195 114.554 0.001 0.000 2.821 129 T HA -0.119 4.229 4.350 -0.002 0.000 0.267 129 T C 1.766 176.472 174.700 0.010 0.000 1.046 129 T CA 1.437 63.594 62.100 0.094 0.000 1.139 129 T CB -0.191 68.833 68.868 0.261 0.000 0.871 129 T HN 0.642 nan 8.240 nan 0.000 0.454 130 E N 0.166 120.366 120.200 -0.000 0.000 2.070 130 E HA -0.275 4.074 4.350 -0.002 0.000 0.197 130 E C 2.061 178.603 176.600 -0.098 0.000 1.004 130 E CA 1.634 58.016 56.400 -0.031 0.000 0.805 130 E CB -0.099 29.594 29.700 -0.013 0.000 0.744 130 E HN 0.642 nan 8.360 nan 0.000 0.451 131 H N -0.680 118.259 119.070 -0.217 0.000 2.326 131 H HA -0.054 4.501 4.556 -0.002 0.000 0.301 131 H C 1.968 177.033 175.328 -0.440 0.000 1.081 131 H CA 1.737 57.580 56.048 -0.341 0.000 1.334 131 H CB -0.150 29.423 29.762 -0.315 0.000 1.385 131 H HN 0.016 nan 8.280 nan 0.000 0.504 132 V N 0.552 120.273 119.914 -0.321 0.000 2.295 132 V HA -0.270 3.848 4.120 -0.002 0.000 0.246 132 V C 2.435 178.343 176.094 -0.310 0.000 1.049 132 V CA 2.341 64.437 62.300 -0.339 0.000 1.024 132 V CB -0.539 31.148 31.823 -0.228 0.000 0.648 132 V HN 0.516 nan 8.190 nan 0.000 0.447 133 Q N -0.481 119.183 119.800 -0.227 0.000 2.230 133 Q HA -0.086 4.252 4.340 -0.002 0.000 0.202 133 Q C 2.187 178.055 176.000 -0.220 0.000 0.963 133 Q CA 1.359 57.021 55.803 -0.235 0.000 0.866 133 Q CB -0.321 28.332 28.738 -0.142 0.000 0.931 133 Q HN 0.700 nan 8.270 nan 0.000 0.452 134 G N -0.332 108.309 108.800 -0.264 0.000 2.421 134 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.216 134 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.216 134 G C 0.992 175.778 174.900 -0.189 0.000 1.171 134 G CA 0.893 45.846 45.100 -0.245 0.000 0.775 134 G HN 0.365 nan 8.290 nan 0.000 0.543 135 H N 0.204 119.090 119.070 -0.306 0.000 2.326 135 H HA 0.095 4.649 4.556 -0.002 0.000 0.301 135 H C 2.726 177.929 175.328 -0.208 0.000 1.081 135 H CA 0.736 56.623 56.048 -0.268 0.000 1.334 135 H CB -0.703 28.858 29.762 -0.336 0.000 1.385 135 H HN 0.225 nan 8.280 nan 0.000 0.504 136 L N -0.056 121.101 121.223 -0.110 0.000 2.042 136 L HA -0.140 4.199 4.340 -0.002 0.000 0.210 136 L C 2.640 179.445 176.870 -0.109 0.000 1.076 136 L CA 1.313 56.069 54.840 -0.141 0.000 0.749 136 L CB -0.683 41.224 42.059 -0.254 0.000 0.893 136 L HN 0.361 nan 8.230 nan 0.000 0.432 137 G N -0.490 108.243 108.800 -0.112 0.000 2.450 137 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.220 137 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.220 137 G C 1.539 176.408 174.900 -0.051 0.000 1.130 137 G CA 0.566 45.619 45.100 -0.079 0.000 0.760 137 G HN 0.355 nan 8.290 nan 0.000 0.557 138 K N 0.013 120.386 120.400 -0.044 0.000 2.404 138 K HA 0.180 4.499 4.320 -0.002 0.000 0.194 138 K C 0.592 177.173 176.600 -0.033 0.000 1.023 138 K CA -0.034 56.233 56.287 -0.032 0.000 1.094 138 K CB 0.265 32.751 32.500 -0.024 0.000 0.841 138 K HN 0.180 nan 8.250 nan 0.000 0.523 139 K N 1.124 121.503 120.400 -0.036 0.000 3.209 139 K HA -0.222 4.096 4.320 -0.002 0.000 0.289 139 K C -0.388 176.192 176.600 -0.034 0.000 1.191 139 K CA 0.895 57.166 56.287 -0.027 0.000 0.851 139 K CB -1.673 30.817 32.500 -0.016 0.000 1.242 139 K HN 0.477 nan 8.250 nan 0.000 0.480 140 Q N 0.494 120.259 119.800 -0.059 0.000 2.278 140 Q HA 0.453 4.792 4.340 -0.002 0.000 0.257 140 Q C -0.069 175.868 176.000 -0.105 0.000 0.928 140 Q CA -0.685 55.061 55.803 -0.095 0.000 0.932 140 Q CB 1.792 30.440 28.738 -0.150 0.000 1.221 140 Q HN 0.171 nan 8.270 nan 0.000 0.434 141 V N 0.138 120.012 119.914 -0.067 0.000 2.454 141 V HA 0.487 4.606 4.120 -0.002 0.000 0.267 141 V C -2.729 173.371 176.094 0.009 0.000 0.993 141 V CA -1.792 60.511 62.300 0.005 0.000 0.836 141 V CB 0.496 32.379 31.823 0.101 0.000 1.055 141 V HN 0.744 nan 8.190 nan 0.000 0.452 142 P HA 0.500 nan 4.420 nan 0.000 0.284 142 P C -2.146 175.222 177.300 0.113 0.000 1.292 142 P CA -1.750 61.345 63.100 -0.008 0.000 0.800 142 P CB 1.183 32.844 31.700 -0.065 0.000 1.188 143 P HA -0.125 nan 4.420 nan 0.000 0.219 143 P C 0.895 178.328 177.300 0.222 0.000 1.150 143 P CA 1.338 64.552 63.100 0.190 0.000 0.814 143 P CB -0.025 31.711 31.700 0.060 0.000 0.787 144 D N 0.228 120.697 120.400 0.115 0.000 2.190 144 D HA -0.169 4.469 4.640 -0.002 0.000 0.200 144 D C 2.046 178.405 176.300 0.099 0.000 0.992 144 D CA 0.753 54.813 54.000 0.100 0.000 0.854 144 D CB -0.551 40.301 40.800 0.086 0.000 0.936 144 D HN 0.017 nan 8.370 nan 0.000 0.462 145 L N 0.480 121.730 121.223 0.044 0.000 2.143 145 L HA -0.282 4.056 4.340 -0.002 0.000 0.231 145 L C 1.567 178.225 176.870 -0.353 0.000 1.106 145 L CA 1.892 56.619 54.840 -0.189 0.000 0.827 145 L CB -0.820 40.960 42.059 -0.466 0.000 0.915 145 L HN -0.017 nan 8.230 nan 0.000 0.448 146 F N -1.731 118.218 119.950 -0.002 0.000 2.664 146 F HA 0.183 4.709 4.527 -0.003 0.000 0.303 146 F C 2.131 177.925 175.800 -0.010 0.000 1.092 146 F CA 0.360 58.349 58.000 -0.019 0.000 1.305 146 F CB -0.363 38.574 39.000 -0.105 0.000 1.054 146 F HN 0.181 nan 8.300 nan 0.000 0.565 147 Q N 1.851 121.720 119.800 0.115 0.000 2.135 147 Q HA -0.116 4.223 4.340 -0.002 0.000 0.204 147 Q C -0.889 175.129 176.000 0.030 0.000 0.981 147 Q CA 1.999 57.847 55.803 0.075 0.000 0.856 147 Q CB -1.312 27.452 28.738 0.044 0.000 0.902 147 Q HN 0.156 nan 8.270 nan 0.000 0.425 148 P HA -0.148 nan 4.420 nan 0.000 0.216 148 P C 0.491 177.751 177.300 -0.067 0.000 1.150 148 P CA 1.328 64.347 63.100 -0.136 0.000 0.837 148 P CB -0.207 31.314 31.700 -0.297 0.000 0.786 149 Y N -1.481 118.821 120.300 0.004 0.000 2.373 149 Y HA -0.107 4.442 4.550 -0.002 0.000 0.293 149 Y C 2.285 178.279 175.900 0.158 0.000 1.129 149 Y CA -0.191 57.878 58.100 -0.052 0.000 1.226 149 Y CB -0.379 38.023 38.460 -0.096 0.000 1.000 149 Y HN -0.113 nan 8.280 nan 0.000 0.549 150 I N 0.662 121.405 120.570 0.288 0.000 2.142 150 I HA -0.272 3.897 4.170 -0.002 0.000 0.240 150 I C 2.017 178.296 176.117 0.269 0.000 1.078 150 I CA 1.698 63.178 61.300 0.299 0.000 1.343 150 I CB -1.047 37.088 38.000 0.224 0.000 1.046 150 I HN 0.330 nan 8.210 nan 0.000 0.405 151 E N 0.530 120.839 120.200 0.182 0.000 2.058 151 E HA -0.236 4.113 4.350 -0.002 0.000 0.194 151 E C 2.044 178.727 176.600 0.139 0.000 0.997 151 E CA 1.345 57.820 56.400 0.125 0.000 0.801 151 E CB -0.095 29.648 29.700 0.072 0.000 0.746 151 E HN 0.524 nan 8.360 nan 0.000 0.450 152 E N 0.278 120.611 120.200 0.220 0.000 2.204 152 E HA -0.149 4.200 4.350 -0.002 0.000 0.194 152 E C 2.137 178.912 176.600 0.292 0.000 0.989 152 E CA 0.562 57.130 56.400 0.279 0.000 0.824 152 E CB -0.041 29.935 29.700 0.461 0.000 0.756 152 E HN 0.323 nan 8.360 nan 0.000 0.477 153 I N 0.760 121.548 120.570 0.363 0.000 2.179 153 I HA -0.317 3.852 4.170 -0.002 0.000 0.242 153 I C 2.469 178.637 176.117 0.084 0.000 1.088 153 I CA 0.832 62.310 61.300 0.296 0.000 1.357 153 I CB -0.257 37.991 38.000 0.413 0.000 1.051 153 I HN 0.209 nan 8.210 nan 0.000 0.409 154 C N 0.060 119.367 119.300 0.012 0.000 2.413 154 C HA -0.202 4.257 4.460 -0.002 0.000 0.276 154 C C 2.833 177.604 174.990 -0.365 0.000 1.248 154 C CA 1.052 59.917 59.018 -0.255 0.000 1.742 154 C CB -1.095 26.552 27.740 -0.155 0.000 2.017 154 C HN 0.546 nan 8.230 nan 0.000 0.481 155 Q N 1.998 121.699 119.800 -0.164 0.000 2.133 155 Q HA -0.182 4.156 4.340 -0.002 0.000 0.208 155 Q C 1.748 177.657 176.000 -0.152 0.000 0.991 155 Q CA 2.050 57.767 55.803 -0.144 0.000 0.867 155 Q CB -0.590 28.123 28.738 -0.041 0.000 0.911 155 Q HN 0.657 nan 8.270 nan 0.000 0.417 156 N N -0.813 117.834 118.700 -0.088 0.000 2.416 156 N HA 0.006 4.745 4.740 -0.002 0.000 0.177 156 N C 1.530 177.013 175.510 -0.045 0.000 1.036 156 N CA 0.781 53.805 53.050 -0.044 0.000 0.901 156 N CB 0.133 38.637 38.487 0.029 0.000 0.976 156 N HN 0.323 nan 8.380 nan 0.000 0.444 157 L N 1.181 122.317 121.223 -0.145 0.000 2.270 157 L HA 0.025 4.363 4.340 -0.002 0.000 0.210 157 L C 2.348 179.037 176.870 -0.302 0.000 1.104 157 L CA 0.545 55.329 54.840 -0.095 0.000 0.804 157 L CB -0.102 41.930 42.059 -0.046 0.000 0.937 157 L HN 0.169 nan 8.230 nan 0.000 0.450 158 R N 0.038 120.073 120.500 -0.775 0.000 2.297 158 R HA 0.091 4.430 4.340 -0.002 0.000 0.197 158 R C 1.426 177.619 176.300 -0.179 0.000 0.943 158 R CA 0.661 56.278 56.100 -0.805 0.000 1.038 158 R CB -0.228 29.377 30.300 -1.159 0.000 0.957 158 R HN 0.152 nan 8.270 nan 0.000 0.484 159 G N 1.610 110.364 108.800 -0.078 0.000 3.056 159 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.175 159 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.175 159 G C 0.075 175.048 174.900 0.121 0.000 1.894 159 G CA 0.467 45.578 45.100 0.018 0.000 0.910 159 G HN 0.121 nan 8.290 nan 0.000 0.462 160 D N -0.798 119.663 120.400 0.101 0.000 2.183 160 D HA -0.034 4.605 4.640 -0.002 0.000 0.203 160 D C 2.651 179.065 176.300 0.189 0.000 0.969 160 D CA 0.379 54.454 54.000 0.124 0.000 0.842 160 D CB 0.043 40.896 40.800 0.089 0.000 0.957 160 D HN 0.057 nan 8.370 nan 0.000 0.484 161 V N 0.508 120.554 119.914 0.221 0.000 2.469 161 V HA -0.235 3.884 4.120 -0.002 0.000 0.251 161 V C 1.897 178.281 176.094 0.482 0.000 1.064 161 V CA 1.250 63.742 62.300 0.320 0.000 1.066 161 V CB -0.493 31.505 31.823 0.291 0.000 0.667 161 V HN 0.225 nan 8.190 nan 0.000 0.461 162 F N 0.646 120.787 119.950 0.318 0.000 2.128 162 F HA -0.088 4.437 4.527 -0.002 0.000 0.295 162 F C 2.536 178.508 175.800 0.288 0.000 1.100 162 F CA 1.516 59.760 58.000 0.406 0.000 1.260 162 F CB -0.266 38.907 39.000 0.288 0.000 1.009 162 F HN 0.047 nan 8.300 nan 0.000 0.476 163 Q N 0.854 120.713 119.800 0.098 0.000 2.124 163 Q HA -0.184 4.155 4.340 -0.002 0.000 0.202 163 Q C 2.165 178.097 176.000 -0.114 0.000 0.977 163 Q CA 1.482 57.232 55.803 -0.089 0.000 0.850 163 Q CB -0.424 28.333 28.738 0.032 0.000 0.901 163 Q HN 0.491 nan 8.270 nan 0.000 0.429 164 K N -0.209 120.209 120.400 0.030 0.000 2.147 164 K HA -0.133 4.185 4.320 -0.002 0.000 0.205 164 K C 1.905 178.420 176.600 -0.142 0.000 1.049 164 K CA 1.031 57.351 56.287 0.056 0.000 0.936 164 K CB -0.243 32.407 32.500 0.251 0.000 0.722 164 K HN 0.113 nan 8.250 nan 0.000 0.446 165 F N 1.764 121.487 119.950 -0.378 0.000 2.146 165 F HA -0.163 4.363 4.527 -0.002 0.000 0.298 165 F C 1.740 177.203 175.800 -0.563 0.000 1.096 165 F CA 1.039 58.586 58.000 -0.757 0.000 1.275 165 F CB -0.052 38.773 39.000 -0.293 0.000 1.008 165 F HN -0.146 nan 8.300 nan 0.000 0.480 166 I N 0.967 121.017 120.570 -0.866 0.000 2.226 166 I HA -0.250 3.919 4.170 -0.002 0.000 0.245 166 I C 2.195 177.988 176.117 -0.539 0.000 1.100 166 I CA 1.454 62.118 61.300 -1.060 0.000 1.374 166 I CB -1.489 35.922 38.000 -0.982 0.000 1.057 166 I HN 0.311 nan 8.210 nan 0.000 0.413 167 E N 0.686 120.674 120.200 -0.353 0.000 2.338 167 E HA -0.083 4.266 4.350 -0.002 0.000 0.197 167 E C 1.028 177.539 176.600 -0.148 0.000 1.007 167 E CA 0.427 56.723 56.400 -0.173 0.000 0.849 167 E CB 0.075 29.714 29.700 -0.102 0.000 0.774 167 E HN 0.509 nan 8.360 nan 0.000 0.506 168 S N 0.725 116.262 115.700 -0.272 0.000 2.652 168 S HA 0.044 4.513 4.470 -0.002 0.000 0.270 168 S C 0.584 175.099 174.600 -0.143 0.000 1.243 168 S CA -0.421 57.655 58.200 -0.207 0.000 0.999 168 S CB 1.379 64.358 63.200 -0.369 0.000 0.973 168 S HN 0.072 nan 8.310 nan 0.000 0.544 169 D N 0.375 120.741 120.400 -0.057 0.000 2.351 169 D HA -0.089 4.550 4.640 -0.002 0.000 0.216 169 D C 1.311 177.631 176.300 0.034 0.000 0.968 169 D CA 0.718 54.711 54.000 -0.012 0.000 0.899 169 D CB 0.010 40.805 40.800 -0.009 0.000 0.907 169 D HN 0.325 nan 8.370 nan 0.000 0.514 170 K N -0.386 120.048 120.400 0.056 0.000 2.243 170 K HA 0.012 4.331 4.320 -0.002 0.000 0.201 170 K C 1.492 178.213 176.600 0.201 0.000 1.051 170 K CA 0.213 56.631 56.287 0.219 0.000 0.970 170 K CB -0.444 32.312 32.500 0.427 0.000 0.755 170 K HN 0.272 nan 8.250 nan 0.000 0.465 171 F N 2.644 122.386 119.950 -0.347 0.000 2.163 171 F HA -0.135 4.390 4.527 -0.002 0.000 0.297 171 F C 1.926 177.721 175.800 -0.008 0.000 1.094 171 F CA 1.316 59.109 58.000 -0.345 0.000 1.290 171 F CB -0.483 38.072 39.000 -0.742 0.000 1.017 171 F HN -0.067 nan 8.300 nan 0.000 0.483 172 T N 0.402 114.893 114.554 -0.105 0.000 2.699 172 T HA -0.278 4.070 4.350 -0.002 0.000 0.268 172 T C 1.995 176.646 174.700 -0.082 0.000 1.036 172 T CA 1.870 63.892 62.100 -0.129 0.000 1.147 172 T CB -0.345 68.500 68.868 -0.038 0.000 0.862 172 T HN 0.076 nan 8.240 nan 0.000 0.446 173 R N 0.624 121.155 120.500 0.052 0.000 2.115 173 R HA 0.132 4.471 4.340 -0.002 0.000 0.226 173 R C 1.944 178.438 176.300 0.324 0.000 1.100 173 R CA 0.995 57.192 56.100 0.161 0.000 0.980 173 R CB -1.101 29.348 30.300 0.247 0.000 0.875 173 R HN 0.523 nan 8.270 nan 0.000 0.445 174 F N -0.301 119.751 119.950 0.170 0.000 2.126 174 F HA -0.292 4.234 4.527 -0.002 0.000 0.299 174 F C 1.862 177.709 175.800 0.079 0.000 1.096 174 F CA 1.678 59.810 58.000 0.221 0.000 1.255 174 F CB -0.188 38.943 39.000 0.217 0.000 0.997 174 F HN 0.070 nan 8.300 nan 0.000 0.479 175 C N 0.412 119.516 119.300 -0.326 0.000 2.440 175 C HA -0.143 4.315 4.460 -0.002 0.000 0.278 175 C C 2.609 177.436 174.990 -0.273 0.000 1.295 175 C CA 0.906 59.656 59.018 -0.446 0.000 1.738 175 C CB -1.311 26.149 27.740 -0.468 0.000 1.987 175 C HN 0.558 nan 8.230 nan 0.000 0.492 176 Q N -0.708 118.983 119.800 -0.183 0.000 2.061 176 Q HA -0.257 4.082 4.340 -0.002 0.000 0.204 176 Q C 2.013 177.887 176.000 -0.210 0.000 0.984 176 Q CA 2.091 57.767 55.803 -0.211 0.000 0.846 176 Q CB -0.194 28.394 28.738 -0.250 0.000 0.902 176 Q HN 0.821 nan 8.270 nan 0.000 0.421 177 W N 0.357 121.639 121.300 -0.030 0.000 2.418 177 W HA -0.108 4.551 4.660 -0.002 0.000 0.292 177 W C 2.344 178.841 176.519 -0.038 0.000 1.213 177 W CA 0.557 57.957 57.345 0.091 0.000 1.283 177 W CB 0.147 29.767 29.460 0.266 0.000 1.119 177 W HN 0.018 nan 8.180 nan 0.000 0.542 178 K N 0.777 121.133 120.400 -0.074 0.000 2.097 178 K HA -0.162 4.156 4.320 -0.002 0.000 0.205 178 K C 1.809 178.257 176.600 -0.253 0.000 1.050 178 K CA 1.294 57.427 56.287 -0.257 0.000 0.938 178 K CB -0.687 31.476 32.500 -0.562 0.000 0.718 178 K HN 0.005 nan 8.250 nan 0.000 0.442 179 N N 0.163 118.716 118.700 -0.244 0.000 2.069 179 N HA -0.169 4.569 4.740 -0.002 0.000 0.191 179 N C 1.523 176.889 175.510 -0.240 0.000 1.031 179 N CA 1.944 54.842 53.050 -0.253 0.000 0.852 179 N CB -0.016 38.341 38.487 -0.216 0.000 1.018 179 N HN 0.028 nan 8.380 nan 0.000 0.423 180 V N 1.434 121.244 119.914 -0.173 0.000 2.392 180 V HA -0.184 3.934 4.120 -0.002 0.000 0.249 180 V C 2.463 178.328 176.094 -0.382 0.000 1.059 180 V CA 1.909 64.115 62.300 -0.156 0.000 1.051 180 V CB -0.703 31.167 31.823 0.078 0.000 0.658 180 V HN 0.423 nan 8.190 nan 0.000 0.455 181 E N 0.131 119.985 120.200 -0.576 0.000 2.077 181 E HA -0.180 4.169 4.350 -0.002 0.000 0.193 181 E C 1.872 178.120 176.600 -0.586 0.000 0.989 181 E CA 1.189 57.001 56.400 -0.981 0.000 0.800 181 E CB -0.061 29.173 29.700 -0.775 0.000 0.746 181 E HN 0.585 nan 8.360 nan 0.000 0.452 182 L N 0.758 121.737 121.223 -0.407 0.000 2.611 182 L HA 0.099 4.437 4.340 -0.002 0.000 0.229 182 L C 1.267 177.944 176.870 -0.322 0.000 1.137 182 L CA -0.077 54.571 54.840 -0.319 0.000 0.901 182 L CB 0.119 41.996 42.059 -0.303 0.000 1.098 182 L HN 0.045 nan 8.230 nan 0.000 0.456 183 N N 0.228 118.705 118.700 -0.372 0.000 2.235 183 N HA 0.192 4.931 4.740 -0.002 0.000 0.231 183 N C 0.133 175.270 175.510 -0.622 0.000 1.177 183 N CA -0.157 52.652 53.050 -0.402 0.000 0.874 183 N CB 0.394 38.733 38.487 -0.247 0.000 1.097 183 N HN 0.101 nan 8.380 nan 0.000 0.518 184 I N 2.244 122.473 120.570 -0.568 0.000 2.483 184 I HA -0.002 4.167 4.170 -0.002 0.000 0.291 184 I C -0.221 175.565 176.117 -0.552 0.000 1.112 184 I CA 0.242 61.261 61.300 -0.469 0.000 1.350 184 I CB 0.030 37.828 38.000 -0.336 0.000 1.419 184 I HN 0.099 nan 8.210 nan 0.000 0.523 185 H N 7.806 126.790 119.070 -0.143 0.000 2.638 185 H HA 0.470 5.025 4.556 -0.002 0.000 0.317 185 H C -0.461 174.736 175.328 -0.218 0.000 1.006 185 H CA -0.592 55.377 56.048 -0.131 0.000 1.222 185 H CB 1.496 31.196 29.762 -0.103 0.000 1.419 185 H HN 0.419 nan 8.280 nan 0.000 0.489 186 L N 2.860 123.958 121.223 -0.209 0.000 2.322 186 L HA 0.484 4.823 4.340 -0.002 0.000 0.279 186 L C 0.588 177.127 176.870 -0.551 0.000 1.036 186 L CA -0.451 54.042 54.840 -0.578 0.000 0.807 186 L CB 1.813 43.240 42.059 -1.053 0.000 1.226 186 L HN 0.681 nan 8.230 nan 0.000 0.433 187 T N -1.830 112.481 114.554 -0.405 0.000 2.754 187 T HA 0.345 4.694 4.350 -0.002 0.000 0.296 187 T C 0.567 175.385 174.700 0.197 0.000 1.205 187 T CA -0.928 61.186 62.100 0.022 0.000 1.009 187 T CB 1.230 70.106 68.868 0.013 0.000 1.368 187 T HN 0.288 nan 8.240 nan 0.000 0.509 188 M N 0.815 120.582 119.600 0.279 0.000 2.476 188 M HA 0.086 4.565 4.480 -0.002 0.000 0.262 188 M C 1.708 178.090 176.300 0.135 0.000 1.079 188 M CA 0.790 56.247 55.300 0.261 0.000 1.104 188 M CB -1.784 30.900 32.600 0.140 0.000 1.409 188 M HN 0.640 nan 8.290 nan 0.000 0.467 189 N N 0.812 119.541 118.700 0.048 0.000 2.166 189 N HA -0.171 4.567 4.740 -0.002 0.000 0.186 189 N C 0.868 176.337 175.510 -0.068 0.000 1.019 189 N CA 1.120 54.162 53.050 -0.013 0.000 0.856 189 N CB -0.002 38.461 38.487 -0.040 0.000 0.993 189 N HN 0.376 nan 8.380 nan 0.000 0.426 190 D N -0.073 120.234 120.400 -0.155 0.000 2.269 190 D HA -0.027 4.611 4.640 -0.002 0.000 0.208 190 D C -0.084 175.905 176.300 -0.520 0.000 0.963 190 D CA 0.915 54.678 54.000 -0.394 0.000 0.864 190 D CB 0.048 40.460 40.800 -0.646 0.000 0.936 190 D HN 0.132 nan 8.370 nan 0.000 0.505 191 F N 0.025 119.941 119.950 -0.056 0.000 2.480 191 F HA 0.315 4.841 4.527 -0.002 0.000 0.329 191 F C 0.630 176.392 175.800 -0.063 0.000 1.091 191 F CA -0.899 57.078 58.000 -0.037 0.000 0.972 191 F CB 1.902 40.901 39.000 -0.003 0.000 1.150 191 F HN -0.450 nan 8.300 nan 0.000 0.467 192 S N 2.498 118.247 115.700 0.082 0.000 2.474 192 S HA 0.522 4.991 4.470 -0.002 0.000 0.320 192 S C -0.610 173.816 174.600 -0.291 0.000 1.067 192 S CA -0.557 57.611 58.200 -0.052 0.000 1.127 192 S CB 0.044 63.238 63.200 -0.010 0.000 0.971 192 S HN 0.358 nan 8.310 nan 0.000 0.472 193 V N 6.373 126.164 119.914 -0.205 0.000 2.686 193 V HA 0.301 4.419 4.120 -0.002 0.000 0.295 193 V C 0.709 176.676 176.094 -0.212 0.000 1.055 193 V CA -0.116 62.034 62.300 -0.250 0.000 1.050 193 V CB 0.998 32.675 31.823 -0.243 0.000 0.984 193 V HN 0.836 nan 8.190 nan 0.000 0.482 194 H N 2.909 122.040 119.070 0.102 0.000 2.772 194 H HA 0.479 5.034 4.556 -0.002 0.000 0.222 194 H C 0.422 175.835 175.328 0.143 0.000 1.135 194 H CA 0.076 56.187 56.048 0.106 0.000 1.513 194 H CB 0.459 30.280 29.762 0.098 0.000 1.377 194 H HN 0.415 nan 8.280 nan 0.000 0.524 195 R N 0.522 121.211 120.500 0.314 0.000 2.854 195 R HA 0.432 4.771 4.340 -0.002 0.000 0.271 195 R C -0.723 175.693 176.300 0.194 0.000 0.994 195 R CA -0.989 55.243 56.100 0.220 0.000 0.945 195 R CB 2.234 32.616 30.300 0.136 0.000 1.194 195 R HN 0.015 nan 8.270 nan 0.000 0.476 196 I N 2.803 123.416 120.570 0.072 0.000 2.575 196 I HA 0.139 4.308 4.170 -0.002 0.000 0.285 196 I C 1.156 177.216 176.117 -0.095 0.000 1.085 196 I CA 0.330 61.545 61.300 -0.141 0.000 1.403 196 I CB 0.514 38.400 38.000 -0.190 0.000 1.409 196 I HN 0.596 nan 8.210 nan 0.000 0.557 197 I N 2.055 122.545 120.570 -0.134 0.000 3.114 197 I HA 0.763 4.931 4.170 -0.002 0.000 0.326 197 I C 0.015 176.071 176.117 -0.102 0.000 1.510 197 I CA -0.270 60.978 61.300 -0.086 0.000 0.918 197 I CB 0.508 38.490 38.000 -0.030 0.000 1.561 197 I HN 0.667 nan 8.210 nan 0.000 0.565 198 G N 1.383 110.099 108.800 -0.139 0.000 2.238 198 G HA2 0.288 4.246 3.960 -0.002 0.000 0.276 198 G HA3 0.288 4.246 3.960 -0.002 0.000 0.276 198 G C -1.405 173.411 174.900 -0.140 0.000 1.744 198 G CA -1.045 43.985 45.100 -0.117 0.000 0.912 198 G HN 0.261 nan 8.290 nan 0.000 0.744 199 R N -0.025 120.411 120.500 -0.107 0.000 2.782 199 R HA 0.898 5.237 4.340 -0.002 0.000 0.258 199 R C 0.711 176.958 176.300 -0.089 0.000 1.055 199 R CA 0.079 56.119 56.100 -0.099 0.000 1.065 199 R CB 2.010 32.262 30.300 -0.079 0.000 1.172 199 R HN 1.000 nan 8.270 nan 0.000 0.510 200 G N -1.148 107.597 108.800 -0.092 0.000 2.753 200 G HA2 0.358 4.317 3.960 -0.002 0.000 0.303 200 G HA3 0.358 4.317 3.960 -0.002 0.000 0.303 200 G C 0.006 174.807 174.900 -0.166 0.000 1.242 200 G CA -0.170 44.852 45.100 -0.129 0.000 0.810 200 G HN 0.574 nan 8.290 nan 0.000 0.515 201 G N -0.821 107.789 108.800 -0.317 0.000 2.447 201 G HA2 0.185 4.144 3.960 -0.002 0.000 0.211 201 G HA3 0.185 4.144 3.960 -0.002 0.000 0.211 201 G C 1.210 175.954 174.900 -0.260 0.000 1.184 201 G CA 0.602 45.454 45.100 -0.413 0.000 0.813 201 G HN 0.360 nan 8.290 nan 0.000 0.540 202 F N 0.610 120.569 119.950 0.014 0.000 2.698 202 F HA 0.421 4.947 4.527 -0.002 0.000 0.295 202 F C 1.516 177.326 175.800 0.016 0.000 1.124 202 F CA 0.053 58.064 58.000 0.018 0.000 1.426 202 F CB 0.701 39.718 39.000 0.027 0.000 1.120 202 F HN 0.384 nan 8.300 nan 0.000 0.583 203 G N 0.193 109.070 108.800 0.128 0.000 2.494 203 G HA2 0.443 4.401 3.960 -0.002 0.000 0.308 203 G HA3 0.443 4.401 3.960 -0.002 0.000 0.308 203 G C -1.921 172.993 174.900 0.024 0.000 1.263 203 G CA -0.788 44.368 45.100 0.093 0.000 0.840 203 G HN -0.052 nan 8.290 nan 0.000 0.479 204 E N -0.136 120.073 120.200 0.016 0.000 2.292 204 E HA 0.541 4.890 4.350 -0.002 0.000 0.272 204 E C -1.145 175.347 176.600 -0.180 0.000 0.881 204 E CA -0.769 55.553 56.400 -0.130 0.000 0.754 204 E CB 2.284 31.832 29.700 -0.254 0.000 1.201 204 E HN 0.347 nan 8.360 nan 0.000 0.425 205 V N 3.070 122.876 119.914 -0.181 0.000 2.614 205 V HA 0.197 4.316 4.120 -0.002 0.000 0.291 205 V C -0.646 175.297 176.094 -0.251 0.000 1.049 205 V CA 0.090 62.334 62.300 -0.094 0.000 1.038 205 V CB -0.347 31.454 31.823 -0.037 0.000 0.980 205 V HN 0.586 nan 8.190 nan 0.000 0.481 206 Y N 1.456 121.771 120.300 0.024 0.000 2.686 206 Y HA 0.770 5.319 4.550 -0.002 0.000 0.330 206 Y C 0.709 176.639 175.900 0.051 0.000 1.082 206 Y CA -0.665 57.453 58.100 0.031 0.000 1.158 206 Y CB 1.783 40.252 38.460 0.015 0.000 1.333 206 Y HN 0.672 nan 8.280 nan 0.000 0.519 207 G N -0.280 108.678 108.800 0.263 0.000 2.461 207 G HA2 0.600 4.559 3.960 -0.002 0.000 0.323 207 G HA3 0.600 4.559 3.960 -0.002 0.000 0.323 207 G C -1.371 173.642 174.900 0.189 0.000 1.229 207 G CA -0.646 44.581 45.100 0.212 0.000 0.941 207 G HN 0.977 nan 8.290 nan 0.000 0.477 208 C N 0.682 120.081 119.300 0.165 0.000 3.311 208 C HA 0.875 5.333 4.460 -0.002 0.000 0.325 208 C C -0.607 174.489 174.990 0.177 0.000 1.352 208 C CA -1.345 57.694 59.018 0.037 0.000 1.308 208 C CB 1.402 29.164 27.740 0.036 0.000 1.619 208 C HN 0.964 nan 8.230 nan 0.000 0.469 209 R N 1.014 121.583 120.500 0.116 0.000 2.589 209 R HA 0.576 4.914 4.340 -0.002 0.000 0.293 209 R C -0.668 175.796 176.300 0.274 0.000 0.963 209 R CA -0.382 55.851 56.100 0.223 0.000 0.905 209 R CB 1.222 31.648 30.300 0.211 0.000 1.144 209 R HN 0.896 nan 8.270 nan 0.000 0.459 210 K N 2.969 123.543 120.400 0.289 0.000 2.284 210 K HA 0.202 4.520 4.320 -0.002 0.000 0.287 210 K C 0.565 177.150 176.600 -0.024 0.000 1.081 210 K CA 0.088 56.420 56.287 0.075 0.000 0.910 210 K CB 1.219 33.829 32.500 0.183 0.000 1.088 210 K HN 0.747 nan 8.250 nan 0.000 0.478 211 A N 3.701 126.448 122.820 -0.120 0.000 2.019 211 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 211 A C 1.646 179.192 177.584 -0.063 0.000 1.164 211 A CA 1.812 53.807 52.037 -0.070 0.000 0.644 211 A CB -0.439 18.508 19.000 -0.088 0.000 0.805 211 A HN 0.990 nan 8.150 nan 0.000 0.449 212 D N -0.390 119.948 120.400 -0.104 0.000 2.092 212 D HA -0.145 4.493 4.640 -0.002 0.000 0.193 212 D C 2.168 178.476 176.300 0.013 0.000 0.994 212 D CA 2.536 56.507 54.000 -0.048 0.000 0.828 212 D CB 0.003 40.767 40.800 -0.060 0.000 0.963 212 D HN 0.498 nan 8.370 nan 0.000 0.450 213 T N -4.703 109.867 114.554 0.027 0.000 2.990 213 T HA 0.332 4.681 4.350 -0.002 0.000 0.249 213 T C 1.473 176.194 174.700 0.034 0.000 1.039 213 T CA 0.550 62.674 62.100 0.040 0.000 1.036 213 T CB 0.561 69.454 68.868 0.042 0.000 0.994 213 T HN 0.262 nan 8.240 nan 0.000 0.489 214 G N 1.636 110.461 108.800 0.042 0.000 2.248 214 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.263 214 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.263 214 G C -0.251 174.674 174.900 0.041 0.000 1.082 214 G CA 0.114 45.243 45.100 0.048 0.000 0.863 214 G HN 0.836 nan 8.290 nan 0.000 0.495 215 K N 0.370 120.801 120.400 0.052 0.000 2.156 215 K HA 0.713 5.032 4.320 -0.002 0.000 0.271 215 K C 0.873 177.449 176.600 -0.040 0.000 0.995 215 K CA -0.964 55.299 56.287 -0.039 0.000 0.890 215 K CB 0.395 32.845 32.500 -0.083 0.000 1.073 215 K HN 0.051 nan 8.250 nan 0.000 0.454 216 M N 4.773 124.301 119.600 -0.120 0.000 2.162 216 M HA 0.235 4.714 4.480 -0.002 0.000 0.356 216 M C -0.788 175.427 176.300 -0.141 0.000 1.303 216 M CA 0.086 55.366 55.300 -0.033 0.000 1.116 216 M CB -0.020 32.576 32.600 -0.006 0.000 1.632 216 M HN 0.627 nan 8.290 nan 0.000 0.469 217 Y N 0.077 120.473 120.300 0.161 0.000 2.669 217 Y HA 0.696 5.244 4.550 -0.002 0.000 0.335 217 Y C -0.367 175.611 175.900 0.130 0.000 1.116 217 Y CA -1.319 56.877 58.100 0.159 0.000 1.081 217 Y CB 2.023 40.617 38.460 0.222 0.000 1.297 217 Y HN 0.650 nan 8.280 nan 0.000 0.484 218 A N 2.028 125.054 122.820 0.343 0.000 2.304 218 A HA 0.622 4.940 4.320 -0.002 0.000 0.314 218 A C -1.023 176.655 177.584 0.158 0.000 1.187 218 A CA -0.593 51.570 52.037 0.210 0.000 0.810 218 A CB 0.713 19.812 19.000 0.165 0.000 1.183 218 A HN 0.766 nan 8.150 nan 0.000 0.487 219 M N 2.534 122.206 119.600 0.121 0.000 2.274 219 M HA 0.445 4.924 4.480 -0.002 0.000 0.344 219 M C -0.098 176.295 176.300 0.156 0.000 1.161 219 M CA -0.052 55.283 55.300 0.059 0.000 1.126 219 M CB 0.889 33.457 32.600 -0.054 0.000 1.522 219 M HN 0.613 nan 8.290 nan 0.000 0.461 220 K N 4.295 124.793 120.400 0.163 0.000 2.621 220 K HA 0.379 4.697 4.320 -0.002 0.000 0.233 220 K C -2.126 174.602 176.600 0.215 0.000 0.972 220 K CA -0.587 55.827 56.287 0.211 0.000 0.988 220 K CB 0.850 33.488 32.500 0.231 0.000 1.187 220 K HN 0.755 nan 8.250 nan 0.000 0.471 221 C N 5.536 124.941 119.300 0.175 0.000 2.225 221 C HA 0.394 4.853 4.460 -0.002 0.000 0.328 221 C C -0.532 174.519 174.990 0.102 0.000 1.187 221 C CA -0.887 58.181 59.018 0.084 0.000 1.665 221 C CB -0.834 26.951 27.740 0.075 0.000 2.253 221 C HN 0.641 nan 8.230 nan 0.000 0.497 222 L N 3.751 125.016 121.223 0.070 0.000 2.265 222 L HA 0.329 4.668 4.340 -0.002 0.000 0.288 222 L C 0.256 177.120 176.870 -0.011 0.000 1.058 222 L CA 0.318 55.213 54.840 0.092 0.000 0.809 222 L CB 0.359 42.502 42.059 0.141 0.000 1.179 222 L HN 0.557 nan 8.230 nan 0.000 0.429 223 D N 1.848 122.271 120.400 0.037 0.000 2.348 223 D HA 0.104 4.742 4.640 -0.002 0.000 0.253 223 D C 0.957 177.233 176.300 -0.041 0.000 1.161 223 D CA 0.099 54.097 54.000 -0.004 0.000 0.876 223 D CB 0.999 41.822 40.800 0.037 0.000 1.160 223 D HN 0.406 nan 8.370 nan 0.000 0.459 224 K N 2.250 122.599 120.400 -0.086 0.000 2.211 224 K HA -0.087 4.232 4.320 -0.002 0.000 0.203 224 K C 1.451 178.033 176.600 -0.029 0.000 1.050 224 K CA 0.829 57.062 56.287 -0.091 0.000 0.945 224 K CB 0.213 32.655 32.500 -0.097 0.000 0.732 224 K HN 0.391 nan 8.250 nan 0.000 0.451 225 K N 0.422 120.816 120.400 -0.011 0.000 2.217 225 K HA -0.060 4.258 4.320 -0.002 0.000 0.202 225 K C 2.078 178.691 176.600 0.023 0.000 1.051 225 K CA 0.812 57.104 56.287 0.008 0.000 0.952 225 K CB 0.052 32.559 32.500 0.011 0.000 0.736 225 K HN 0.099 nan 8.250 nan 0.000 0.453 226 R N 0.613 121.136 120.500 0.039 0.000 2.075 226 R HA 0.054 4.393 4.340 -0.002 0.000 0.226 226 R C 2.272 178.613 176.300 0.067 0.000 1.114 226 R CA 0.887 57.043 56.100 0.093 0.000 0.972 226 R CB -0.169 30.230 30.300 0.164 0.000 0.869 226 R HN 0.132 nan 8.270 nan 0.000 0.437 227 I N 0.909 121.442 120.570 -0.062 0.000 2.394 227 I HA -0.254 3.914 4.170 -0.002 0.000 0.251 227 I C 2.491 178.525 176.117 -0.139 0.000 1.136 227 I CA 1.174 62.305 61.300 -0.281 0.000 1.425 227 I CB -0.149 37.655 38.000 -0.326 0.000 1.079 227 I HN 0.120 nan 8.210 nan 0.000 0.425 228 K N 0.991 121.364 120.400 -0.046 0.000 2.217 228 K HA -0.132 4.186 4.320 -0.002 0.000 0.202 228 K C 2.189 178.788 176.600 -0.001 0.000 1.051 228 K CA 1.047 57.322 56.287 -0.019 0.000 0.952 228 K CB 0.039 32.539 32.500 -0.001 0.000 0.736 228 K HN 0.196 nan 8.250 nan 0.000 0.453 229 M N 0.113 119.724 119.600 0.019 0.000 2.492 229 M HA -0.043 4.436 4.480 -0.002 0.000 0.262 229 M C 0.506 176.844 176.300 0.063 0.000 1.090 229 M CA 1.197 56.522 55.300 0.042 0.000 1.110 229 M CB 0.477 33.110 32.600 0.054 0.000 1.407 229 M HN -0.091 nan 8.290 nan 0.000 0.470 230 K N 0.003 120.448 120.400 0.074 0.000 2.402 230 K HA 0.196 4.515 4.320 -0.002 0.000 0.204 230 K C -0.113 176.533 176.600 0.076 0.000 1.056 230 K CA 0.098 56.462 56.287 0.129 0.000 1.069 230 K CB 0.530 33.231 32.500 0.335 0.000 0.888 230 K HN 0.388 nan 8.250 nan 0.000 0.546 231 Q N 0.075 119.882 119.800 0.012 0.000 2.453 231 Q HA -0.153 4.185 4.340 -0.002 0.000 0.294 231 Q C 0.343 176.327 176.000 -0.028 0.000 1.295 231 Q CA 0.628 56.426 55.803 -0.009 0.000 0.853 231 Q CB -1.960 26.786 28.738 0.014 0.000 1.193 231 Q HN 0.431 nan 8.270 nan 0.000 0.461 232 G N -0.110 108.611 108.800 -0.132 0.000 3.741 232 G HA2 0.203 4.162 3.960 -0.002 0.000 0.263 232 G HA3 0.203 4.162 3.960 -0.002 0.000 0.263 232 G C 0.634 175.440 174.900 -0.156 0.000 1.175 232 G CA -0.212 44.761 45.100 -0.212 0.000 1.642 232 G HN 0.398 nan 8.290 nan 0.000 0.644 233 E N -0.223 119.938 120.200 -0.065 0.000 2.030 233 E HA -0.065 4.283 4.350 -0.002 0.000 0.189 233 E C 2.253 178.853 176.600 0.000 0.000 0.974 233 E CA 1.111 57.484 56.400 -0.045 0.000 0.807 233 E CB 0.073 29.726 29.700 -0.079 0.000 0.771 233 E HN 0.267 nan 8.360 nan 0.000 0.451 234 T N 1.898 116.455 114.554 0.004 0.000 2.951 234 T HA -0.075 4.273 4.350 -0.002 0.000 0.268 234 T C 1.773 176.511 174.700 0.063 0.000 1.073 234 T CA 0.445 62.563 62.100 0.030 0.000 1.134 234 T CB -0.073 68.807 68.868 0.019 0.000 0.884 234 T HN -0.029 nan 8.240 nan 0.000 0.479 235 L N 1.706 122.968 121.223 0.065 0.000 2.027 235 L HA 0.185 4.524 4.340 -0.002 0.000 0.206 235 L C 2.557 179.509 176.870 0.138 0.000 1.074 235 L CA 1.803 56.703 54.840 0.100 0.000 0.745 235 L CB -1.141 40.996 42.059 0.130 0.000 0.898 235 L HN 0.201 nan 8.230 nan 0.000 0.433 236 A N -0.920 121.981 122.820 0.134 0.000 1.929 236 A HA -0.121 4.197 4.320 -0.002 0.000 0.216 236 A C 2.155 179.935 177.584 0.326 0.000 1.176 236 A CA 1.532 53.700 52.037 0.219 0.000 0.628 236 A CB -0.903 18.178 19.000 0.135 0.000 0.816 236 A HN 0.443 nan 8.150 nan 0.000 0.444 237 L N 0.561 121.956 121.223 0.286 0.000 2.275 237 L HA -0.072 4.267 4.340 -0.002 0.000 0.215 237 L C 1.778 178.767 176.870 0.199 0.000 1.119 237 L CA 2.162 57.178 54.840 0.295 0.000 0.790 237 L CB -1.019 41.162 42.059 0.203 0.000 0.919 237 L HN 0.541 nan 8.230 nan 0.000 0.443 238 N N -0.270 118.522 118.700 0.154 0.000 2.109 238 N HA -0.245 4.494 4.740 -0.002 0.000 0.188 238 N C 1.928 177.508 175.510 0.117 0.000 1.034 238 N CA 1.509 54.627 53.050 0.113 0.000 0.846 238 N CB -0.177 38.362 38.487 0.088 0.000 1.010 238 N HN 0.481 nan 8.380 nan 0.000 0.425 239 E N 0.199 120.478 120.200 0.131 0.000 2.086 239 E HA -0.307 4.041 4.350 -0.002 0.000 0.200 239 E C 2.080 178.743 176.600 0.105 0.000 1.012 239 E CA 0.984 57.433 56.400 0.081 0.000 0.812 239 E CB -0.100 29.615 29.700 0.026 0.000 0.743 239 E HN 0.214 nan 8.360 nan 0.000 0.453 240 R N 0.513 121.154 120.500 0.236 0.000 2.091 240 R HA -0.151 4.187 4.340 -0.002 0.000 0.238 240 R C 2.227 178.575 176.300 0.080 0.000 1.136 240 R CA 1.236 57.463 56.100 0.213 0.000 0.959 240 R CB -0.373 29.956 30.300 0.048 0.000 0.856 240 R HN 0.338 nan 8.270 nan 0.000 0.437 241 I N 0.649 121.263 120.570 0.073 0.000 2.252 241 I HA -0.261 3.907 4.170 -0.002 0.000 0.245 241 I C 2.369 178.519 176.117 0.054 0.000 1.102 241 I CA 1.023 62.352 61.300 0.049 0.000 1.385 241 I CB -0.805 37.225 38.000 0.051 0.000 1.064 241 I HN 0.137 nan 8.210 nan 0.000 0.414 242 M N 0.157 119.797 119.600 0.066 0.000 2.099 242 M HA -0.136 4.342 4.480 -0.002 0.000 0.262 242 M C 2.537 178.876 176.300 0.064 0.000 1.067 242 M CA 1.539 56.882 55.300 0.071 0.000 1.124 242 M CB -1.274 31.375 32.600 0.082 0.000 1.353 242 M HN 0.165 nan 8.290 nan 0.000 0.410 243 L N -0.507 120.745 121.223 0.050 0.000 2.043 243 L HA -0.261 4.077 4.340 -0.002 0.000 0.212 243 L C 2.779 179.681 176.870 0.053 0.000 1.075 243 L CA 1.494 56.359 54.840 0.042 0.000 0.752 243 L CB -0.680 41.395 42.059 0.027 0.000 0.891 243 L HN 0.359 nan 8.230 nan 0.000 0.432 244 S N -0.205 115.525 115.700 0.050 0.000 2.368 244 S HA -0.136 4.333 4.470 -0.002 0.000 0.225 244 S C 1.941 176.566 174.600 0.041 0.000 1.030 244 S CA 1.127 59.349 58.200 0.037 0.000 0.999 244 S CB -0.177 63.035 63.200 0.019 0.000 0.844 244 S HN 0.326 nan 8.310 nan 0.000 0.459 245 L N 0.891 122.142 121.223 0.046 0.000 2.217 245 L HA 0.018 4.357 4.340 -0.002 0.000 0.211 245 L C 2.080 178.987 176.870 0.062 0.000 1.107 245 L CA 0.638 55.505 54.840 0.046 0.000 0.783 245 L CB -0.191 41.895 42.059 0.045 0.000 0.919 245 L HN 0.253 nan 8.230 nan 0.000 0.442 246 V N -2.622 117.343 119.914 0.085 0.000 3.174 246 V HA -0.025 4.093 4.120 -0.002 0.000 0.254 246 V C 2.179 178.386 176.094 0.189 0.000 1.120 246 V CA 0.910 63.296 62.300 0.143 0.000 1.114 246 V CB 0.480 32.380 31.823 0.129 0.000 0.756 246 V HN 0.255 nan 8.190 nan 0.000 0.467 247 S N 0.434 116.199 115.700 0.108 0.000 2.515 247 S HA -0.037 4.431 4.470 -0.002 0.000 0.231 247 S C 1.222 175.874 174.600 0.088 0.000 0.987 247 S CA 0.887 59.135 58.200 0.078 0.000 0.936 247 S CB -0.303 62.923 63.200 0.044 0.000 0.766 247 S HN 0.828 nan 8.310 nan 0.000 0.528 248 T N -1.151 113.468 114.554 0.108 0.000 2.904 248 T HA 0.555 4.903 4.350 -0.002 0.000 0.290 248 T C 1.209 176.004 174.700 0.158 0.000 1.018 248 T CA 0.171 62.327 62.100 0.094 0.000 1.075 248 T CB 1.348 70.253 68.868 0.061 0.000 0.986 248 T HN 0.344 nan 8.240 nan 0.000 0.523 249 G N 0.964 109.834 108.800 0.117 0.000 2.218 249 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.216 249 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.216 249 G C 0.083 175.061 174.900 0.131 0.000 0.994 249 G CA 0.333 45.525 45.100 0.153 0.000 0.637 249 G HN 1.377 nan 8.290 nan 0.000 0.505 250 D N -0.789 119.647 120.400 0.061 0.000 3.187 250 D HA -0.145 4.494 4.640 -0.002 0.000 0.244 250 D C 0.160 176.431 176.300 -0.048 0.000 1.114 250 D CA 1.382 55.375 54.000 -0.011 0.000 0.920 250 D CB -1.419 39.377 40.800 -0.007 0.000 0.970 250 D HN 1.302 nan 8.370 nan 0.000 0.418 251 C N 4.996 124.182 119.300 -0.190 0.000 2.382 251 C HA 0.782 5.241 4.460 -0.002 0.000 0.327 251 C C -1.219 173.508 174.990 -0.438 0.000 1.250 251 C CA -1.301 57.513 59.018 -0.340 0.000 1.707 251 C CB 1.270 28.542 27.740 -0.780 0.000 2.272 251 C HN 0.478 nan 8.230 nan 0.000 0.506 252 P HA 0.216 nan 4.420 nan 0.000 0.262 252 P C 0.033 176.888 177.300 -0.742 0.000 1.304 252 P CA 0.462 63.065 63.100 -0.829 0.000 0.859 252 P CB -0.059 30.911 31.700 -1.216 0.000 1.310 253 F N -0.105 119.745 119.950 -0.167 0.000 2.724 253 F HA 0.402 4.927 4.527 -0.003 0.000 0.310 253 F C 0.837 176.561 175.800 -0.127 0.000 1.107 253 F CA -0.713 57.218 58.000 -0.116 0.000 1.218 253 F CB 0.335 39.285 39.000 -0.083 0.000 1.042 253 F HN -0.244 nan 8.300 nan 0.000 0.540 254 I N -0.004 120.545 120.570 -0.036 0.000 2.582 254 I HA 0.304 4.473 4.170 -0.002 0.000 0.292 254 I C -0.578 175.508 176.117 -0.051 0.000 1.066 254 I CA -1.303 59.958 61.300 -0.065 0.000 1.053 254 I CB 2.500 40.437 38.000 -0.106 0.000 1.241 254 I HN -0.449 nan 8.210 nan 0.000 0.421 255 V N 4.477 124.378 119.914 -0.022 0.000 2.421 255 V HA 0.019 4.138 4.120 -0.002 0.000 0.271 255 V C 0.169 176.268 176.094 0.008 0.000 1.031 255 V CA 0.135 62.439 62.300 0.007 0.000 1.032 255 V CB 0.054 31.891 31.823 0.024 0.000 1.009 255 V HN 0.765 nan 8.190 nan 0.000 0.477 256 C N 6.059 125.371 119.300 0.020 0.000 2.358 256 C HA 0.600 5.058 4.460 -0.002 0.000 0.354 256 C C 0.404 175.433 174.990 0.065 0.000 1.183 256 C CA -0.804 58.230 59.018 0.027 0.000 2.150 256 C CB 1.429 29.173 27.740 0.006 0.000 2.361 256 C HN 0.901 nan 8.230 nan 0.000 0.535 257 M N 1.379 121.013 119.600 0.056 0.000 2.318 257 M HA 0.253 4.731 4.480 -0.002 0.000 0.347 257 M C 0.546 176.850 176.300 0.007 0.000 1.175 257 M CA 0.213 55.554 55.300 0.069 0.000 1.075 257 M CB 1.432 34.092 32.600 0.100 0.000 1.614 257 M HN 0.827 nan 8.290 nan 0.000 0.456 258 S N 2.501 118.160 115.700 -0.068 0.000 2.545 258 S HA 0.244 4.713 4.470 -0.002 0.000 0.232 258 S C -0.947 173.272 174.600 -0.635 0.000 1.070 258 S CA 0.183 58.167 58.200 -0.360 0.000 0.923 258 S CB 0.391 63.331 63.200 -0.434 0.000 0.806 258 S HN 0.716 nan 8.310 nan 0.000 0.506 259 Y N -0.137 120.201 120.300 0.063 0.000 2.615 259 Y HA 0.760 5.309 4.550 -0.003 0.000 0.341 259 Y C -0.431 175.545 175.900 0.127 0.000 1.089 259 Y CA -1.418 56.745 58.100 0.105 0.000 1.049 259 Y CB 1.483 40.031 38.460 0.146 0.000 1.296 259 Y HN 0.040 nan 8.280 nan 0.000 0.470 260 A N 1.809 124.796 122.820 0.278 0.000 2.488 260 A HA 0.889 5.208 4.320 -0.002 0.000 0.298 260 A C -1.591 176.171 177.584 0.297 0.000 1.044 260 A CA -0.629 51.453 52.037 0.076 0.000 0.693 260 A CB 0.956 19.762 19.000 -0.322 0.000 1.272 260 A HN 0.863 nan 8.150 nan 0.000 0.402 261 F N -0.131 119.895 119.950 0.127 0.000 2.779 261 F HA 0.865 5.390 4.527 -0.003 0.000 0.316 261 F C -0.835 175.139 175.800 0.289 0.000 1.164 261 F CA -0.887 57.275 58.000 0.271 0.000 0.924 261 F CB 1.036 40.142 39.000 0.176 0.000 1.348 261 F HN 0.902 nan 8.300 nan 0.000 0.467 262 H N -1.411 117.697 119.070 0.063 0.000 2.930 262 H HA 0.758 5.312 4.556 -0.002 0.000 0.371 262 H C -1.309 173.994 175.328 -0.042 0.000 1.169 262 H CA -0.618 55.300 56.048 -0.217 0.000 1.157 262 H CB 2.097 31.635 29.762 -0.373 0.000 1.789 262 H HN 0.917 nan 8.280 nan 0.000 0.547 263 T N -0.746 113.680 114.554 -0.213 0.000 2.948 263 T HA 0.289 4.638 4.350 -0.002 0.000 0.285 263 T C -1.885 172.692 174.700 -0.204 0.000 1.019 263 T CA -2.434 59.553 62.100 -0.189 0.000 1.013 263 T CB 1.450 70.267 68.868 -0.085 0.000 1.117 263 T HN 0.400 nan 8.240 nan 0.000 0.533 264 P HA -0.087 nan 4.420 nan 0.000 0.218 264 P C 0.535 177.796 177.300 -0.066 0.000 1.146 264 P CA 1.370 64.413 63.100 -0.095 0.000 0.820 264 P CB -0.049 31.612 31.700 -0.065 0.000 0.778 265 D N -3.636 116.717 120.400 -0.078 0.000 2.527 265 D HA 0.136 4.775 4.640 -0.002 0.000 0.224 265 D C 0.170 176.411 176.300 -0.099 0.000 1.217 265 D CA -0.040 53.920 54.000 -0.067 0.000 0.819 265 D CB 0.196 40.971 40.800 -0.043 0.000 1.061 265 D HN 0.063 nan 8.370 nan 0.000 0.515 266 K N 0.262 120.573 120.400 -0.149 0.000 2.527 266 K HA 0.458 4.776 4.320 -0.002 0.000 0.260 266 K C -0.885 175.522 176.600 -0.321 0.000 0.937 266 K CA -0.705 55.463 56.287 -0.198 0.000 0.826 266 K CB 2.774 35.182 32.500 -0.154 0.000 1.359 266 K HN -0.108 nan 8.250 nan 0.000 0.434 267 L N 0.574 121.547 121.223 -0.417 0.000 2.431 267 L HA 0.555 4.893 4.340 -0.002 0.000 0.260 267 L C 0.068 176.652 176.870 -0.477 0.000 1.098 267 L CA -0.538 53.941 54.840 -0.601 0.000 0.800 267 L CB 1.656 43.254 42.059 -0.768 0.000 1.210 267 L HN 0.558 nan 8.230 nan 0.000 0.465 268 S N 0.145 115.487 115.700 -0.596 0.000 2.563 268 S HA 0.602 5.071 4.470 -0.002 0.000 0.279 268 S C -1.380 172.850 174.600 -0.616 0.000 1.155 268 S CA -0.548 57.280 58.200 -0.620 0.000 0.928 268 S CB 0.674 63.182 63.200 -1.153 0.000 1.107 268 S HN 0.304 nan 8.310 nan 0.000 0.462 269 F N 3.616 123.526 119.950 -0.068 0.000 2.522 269 F HA 0.650 5.176 4.527 -0.002 0.000 0.324 269 F C 0.059 175.856 175.800 -0.006 0.000 1.077 269 F CA -1.017 56.995 58.000 0.020 0.000 0.944 269 F CB 1.344 40.370 39.000 0.045 0.000 1.175 269 F HN 0.309 nan 8.300 nan 0.000 0.468 270 I N 4.929 125.628 120.570 0.215 0.000 2.359 270 I HA 0.369 4.537 4.170 -0.002 0.000 0.284 270 I C -0.467 175.695 176.117 0.074 0.000 1.018 270 I CA -0.308 61.022 61.300 0.050 0.000 1.173 270 I CB 0.554 38.550 38.000 -0.007 0.000 1.326 270 I HN 0.456 nan 8.210 nan 0.000 0.462 271 L N 3.819 125.132 121.223 0.150 0.000 2.304 271 L HA 0.549 4.888 4.340 -0.002 0.000 0.268 271 L C -0.057 176.997 176.870 0.307 0.000 1.010 271 L CA -1.226 53.726 54.840 0.186 0.000 0.813 271 L CB 1.293 43.427 42.059 0.125 0.000 1.315 271 L HN 0.324 nan 8.230 nan 0.000 0.445 272 D N 1.555 122.095 120.400 0.233 0.000 2.455 272 D HA 0.208 4.847 4.640 -0.002 0.000 0.241 272 D C -0.239 176.153 176.300 0.155 0.000 1.138 272 D CA -0.023 54.094 54.000 0.196 0.000 0.877 272 D CB 0.943 41.802 40.800 0.097 0.000 1.187 272 D HN 0.078 nan 8.370 nan 0.000 0.451 273 L N 3.046 124.346 121.223 0.127 0.000 2.371 273 L HA 0.334 4.673 4.340 -0.002 0.000 0.272 273 L C -0.662 176.252 176.870 0.074 0.000 1.124 273 L CA 0.099 55.001 54.840 0.104 0.000 0.816 273 L CB 0.516 42.630 42.059 0.091 0.000 1.129 273 L HN 0.250 nan 8.230 nan 0.000 0.448 274 M N 5.155 124.799 119.600 0.074 0.000 2.182 274 M HA 0.297 4.776 4.480 -0.002 0.000 0.266 274 M C -0.421 175.917 176.300 0.063 0.000 0.989 274 M CA -0.109 55.234 55.300 0.071 0.000 1.003 274 M CB 1.409 34.056 32.600 0.078 0.000 1.812 274 M HN 0.530 nan 8.290 nan 0.000 0.472 275 N N 0.845 119.580 118.700 0.058 0.000 2.276 275 N HA 0.156 4.895 4.740 -0.002 0.000 0.212 275 N C 1.158 176.705 175.510 0.061 0.000 1.127 275 N CA 0.147 53.225 53.050 0.046 0.000 0.834 275 N CB 1.189 39.696 38.487 0.034 0.000 1.014 275 N HN 0.889 nan 8.380 nan 0.000 0.491 276 G N 0.092 108.950 108.800 0.097 0.000 3.159 276 G HA2 0.379 4.338 3.960 -0.002 0.000 0.232 276 G HA3 0.379 4.338 3.960 -0.002 0.000 0.232 276 G C 0.774 175.810 174.900 0.227 0.000 1.116 276 G CA 0.214 45.420 45.100 0.178 0.000 0.767 276 G HN 0.375 nan 8.290 nan 0.000 0.547 277 G N 0.898 109.736 108.800 0.064 0.000 2.846 277 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.660 277 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.660 277 G C -0.406 174.506 174.900 0.021 0.000 1.464 277 G CA -0.194 44.868 45.100 -0.064 0.000 0.891 277 G HN 0.635 nan 8.290 nan 0.000 0.552 278 D N -0.399 119.996 120.400 -0.010 0.000 2.312 278 D HA 0.382 5.020 4.640 -0.002 0.000 0.248 278 D C 1.487 177.857 176.300 0.116 0.000 1.086 278 D CA -0.953 53.087 54.000 0.068 0.000 0.948 278 D CB 1.298 42.139 40.800 0.068 0.000 1.162 278 D HN 0.466 nan 8.370 nan 0.000 0.446 279 L N 0.436 121.723 121.223 0.106 0.000 2.376 279 L HA -0.129 4.210 4.340 -0.002 0.000 0.219 279 L C 2.014 178.969 176.870 0.142 0.000 1.133 279 L CA 1.306 56.194 54.840 0.081 0.000 0.816 279 L CB -0.876 41.100 42.059 -0.138 0.000 0.933 279 L HN 0.619 nan 8.230 nan 0.000 0.449 280 H N -2.003 117.109 119.070 0.069 0.000 2.403 280 H HA -0.212 4.343 4.556 -0.002 0.000 0.298 280 H C 1.987 177.381 175.328 0.110 0.000 1.059 280 H CA 1.746 57.848 56.048 0.089 0.000 1.363 280 H CB 0.042 29.845 29.762 0.069 0.000 1.410 280 H HN 0.492 nan 8.280 nan 0.000 0.528 281 Y N 1.269 121.510 120.300 -0.098 0.000 2.163 281 Y HA -0.196 4.352 4.550 -0.002 0.000 0.288 281 Y C 2.473 178.297 175.900 -0.126 0.000 1.136 281 Y CA 1.838 59.831 58.100 -0.180 0.000 1.147 281 Y CB -0.583 37.758 38.460 -0.199 0.000 0.987 281 Y HN 0.234 nan 8.280 nan 0.000 0.509 282 H N -0.338 118.717 119.070 -0.025 0.000 2.457 282 H HA -0.114 4.440 4.556 -0.002 0.000 0.294 282 H C 2.173 177.483 175.328 -0.031 0.000 1.064 282 H CA 1.467 57.476 56.048 -0.066 0.000 1.330 282 H CB -0.420 29.440 29.762 0.163 0.000 1.395 282 H HN 0.421 nan 8.280 nan 0.000 0.541 283 L N 0.592 121.904 121.223 0.148 0.000 2.131 283 L HA -0.106 4.232 4.340 -0.002 0.000 0.210 283 L C 2.182 179.015 176.870 -0.061 0.000 1.092 283 L CA 1.127 56.046 54.840 0.131 0.000 0.759 283 L CB -0.362 41.807 42.059 0.183 0.000 0.903 283 L HN 0.009 nan 8.230 nan 0.000 0.435 284 S N -0.795 114.788 115.700 -0.195 0.000 2.368 284 S HA -0.138 4.331 4.470 -0.002 0.000 0.224 284 S C 1.777 176.254 174.600 -0.205 0.000 1.029 284 S CA 1.114 59.182 58.200 -0.220 0.000 0.988 284 S CB -0.209 62.819 63.200 -0.287 0.000 0.838 284 S HN 0.529 nan 8.310 nan 0.000 0.462 285 Q N 0.037 119.684 119.800 -0.255 0.000 2.302 285 Q HA 0.092 4.431 4.340 -0.002 0.000 0.202 285 Q C 1.674 177.605 176.000 -0.115 0.000 0.936 285 Q CA 0.872 56.558 55.803 -0.195 0.000 0.886 285 Q CB -0.326 28.269 28.738 -0.239 0.000 0.986 285 Q HN 0.671 nan 8.270 nan 0.000 0.487 286 H N -0.183 118.758 119.070 -0.215 0.000 2.582 286 H HA 0.155 4.710 4.556 -0.002 0.000 0.269 286 H C 0.608 175.735 175.328 -0.334 0.000 0.962 286 H CA 1.110 56.982 56.048 -0.293 0.000 1.230 286 H CB 0.762 30.263 29.762 -0.435 0.000 1.445 286 H HN 0.214 nan 8.280 nan 0.000 0.528 287 G N 0.933 109.589 108.800 -0.241 0.000 2.598 287 G HA2 -0.294 3.664 3.960 -0.002 0.000 0.244 287 G HA3 -0.294 3.664 3.960 -0.002 0.000 0.244 287 G C 0.059 174.839 174.900 -0.199 0.000 1.302 287 G CA 0.278 45.251 45.100 -0.212 0.000 0.903 287 G HN 0.646 nan 8.290 nan 0.000 0.575 288 V N -1.746 118.094 119.914 -0.123 0.000 2.843 288 V HA 0.642 4.760 4.120 -0.002 0.000 0.305 288 V C 0.668 176.746 176.094 -0.027 0.000 1.065 288 V CA -0.274 62.024 62.300 -0.004 0.000 1.116 288 V CB 0.543 32.375 31.823 0.015 0.000 0.968 288 V HN 0.859 nan 8.190 nan 0.000 0.487 289 F N 2.035 122.065 119.950 0.132 0.000 2.403 289 F HA 0.631 5.157 4.527 -0.002 0.000 0.326 289 F C 1.144 176.985 175.800 0.067 0.000 1.081 289 F CA -0.136 57.958 58.000 0.157 0.000 1.041 289 F CB 1.671 40.748 39.000 0.128 0.000 1.234 289 F HN 0.855 nan 8.300 nan 0.000 0.503 290 S N -0.080 115.769 115.700 0.248 0.000 2.645 290 S HA 0.196 4.665 4.470 -0.002 0.000 0.266 290 S C 0.776 175.431 174.600 0.092 0.000 1.258 290 S CA -0.659 57.608 58.200 0.113 0.000 0.990 290 S CB 1.036 64.278 63.200 0.071 0.000 0.967 290 S HN 0.743 nan 8.310 nan 0.000 0.556 291 E N 0.917 121.133 120.200 0.026 0.000 2.051 291 E HA -0.153 4.195 4.350 -0.002 0.000 0.192 291 E C 2.374 179.023 176.600 0.081 0.000 0.991 291 E CA 1.247 57.675 56.400 0.046 0.000 0.799 291 E CB -0.570 29.149 29.700 0.031 0.000 0.748 291 E HN 0.806 nan 8.360 nan 0.000 0.449 292 A N 1.684 124.512 122.820 0.013 0.000 1.986 292 A HA -0.254 4.065 4.320 -0.002 0.000 0.220 292 A C 1.590 179.149 177.584 -0.043 0.000 1.171 292 A CA 2.028 54.035 52.037 -0.050 0.000 0.640 292 A CB -0.328 18.634 19.000 -0.064 0.000 0.811 292 A HN 0.126 nan 8.150 nan 0.000 0.451 293 D N -1.425 118.986 120.400 0.020 0.000 2.216 293 D HA -0.039 4.599 4.640 -0.002 0.000 0.208 293 D C 1.889 178.215 176.300 0.044 0.000 0.960 293 D CA 0.740 54.746 54.000 0.010 0.000 0.861 293 D CB -0.335 40.558 40.800 0.155 0.000 0.985 293 D HN 0.342 nan 8.370 nan 0.000 0.493 294 M N 1.068 120.744 119.600 0.127 0.000 2.175 294 M HA -0.120 4.358 4.480 -0.002 0.000 0.264 294 M C 2.135 178.571 176.300 0.225 0.000 1.063 294 M CA 1.086 56.485 55.300 0.165 0.000 1.119 294 M CB -0.202 32.463 32.600 0.107 0.000 1.377 294 M HN -0.096 nan 8.290 nan 0.000 0.415 295 R N -0.451 120.174 120.500 0.208 0.000 2.112 295 R HA -0.256 4.082 4.340 -0.002 0.000 0.242 295 R C 2.178 178.560 176.300 0.135 0.000 1.137 295 R CA 2.408 58.587 56.100 0.132 0.000 0.944 295 R CB -0.981 29.157 30.300 -0.269 0.000 0.857 295 R HN 0.370 nan 8.270 nan 0.000 0.435 296 F N 0.581 120.447 119.950 -0.140 0.000 2.065 296 F HA -0.296 4.230 4.527 -0.002 0.000 0.298 296 F C 1.732 177.438 175.800 -0.157 0.000 1.112 296 F CA 1.848 59.711 58.000 -0.228 0.000 1.212 296 F CB -0.589 38.159 39.000 -0.420 0.000 0.975 296 F HN 0.058 nan 8.300 nan 0.000 0.476 297 Y N 0.478 120.840 120.300 0.103 0.000 2.145 297 Y HA -0.146 4.402 4.550 -0.003 0.000 0.286 297 Y C 2.692 178.557 175.900 -0.059 0.000 1.145 297 Y CA 1.111 59.196 58.100 -0.025 0.000 1.148 297 Y CB -1.609 36.837 38.460 -0.022 0.000 0.981 297 Y HN 0.183 nan 8.280 nan 0.000 0.507 298 A N 0.263 123.230 122.820 0.244 0.000 1.892 298 A HA -0.249 4.069 4.320 -0.002 0.000 0.218 298 A C 2.508 180.192 177.584 0.166 0.000 1.188 298 A CA 2.453 54.669 52.037 0.297 0.000 0.631 298 A CB -1.392 17.959 19.000 0.584 0.000 0.822 298 A HN 0.440 nan 8.150 nan 0.000 0.447 299 A N -0.308 122.548 122.820 0.059 0.000 1.851 299 A HA -0.221 4.097 4.320 -0.002 0.000 0.216 299 A C 1.945 179.394 177.584 -0.224 0.000 1.195 299 A CA 1.758 53.707 52.037 -0.146 0.000 0.622 299 A CB -0.714 18.043 19.000 -0.405 0.000 0.831 299 A HN 0.644 nan 8.150 nan 0.000 0.444 300 E N -0.551 119.359 120.200 -0.483 0.000 2.153 300 E HA -0.142 4.206 4.350 -0.002 0.000 0.194 300 E C 1.915 178.147 176.600 -0.612 0.000 0.988 300 E CA 1.122 56.982 56.400 -0.899 0.000 0.811 300 E CB -0.295 28.924 29.700 -0.800 0.000 0.746 300 E HN 0.709 nan 8.360 nan 0.000 0.466 301 I N 0.848 121.275 120.570 -0.239 0.000 2.252 301 I HA -0.253 3.915 4.170 -0.002 0.000 0.245 301 I C 2.357 178.435 176.117 -0.064 0.000 1.102 301 I CA 0.878 62.116 61.300 -0.104 0.000 1.385 301 I CB -0.125 37.873 38.000 -0.003 0.000 1.064 301 I HN 0.087 nan 8.210 nan 0.000 0.414 302 I N 0.519 121.088 120.570 -0.001 0.000 2.127 302 I HA -0.329 3.840 4.170 -0.002 0.000 0.241 302 I C 2.434 178.585 176.117 0.057 0.000 1.075 302 I CA 1.612 62.970 61.300 0.097 0.000 1.334 302 I CB -0.259 37.804 38.000 0.106 0.000 1.040 302 I HN 0.181 nan 8.210 nan 0.000 0.405 303 L N 0.192 121.418 121.223 0.004 0.000 2.127 303 L HA -0.176 4.162 4.340 -0.002 0.000 0.211 303 L C 2.606 179.588 176.870 0.187 0.000 1.089 303 L CA 1.470 56.375 54.840 0.108 0.000 0.757 303 L CB -1.243 40.928 42.059 0.187 0.000 0.899 303 L HN 0.375 nan 8.230 nan 0.000 0.434 304 G N 0.209 109.059 108.800 0.083 0.000 2.421 304 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.216 304 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.216 304 G C 1.638 176.516 174.900 -0.036 0.000 1.171 304 G CA 0.433 45.588 45.100 0.092 0.000 0.775 304 G HN 0.218 nan 8.290 nan 0.000 0.543 305 L N 0.116 121.257 121.223 -0.138 0.000 2.046 305 L HA -0.068 4.270 4.340 -0.002 0.000 0.208 305 L C 2.768 179.432 176.870 -0.344 0.000 1.077 305 L CA 1.467 56.085 54.840 -0.371 0.000 0.747 305 L CB -0.421 41.378 42.059 -0.434 0.000 0.896 305 L HN 0.359 nan 8.230 nan 0.000 0.432 306 E N -0.152 120.044 120.200 -0.005 0.000 2.070 306 E HA -0.352 3.997 4.350 -0.002 0.000 0.197 306 E C 2.096 178.734 176.600 0.062 0.000 1.004 306 E CA 1.939 58.410 56.400 0.117 0.000 0.805 306 E CB -0.095 29.686 29.700 0.134 0.000 0.744 306 E HN 0.518 nan 8.360 nan 0.000 0.451 307 H N -0.250 118.813 119.070 -0.011 0.000 2.352 307 H HA -0.100 4.455 4.556 -0.002 0.000 0.299 307 H C 2.108 177.407 175.328 -0.049 0.000 1.097 307 H CA 2.388 58.434 56.048 -0.005 0.000 1.311 307 H CB -0.007 29.775 29.762 0.032 0.000 1.377 307 H HN 0.180 nan 8.280 nan 0.000 0.504 308 M N -1.306 118.268 119.600 -0.043 0.000 2.200 308 M HA -0.111 4.368 4.480 -0.002 0.000 0.265 308 M C 1.878 178.149 176.300 -0.049 0.000 1.066 308 M CA 1.659 56.904 55.300 -0.093 0.000 1.127 308 M CB -0.204 32.276 32.600 -0.200 0.000 1.379 308 M HN 0.491 nan 8.290 nan 0.000 0.420 309 H N -0.329 118.749 119.070 0.013 0.000 2.372 309 H HA 0.023 4.578 4.556 -0.002 0.000 0.301 309 H C 1.650 176.880 175.328 -0.163 0.000 1.065 309 H CA 1.103 57.172 56.048 0.035 0.000 1.364 309 H CB -0.068 29.730 29.762 0.060 0.000 1.406 309 H HN 0.480 nan 8.280 nan 0.000 0.521 310 N N 0.853 119.511 118.700 -0.070 0.000 2.289 310 N HA -0.103 4.635 4.740 -0.002 0.000 0.184 310 N C 1.024 176.363 175.510 -0.284 0.000 1.016 310 N CA 0.465 53.377 53.050 -0.231 0.000 0.872 310 N CB 0.057 38.462 38.487 -0.136 0.000 0.973 310 N HN 0.241 nan 8.380 nan 0.000 0.433 311 R N 0.319 120.723 120.500 -0.162 0.000 2.449 311 R HA 0.116 4.455 4.340 -0.002 0.000 0.262 311 R C -0.572 175.797 176.300 0.115 0.000 1.006 311 R CA -0.224 55.879 56.100 0.006 0.000 1.104 311 R CB -0.198 30.066 30.300 -0.061 0.000 1.206 311 R HN 0.121 nan 8.270 nan 0.000 0.538 312 F N -0.992 118.859 119.950 -0.166 0.000 3.067 312 F HA -0.237 4.288 4.527 -0.002 0.000 0.279 312 F C -0.569 174.974 175.800 -0.428 0.000 0.945 312 F CA 0.216 57.833 58.000 -0.640 0.000 0.948 312 F CB -1.769 36.794 39.000 -0.728 0.000 0.898 312 F HN -0.180 nan 8.300 nan 0.000 0.746 313 V N 0.291 120.358 119.914 0.255 0.000 2.531 313 V HA 0.638 4.756 4.120 -0.002 0.000 0.301 313 V C -0.297 176.119 176.094 0.536 0.000 1.034 313 V CA -1.006 61.513 62.300 0.364 0.000 0.865 313 V CB 2.034 33.971 31.823 0.190 0.000 0.995 313 V HN 0.026 nan 8.190 nan 0.000 0.424 314 V N 5.070 125.287 119.914 0.504 0.000 2.427 314 V HA 0.391 4.509 4.120 -0.002 0.000 0.286 314 V C 0.346 176.606 176.094 0.277 0.000 1.034 314 V CA -0.012 62.490 62.300 0.338 0.000 0.893 314 V CB 1.508 33.432 31.823 0.168 0.000 0.982 314 V HN 0.844 nan 8.190 nan 0.000 0.452 315 Y N 6.081 126.429 120.300 0.080 0.000 2.231 315 Y HA 0.125 4.673 4.550 -0.003 0.000 0.294 315 Y C 1.963 177.884 175.900 0.036 0.000 1.120 315 Y CA 1.638 59.755 58.100 0.029 0.000 1.141 315 Y CB 0.043 38.484 38.460 -0.032 0.000 1.022 315 Y HN 0.806 nan 8.280 nan 0.000 0.523 316 R N -0.606 119.902 120.500 0.015 0.000 3.922 316 R HA -0.237 4.102 4.340 -0.002 0.000 0.447 316 R C -0.660 175.537 176.300 -0.171 0.000 1.035 316 R CA 1.206 57.275 56.100 -0.053 0.000 1.289 316 R CB -2.093 28.211 30.300 0.007 0.000 1.906 316 R HN 0.379 nan 8.270 nan 0.000 0.540 317 D N 0.385 120.554 120.400 -0.385 0.000 2.846 317 D HA 0.186 4.824 4.640 -0.002 0.000 0.279 317 D C -1.387 174.744 176.300 -0.281 0.000 1.222 317 D CA -0.462 53.340 54.000 -0.329 0.000 0.769 317 D CB 0.510 41.093 40.800 -0.360 0.000 1.299 317 D HN 0.058 nan 8.370 nan 0.000 0.537 318 L N 3.001 124.208 121.223 -0.026 0.000 2.283 318 L HA 0.437 4.776 4.340 -0.002 0.000 0.287 318 L C -0.274 176.488 176.870 -0.181 0.000 1.073 318 L CA 0.305 55.200 54.840 0.092 0.000 0.822 318 L CB -0.045 42.114 42.059 0.166 0.000 1.186 318 L HN 0.237 nan 8.230 nan 0.000 0.436 319 K N 4.406 124.649 120.400 -0.262 0.000 2.509 319 K HA 0.631 4.950 4.320 -0.002 0.000 0.266 319 K C -2.659 173.807 176.600 -0.222 0.000 0.987 319 K CA -1.623 54.340 56.287 -0.539 0.000 0.868 319 K CB 1.380 33.362 32.500 -0.865 0.000 1.421 319 K HN 0.045 nan 8.250 nan 0.000 0.444 320 P HA -0.194 nan 4.420 nan 0.000 0.219 320 P C 1.197 178.502 177.300 0.009 0.000 1.150 320 P CA 1.526 64.603 63.100 -0.038 0.000 0.814 320 P CB -0.030 31.698 31.700 0.046 0.000 0.787 321 A N 0.403 123.220 122.820 -0.005 0.000 2.076 321 A HA -0.173 4.146 4.320 -0.002 0.000 0.220 321 A C 1.911 179.492 177.584 -0.006 0.000 1.160 321 A CA 1.527 53.566 52.037 0.003 0.000 0.653 321 A CB -1.189 17.735 19.000 -0.126 0.000 0.801 321 A HN 0.160 nan 8.150 nan 0.000 0.455 322 N N -0.545 118.145 118.700 -0.017 0.000 2.336 322 N HA 0.195 4.934 4.740 -0.002 0.000 0.189 322 N C -0.176 175.364 175.510 0.049 0.000 1.113 322 N CA 0.308 53.379 53.050 0.035 0.000 0.858 322 N CB 0.236 38.776 38.487 0.088 0.000 0.970 322 N HN 0.468 nan 8.380 nan 0.000 0.471 323 I N 1.367 121.951 120.570 0.022 0.000 2.354 323 I HA 0.289 4.457 4.170 -0.002 0.000 0.292 323 I C -0.284 175.858 176.117 0.042 0.000 0.989 323 I CA -0.531 60.780 61.300 0.017 0.000 1.188 323 I CB 1.499 39.483 38.000 -0.028 0.000 1.342 323 I HN -0.286 nan 8.210 nan 0.000 0.457 324 L N 6.375 127.639 121.223 0.068 0.000 2.303 324 L HA 0.607 4.946 4.340 -0.002 0.000 0.266 324 L C -1.116 175.844 176.870 0.149 0.000 1.011 324 L CA -0.963 53.935 54.840 0.097 0.000 0.818 324 L CB 2.015 44.121 42.059 0.078 0.000 1.326 324 L HN 0.336 nan 8.230 nan 0.000 0.435 325 L N 0.797 122.127 121.223 0.179 0.000 2.365 325 L HA 0.422 4.760 4.340 -0.002 0.000 0.273 325 L C -0.465 176.513 176.870 0.181 0.000 1.000 325 L CA -0.560 54.412 54.840 0.220 0.000 0.819 325 L CB 1.608 43.829 42.059 0.270 0.000 1.284 325 L HN 0.524 nan 8.230 nan 0.000 0.418 326 D N 0.609 121.122 120.400 0.188 0.000 2.433 326 D HA 0.047 4.685 4.640 -0.002 0.000 0.255 326 D C 0.799 177.167 176.300 0.114 0.000 1.226 326 D CA -0.447 53.639 54.000 0.143 0.000 1.015 326 D CB 0.608 41.502 40.800 0.158 0.000 1.091 326 D HN 0.726 nan 8.370 nan 0.000 0.527 327 E N -1.077 119.140 120.200 0.030 0.000 2.338 327 E HA -0.240 4.109 4.350 -0.002 0.000 0.197 327 E C 1.240 177.796 176.600 -0.073 0.000 1.007 327 E CA 0.955 57.329 56.400 -0.044 0.000 0.849 327 E CB -0.308 29.319 29.700 -0.122 0.000 0.774 327 E HN 0.423 nan 8.360 nan 0.000 0.506 328 H N -0.276 118.850 119.070 0.094 0.000 2.482 328 H HA 0.156 4.711 4.556 -0.003 0.000 0.286 328 H C 1.621 176.962 175.328 0.021 0.000 1.017 328 H CA 1.380 57.481 56.048 0.087 0.000 1.322 328 H CB 1.193 31.064 29.762 0.181 0.000 1.426 328 H HN 0.513 nan 8.280 nan 0.000 0.546 329 G N -0.243 108.654 108.800 0.161 0.000 2.421 329 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.188 329 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.188 329 G C 0.123 175.099 174.900 0.127 0.000 1.001 329 G CA -0.367 44.759 45.100 0.044 0.000 0.693 329 G HN 0.386 nan 8.290 nan 0.000 0.479 330 H N 0.724 119.965 119.070 0.286 0.000 2.757 330 H HA 0.452 5.007 4.556 -0.002 0.000 0.370 330 H C 0.738 176.263 175.328 0.328 0.000 1.172 330 H CA 1.030 57.307 56.048 0.382 0.000 1.426 330 H CB 1.671 31.618 29.762 0.308 0.000 1.438 330 H HN 0.582 nan 8.280 nan 0.000 0.612 331 V N 0.359 120.552 119.914 0.465 0.000 2.881 331 V HA 0.716 4.835 4.120 -0.002 0.000 0.316 331 V C -0.007 176.248 176.094 0.268 0.000 1.070 331 V CA -1.002 61.493 62.300 0.325 0.000 0.976 331 V CB 2.227 34.237 31.823 0.312 0.000 1.038 331 V HN 0.718 nan 8.190 nan 0.000 0.446 332 R N 1.833 122.438 120.500 0.175 0.000 2.774 332 R HA 0.680 5.018 4.340 -0.002 0.000 0.272 332 R C -1.218 175.109 176.300 0.044 0.000 1.000 332 R CA -0.914 55.261 56.100 0.125 0.000 0.906 332 R CB 2.453 32.807 30.300 0.091 0.000 1.227 332 R HN 0.719 nan 8.270 nan 0.000 0.468 333 I N 0.170 120.724 120.570 -0.026 0.000 2.612 333 I HA 0.121 4.290 4.170 -0.002 0.000 0.295 333 I C 0.895 176.976 176.117 -0.060 0.000 1.011 333 I CA 0.344 61.577 61.300 -0.113 0.000 1.326 333 I CB 1.727 39.510 38.000 -0.362 0.000 1.427 333 I HN 0.656 nan 8.210 nan 0.000 0.537 334 S N 1.678 117.386 115.700 0.014 0.000 3.627 334 S HA 0.048 4.517 4.470 -0.002 0.000 0.190 334 S C 0.216 174.886 174.600 0.118 0.000 0.880 334 S CA -0.107 58.125 58.200 0.054 0.000 0.894 334 S CB 0.192 63.421 63.200 0.049 0.000 1.095 334 S HN 0.711 nan 8.310 nan 0.000 0.655 335 D N 2.311 122.810 120.400 0.164 0.000 2.349 335 D HA 0.138 4.777 4.640 -0.002 0.000 0.266 335 D C -0.344 176.048 176.300 0.154 0.000 1.293 335 D CA 0.255 54.312 54.000 0.094 0.000 0.926 335 D CB 0.338 41.149 40.800 0.018 0.000 1.090 335 D HN 0.342 nan 8.370 nan 0.000 0.502 336 L N 3.340 124.626 121.223 0.105 0.000 2.984 336 L HA 0.250 4.588 4.340 -0.002 0.000 0.246 336 L C 2.008 178.894 176.870 0.027 0.000 1.268 336 L CA -0.365 54.556 54.840 0.136 0.000 1.054 336 L CB 0.766 42.896 42.059 0.119 0.000 1.393 336 L HN 0.427 nan 8.230 nan 0.000 0.532 337 G N -0.059 108.731 108.800 -0.016 0.000 2.396 337 G HA2 -0.092 3.866 3.960 -0.002 0.000 0.214 337 G HA3 -0.092 3.866 3.960 -0.002 0.000 0.214 337 G C 1.272 176.172 174.900 -0.000 0.000 1.166 337 G CA 0.250 45.351 45.100 0.001 0.000 0.793 337 G HN 0.316 nan 8.290 nan 0.000 0.533 338 L N 0.844 122.029 121.223 -0.063 0.000 2.592 338 L HA 0.356 4.694 4.340 -0.002 0.000 0.227 338 L C 1.807 178.646 176.870 -0.052 0.000 1.127 338 L CA -0.374 54.423 54.840 -0.071 0.000 0.884 338 L CB -0.283 41.695 42.059 -0.135 0.000 1.065 338 L HN 0.210 nan 8.230 nan 0.000 0.457 339 A N -0.177 122.632 122.820 -0.019 0.000 2.387 339 A HA 0.277 4.595 4.320 -0.002 0.000 0.251 339 A C -0.165 177.478 177.584 0.098 0.000 1.113 339 A CA -0.009 52.075 52.037 0.079 0.000 0.794 339 A CB 0.477 19.588 19.000 0.186 0.000 1.069 339 A HN 0.387 nan 8.150 nan 0.000 0.506 340 C N 0.490 119.878 119.300 0.147 0.000 3.046 340 C HA 0.524 4.982 4.460 -0.002 0.000 0.388 340 C C -1.054 174.063 174.990 0.211 0.000 1.041 340 C CA -0.812 58.290 59.018 0.141 0.000 1.241 340 C CB 0.500 28.305 27.740 0.107 0.000 1.638 340 C HN 1.025 nan 8.230 nan 0.000 0.539 341 D N 2.366 122.856 120.400 0.151 0.000 2.350 341 D HA 0.434 5.072 4.640 -0.002 0.000 0.249 341 D C 0.202 176.612 176.300 0.182 0.000 1.119 341 D CA -0.151 53.924 54.000 0.125 0.000 0.886 341 D CB 0.426 41.251 40.800 0.041 0.000 1.195 341 D HN 0.525 nan 8.370 nan 0.000 0.437 342 F N 1.219 121.223 119.950 0.089 0.000 2.791 342 F HA 0.285 4.810 4.527 -0.002 0.000 0.316 342 F C 1.317 177.173 175.800 0.092 0.000 1.134 342 F CA -0.222 57.817 58.000 0.064 0.000 1.222 342 F CB -0.644 38.387 39.000 0.051 0.000 1.034 342 F HN 0.243 nan 8.300 nan 0.000 0.516 343 S N 1.170 116.739 115.700 -0.218 0.000 2.329 343 S HA -0.080 4.388 4.470 -0.002 0.000 0.215 343 S C 1.732 176.248 174.600 -0.139 0.000 1.031 343 S CA 0.886 58.909 58.200 -0.296 0.000 0.985 343 S CB -0.508 62.379 63.200 -0.522 0.000 0.917 343 S HN 0.467 nan 8.310 nan 0.000 0.441 344 K N 1.138 121.474 120.400 -0.107 0.000 2.155 344 K HA 0.170 4.489 4.320 -0.002 0.000 0.203 344 K C 0.791 177.382 176.600 -0.014 0.000 1.052 344 K CA 0.764 57.012 56.287 -0.065 0.000 0.948 344 K CB -0.018 32.447 32.500 -0.059 0.000 0.728 344 K HN 0.417 nan 8.250 nan 0.000 0.448 345 K N 0.707 121.118 120.400 0.017 0.000 2.562 345 K HA 0.178 4.496 4.320 -0.002 0.000 0.267 345 K C -1.638 175.006 176.600 0.074 0.000 0.938 345 K CA -0.613 55.698 56.287 0.041 0.000 0.840 345 K CB 1.726 34.243 32.500 0.028 0.000 1.390 345 K HN -0.242 nan 8.250 nan 0.000 0.428 346 K N 3.846 124.286 120.400 0.066 0.000 2.234 346 K HA 0.319 4.638 4.320 -0.002 0.000 0.282 346 K C -2.187 174.387 176.600 -0.044 0.000 1.039 346 K CA -1.731 54.576 56.287 0.033 0.000 0.928 346 K CB 1.147 33.656 32.500 0.016 0.000 1.039 346 K HN 0.462 nan 8.250 nan 0.000 0.470 347 P HA 0.068 nan 4.420 nan 0.000 0.276 347 P C -0.431 176.681 177.300 -0.314 0.000 1.261 347 P CA -0.029 62.931 63.100 -0.233 0.000 0.800 347 P CB 0.586 32.086 31.700 -0.334 0.000 1.066 348 H N -1.846 117.122 119.070 -0.170 0.000 3.297 348 H HA 0.482 5.037 4.556 -0.002 0.000 0.254 348 H C -0.003 175.426 175.328 0.168 0.000 1.192 348 H CA -0.509 55.558 56.048 0.031 0.000 1.058 348 H CB -0.414 29.362 29.762 0.023 0.000 1.777 348 H HN 0.386 nan 8.280 nan 0.000 0.696 349 A N 0.979 123.723 122.820 -0.126 0.000 2.292 349 A HA 0.330 4.649 4.320 -0.002 0.000 0.265 349 A C 0.793 178.412 177.584 0.058 0.000 1.133 349 A CA 0.131 52.106 52.037 -0.103 0.000 0.807 349 A CB 0.387 19.318 19.000 -0.114 0.000 1.102 349 A HN 0.313 nan 8.150 nan 0.000 0.502 350 S N -0.214 115.485 115.700 -0.002 0.000 2.489 350 S HA 0.379 4.848 4.470 -0.002 0.000 0.237 350 S C -0.391 174.168 174.600 -0.069 0.000 1.220 350 S CA -0.470 57.711 58.200 -0.033 0.000 1.231 350 S CB -1.112 62.075 63.200 -0.021 0.000 0.900 350 S HN 0.490 nan 8.310 nan 0.000 0.492 351 V N 2.086 121.978 119.914 -0.036 0.000 2.530 351 V HA 0.803 4.921 4.120 -0.002 0.000 0.282 351 V C 1.024 177.062 176.094 -0.093 0.000 1.048 351 V CA 0.547 62.817 62.300 -0.050 0.000 0.997 351 V CB 0.579 32.400 31.823 -0.003 0.000 0.987 351 V HN 0.717 nan 8.190 nan 0.000 0.477 352 G N 3.697 112.425 108.800 -0.120 0.000 2.357 352 G HA2 0.197 4.156 3.960 -0.002 0.000 0.289 352 G HA3 0.197 4.156 3.960 -0.002 0.000 0.289 352 G C -0.739 174.085 174.900 -0.128 0.000 1.302 352 G CA -0.522 44.506 45.100 -0.120 0.000 0.936 352 G HN 0.609 nan 8.290 nan 0.000 0.513 353 T N 0.519 115.054 114.554 -0.032 0.000 2.829 353 T HA 0.477 4.825 4.350 -0.002 0.000 0.282 353 T C 1.032 175.780 174.700 0.079 0.000 0.990 353 T CA -0.436 61.700 62.100 0.059 0.000 1.028 353 T CB 1.220 70.213 68.868 0.209 0.000 0.951 353 T HN 0.516 nan 8.240 nan 0.000 0.460 354 H N 2.090 121.201 119.070 0.069 0.000 2.543 354 H HA -0.035 4.520 4.556 -0.002 0.000 0.286 354 H C 2.102 177.403 175.328 -0.044 0.000 1.037 354 H CA 1.086 57.135 56.048 0.002 0.000 1.250 354 H CB 0.127 29.872 29.762 -0.029 0.000 1.373 354 H HN 0.788 nan 8.280 nan 0.000 0.580 355 G N -1.255 107.522 108.800 -0.039 0.000 2.744 355 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.211 355 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.211 355 G C 0.478 175.104 174.900 -0.457 0.000 1.146 355 G CA -0.042 44.834 45.100 -0.375 0.000 0.787 355 G HN 0.343 nan 8.290 nan 0.000 0.534 356 Y N -0.457 119.940 120.300 0.161 0.000 2.675 356 Y HA 0.488 5.037 4.550 -0.003 0.000 0.248 356 Y C 0.917 176.918 175.900 0.169 0.000 1.161 356 Y CA -0.751 57.462 58.100 0.188 0.000 1.203 356 Y CB 0.200 38.735 38.460 0.126 0.000 1.262 356 Y HN -0.055 nan 8.280 nan 0.000 0.544 357 M N 1.136 120.830 119.600 0.157 0.000 2.216 357 M HA 0.532 5.011 4.480 -0.002 0.000 0.356 357 M C 0.440 176.646 176.300 -0.157 0.000 1.205 357 M CA -0.530 54.762 55.300 -0.015 0.000 1.122 357 M CB 1.066 33.586 32.600 -0.134 0.000 1.571 357 M HN 0.274 nan 8.290 nan 0.000 0.464 358 A N 4.567 127.193 122.820 -0.322 0.000 2.366 358 A HA 0.360 4.679 4.320 -0.002 0.000 0.249 358 A C -1.898 175.257 177.584 -0.715 0.000 1.084 358 A CA -1.293 50.245 52.037 -0.831 0.000 0.794 358 A CB -0.336 18.356 19.000 -0.514 0.000 1.034 358 A HN 0.612 nan 8.150 nan 0.000 0.491 359 P HA -0.181 nan 4.420 nan 0.000 0.216 359 P C 1.232 178.344 177.300 -0.313 0.000 1.150 359 P CA 1.586 64.405 63.100 -0.468 0.000 0.837 359 P CB 0.093 31.558 31.700 -0.392 0.000 0.786 360 E N -0.138 119.877 120.200 -0.307 0.000 2.274 360 E HA -0.073 4.276 4.350 -0.002 0.000 0.194 360 E C 1.724 178.176 176.600 -0.247 0.000 0.996 360 E CA 1.035 57.316 56.400 -0.198 0.000 0.840 360 E CB -1.255 28.376 29.700 -0.115 0.000 0.772 360 E HN 0.110 nan 8.360 nan 0.000 0.491 361 V N 1.592 121.219 119.914 -0.478 0.000 2.379 361 V HA -0.172 3.947 4.120 -0.002 0.000 0.245 361 V C 2.576 178.555 176.094 -0.192 0.000 1.044 361 V CA 1.220 63.233 62.300 -0.479 0.000 1.036 361 V CB -0.474 30.996 31.823 -0.589 0.000 0.664 361 V HN 0.175 nan 8.190 nan 0.000 0.453 362 L N -0.819 120.285 121.223 -0.197 0.000 2.217 362 L HA -0.029 4.310 4.340 -0.002 0.000 0.211 362 L C 1.302 178.135 176.870 -0.061 0.000 1.107 362 L CA 0.597 55.367 54.840 -0.117 0.000 0.783 362 L CB -0.371 41.605 42.059 -0.140 0.000 0.919 362 L HN 0.338 nan 8.230 nan 0.000 0.442 363 Q N 0.651 120.412 119.800 -0.064 0.000 2.373 363 Q HA -0.038 4.300 4.340 -0.002 0.000 0.255 363 Q C 0.871 176.886 176.000 0.025 0.000 0.980 363 Q CA 0.340 56.129 55.803 -0.024 0.000 0.882 363 Q CB 1.300 30.020 28.738 -0.030 0.000 1.249 363 Q HN 0.129 nan 8.270 nan 0.000 0.438 364 K N 1.765 122.183 120.400 0.030 0.000 1.980 364 K HA -0.186 4.132 4.320 -0.002 0.000 0.223 364 K C 0.975 177.644 176.600 0.114 0.000 1.052 364 K CA 1.981 58.303 56.287 0.059 0.000 0.974 364 K CB -0.351 32.170 32.500 0.035 0.000 0.734 364 K HN 0.736 nan 8.250 nan 0.000 0.447 365 G N 0.451 109.297 108.800 0.076 0.000 4.044 365 G HA2 0.292 4.250 3.960 -0.002 0.000 0.297 365 G HA3 0.292 4.250 3.960 -0.002 0.000 0.297 365 G C -0.942 173.990 174.900 0.053 0.000 1.101 365 G CA -0.480 44.654 45.100 0.057 0.000 0.884 365 G HN 0.127 nan 8.290 nan 0.000 0.538 366 V N 1.852 121.827 119.914 0.101 0.000 2.408 366 V HA 0.568 4.687 4.120 -0.002 0.000 0.267 366 V C 0.914 177.127 176.094 0.198 0.000 1.047 366 V CA -0.768 61.593 62.300 0.101 0.000 0.937 366 V CB 0.524 32.386 31.823 0.065 0.000 0.999 366 V HN 0.472 nan 8.190 nan 0.000 0.472 367 A N 5.963 128.864 122.820 0.136 0.000 2.366 367 A HA 0.754 5.073 4.320 -0.002 0.000 0.249 367 A C -0.502 177.189 177.584 0.179 0.000 1.084 367 A CA -0.032 52.073 52.037 0.113 0.000 0.794 367 A CB 0.343 19.362 19.000 0.032 0.000 1.034 367 A HN 1.191 nan 8.150 nan 0.000 0.491 368 Y N -1.453 118.846 120.300 -0.002 0.000 2.689 368 Y HA 0.644 5.193 4.550 -0.002 0.000 0.333 368 Y C -0.657 175.159 175.900 -0.141 0.000 1.208 368 Y CA -0.679 57.385 58.100 -0.061 0.000 1.055 368 Y CB 0.790 39.207 38.460 -0.072 0.000 1.304 368 Y HN 0.691 nan 8.280 nan 0.000 0.455 369 D N -0.615 119.736 120.400 -0.082 0.000 3.719 369 D HA 0.196 4.835 4.640 -0.002 0.000 0.236 369 D C 1.167 177.132 176.300 -0.558 0.000 1.496 369 D CA 0.412 54.064 54.000 -0.580 0.000 1.057 369 D CB -0.509 39.977 40.800 -0.523 0.000 1.296 369 D HN 0.552 nan 8.370 nan 0.000 0.627 370 S N -0.341 114.941 115.700 -0.697 0.000 2.474 370 S HA -0.146 4.322 4.470 -0.002 0.000 0.235 370 S C 1.844 176.255 174.600 -0.316 0.000 0.997 370 S CA 1.398 59.220 58.200 -0.630 0.000 0.949 370 S CB -1.157 61.532 63.200 -0.851 0.000 0.766 370 S HN 0.534 nan 8.310 nan 0.000 0.517 371 S N 3.184 118.848 115.700 -0.059 0.000 2.390 371 S HA -0.257 4.212 4.470 -0.002 0.000 0.234 371 S C 2.113 176.782 174.600 0.115 0.000 1.063 371 S CA 1.441 59.721 58.200 0.132 0.000 1.108 371 S CB -1.452 61.796 63.200 0.081 0.000 0.975 371 S HN 0.968 nan 8.310 nan 0.000 0.442 372 A N 2.149 124.969 122.820 -0.000 0.000 1.933 372 A HA -0.115 4.203 4.320 -0.002 0.000 0.218 372 A C 1.982 179.591 177.584 0.042 0.000 1.175 372 A CA 1.675 53.691 52.037 -0.035 0.000 0.628 372 A CB -0.895 17.990 19.000 -0.193 0.000 0.814 372 A HN 0.513 nan 8.150 nan 0.000 0.444 373 D N -1.379 118.984 120.400 -0.061 0.000 2.310 373 D HA -0.124 4.514 4.640 -0.002 0.000 0.212 373 D C 1.543 177.773 176.300 -0.117 0.000 0.965 373 D CA 0.738 54.682 54.000 -0.092 0.000 0.879 373 D CB -0.262 40.472 40.800 -0.109 0.000 0.921 373 D HN 0.790 nan 8.370 nan 0.000 0.510 374 W N -0.343 121.065 121.300 0.180 0.000 2.453 374 W HA 0.028 4.687 4.660 -0.003 0.000 0.289 374 W C 2.053 178.680 176.519 0.180 0.000 1.215 374 W CA -0.437 57.002 57.345 0.158 0.000 1.297 374 W CB -0.564 28.961 29.460 0.108 0.000 1.113 374 W HN -0.123 nan 8.180 nan 0.000 0.551 375 F N 1.175 121.282 119.950 0.262 0.000 2.234 375 F HA -0.202 4.323 4.527 -0.002 0.000 0.299 375 F C 2.304 178.222 175.800 0.197 0.000 1.087 375 F CA 1.765 59.882 58.000 0.195 0.000 1.340 375 F CB -0.270 38.800 39.000 0.117 0.000 1.031 375 F HN -0.310 nan 8.300 nan 0.000 0.500 376 S N 0.448 116.369 115.700 0.368 0.000 2.423 376 S HA -0.141 4.328 4.470 -0.002 0.000 0.231 376 S C 1.814 176.550 174.600 0.226 0.000 1.014 376 S CA 1.020 59.401 58.200 0.302 0.000 0.965 376 S CB -0.470 62.868 63.200 0.231 0.000 0.785 376 S HN 0.364 nan 8.310 nan 0.000 0.495 377 L N 2.309 123.658 121.223 0.210 0.000 2.056 377 L HA 0.075 4.414 4.340 -0.002 0.000 0.207 377 L C 2.268 179.242 176.870 0.174 0.000 1.078 377 L CA 1.879 56.842 54.840 0.206 0.000 0.749 377 L CB -1.314 40.923 42.059 0.297 0.000 0.901 377 L HN 0.290 nan 8.230 nan 0.000 0.433 378 G N -1.243 107.627 108.800 0.117 0.000 2.446 378 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.217 378 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.217 378 G C 1.647 176.574 174.900 0.045 0.000 1.168 378 G CA 1.020 46.138 45.100 0.030 0.000 0.771 378 G HN 0.522 nan 8.290 nan 0.000 0.551 379 C N 0.022 119.339 119.300 0.027 0.000 2.413 379 C HA 0.021 4.480 4.460 -0.002 0.000 0.276 379 C C 2.792 177.978 174.990 0.327 0.000 1.248 379 C CA 1.282 60.383 59.018 0.139 0.000 1.742 379 C CB -0.666 27.229 27.740 0.259 0.000 2.017 379 C HN 0.533 nan 8.230 nan 0.000 0.481 380 M N -0.260 119.536 119.600 0.326 0.000 2.123 380 M HA -0.050 4.429 4.480 -0.002 0.000 0.263 380 M C 2.061 178.479 176.300 0.197 0.000 1.069 380 M CA 1.665 57.128 55.300 0.272 0.000 1.133 380 M CB -0.268 32.407 32.600 0.126 0.000 1.356 380 M HN 0.353 nan 8.290 nan 0.000 0.415 381 L N -0.578 120.743 121.223 0.164 0.000 2.191 381 L HA -0.226 4.113 4.340 -0.002 0.000 0.212 381 L C 2.364 179.298 176.870 0.105 0.000 1.103 381 L CA 1.111 56.018 54.840 0.112 0.000 0.769 381 L CB -0.709 41.410 42.059 0.099 0.000 0.908 381 L HN 0.306 nan 8.230 nan 0.000 0.438 382 F N 1.177 121.138 119.950 0.018 0.000 2.134 382 F HA -0.257 4.269 4.527 -0.002 0.000 0.299 382 F C 2.616 178.427 175.800 0.018 0.000 1.097 382 F CA 1.783 59.792 58.000 0.015 0.000 1.264 382 F CB -0.043 38.939 39.000 -0.030 0.000 1.001 382 F HN -0.129 nan 8.300 nan 0.000 0.479 383 K N 0.357 120.887 120.400 0.217 0.000 2.211 383 K HA -0.110 4.209 4.320 -0.002 0.000 0.203 383 K C 1.923 178.574 176.600 0.084 0.000 1.050 383 K CA 1.307 57.682 56.287 0.147 0.000 0.945 383 K CB -0.227 32.454 32.500 0.301 0.000 0.732 383 K HN 0.391 nan 8.250 nan 0.000 0.451 384 L N 0.557 121.828 121.223 0.080 0.000 2.291 384 L HA -0.100 4.239 4.340 -0.002 0.000 0.214 384 L C 1.929 178.894 176.870 0.159 0.000 1.120 384 L CA 0.640 55.556 54.840 0.126 0.000 0.799 384 L CB -0.147 41.901 42.059 -0.019 0.000 0.925 384 L HN 0.226 nan 8.230 nan 0.000 0.446 385 L N -1.366 119.843 121.223 -0.023 0.000 2.298 385 L HA 0.060 4.399 4.340 -0.002 0.000 0.209 385 L C 2.377 179.181 176.870 -0.110 0.000 1.084 385 L CA 0.344 55.139 54.840 -0.075 0.000 0.816 385 L CB -0.032 41.888 42.059 -0.232 0.000 0.967 385 L HN 0.137 nan 8.230 nan 0.000 0.460 386 R N -0.809 119.530 120.500 -0.268 0.000 2.435 386 R HA 0.277 4.616 4.340 -0.002 0.000 0.221 386 R C 1.000 177.197 176.300 -0.172 0.000 0.885 386 R CA 0.856 56.771 56.100 -0.309 0.000 1.018 386 R CB 1.187 31.057 30.300 -0.716 0.000 1.259 386 R HN 0.291 nan 8.270 nan 0.000 0.597 387 G N 1.654 110.396 108.800 -0.096 0.000 2.163 387 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.213 387 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.213 387 G C -0.226 174.792 174.900 0.197 0.000 0.991 387 G CA 0.462 45.606 45.100 0.073 0.000 0.653 387 G HN 0.631 nan 8.290 nan 0.000 0.518 388 H N -2.185 116.998 119.070 0.188 0.000 2.950 388 H HA 0.766 5.320 4.556 -0.003 0.000 0.307 388 H C -0.276 175.238 175.328 0.311 0.000 1.403 388 H CA -0.181 56.001 56.048 0.224 0.000 1.145 388 H CB 0.548 30.412 29.762 0.171 0.000 1.844 388 H HN 0.446 nan 8.280 nan 0.000 0.515 389 S N 1.136 117.044 115.700 0.348 0.000 2.562 389 S HA 0.133 4.602 4.470 -0.002 0.000 0.281 389 S C -1.368 173.317 174.600 0.142 0.000 1.333 389 S CA -0.959 57.337 58.200 0.160 0.000 1.052 389 S CB 0.391 63.525 63.200 -0.111 0.000 0.884 389 S HN 0.658 nan 8.310 nan 0.000 0.506 390 P HA -0.049 nan 4.420 nan 0.000 0.222 390 P C 0.624 177.557 177.300 -0.611 0.000 1.147 390 P CA 1.283 63.821 63.100 -0.936 0.000 0.790 390 P CB -0.076 30.587 31.700 -1.729 0.000 0.780 391 F N -0.850 119.043 119.950 -0.094 0.000 2.754 391 F HA 0.199 4.724 4.527 -0.002 0.000 0.297 391 F C 1.482 177.270 175.800 -0.020 0.000 1.122 391 F CA -0.634 57.338 58.000 -0.047 0.000 1.400 391 F CB -0.143 38.837 39.000 -0.032 0.000 1.117 391 F HN -0.240 nan 8.300 nan 0.000 0.587 392 R N 2.009 122.590 120.500 0.134 0.000 2.298 392 R HA 0.327 4.665 4.340 -0.002 0.000 0.310 392 R C -1.074 175.207 176.300 -0.033 0.000 1.068 392 R CA 0.295 56.436 56.100 0.069 0.000 0.957 392 R CB 0.245 30.599 30.300 0.089 0.000 1.003 392 R HN 0.227 nan 8.270 nan 0.000 0.454 393 Q N 2.073 121.850 119.800 -0.038 0.000 2.345 393 Q HA 0.241 4.579 4.340 -0.002 0.000 0.275 393 Q C -0.873 175.165 176.000 0.062 0.000 1.063 393 Q CA -0.863 54.911 55.803 -0.047 0.000 0.819 393 Q CB 2.015 30.744 28.738 -0.015 0.000 1.356 393 Q HN 0.850 nan 8.270 nan 0.000 0.418 394 H N 1.015 120.014 119.070 -0.118 0.000 2.820 394 H HA -0.189 4.366 4.556 -0.002 0.000 0.295 394 H C -0.177 175.113 175.328 -0.063 0.000 1.187 394 H CA 0.752 56.756 56.048 -0.074 0.000 1.144 394 H CB -0.423 29.313 29.762 -0.044 0.000 1.354 394 H HN 0.655 nan 8.280 nan 0.000 0.395 395 K N 0.617 121.014 120.400 -0.004 0.000 3.071 395 K HA -0.173 4.145 4.320 -0.002 0.000 0.262 395 K C 0.083 176.697 176.600 0.023 0.000 0.977 395 K CA 1.129 57.416 56.287 -0.001 0.000 0.721 395 K CB -0.976 31.524 32.500 -0.001 0.000 1.293 395 K HN 0.489 nan 8.250 nan 0.000 0.475 396 T N 0.144 114.714 114.554 0.027 0.000 2.926 396 T HA 0.225 4.573 4.350 -0.002 0.000 0.307 396 T C 0.183 174.886 174.700 0.006 0.000 1.059 396 T CA 0.057 62.168 62.100 0.020 0.000 1.122 396 T CB 0.434 69.308 68.868 0.011 0.000 0.972 396 T HN 0.324 nan 8.240 nan 0.000 0.545 397 K N 3.121 123.517 120.400 -0.007 0.000 3.022 397 K HA 0.254 4.572 4.320 -0.002 0.000 0.178 397 K C -1.211 175.355 176.600 -0.057 0.000 1.089 397 K CA -0.382 55.890 56.287 -0.025 0.000 0.916 397 K CB 0.572 33.065 32.500 -0.013 0.000 1.159 397 K HN 0.408 nan 8.250 nan 0.000 0.592 398 D N 1.360 121.717 120.400 -0.073 0.000 2.346 398 D HA 0.056 4.694 4.640 -0.002 0.000 0.255 398 D C 0.816 177.017 176.300 -0.165 0.000 1.276 398 D CA -0.404 53.535 54.000 -0.103 0.000 0.941 398 D CB 0.841 41.613 40.800 -0.048 0.000 1.199 398 D HN 0.226 nan 8.370 nan 0.000 0.537 399 K N 1.344 121.545 120.400 -0.331 0.000 2.089 399 K HA -0.251 4.068 4.320 -0.002 0.000 0.210 399 K C 0.957 177.365 176.600 -0.320 0.000 1.048 399 K CA 1.475 57.444 56.287 -0.531 0.000 0.926 399 K CB -0.357 31.462 32.500 -1.135 0.000 0.714 399 K HN 0.449 nan 8.250 nan 0.000 0.448 400 H N 0.078 119.059 119.070 -0.149 0.000 2.462 400 H HA 0.005 4.560 4.556 -0.002 0.000 0.292 400 H C 2.086 177.382 175.328 -0.053 0.000 1.049 400 H CA 1.136 57.138 56.048 -0.077 0.000 1.334 400 H CB 0.200 29.926 29.762 -0.060 0.000 1.404 400 H HN 0.450 nan 8.280 nan 0.000 0.544 401 E N 0.960 121.190 120.200 0.050 0.000 2.107 401 E HA -0.112 4.237 4.350 -0.002 0.000 0.191 401 E C 1.911 178.519 176.600 0.014 0.000 0.982 401 E CA 0.605 57.019 56.400 0.022 0.000 0.809 401 E CB 0.135 29.838 29.700 0.005 0.000 0.756 401 E HN 0.456 nan 8.360 nan 0.000 0.459 402 I N 1.586 122.159 120.570 0.005 0.000 2.315 402 I HA -0.243 3.925 4.170 -0.002 0.000 0.248 402 I C 1.675 177.788 176.117 -0.007 0.000 1.117 402 I CA 0.965 62.279 61.300 0.024 0.000 1.404 402 I CB -0.199 37.816 38.000 0.025 0.000 1.071 402 I HN 0.060 nan 8.210 nan 0.000 0.419 403 D N 0.510 120.913 120.400 0.004 0.000 2.219 403 D HA -0.161 4.477 4.640 -0.002 0.000 0.205 403 D C 2.182 178.430 176.300 -0.086 0.000 0.970 403 D CA 0.914 54.896 54.000 -0.030 0.000 0.851 403 D CB -0.238 40.601 40.800 0.065 0.000 0.943 403 D HN 0.250 nan 8.370 nan 0.000 0.488 404 R N -0.160 120.315 120.500 -0.041 0.000 2.236 404 R HA 0.012 4.351 4.340 -0.002 0.000 0.208 404 R C 1.840 178.107 176.300 -0.056 0.000 1.036 404 R CA 0.429 56.502 56.100 -0.045 0.000 1.001 404 R CB 0.143 30.435 30.300 -0.013 0.000 0.896 404 R HN 0.018 nan 8.270 nan 0.000 0.464 405 M N -0.609 118.959 119.600 -0.052 0.000 2.193 405 M HA -0.027 4.452 4.480 -0.002 0.000 0.265 405 M C 1.959 178.151 176.300 -0.180 0.000 1.071 405 M CA 1.563 56.877 55.300 0.023 0.000 1.140 405 M CB -1.136 31.600 32.600 0.227 0.000 1.369 405 M HN -0.001 nan 8.290 nan 0.000 0.423 406 T N 2.114 116.273 114.554 -0.659 0.000 2.635 406 T HA -0.144 4.205 4.350 -0.002 0.000 0.267 406 T C 2.092 176.565 174.700 -0.378 0.000 1.040 406 T CA 1.472 62.969 62.100 -1.006 0.000 1.156 406 T CB -0.543 67.848 68.868 -0.794 0.000 0.863 406 T HN 0.312 nan 8.240 nan 0.000 0.430 407 L N 0.131 121.206 121.223 -0.247 0.000 2.217 407 L HA -0.024 4.315 4.340 -0.002 0.000 0.211 407 L C 2.640 179.472 176.870 -0.062 0.000 1.107 407 L CA 1.014 55.769 54.840 -0.143 0.000 0.783 407 L CB -0.496 41.491 42.059 -0.121 0.000 0.919 407 L HN 0.310 nan 8.230 nan 0.000 0.442 408 T N -1.961 112.571 114.554 -0.037 0.000 3.087 408 T HA 0.113 4.461 4.350 -0.002 0.000 0.237 408 T C 0.767 175.495 174.700 0.047 0.000 0.990 408 T CA -0.206 61.896 62.100 0.003 0.000 1.160 408 T CB 0.211 69.078 68.868 -0.001 0.000 0.923 408 T HN 0.001 nan 8.240 nan 0.000 0.442 409 M N 2.832 122.483 119.600 0.084 0.000 2.246 409 M HA 0.420 4.898 4.480 -0.002 0.000 0.350 409 M C -0.369 176.034 176.300 0.171 0.000 1.406 409 M CA -0.431 54.945 55.300 0.127 0.000 1.089 409 M CB 0.234 32.940 32.600 0.176 0.000 1.782 409 M HN 0.219 nan 8.290 nan 0.000 0.457 410 A N 5.616 128.497 122.820 0.101 0.000 2.362 410 A HA 0.437 4.756 4.320 -0.002 0.000 0.276 410 A C -0.331 177.275 177.584 0.037 0.000 1.153 410 A CA -0.642 51.445 52.037 0.083 0.000 0.813 410 A CB 0.183 19.212 19.000 0.048 0.000 1.081 410 A HN 0.717 nan 8.150 nan 0.000 0.507 411 V N 3.679 123.591 119.914 -0.003 0.000 2.446 411 V HA 0.031 4.149 4.120 -0.002 0.000 0.276 411 V C 0.855 176.881 176.094 -0.113 0.000 1.030 411 V CA 0.120 62.331 62.300 -0.149 0.000 1.033 411 V CB 0.343 31.988 31.823 -0.298 0.000 0.993 411 V HN 0.937 nan 8.190 nan 0.000 0.477 412 E N 5.486 125.621 120.200 -0.108 0.000 2.129 412 E HA 0.305 4.653 4.350 -0.002 0.000 0.283 412 E C -0.837 175.709 176.600 -0.090 0.000 1.080 412 E CA -0.488 55.868 56.400 -0.073 0.000 0.867 412 E CB 0.588 30.258 29.700 -0.050 0.000 1.056 412 E HN 0.590 nan 8.360 nan 0.000 0.404 413 L N 6.478 127.650 121.223 -0.086 0.000 2.312 413 L HA 0.371 4.710 4.340 -0.002 0.000 0.281 413 L C -1.855 174.867 176.870 -0.247 0.000 1.070 413 L CA -1.969 52.786 54.840 -0.140 0.000 0.805 413 L CB 0.761 42.796 42.059 -0.039 0.000 1.174 413 L HN 0.506 nan 8.230 nan 0.000 0.434 414 P HA 0.059 nan 4.420 nan 0.000 0.271 414 P C -0.488 176.657 177.300 -0.259 0.000 1.244 414 P CA -0.240 62.581 63.100 -0.464 0.000 0.793 414 P CB 0.656 31.875 31.700 -0.801 0.000 0.984 415 D N -1.230 119.095 120.400 -0.125 0.000 2.240 415 D HA -0.093 4.545 4.640 -0.002 0.000 0.206 415 D C 1.890 178.209 176.300 0.032 0.000 0.963 415 D CA 1.156 55.139 54.000 -0.030 0.000 0.863 415 D CB -0.607 40.180 40.800 -0.022 0.000 0.973 415 D HN 0.346 nan 8.370 nan 0.000 0.501 416 S N 0.203 115.929 115.700 0.043 0.000 2.383 416 S HA -0.163 4.306 4.470 -0.002 0.000 0.229 416 S C 1.032 175.759 174.600 0.212 0.000 1.030 416 S CA 0.155 58.420 58.200 0.108 0.000 1.002 416 S CB -1.115 62.150 63.200 0.108 0.000 0.829 416 S HN 0.198 nan 8.310 nan 0.000 0.467 417 F N 3.601 123.531 119.950 -0.034 0.000 2.637 417 F HA -0.005 4.521 4.527 -0.003 0.000 0.372 417 F C 1.532 177.314 175.800 -0.031 0.000 1.107 417 F CA -0.020 57.953 58.000 -0.044 0.000 1.325 417 F CB 0.274 39.245 39.000 -0.049 0.000 1.016 417 F HN 0.342 nan 8.300 nan 0.000 0.593 418 S N 3.562 119.299 115.700 0.062 0.000 2.614 418 S HA 0.203 4.671 4.470 -0.002 0.000 0.265 418 S C -1.900 172.726 174.600 0.042 0.000 1.303 418 S CA -1.232 56.990 58.200 0.038 0.000 1.000 418 S CB 1.431 64.639 63.200 0.013 0.000 0.935 418 S HN 0.341 nan 8.310 nan 0.000 0.551 419 P HA -0.115 nan 4.420 nan 0.000 0.216 419 P C 1.611 178.927 177.300 0.027 0.000 1.153 419 P CA 1.169 64.292 63.100 0.037 0.000 0.848 419 P CB -0.099 31.621 31.700 0.033 0.000 0.787 420 E N -0.030 120.191 120.200 0.036 0.000 2.268 420 E HA -0.155 4.194 4.350 -0.002 0.000 0.195 420 E C 1.905 178.497 176.600 -0.012 0.000 0.995 420 E CA 0.923 57.357 56.400 0.057 0.000 0.836 420 E CB -1.198 28.570 29.700 0.115 0.000 0.763 420 E HN 0.214 nan 8.360 nan 0.000 0.491 421 L N 1.386 122.531 121.223 -0.130 0.000 2.044 421 L HA -0.014 4.325 4.340 -0.002 0.000 0.205 421 L C 2.931 179.684 176.870 -0.195 0.000 1.075 421 L CA 1.650 56.243 54.840 -0.410 0.000 0.747 421 L CB -0.456 41.287 42.059 -0.526 0.000 0.903 421 L HN 0.001 nan 8.230 nan 0.000 0.435 422 R N -1.134 119.348 120.500 -0.031 0.000 2.103 422 R HA -0.207 4.131 4.340 -0.002 0.000 0.242 422 R C 2.490 178.799 176.300 0.015 0.000 1.142 422 R CA 1.664 57.794 56.100 0.049 0.000 0.960 422 R CB -0.492 29.856 30.300 0.079 0.000 0.858 422 R HN 0.479 nan 8.270 nan 0.000 0.439 423 S N 0.203 115.906 115.700 0.004 0.000 2.365 423 S HA -0.184 4.285 4.470 -0.002 0.000 0.225 423 S C 1.808 176.414 174.600 0.010 0.000 1.039 423 S CA 1.546 59.756 58.200 0.015 0.000 1.033 423 S CB -0.294 62.924 63.200 0.030 0.000 0.887 423 S HN 0.365 nan 8.310 nan 0.000 0.447 424 L N 1.345 122.555 121.223 -0.021 0.000 1.988 424 L HA 0.127 4.465 4.340 -0.002 0.000 0.207 424 L C 2.286 179.153 176.870 -0.005 0.000 1.071 424 L CA 1.715 56.550 54.840 -0.008 0.000 0.744 424 L CB -0.744 41.262 42.059 -0.089 0.000 0.893 424 L HN 0.377 nan 8.230 nan 0.000 0.433 425 L N -0.126 121.075 121.223 -0.037 0.000 2.042 425 L HA -0.229 4.110 4.340 -0.002 0.000 0.210 425 L C 2.618 179.486 176.870 -0.003 0.000 1.076 425 L CA 1.919 56.755 54.840 -0.006 0.000 0.749 425 L CB -0.843 41.239 42.059 0.038 0.000 0.893 425 L HN 0.538 nan 8.230 nan 0.000 0.432 426 E N 0.016 120.222 120.200 0.009 0.000 2.347 426 E HA -0.126 4.223 4.350 -0.002 0.000 0.196 426 E C 2.074 178.690 176.600 0.027 0.000 1.008 426 E CA 0.992 57.400 56.400 0.013 0.000 0.852 426 E CB -0.292 29.421 29.700 0.021 0.000 0.783 426 E HN 0.423 nan 8.360 nan 0.000 0.505 427 G N 1.825 110.640 108.800 0.025 0.000 2.402 427 G HA2 -0.167 3.791 3.960 -0.002 0.000 0.216 427 G HA3 -0.167 3.791 3.960 -0.002 0.000 0.216 427 G C 1.615 176.541 174.900 0.044 0.000 1.162 427 G CA 0.622 45.739 45.100 0.028 0.000 0.777 427 G HN 0.174 nan 8.290 nan 0.000 0.539 428 L N -0.222 121.029 121.223 0.045 0.000 2.072 428 L HA 0.163 4.501 4.340 -0.002 0.000 0.205 428 L C 2.294 179.182 176.870 0.031 0.000 1.079 428 L CA 0.497 55.384 54.840 0.078 0.000 0.752 428 L CB -0.213 41.899 42.059 0.087 0.000 0.906 428 L HN 0.126 nan 8.230 nan 0.000 0.436 429 L N -0.229 120.943 121.223 -0.085 0.000 2.645 429 L HA 0.052 4.390 4.340 -0.002 0.000 0.234 429 L C 0.549 177.521 176.870 0.170 0.000 1.165 429 L CA -0.381 54.319 54.840 -0.232 0.000 0.944 429 L CB -0.294 41.590 42.059 -0.293 0.000 1.149 429 L HN 0.192 nan 8.230 nan 0.000 0.446 430 Q N 0.838 120.752 119.800 0.190 0.000 2.289 430 Q HA 0.023 4.362 4.340 -0.002 0.000 0.273 430 Q C 1.117 177.281 176.000 0.274 0.000 1.029 430 Q CA 0.577 56.497 55.803 0.195 0.000 0.896 430 Q CB 0.876 29.686 28.738 0.120 0.000 1.182 430 Q HN 0.166 nan 8.270 nan 0.000 0.385 431 R N 2.087 122.715 120.500 0.214 0.000 2.075 431 R HA -0.034 4.305 4.340 -0.002 0.000 0.232 431 R C -0.212 176.123 176.300 0.058 0.000 1.126 431 R CA 1.100 57.276 56.100 0.127 0.000 0.963 431 R CB 0.183 30.526 30.300 0.071 0.000 0.858 431 R HN 0.667 nan 8.270 nan 0.000 0.435 432 D N 0.695 121.131 120.400 0.060 0.000 2.401 432 D HA -0.023 4.616 4.640 -0.002 0.000 0.254 432 D C 1.130 177.460 176.300 0.050 0.000 1.192 432 D CA 0.114 54.137 54.000 0.039 0.000 0.885 432 D CB 1.510 42.331 40.800 0.035 0.000 1.147 432 D HN -0.150 nan 8.370 nan 0.000 0.478 433 V N 3.205 123.142 119.914 0.038 0.000 2.427 433 V HA -0.287 3.832 4.120 -0.002 0.000 0.248 433 V C 1.968 178.088 176.094 0.043 0.000 1.051 433 V CA 1.800 64.129 62.300 0.049 0.000 1.048 433 V CB -0.656 31.190 31.823 0.039 0.000 0.666 433 V HN 0.561 nan 8.190 nan 0.000 0.456 434 N N 1.004 119.722 118.700 0.030 0.000 2.520 434 N HA -0.199 4.540 4.740 -0.002 0.000 0.185 434 N C 1.647 177.167 175.510 0.018 0.000 1.068 434 N CA 1.144 54.207 53.050 0.022 0.000 0.911 434 N CB -0.407 38.091 38.487 0.018 0.000 0.961 434 N HN 0.457 nan 8.380 nan 0.000 0.446 435 R N -0.443 120.073 120.500 0.027 0.000 2.468 435 R HA 0.263 4.601 4.340 -0.002 0.000 0.280 435 R C -0.317 176.001 176.300 0.031 0.000 0.963 435 R CA -0.361 55.755 56.100 0.025 0.000 1.083 435 R CB 0.277 30.596 30.300 0.031 0.000 1.200 435 R HN 0.098 nan 8.270 nan 0.000 0.541 436 R N 0.569 121.089 120.500 0.032 0.000 2.604 436 R HA 0.318 4.656 4.340 -0.002 0.000 0.287 436 R C -0.767 175.513 176.300 -0.032 0.000 0.970 436 R CA -0.625 55.498 56.100 0.039 0.000 0.946 436 R CB 1.080 31.442 30.300 0.103 0.000 1.127 436 R HN 0.078 nan 8.270 nan 0.000 0.473 437 L N 2.942 124.122 121.223 -0.072 0.000 2.410 437 L HA 0.156 4.495 4.340 -0.002 0.000 0.273 437 L C 1.127 177.724 176.870 -0.455 0.000 1.152 437 L CA 1.166 55.888 54.840 -0.196 0.000 0.855 437 L CB 1.200 43.161 42.059 -0.164 0.000 1.129 437 L HN 1.123 nan 8.230 nan 0.000 0.463 438 G N 2.187 110.666 108.800 -0.534 0.000 2.157 438 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.239 438 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.239 438 G C 0.308 174.991 174.900 -0.362 0.000 0.982 438 G CA 0.003 44.596 45.100 -0.844 0.000 0.650 438 G HN 0.707 nan 8.290 nan 0.000 0.527 439 C N -0.009 119.189 119.300 -0.171 0.000 3.785 439 C HA 0.474 4.933 4.460 -0.002 0.000 0.312 439 C C 2.139 177.115 174.990 -0.024 0.000 1.566 439 C CA 0.306 59.309 59.018 -0.026 0.000 1.837 439 C CB -0.757 27.005 27.740 0.036 0.000 2.826 439 C HN 0.446 nan 8.230 nan 0.000 0.667 440 L N 0.910 122.100 121.223 -0.054 0.000 2.446 440 L HA 0.331 4.670 4.340 -0.002 0.000 0.219 440 L C 1.948 178.803 176.870 -0.025 0.000 1.116 440 L CA 1.441 56.261 54.840 -0.034 0.000 0.844 440 L CB -0.199 41.834 42.059 -0.044 0.000 0.970 440 L HN 0.583 nan 8.230 nan 0.000 0.457 441 G N -0.025 108.757 108.800 -0.031 0.000 3.819 441 G HA2 -0.122 3.836 3.960 -0.002 0.000 0.210 441 G HA3 -0.122 3.836 3.960 -0.002 0.000 0.210 441 G C 1.018 175.902 174.900 -0.026 0.000 1.018 441 G CA -0.463 44.626 45.100 -0.018 0.000 0.882 441 G HN 0.163 nan 8.290 nan 0.000 0.377 442 R N 1.266 121.734 120.500 -0.053 0.000 2.334 442 R HA 0.466 4.805 4.340 -0.002 0.000 0.216 442 R C 1.771 178.025 176.300 -0.077 0.000 0.905 442 R CA 0.678 56.740 56.100 -0.064 0.000 1.064 442 R CB 0.424 30.675 30.300 -0.080 0.000 1.046 442 R HN 0.892 nan 8.270 nan 0.000 0.508 443 G N 1.590 110.344 108.800 -0.077 0.000 2.622 443 G HA2 -0.487 3.472 3.960 -0.002 0.000 0.307 443 G HA3 -0.487 3.472 3.960 -0.002 0.000 0.307 443 G C 1.072 175.870 174.900 -0.170 0.000 1.226 443 G CA 0.486 45.562 45.100 -0.041 0.000 0.997 443 G HN 0.350 nan 8.290 nan 0.000 0.551 444 A N -1.286 121.540 122.820 0.011 0.000 2.024 444 A HA -0.035 4.284 4.320 -0.002 0.000 0.220 444 A C 2.308 179.730 177.584 -0.270 0.000 1.164 444 A CA 2.832 54.828 52.037 -0.068 0.000 0.643 444 A CB -0.463 18.651 19.000 0.189 0.000 0.806 444 A HN 1.075 nan 8.150 nan 0.000 0.451 445 Q N 0.300 119.964 119.800 -0.227 0.000 2.170 445 Q HA -0.164 4.174 4.340 -0.002 0.000 0.203 445 Q C 1.702 177.549 176.000 -0.254 0.000 0.976 445 Q CA 2.109 57.755 55.803 -0.262 0.000 0.858 445 Q CB -0.369 28.261 28.738 -0.181 0.000 0.907 445 Q HN 0.776 nan 8.270 nan 0.000 0.433 446 E N -1.203 118.849 120.200 -0.247 0.000 2.106 446 E HA -0.121 4.228 4.350 -0.002 0.000 0.192 446 E C 1.861 178.340 176.600 -0.201 0.000 0.984 446 E CA 1.314 57.589 56.400 -0.207 0.000 0.806 446 E CB 0.115 29.682 29.700 -0.221 0.000 0.750 446 E HN 0.204 nan 8.360 nan 0.000 0.458 447 V N 1.467 121.199 119.914 -0.303 0.000 2.379 447 V HA -0.218 3.900 4.120 -0.002 0.000 0.245 447 V C 2.053 178.073 176.094 -0.122 0.000 1.044 447 V CA 1.545 63.727 62.300 -0.198 0.000 1.036 447 V CB -0.392 31.245 31.823 -0.310 0.000 0.664 447 V HN 0.153 nan 8.190 nan 0.000 0.453 448 K N 0.927 121.097 120.400 -0.383 0.000 2.020 448 K HA -0.235 4.084 4.320 -0.002 0.000 0.212 448 K C 1.912 178.458 176.600 -0.090 0.000 1.050 448 K CA 2.021 57.931 56.287 -0.628 0.000 0.929 448 K CB -0.281 31.532 32.500 -1.145 0.000 0.714 448 K HN 0.753 nan 8.250 nan 0.000 0.443 449 E N 1.227 121.374 120.200 -0.089 0.000 2.485 449 E HA -0.005 4.343 4.350 -0.002 0.000 0.194 449 E C 0.057 176.727 176.600 0.117 0.000 1.098 449 E CA -0.114 56.310 56.400 0.039 0.000 0.878 449 E CB 0.260 29.945 29.700 -0.025 0.000 0.939 449 E HN -0.034 nan 8.360 nan 0.000 0.503 450 S N 1.959 117.775 115.700 0.194 0.000 2.573 450 S HA 0.051 4.519 4.470 -0.002 0.000 0.277 450 S C -1.167 173.578 174.600 0.241 0.000 1.346 450 S CA -1.265 57.070 58.200 0.226 0.000 1.034 450 S CB 0.889 64.282 63.200 0.323 0.000 0.879 450 S HN 0.072 nan 8.310 nan 0.000 0.528 451 P HA -0.100 nan 4.420 nan 0.000 0.219 451 P C 1.257 178.632 177.300 0.126 0.000 1.146 451 P CA 0.903 64.078 63.100 0.125 0.000 0.808 451 P CB -0.103 31.651 31.700 0.090 0.000 0.779 452 F N 0.628 120.544 119.950 -0.056 0.000 2.146 452 F HA -0.039 4.487 4.527 -0.003 0.000 0.298 452 F C 1.352 176.947 175.800 -0.342 0.000 1.096 452 F CA 0.997 58.835 58.000 -0.270 0.000 1.275 452 F CB -0.819 37.898 39.000 -0.472 0.000 1.008 452 F HN -0.285 nan 8.300 nan 0.000 0.480 453 F N 0.504 120.428 119.950 -0.044 0.000 2.873 453 F HA 0.287 4.813 4.527 -0.002 0.000 0.289 453 F C 1.877 177.648 175.800 -0.048 0.000 1.206 453 F CA -0.147 57.772 58.000 -0.136 0.000 1.401 453 F CB -0.709 38.415 39.000 0.206 0.000 0.996 453 F HN -0.136 nan 8.300 nan 0.000 0.511 454 R N 0.306 120.823 120.500 0.028 0.000 2.235 454 R HA -0.101 4.238 4.340 -0.002 0.000 0.213 454 R C 2.075 178.373 176.300 -0.003 0.000 1.059 454 R CA 1.436 57.566 56.100 0.050 0.000 0.997 454 R CB 0.031 30.345 30.300 0.023 0.000 0.884 454 R HN 0.356 nan 8.270 nan 0.000 0.462 455 S N -0.408 115.239 115.700 -0.088 0.000 2.458 455 S HA 0.093 4.562 4.470 -0.002 0.000 0.223 455 S C 0.851 175.388 174.600 -0.104 0.000 1.019 455 S CA -0.133 58.001 58.200 -0.110 0.000 0.937 455 S CB -0.057 63.033 63.200 -0.183 0.000 0.788 455 S HN 0.123 nan 8.310 nan 0.000 0.511 456 L N 2.258 123.388 121.223 -0.154 0.000 2.436 456 L HA 0.421 4.759 4.340 -0.002 0.000 0.265 456 L C -0.115 176.713 176.870 -0.070 0.000 1.168 456 L CA -0.476 54.257 54.840 -0.179 0.000 0.815 456 L CB 0.342 42.115 42.059 -0.477 0.000 1.109 456 L HN 0.109 nan 8.230 nan 0.000 0.462 457 D N 0.889 121.330 120.400 0.068 0.000 2.443 457 D HA 0.106 4.744 4.640 -0.002 0.000 0.221 457 D C 0.389 176.714 176.300 0.042 0.000 1.097 457 D CA -0.328 53.713 54.000 0.068 0.000 0.865 457 D CB 0.686 41.523 40.800 0.062 0.000 1.034 457 D HN 0.307 nan 8.370 nan 0.000 0.511 458 W N 2.164 123.498 121.300 0.056 0.000 2.392 458 W HA -0.143 4.516 4.660 -0.002 0.000 0.279 458 W C 2.242 178.787 176.519 0.043 0.000 1.225 458 W CA 0.330 57.699 57.345 0.041 0.000 1.233 458 W CB -0.024 29.436 29.460 -0.000 0.000 1.122 458 W HN 0.463 nan 8.180 nan 0.000 0.561 459 Q N 0.216 120.146 119.800 0.216 0.000 2.096 459 Q HA -0.221 4.118 4.340 -0.002 0.000 0.204 459 Q C 2.030 178.091 176.000 0.101 0.000 0.982 459 Q CA 1.956 57.843 55.803 0.141 0.000 0.850 459 Q CB -0.524 28.251 28.738 0.062 0.000 0.901 459 Q HN 0.132 nan 8.270 nan 0.000 0.422 460 M N -0.777 118.796 119.600 -0.045 0.000 2.175 460 M HA -0.110 4.368 4.480 -0.002 0.000 0.264 460 M C 2.103 178.248 176.300 -0.258 0.000 1.063 460 M CA 0.903 56.057 55.300 -0.244 0.000 1.119 460 M CB -0.947 31.329 32.600 -0.540 0.000 1.377 460 M HN 0.124 nan 8.290 nan 0.000 0.415 461 V N 0.381 120.208 119.914 -0.146 0.000 2.233 461 V HA -0.304 3.815 4.120 -0.002 0.000 0.247 461 V C 2.261 178.485 176.094 0.217 0.000 1.050 461 V CA 2.186 64.485 62.300 -0.001 0.000 1.010 461 V CB -1.123 30.691 31.823 -0.014 0.000 0.637 461 V HN 0.309 nan 8.190 nan 0.000 0.444 462 F N 0.425 120.495 119.950 0.201 0.000 2.115 462 F HA -0.234 4.292 4.527 -0.002 0.000 0.300 462 F C 1.916 177.753 175.800 0.063 0.000 1.092 462 F CA 1.725 59.891 58.000 0.277 0.000 1.245 462 F CB -0.160 38.940 39.000 0.167 0.000 0.995 462 F HN 0.048 nan 8.300 nan 0.000 0.481 463 L N 0.619 121.852 121.223 0.016 0.000 2.675 463 L HA -0.072 4.266 4.340 -0.002 0.000 0.238 463 L C 0.570 177.312 176.870 -0.213 0.000 1.155 463 L CA 0.398 55.147 54.840 -0.151 0.000 0.881 463 L CB -0.991 41.033 42.059 -0.058 0.000 1.008 463 L HN 0.267 nan 8.230 nan 0.000 0.443 464 Q N 0.130 119.834 119.800 -0.160 0.000 2.439 464 Q HA -0.248 4.091 4.340 -0.002 0.000 0.325 464 Q C 0.861 176.806 176.000 -0.091 0.000 1.372 464 Q CA 0.312 55.997 55.803 -0.198 0.000 0.909 464 Q CB -0.613 27.774 28.738 -0.584 0.000 1.167 464 Q HN 0.377 nan 8.270 nan 0.000 0.418 465 K N -0.674 119.702 120.400 -0.040 0.000 2.365 465 K HA 0.116 4.434 4.320 -0.002 0.000 0.195 465 K C 0.196 176.830 176.600 0.056 0.000 1.079 465 K CA 0.418 56.672 56.287 -0.056 0.000 0.979 465 K CB 0.440 32.829 32.500 -0.185 0.000 0.929 465 K HN 0.329 nan 8.250 nan 0.000 0.523 466 Y N 3.302 123.710 120.300 0.179 0.000 2.497 466 Y HA 0.012 4.561 4.550 -0.002 0.000 0.334 466 Y C -1.732 174.282 175.900 0.190 0.000 1.199 466 Y CA -1.905 56.300 58.100 0.175 0.000 1.425 466 Y CB 0.183 38.765 38.460 0.205 0.000 1.291 466 Y HN 0.042 nan 8.280 nan 0.000 0.562 467 P HA 0.118 nan 4.420 nan 0.000 0.276 467 P C -2.655 174.324 177.300 -0.534 0.000 1.235 467 P CA -1.514 61.517 63.100 -0.115 0.000 0.772 467 P CB 0.695 32.332 31.700 -0.105 0.000 0.871 468 P HA 0.126 nan 4.420 nan 0.000 0.272 468 P C -1.515 175.301 177.300 -0.805 0.000 1.223 468 P CA -1.171 61.162 63.100 -1.278 0.000 0.784 468 P CB -0.417 30.823 31.700 -0.767 0.000 0.923 469 P HA 0.043 nan 4.420 nan 0.000 0.219 469 P C 0.070 177.225 177.300 -0.242 0.000 1.154 469 P CA 1.053 63.904 63.100 -0.415 0.000 0.826 469 P CB 0.609 32.103 31.700 -0.344 0.000 0.795 470 L N 0.075 121.176 121.223 -0.203 0.000 2.365 470 L HA 0.528 4.866 4.340 -0.002 0.000 0.273 470 L C -0.927 175.863 176.870 -0.134 0.000 1.000 470 L CA -1.036 53.720 54.840 -0.141 0.000 0.819 470 L CB 1.854 43.846 42.059 -0.111 0.000 1.284 470 L HN -0.284 nan 8.230 nan 0.000 0.418 471 I N 5.456 125.962 120.570 -0.107 0.000 2.448 471 I HA 0.336 4.504 4.170 -0.002 0.000 0.281 471 I C -2.098 173.997 176.117 -0.037 0.000 1.027 471 I CA -1.821 59.445 61.300 -0.057 0.000 1.111 471 I CB 1.583 39.564 38.000 -0.032 0.000 1.236 471 I HN 0.435 nan 8.210 nan 0.000 0.452 472 P HA 0.080 nan 4.420 nan 0.000 0.265 472 P C -2.229 175.121 177.300 0.084 0.000 1.187 472 P CA -0.465 62.686 63.100 0.085 0.000 0.766 472 P CB -0.248 31.569 31.700 0.195 0.000 0.820 473 P HA 0.278 nan 4.420 nan 0.000 0.274 473 P C -0.190 177.151 177.300 0.068 0.000 1.246 473 P CA -0.234 62.913 63.100 0.079 0.000 0.795 473 P CB 1.243 32.999 31.700 0.093 0.000 1.006 491 E N 2.232 122.444 120.200 0.020 0.000 2.467 491 E HA 0.032 4.380 4.350 -0.002 0.000 0.321 491 E C -0.408 176.203 176.600 0.019 0.000 1.388 491 E CA 0.060 56.471 56.400 0.019 0.000 1.508 491 E CB 0.283 29.992 29.700 0.016 0.000 1.250 491 E HN 0.219 nan 8.360 nan 0.000 0.500 492 D N -0.130 120.284 120.400 0.022 0.000 2.379 492 D HA -0.069 4.570 4.640 -0.002 0.000 0.218 492 D C 1.501 177.816 176.300 0.024 0.000 1.006 492 D CA 0.803 54.817 54.000 0.023 0.000 0.893 492 D CB 0.473 41.289 40.800 0.027 0.000 1.019 492 D HN 0.248 nan 8.370 nan 0.000 0.503 493 T N -1.247 113.322 114.554 0.026 0.000 3.284 493 T HA 0.237 4.585 4.350 -0.002 0.000 0.249 493 T C 0.957 175.669 174.700 0.019 0.000 0.944 493 T CA -0.376 61.739 62.100 0.025 0.000 0.919 493 T CB -0.012 68.874 68.868 0.030 0.000 1.089 493 T HN -0.126 nan 8.240 nan 0.000 0.576 494 K N 0.308 120.718 120.400 0.016 0.000 2.404 494 K HA 0.213 4.531 4.320 -0.002 0.000 0.194 494 K C 1.589 178.195 176.600 0.011 0.000 1.023 494 K CA 0.089 56.384 56.287 0.013 0.000 1.094 494 K CB 0.338 32.846 32.500 0.012 0.000 0.841 494 K HN 0.469 nan 8.250 nan 0.000 0.523 495 G N 1.105 109.912 108.800 0.013 0.000 3.707 495 G HA2 0.278 4.237 3.960 -0.002 0.000 0.286 495 G HA3 0.278 4.237 3.960 -0.002 0.000 0.286 495 G C -0.076 174.831 174.900 0.011 0.000 1.112 495 G CA -0.168 44.938 45.100 0.011 0.000 0.861 495 G HN 0.038 nan 8.290 nan 0.000 0.534 496 I N 0.468 121.044 120.570 0.011 0.000 2.563 496 I HA 0.278 4.447 4.170 -0.002 0.000 0.285 496 I C -0.996 175.126 176.117 0.009 0.000 1.123 496 I CA -0.862 60.444 61.300 0.010 0.000 1.059 496 I CB 2.323 40.331 38.000 0.013 0.000 1.229 496 I HN -0.140 nan 8.210 nan 0.000 0.442 497 K N 5.537 125.941 120.400 0.007 0.000 2.087 497 K HA 0.624 4.943 4.320 -0.002 0.000 0.255 497 K C -0.714 175.890 176.600 0.006 0.000 0.988 497 K CA -0.319 55.971 56.287 0.006 0.000 0.915 497 K CB 1.150 33.652 32.500 0.004 0.000 1.043 497 K HN 0.452 nan 8.250 nan 0.000 0.457 498 L N 3.515 124.742 121.223 0.007 0.000 2.287 498 L HA 0.313 4.652 4.340 -0.002 0.000 0.280 498 L C -0.593 176.284 176.870 0.011 0.000 1.055 498 L CA -0.460 54.387 54.840 0.011 0.000 0.863 498 L CB 0.010 42.077 42.059 0.012 0.000 1.245 498 L HN 0.342 nan 8.230 nan 0.000 0.432 499 L N 2.448 123.676 121.223 0.008 0.000 2.464 499 L HA 0.095 4.434 4.340 -0.002 0.000 0.264 499 L C 1.335 178.210 176.870 0.009 0.000 1.199 499 L CA -0.387 54.456 54.840 0.005 0.000 0.818 499 L CB 0.627 42.685 42.059 -0.001 0.000 1.102 499 L HN 0.601 nan 8.230 nan 0.000 0.473 500 D N -0.909 119.495 120.400 0.007 0.000 2.349 500 D HA -0.111 4.528 4.640 -0.002 0.000 0.224 500 D C 1.519 177.821 176.300 0.004 0.000 1.029 500 D CA 0.916 54.923 54.000 0.011 0.000 0.879 500 D CB 0.057 40.863 40.800 0.010 0.000 0.906 500 D HN 0.559 nan 8.370 nan 0.000 0.528 501 S N 0.394 116.090 115.700 -0.006 0.000 2.406 501 S HA -0.103 4.366 4.470 -0.002 0.000 0.224 501 S C 1.332 175.910 174.600 -0.037 0.000 1.030 501 S CA 0.539 58.728 58.200 -0.018 0.000 0.958 501 S CB -0.131 63.058 63.200 -0.020 0.000 0.811 501 S HN -0.046 nan 8.310 nan 0.000 0.489 502 D N 1.645 122.026 120.400 -0.032 0.000 2.183 502 D HA -0.005 4.633 4.640 -0.002 0.000 0.203 502 D C 2.206 178.470 176.300 -0.060 0.000 0.969 502 D CA 0.849 54.813 54.000 -0.059 0.000 0.842 502 D CB -0.261 40.525 40.800 -0.024 0.000 0.957 502 D HN 0.372 nan 8.370 nan 0.000 0.484 503 Q N 0.403 120.211 119.800 0.015 0.000 2.224 503 Q HA -0.099 4.239 4.340 -0.002 0.000 0.203 503 Q C 1.573 177.601 176.000 0.047 0.000 0.970 503 Q CA 0.758 56.613 55.803 0.086 0.000 0.865 503 Q CB 0.033 28.827 28.738 0.094 0.000 0.922 503 Q HN 0.461 nan 8.270 nan 0.000 0.445 504 E N 0.483 120.675 120.200 -0.013 0.000 2.274 504 E HA -0.098 4.251 4.350 -0.002 0.000 0.194 504 E C 1.911 178.462 176.600 -0.082 0.000 0.996 504 E CA 0.236 56.623 56.400 -0.022 0.000 0.840 504 E CB -0.020 29.668 29.700 -0.021 0.000 0.772 504 E HN 0.188 nan 8.360 nan 0.000 0.491 505 L N 0.003 121.104 121.223 -0.203 0.000 2.275 505 L HA -0.150 4.188 4.340 -0.002 0.000 0.215 505 L C 1.022 177.663 176.870 -0.383 0.000 1.119 505 L CA 1.274 55.911 54.840 -0.337 0.000 0.790 505 L CB -0.160 41.594 42.059 -0.507 0.000 0.919 505 L HN 0.081 nan 8.230 nan 0.000 0.443 506 Y N -2.089 118.167 120.300 -0.072 0.000 2.658 506 Y HA 0.242 4.790 4.550 -0.002 0.000 0.276 506 Y C 2.017 177.837 175.900 -0.134 0.000 1.167 506 Y CA -0.324 57.700 58.100 -0.128 0.000 1.230 506 Y CB -0.584 37.659 38.460 -0.361 0.000 1.144 506 Y HN 0.058 nan 8.280 nan 0.000 0.529 507 R N 1.001 121.531 120.500 0.049 0.000 2.081 507 R HA -0.112 4.227 4.340 -0.002 0.000 0.235 507 R C 0.210 176.556 176.300 0.078 0.000 1.131 507 R CA 1.613 57.751 56.100 0.063 0.000 0.960 507 R CB 0.085 30.414 30.300 0.048 0.000 0.856 507 R HN 0.196 nan 8.270 nan 0.000 0.436 508 N N 0.298 119.046 118.700 0.080 0.000 2.453 508 N HA 0.003 4.741 4.740 -0.002 0.000 0.270 508 N C 0.035 175.603 175.510 0.098 0.000 1.195 508 N CA -0.053 53.045 53.050 0.080 0.000 0.902 508 N CB 0.233 38.751 38.487 0.053 0.000 1.186 508 N HN 0.168 nan 8.380 nan 0.000 0.510 509 F N 2.667 122.583 119.950 -0.058 0.000 2.060 509 F HA 0.104 4.629 4.527 -0.003 0.000 0.295 509 F C -1.200 174.582 175.800 -0.030 0.000 1.120 509 F CA 0.331 58.286 58.000 -0.075 0.000 1.205 509 F CB -0.899 37.961 39.000 -0.232 0.000 0.986 509 F HN -0.003 nan 8.300 nan 0.000 0.470 510 P HA 0.185 nan 4.420 nan 0.000 0.268 510 P C -1.030 176.281 177.300 0.018 0.000 1.205 510 P CA 0.321 63.496 63.100 0.124 0.000 0.771 510 P CB 1.598 33.477 31.700 0.297 0.000 0.858 511 L N 2.388 123.618 121.223 0.013 0.000 2.540 511 L HA 0.611 4.950 4.340 -0.002 0.000 0.256 511 L C -1.143 175.768 176.870 0.068 0.000 1.001 511 L CA -0.082 54.761 54.840 0.005 0.000 0.843 511 L CB 2.286 44.309 42.059 -0.060 0.000 1.436 511 L HN 0.322 nan 8.230 nan 0.000 0.410 512 T N 4.319 118.895 114.554 0.036 0.000 3.031 512 T HA 0.531 4.879 4.350 -0.002 0.000 0.305 512 T C -0.728 173.956 174.700 -0.027 0.000 0.985 512 T CA -0.300 61.820 62.100 0.033 0.000 1.008 512 T CB 0.884 69.795 68.868 0.072 0.000 1.005 512 T HN 0.361 nan 8.240 nan 0.000 0.444 513 I N 2.950 123.476 120.570 -0.073 0.000 2.452 513 I HA 0.125 4.294 4.170 -0.002 0.000 0.287 513 I C 1.793 177.919 176.117 0.015 0.000 1.079 513 I CA 0.271 61.553 61.300 -0.031 0.000 1.387 513 I CB 1.175 39.153 38.000 -0.038 0.000 1.404 513 I HN 0.670 nan 8.210 nan 0.000 0.522 514 S N 5.544 121.272 115.700 0.047 0.000 2.343 514 S HA -0.185 4.284 4.470 -0.002 0.000 0.219 514 S C 1.699 176.392 174.600 0.154 0.000 1.033 514 S CA 1.721 59.983 58.200 0.103 0.000 1.014 514 S CB -0.010 63.240 63.200 0.083 0.000 0.915 514 S HN 0.760 nan 8.310 nan 0.000 0.435 515 E N 0.312 120.565 120.200 0.089 0.000 2.204 515 E HA -0.139 4.210 4.350 -0.002 0.000 0.194 515 E C 2.251 178.876 176.600 0.042 0.000 0.989 515 E CA 0.510 56.947 56.400 0.061 0.000 0.824 515 E CB -0.267 29.449 29.700 0.026 0.000 0.756 515 E HN 0.336 nan 8.360 nan 0.000 0.477 516 R N 0.470 120.995 120.500 0.042 0.000 2.062 516 R HA -0.135 4.204 4.340 -0.002 0.000 0.231 516 R C 1.943 178.274 176.300 0.052 0.000 1.136 516 R CA 1.736 57.846 56.100 0.016 0.000 0.948 516 R CB -0.882 29.396 30.300 -0.037 0.000 0.845 516 R HN 0.408 nan 8.270 nan 0.000 0.430 517 W N 2.385 123.628 121.300 -0.095 0.000 2.338 517 W HA -0.208 4.451 4.660 -0.002 0.000 0.304 517 W C 2.057 178.594 176.519 0.030 0.000 1.212 517 W CA 1.452 58.806 57.345 0.016 0.000 1.264 517 W CB -0.121 29.383 29.460 0.073 0.000 1.142 517 W HN 0.160 nan 8.180 nan 0.000 0.512 518 Q N -0.342 119.527 119.800 0.116 0.000 2.119 518 Q HA -0.281 4.057 4.340 -0.002 0.000 0.201 518 Q C 2.146 177.968 176.000 -0.296 0.000 0.972 518 Q CA 1.733 57.442 55.803 -0.157 0.000 0.847 518 Q CB -0.365 28.401 28.738 0.047 0.000 0.903 518 Q HN 0.308 nan 8.270 nan 0.000 0.433 519 Q N 1.222 120.920 119.800 -0.169 0.000 2.079 519 Q HA -0.188 4.151 4.340 -0.002 0.000 0.200 519 Q C 1.680 177.567 176.000 -0.188 0.000 0.974 519 Q CA 1.689 57.392 55.803 -0.166 0.000 0.840 519 Q CB -0.077 28.603 28.738 -0.096 0.000 0.898 519 Q HN 0.362 nan 8.270 nan 0.000 0.430 520 E N -0.926 119.176 120.200 -0.164 0.000 2.033 520 E HA -0.215 4.134 4.350 -0.002 0.000 0.199 520 E C 1.830 178.289 176.600 -0.236 0.000 1.011 520 E CA 1.991 58.309 56.400 -0.137 0.000 0.815 520 E CB -0.144 29.551 29.700 -0.009 0.000 0.755 520 E HN 0.273 nan 8.360 nan 0.000 0.451 521 V N 1.247 120.886 119.914 -0.458 0.000 2.332 521 V HA -0.308 3.810 4.120 -0.002 0.000 0.248 521 V C 2.477 178.385 176.094 -0.309 0.000 1.055 521 V CA 1.900 63.922 62.300 -0.464 0.000 1.038 521 V CB -0.905 30.398 31.823 -0.867 0.000 0.651 521 V HN 0.500 nan 8.190 nan 0.000 0.450 522 A N 0.866 123.454 122.820 -0.386 0.000 1.883 522 A HA -0.259 4.060 4.320 -0.002 0.000 0.217 522 A C 2.146 179.648 177.584 -0.137 0.000 1.186 522 A CA 1.935 53.771 52.037 -0.334 0.000 0.624 522 A CB -0.504 18.277 19.000 -0.365 0.000 0.822 522 A HN 0.793 nan 8.150 nan 0.000 0.444 523 E N -0.363 119.762 120.200 -0.126 0.000 2.494 523 E HA 0.003 4.351 4.350 -0.002 0.000 0.193 523 E C 1.056 177.629 176.600 -0.045 0.000 1.074 523 E CA 1.090 57.447 56.400 -0.072 0.000 0.867 523 E CB -0.200 29.452 29.700 -0.080 0.000 0.924 523 E HN 0.685 nan 8.360 nan 0.000 0.502 524 T N -1.948 112.582 114.554 -0.040 0.000 3.364 524 T HA 0.061 4.409 4.350 -0.002 0.000 0.179 524 T C 1.653 176.366 174.700 0.023 0.000 0.939 524 T CA 0.535 62.628 62.100 -0.012 0.000 1.094 524 T CB -0.389 68.466 68.868 -0.021 0.000 1.532 524 T HN 0.120 nan 8.240 nan 0.000 0.346 525 V N -0.549 119.387 119.914 0.037 0.000 3.647 525 V HA 0.426 4.544 4.120 -0.002 0.000 0.279 525 V C 1.938 178.112 176.094 0.133 0.000 1.314 525 V CA 0.261 62.611 62.300 0.084 0.000 1.125 525 V CB -1.238 30.649 31.823 0.108 0.000 0.907 525 V HN 0.445 nan 8.190 nan 0.000 0.434 526 F N 2.324 122.227 119.950 -0.078 0.000 2.146 526 F HA -0.024 4.501 4.527 -0.003 0.000 0.298 526 F C 1.893 177.700 175.800 0.013 0.000 1.096 526 F CA 2.222 60.137 58.000 -0.142 0.000 1.275 526 F CB -0.148 38.636 39.000 -0.360 0.000 1.008 526 F HN 0.207 nan 8.300 nan 0.000 0.480 527 D N -0.410 120.008 120.400 0.029 0.000 2.097 527 D HA -0.157 4.482 4.640 -0.002 0.000 0.195 527 D C 2.479 178.750 176.300 -0.049 0.000 0.989 527 D CA 2.310 56.291 54.000 -0.031 0.000 0.827 527 D CB -0.655 40.177 40.800 0.054 0.000 0.966 527 D HN 0.439 nan 8.370 nan 0.000 0.456 528 T N -1.459 113.096 114.554 0.002 0.000 2.942 528 T HA 0.017 4.365 4.350 -0.002 0.000 0.265 528 T C 2.258 176.968 174.700 0.016 0.000 1.062 528 T CA 0.400 62.507 62.100 0.012 0.000 1.139 528 T CB -0.342 68.541 68.868 0.026 0.000 0.883 528 T HN 0.112 nan 8.240 nan 0.000 0.468 529 I N 1.615 122.214 120.570 0.048 0.000 2.353 529 I HA -0.092 4.076 4.170 -0.002 0.000 0.248 529 I C 2.456 178.595 176.117 0.037 0.000 1.119 529 I CA 0.762 62.108 61.300 0.077 0.000 1.417 529 I CB -0.416 37.714 38.000 0.217 0.000 1.078 529 I HN 0.190 nan 8.210 nan 0.000 0.421 530 N N 1.438 120.141 118.700 0.004 0.000 2.104 530 N HA -0.178 4.561 4.740 -0.002 0.000 0.190 530 N C 1.881 177.382 175.510 -0.015 0.000 1.024 530 N CA 1.766 54.801 53.050 -0.024 0.000 0.853 530 N CB -0.402 37.992 38.487 -0.155 0.000 1.008 530 N HN 0.348 nan 8.380 nan 0.000 0.424 531 A N 0.734 123.543 122.820 -0.017 0.000 1.933 531 A HA -0.168 4.151 4.320 -0.002 0.000 0.218 531 A C 2.162 179.745 177.584 -0.003 0.000 1.175 531 A CA 1.663 53.699 52.037 -0.002 0.000 0.628 531 A CB -0.533 18.468 19.000 0.001 0.000 0.814 531 A HN 0.475 nan 8.150 nan 0.000 0.444 532 E N -0.241 119.954 120.200 -0.007 0.000 2.072 532 E HA -0.169 4.179 4.350 -0.002 0.000 0.191 532 E C 2.036 178.621 176.600 -0.024 0.000 0.985 532 E CA 1.781 58.173 56.400 -0.013 0.000 0.801 532 E CB -0.194 29.498 29.700 -0.013 0.000 0.750 532 E HN 0.692 nan 8.360 nan 0.000 0.452 533 T N -1.547 112.985 114.554 -0.037 0.000 3.055 533 T HA -0.071 4.277 4.350 -0.002 0.000 0.265 533 T C 1.290 175.970 174.700 -0.033 0.000 1.111 533 T CA 0.967 63.035 62.100 -0.054 0.000 1.118 533 T CB -0.086 68.720 68.868 -0.103 0.000 0.909 533 T HN 0.019 nan 8.240 nan 0.000 0.501 534 D N 1.531 121.923 120.400 -0.014 0.000 2.117 534 D HA 0.015 4.654 4.640 -0.002 0.000 0.198 534 D C 2.474 178.773 176.300 -0.002 0.000 0.982 534 D CA 0.864 54.864 54.000 0.001 0.000 0.828 534 D CB -0.190 40.619 40.800 0.016 0.000 0.967 534 D HN 0.426 nan 8.370 nan 0.000 0.464 535 R N 0.055 120.553 120.500 -0.004 0.000 2.081 535 R HA -0.057 4.282 4.340 -0.002 0.000 0.235 535 R C 2.555 178.851 176.300 -0.008 0.000 1.131 535 R CA 0.624 56.722 56.100 -0.003 0.000 0.960 535 R CB -0.397 29.901 30.300 -0.003 0.000 0.856 535 R HN 0.199 nan 8.270 nan 0.000 0.436 536 L N 0.689 121.903 121.223 -0.015 0.000 1.989 536 L HA -0.208 4.130 4.340 -0.002 0.000 0.211 536 L C 2.161 179.023 176.870 -0.014 0.000 1.071 536 L CA 1.587 56.417 54.840 -0.018 0.000 0.749 536 L CB -0.294 41.748 42.059 -0.028 0.000 0.890 536 L HN 0.215 nan 8.230 nan 0.000 0.431 537 E N -0.571 119.620 120.200 -0.016 0.000 2.268 537 E HA -0.153 4.195 4.350 -0.002 0.000 0.195 537 E C 2.097 178.690 176.600 -0.011 0.000 0.995 537 E CA 0.824 57.216 56.400 -0.013 0.000 0.836 537 E CB -0.049 29.643 29.700 -0.013 0.000 0.763 537 E HN 0.512 nan 8.360 nan 0.000 0.491 538 A N 0.849 123.664 122.820 -0.009 0.000 1.975 538 A HA -0.014 4.305 4.320 -0.002 0.000 0.215 538 A C 1.973 179.552 177.584 -0.008 0.000 1.170 538 A CA 0.465 52.497 52.037 -0.008 0.000 0.656 538 A CB 0.010 19.009 19.000 -0.002 0.000 0.821 538 A HN 0.012 nan 8.150 nan 0.000 0.449 539 R N -0.333 120.163 120.500 -0.005 0.000 2.073 539 R HA -0.072 4.267 4.340 -0.002 0.000 0.229 539 R C 2.241 178.540 176.300 -0.002 0.000 1.120 539 R CA 1.568 57.666 56.100 -0.003 0.000 0.967 539 R CB -0.183 30.115 30.300 -0.003 0.000 0.862 539 R HN 0.521 nan 8.270 nan 0.000 0.436 540 K N 1.125 121.523 120.400 -0.004 0.000 2.097 540 K HA -0.165 4.154 4.320 -0.002 0.000 0.205 540 K C 2.032 178.630 176.600 -0.003 0.000 1.050 540 K CA 1.345 57.632 56.287 -0.000 0.000 0.938 540 K CB 0.099 32.600 32.500 0.001 0.000 0.718 540 K HN -0.063 nan 8.250 nan 0.000 0.442 541 K N -0.064 120.327 120.400 -0.016 0.000 2.057 541 K HA -0.076 4.243 4.320 -0.002 0.000 0.206 541 K C 1.938 178.520 176.600 -0.029 0.000 1.050 541 K CA 1.121 57.385 56.287 -0.039 0.000 0.935 541 K CB -0.125 32.342 32.500 -0.055 0.000 0.715 541 K HN 0.198 nan 8.250 nan 0.000 0.439 542 A N 1.593 124.405 122.820 -0.012 0.000 1.933 542 A HA -0.183 4.136 4.320 -0.002 0.000 0.218 542 A C 2.029 179.624 177.584 0.017 0.000 1.175 542 A CA 1.594 53.633 52.037 0.003 0.000 0.628 542 A CB -0.410 18.593 19.000 0.004 0.000 0.814 542 A HN 0.328 nan 8.150 nan 0.000 0.444 543 K N -0.353 120.057 120.400 0.015 0.000 2.057 543 K HA -0.146 4.173 4.320 -0.002 0.000 0.206 543 K C 1.503 178.126 176.600 0.037 0.000 1.050 543 K CA 1.404 57.705 56.287 0.022 0.000 0.935 543 K CB -0.200 32.310 32.500 0.016 0.000 0.715 543 K HN 0.421 nan 8.250 nan 0.000 0.439 544 N N 1.176 119.901 118.700 0.041 0.000 2.309 544 N HA -0.146 4.592 4.740 -0.002 0.000 0.182 544 N C 1.555 177.153 175.510 0.146 0.000 1.018 544 N CA 0.835 53.930 53.050 0.074 0.000 0.876 544 N CB 0.007 38.531 38.487 0.062 0.000 0.972 544 N HN 0.265 nan 8.380 nan 0.000 0.434 545 K N 1.159 121.642 120.400 0.139 0.000 2.097 545 K HA -0.084 4.235 4.320 -0.002 0.000 0.205 545 K C 1.888 178.572 176.600 0.139 0.000 1.050 545 K CA 0.823 57.259 56.287 0.248 0.000 0.938 545 K CB 0.079 32.662 32.500 0.138 0.000 0.718 545 K HN 0.166 nan 8.250 nan 0.000 0.442 546 Q N 0.334 120.181 119.800 0.078 0.000 2.224 546 Q HA -0.120 4.219 4.340 -0.002 0.000 0.203 546 Q C 1.678 177.700 176.000 0.037 0.000 0.970 546 Q CA 0.757 56.588 55.803 0.047 0.000 0.865 546 Q CB 0.149 28.907 28.738 0.033 0.000 0.922 546 Q HN 0.188 nan 8.270 nan 0.000 0.445 547 L N -0.032 121.219 121.223 0.046 0.000 2.599 547 L HA 0.211 4.549 4.340 -0.002 0.000 0.230 547 L C 0.405 177.285 176.870 0.015 0.000 1.141 547 L CA 1.162 56.020 54.840 0.030 0.000 0.877 547 L CB 0.005 42.086 42.059 0.036 0.000 1.009 547 L HN 0.295 nan 8.230 nan 0.000 0.447 548 G N 0.727 109.531 108.800 0.007 0.000 2.422 548 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.290 548 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.290 548 G C 0.104 174.937 174.900 -0.112 0.000 1.059 548 G CA 0.258 45.310 45.100 -0.080 0.000 1.242 548 G HN 0.820 nan 8.290 nan 0.000 0.520 549 H N 0.055 119.128 119.070 0.005 0.000 3.216 549 H HA 0.145 4.700 4.556 -0.002 0.000 0.283 549 H C 0.106 175.438 175.328 0.006 0.000 0.921 549 H CA 0.709 56.760 56.048 0.005 0.000 1.419 549 H CB 0.859 30.624 29.762 0.006 0.000 1.460 549 H HN 0.559 nan 8.280 nan 0.000 0.553 550 E N 4.122 124.361 120.200 0.065 0.000 2.259 550 E HA 0.065 4.413 4.350 -0.002 0.000 0.281 550 E C 0.074 176.731 176.600 0.096 0.000 1.037 550 E CA -0.421 56.005 56.400 0.044 0.000 0.854 550 E CB 1.245 30.964 29.700 0.032 0.000 1.051 550 E HN 0.661 nan 8.360 nan 0.000 0.409 551 E N 1.807 122.063 120.200 0.094 0.000 2.410 551 E HA -0.016 4.333 4.350 -0.002 0.000 0.255 551 E C -0.653 175.987 176.600 0.067 0.000 1.194 551 E CA -0.237 56.220 56.400 0.096 0.000 0.955 551 E CB 0.492 30.240 29.700 0.080 0.000 0.988 551 E HN 0.357 nan 8.360 nan 0.000 0.461 552 D N 0.233 120.666 120.400 0.055 0.000 2.488 552 D HA -0.098 4.540 4.640 -0.002 0.000 0.238 552 D C 0.215 176.546 176.300 0.052 0.000 1.138 552 D CA 0.608 54.640 54.000 0.053 0.000 0.873 552 D CB 0.303 41.121 40.800 0.030 0.000 1.183 552 D HN 0.384 nan 8.370 nan 0.000 0.458 553 Y N 2.584 122.831 120.300 -0.088 0.000 2.421 553 Y HA -0.104 4.444 4.550 -0.002 0.000 0.292 553 Y C 1.932 177.734 175.900 -0.163 0.000 1.136 553 Y CA 1.376 59.361 58.100 -0.190 0.000 1.255 553 Y CB 0.177 38.382 38.460 -0.426 0.000 0.991 553 Y HN 0.494 nan 8.280 nan 0.000 0.552 554 A N -0.204 122.603 122.820 -0.022 0.000 2.123 554 A HA 0.139 4.458 4.320 -0.002 0.000 0.214 554 A C 0.831 178.411 177.584 -0.006 0.000 1.152 554 A CA 0.035 52.066 52.037 -0.011 0.000 0.728 554 A CB -0.592 18.375 19.000 -0.054 0.000 0.814 554 A HN 0.304 nan 8.150 nan 0.000 0.464 555 L N -1.092 120.122 121.223 -0.014 0.000 2.395 555 L HA 0.484 4.822 4.340 -0.002 0.000 0.269 555 L C 1.548 178.409 176.870 -0.015 0.000 1.133 555 L CA 0.560 55.403 54.840 0.005 0.000 0.812 555 L CB 0.734 42.802 42.059 0.015 0.000 1.125 555 L HN 0.492 nan 8.230 nan 0.000 0.452 556 G N 1.457 110.260 108.800 0.005 0.000 2.179 556 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.260 556 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.260 556 G C 0.315 175.218 174.900 0.005 0.000 0.977 556 G CA 0.379 45.478 45.100 -0.003 0.000 0.641 556 G HN 0.607 nan 8.290 nan 0.000 0.533 557 K N -0.405 120.015 120.400 0.034 0.000 2.209 557 K HA 0.576 4.894 4.320 -0.002 0.000 0.252 557 K C -0.251 176.423 176.600 0.124 0.000 1.062 557 K CA -0.164 56.176 56.287 0.089 0.000 1.003 557 K CB 0.490 33.096 32.500 0.177 0.000 1.495 557 K HN 0.078 nan 8.250 nan 0.000 0.641 558 D N 0.139 120.669 120.400 0.216 0.000 2.892 558 D HA 0.050 4.688 4.640 -0.002 0.000 0.291 558 D C -0.329 176.061 176.300 0.151 0.000 1.341 558 D CA -0.444 53.658 54.000 0.169 0.000 0.844 558 D CB -0.625 40.267 40.800 0.154 0.000 1.093 558 D HN 0.311 nan 8.370 nan 0.000 0.480 559 C N 0.808 120.102 119.300 -0.011 0.000 2.634 559 C HA 0.227 4.686 4.460 -0.002 0.000 0.418 559 C C 1.960 176.881 174.990 -0.115 0.000 1.373 559 C CA -0.371 58.422 59.018 -0.374 0.000 1.756 559 C CB -1.019 26.482 27.740 -0.398 0.000 2.589 559 C HN 0.520 nan 8.230 nan 0.000 0.602 560 I N 4.628 125.135 120.570 -0.105 0.000 2.188 560 I HA 0.028 4.197 4.170 -0.002 0.000 0.237 560 I C 1.040 177.117 176.117 -0.066 0.000 1.073 560 I CA 1.219 62.493 61.300 -0.043 0.000 1.359 560 I CB -0.355 37.634 38.000 -0.018 0.000 1.083 560 I HN 0.813 nan 8.210 nan 0.000 0.412 561 M N -0.195 119.352 119.600 -0.089 0.000 2.773 561 M HA 0.500 4.978 4.480 -0.002 0.000 0.270 561 M C -1.594 174.683 176.300 -0.038 0.000 1.238 561 M CA -0.837 54.368 55.300 -0.159 0.000 0.832 561 M CB 2.687 35.062 32.600 -0.376 0.000 1.672 561 M HN 0.149 nan 8.290 nan 0.000 0.480 562 H N -1.327 117.699 119.070 -0.074 0.000 3.046 562 H HA 0.978 5.533 4.556 -0.002 0.000 0.363 562 H C -0.921 174.319 175.328 -0.147 0.000 1.203 562 H CA -0.290 55.735 56.048 -0.039 0.000 1.169 562 H CB 1.829 31.605 29.762 0.024 0.000 1.851 562 H HN 1.251 nan 8.280 nan 0.000 0.546 563 G N 0.259 108.849 108.800 -0.350 0.000 2.342 563 G HA2 0.279 4.237 3.960 -0.002 0.000 0.297 563 G HA3 0.279 4.237 3.960 -0.002 0.000 0.297 563 G C -1.944 172.567 174.900 -0.649 0.000 1.313 563 G CA -1.191 43.624 45.100 -0.476 0.000 0.830 563 G HN 0.461 nan 8.290 nan 0.000 0.506 564 Y N -0.393 119.791 120.300 -0.193 0.000 2.314 564 Y HA 0.758 5.306 4.550 -0.002 0.000 0.334 564 Y C 1.120 176.991 175.900 -0.048 0.000 1.266 564 Y CA 0.406 58.486 58.100 -0.033 0.000 1.391 564 Y CB 1.305 39.811 38.460 0.076 0.000 1.306 564 Y HN 0.573 nan 8.280 nan 0.000 0.558 565 M N -0.195 119.521 119.600 0.192 0.000 3.069 565 M HA 0.281 4.759 4.480 -0.002 0.000 0.274 565 M C -1.524 174.840 176.300 0.106 0.000 1.146 565 M CA -0.402 54.864 55.300 -0.058 0.000 0.807 565 M CB 2.246 34.481 32.600 -0.608 0.000 1.621 565 M HN 0.432 nan 8.290 nan 0.000 0.521 566 S N 0.999 116.686 115.700 -0.022 0.000 2.502 566 S HA 0.598 5.066 4.470 -0.002 0.000 0.304 566 S C -1.188 173.500 174.600 0.147 0.000 1.097 566 S CA -0.958 57.301 58.200 0.098 0.000 1.045 566 S CB 1.588 64.803 63.200 0.025 0.000 1.019 566 S HN 0.531 nan 8.310 nan 0.000 0.481 567 K N 2.473 122.924 120.400 0.085 0.000 2.168 567 K HA 0.801 5.119 4.320 -0.002 0.000 0.239 567 K C -0.540 175.962 176.600 -0.162 0.000 0.999 567 K CA -0.806 55.378 56.287 -0.172 0.000 0.900 567 K CB 1.437 33.781 32.500 -0.260 0.000 1.111 567 K HN 0.618 nan 8.250 nan 0.000 0.452 577 Q N 2.084 122.022 119.800 0.229 0.000 2.295 577 Q HA 0.380 4.718 4.340 -0.002 0.000 0.259 577 Q C -0.639 175.441 176.000 0.133 0.000 0.966 577 Q CA -1.107 54.776 55.803 0.134 0.000 0.763 577 Q CB 2.750 31.533 28.738 0.076 0.000 1.283 577 Q HN 0.338 nan 8.270 nan 0.000 0.445 578 R N 2.390 122.964 120.500 0.123 0.000 2.389 578 R HA 0.307 4.645 4.340 -0.002 0.000 0.295 578 R C -0.659 175.743 176.300 0.169 0.000 1.075 578 R CA 0.198 56.381 56.100 0.138 0.000 1.005 578 R CB 0.497 30.857 30.300 0.100 0.000 0.987 578 R HN 0.420 nan 8.270 nan 0.000 0.452 579 R N 3.295 123.912 120.500 0.195 0.000 2.707 579 R HA 0.140 4.479 4.340 -0.002 0.000 0.272 579 R C -1.634 174.718 176.300 0.086 0.000 1.011 579 R CA -0.962 55.200 56.100 0.104 0.000 0.893 579 R CB 1.220 31.452 30.300 -0.113 0.000 1.233 579 R HN 0.576 nan 8.270 nan 0.000 0.464 580 Y N 1.353 121.564 120.300 -0.148 0.000 2.341 580 Y HA 0.404 4.953 4.550 -0.002 0.000 0.340 580 Y C -0.666 175.045 175.900 -0.314 0.000 0.997 580 Y CA -0.203 57.705 58.100 -0.321 0.000 1.149 580 Y CB 0.548 38.711 38.460 -0.496 0.000 1.171 580 Y HN 0.419 nan 8.280 nan 0.000 0.494 581 F N 4.729 124.360 119.950 -0.531 0.000 2.403 581 F HA 0.463 4.988 4.527 -0.002 0.000 0.326 581 F C -1.071 174.528 175.800 -0.335 0.000 1.081 581 F CA -0.574 57.310 58.000 -0.194 0.000 1.041 581 F CB 1.039 39.905 39.000 -0.223 0.000 1.234 581 F HN 0.323 nan 8.300 nan 0.000 0.503 582 Y N 2.376 122.966 120.300 0.482 0.000 2.354 582 Y HA 0.431 4.980 4.550 -0.002 0.000 0.330 582 Y C -0.869 175.281 175.900 0.416 0.000 1.011 582 Y CA -1.102 57.244 58.100 0.410 0.000 1.099 582 Y CB 1.496 40.190 38.460 0.390 0.000 1.179 582 Y HN 0.310 nan 8.280 nan 0.000 0.442 583 L N 4.775 126.271 121.223 0.456 0.000 2.260 583 L HA 0.577 4.915 4.340 -0.002 0.000 0.289 583 L C -1.526 175.407 176.870 0.105 0.000 1.057 583 L CA -0.226 54.847 54.840 0.389 0.000 0.811 583 L CB -0.490 41.818 42.059 0.414 0.000 1.184 583 L HN 0.433 nan 8.230 nan 0.000 0.429 584 F N 5.747 125.870 119.950 0.287 0.000 2.509 584 F HA 0.535 5.060 4.527 -0.002 0.000 0.334 584 F C -1.222 174.676 175.800 0.164 0.000 1.060 584 F CA -1.486 56.635 58.000 0.201 0.000 0.997 584 F CB 0.524 39.626 39.000 0.171 0.000 1.271 584 F HN 0.419 nan 8.300 nan 0.000 0.488 585 P HA -0.127 nan 4.420 nan 0.000 0.220 585 P C 0.406 177.824 177.300 0.198 0.000 1.148 585 P CA 1.412 64.637 63.100 0.208 0.000 0.803 585 P CB 0.086 31.883 31.700 0.162 0.000 0.782 586 N N -1.095 117.734 118.700 0.215 0.000 2.171 586 N HA 0.035 4.774 4.740 -0.002 0.000 0.212 586 N C 0.252 175.867 175.510 0.175 0.000 1.184 586 N CA -0.141 53.007 53.050 0.163 0.000 0.888 586 N CB 0.390 38.941 38.487 0.107 0.000 1.038 586 N HN 0.168 nan 8.380 nan 0.000 0.517 587 R N -1.366 119.284 120.500 0.251 0.000 2.728 587 R HA 0.541 4.879 4.340 -0.002 0.000 0.274 587 R C -2.012 174.519 176.300 0.385 0.000 1.030 587 R CA -0.996 55.257 56.100 0.254 0.000 0.876 587 R CB 0.501 30.897 30.300 0.160 0.000 1.259 587 R HN -0.012 nan 8.270 nan 0.000 0.468 588 L N 1.394 122.848 121.223 0.386 0.000 2.492 588 L HA 0.423 4.762 4.340 -0.002 0.000 0.258 588 L C -0.721 176.485 176.870 0.560 0.000 1.028 588 L CA -0.071 55.085 54.840 0.526 0.000 0.900 588 L CB 1.481 43.851 42.059 0.519 0.000 1.191 588 L HN 0.716 nan 8.230 nan 0.000 0.459 589 E N 2.672 123.187 120.200 0.524 0.000 2.351 589 E HA 0.579 4.928 4.350 -0.002 0.000 0.255 589 E C -1.428 175.407 176.600 0.392 0.000 1.188 589 E CA -0.113 56.442 56.400 0.257 0.000 0.940 589 E CB 0.981 30.833 29.700 0.253 0.000 1.094 589 E HN 0.575 nan 8.360 nan 0.000 0.474 590 W N -0.726 120.564 121.300 -0.017 0.000 3.275 590 W HA 0.463 5.122 4.660 -0.002 0.000 0.306 590 W C -1.463 174.964 176.519 -0.153 0.000 1.259 590 W CA -1.004 56.176 57.345 -0.275 0.000 1.194 590 W CB 0.516 29.428 29.460 -0.912 0.000 1.375 590 W HN 0.530 nan 8.180 nan 0.000 0.564 591 R N 1.483 122.053 120.500 0.117 0.000 2.836 591 R HA 0.915 5.254 4.340 -0.002 0.000 0.269 591 R C -0.225 176.142 176.300 0.111 0.000 1.010 591 R CA -0.927 55.212 56.100 0.066 0.000 0.930 591 R CB 1.723 32.039 30.300 0.028 0.000 1.218 591 R HN 0.886 nan 8.270 nan 0.000 0.473 592 G N 0.211 109.062 108.800 0.086 0.000 2.488 592 G HA2 0.233 4.191 3.960 -0.002 0.000 0.318 592 G HA3 0.233 4.191 3.960 -0.002 0.000 0.318 592 G C -0.583 174.363 174.900 0.076 0.000 1.188 592 G CA -0.714 44.443 45.100 0.095 0.000 0.944 592 G HN 0.529 nan 8.290 nan 0.000 0.495 593 E N 0.512 120.765 120.200 0.090 0.000 1.881 593 E HA 0.316 4.664 4.350 -0.002 0.000 0.264 593 E C 0.906 177.533 176.600 0.045 0.000 1.243 593 E CA 0.812 57.257 56.400 0.075 0.000 0.965 593 E CB 0.512 30.269 29.700 0.095 0.000 1.055 593 E HN 0.792 nan 8.360 nan 0.000 0.412 594 G N 3.015 111.832 108.800 0.028 0.000 4.203 594 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.197 594 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.197 594 G C 0.106 175.009 174.900 0.005 0.000 1.112 594 G CA -0.148 44.962 45.100 0.018 0.000 0.856 594 G HN 0.414 nan 8.290 nan 0.000 0.317 595 E N 1.623 121.821 120.200 -0.003 0.000 2.316 595 E HA 0.810 5.158 4.350 -0.002 0.000 0.258 595 E C 0.147 176.717 176.600 -0.050 0.000 0.952 595 E CA -0.096 56.291 56.400 -0.021 0.000 0.818 595 E CB 1.224 30.911 29.700 -0.023 0.000 1.260 595 E HN 0.873 nan 8.360 nan 0.000 0.416 596 A N 0.833 123.605 122.820 -0.080 0.000 2.296 596 A HA 0.508 4.826 4.320 -0.002 0.000 0.264 596 A C -2.200 175.247 177.584 -0.228 0.000 1.097 596 A CA -1.340 50.586 52.037 -0.186 0.000 0.811 596 A CB -0.729 18.189 19.000 -0.135 0.000 1.072 596 A HN 0.529 nan 8.150 nan 0.000 0.495 597 P HA 0.091 nan 4.420 nan 0.000 0.262 597 P C -0.461 176.685 177.300 -0.257 0.000 1.199 597 P CA 0.608 63.520 63.100 -0.314 0.000 0.763 597 P CB 0.295 31.763 31.700 -0.387 0.000 0.790 598 Q N 0.484 120.137 119.800 -0.245 0.000 2.159 598 Q HA 0.242 4.580 4.340 -0.002 0.000 0.217 598 Q C -0.404 175.416 176.000 -0.299 0.000 0.818 598 Q CA 0.070 55.747 55.803 -0.210 0.000 1.008 598 Q CB 0.549 29.210 28.738 -0.128 0.000 1.148 598 Q HN 0.368 nan 8.270 nan 0.000 0.491 599 S N 1.028 116.405 115.700 -0.538 0.000 2.536 599 S HA 0.722 5.191 4.470 -0.002 0.000 0.271 599 S C -1.210 172.568 174.600 -1.370 0.000 1.134 599 S CA -0.804 56.895 58.200 -0.834 0.000 0.897 599 S CB 1.894 64.590 63.200 -0.841 0.000 1.094 599 S HN 0.308 nan 8.310 nan 0.000 0.473 600 L N -0.171 120.370 121.223 -1.137 0.000 2.933 600 L HA 0.951 5.289 4.340 -0.002 0.000 0.271 600 L C -2.296 174.387 176.870 -0.311 0.000 1.071 600 L CA -0.942 53.400 54.840 -0.831 0.000 0.938 600 L CB 1.238 43.094 42.059 -0.340 0.000 1.534 600 L HN 0.565 nan 8.230 nan 0.000 0.396 601 L N 0.827 122.073 121.223 0.038 0.000 2.476 601 L HA 0.740 5.079 4.340 -0.002 0.000 0.269 601 L C -0.140 176.805 176.870 0.125 0.000 0.965 601 L CA 0.350 55.256 54.840 0.109 0.000 0.845 601 L CB 2.130 44.309 42.059 0.199 0.000 1.259 601 L HN 1.041 nan 8.230 nan 0.000 0.403 602 T N 1.434 116.031 114.554 0.071 0.000 2.868 602 T HA 0.187 4.536 4.350 -0.002 0.000 0.292 602 T C 1.268 176.034 174.700 0.110 0.000 1.028 602 T CA -0.639 61.512 62.100 0.085 0.000 1.059 602 T CB 0.781 69.678 68.868 0.048 0.000 0.991 602 T HN 0.547 nan 8.240 nan 0.000 0.531 603 M N 0.933 120.614 119.600 0.135 0.000 2.200 603 M HA -0.022 4.456 4.480 -0.002 0.000 0.265 603 M C 2.420 178.799 176.300 0.133 0.000 1.066 603 M CA 1.460 56.861 55.300 0.168 0.000 1.127 603 M CB -1.166 31.555 32.600 0.202 0.000 1.379 603 M HN 0.961 nan 8.290 nan 0.000 0.420 604 E N 0.006 120.266 120.200 0.100 0.000 2.268 604 E HA -0.194 4.154 4.350 -0.002 0.000 0.195 604 E C 1.282 177.903 176.600 0.035 0.000 0.995 604 E CA 1.047 57.492 56.400 0.076 0.000 0.836 604 E CB -0.465 29.271 29.700 0.061 0.000 0.763 604 E HN 0.569 nan 8.360 nan 0.000 0.491 605 E N 0.681 120.896 120.200 0.025 0.000 2.347 605 E HA 0.016 4.365 4.350 -0.002 0.000 0.196 605 E C 0.364 176.940 176.600 -0.040 0.000 1.008 605 E CA 0.210 56.609 56.400 -0.002 0.000 0.852 605 E CB 0.037 29.739 29.700 0.004 0.000 0.783 605 E HN 0.362 nan 8.360 nan 0.000 0.505 606 I N 2.009 122.533 120.570 -0.077 0.000 2.379 606 I HA -0.044 4.125 4.170 -0.002 0.000 0.290 606 I C 1.330 177.226 176.117 -0.369 0.000 1.063 606 I CA 0.113 61.285 61.300 -0.214 0.000 1.351 606 I CB 0.948 38.779 38.000 -0.280 0.000 1.410 606 I HN 0.057 nan 8.210 nan 0.000 0.505 607 Q N 3.844 123.490 119.800 -0.256 0.000 2.089 607 Q HA 0.011 4.349 4.340 -0.002 0.000 0.195 607 Q C 0.306 176.140 176.000 -0.277 0.000 0.963 607 Q CA 0.865 56.544 55.803 -0.206 0.000 0.834 607 Q CB 0.304 28.990 28.738 -0.087 0.000 0.906 607 Q HN 0.829 nan 8.270 nan 0.000 0.452 608 S N -1.158 114.396 115.700 -0.244 0.000 2.542 608 S HA 0.432 4.900 4.470 -0.002 0.000 0.276 608 S C -0.998 173.567 174.600 -0.058 0.000 1.148 608 S CA -1.038 57.087 58.200 -0.125 0.000 0.886 608 S CB 1.717 64.915 63.200 -0.003 0.000 1.109 608 S HN -0.060 nan 8.310 nan 0.000 0.458 609 V N 3.032 122.978 119.914 0.053 0.000 2.350 609 V HA 0.604 4.723 4.120 -0.002 0.000 0.276 609 V C -0.058 176.083 176.094 0.078 0.000 1.028 609 V CA -0.317 62.032 62.300 0.081 0.000 0.860 609 V CB 0.903 32.820 31.823 0.155 0.000 0.990 609 V HN 0.888 nan 8.190 nan 0.000 0.453 610 E N 3.323 123.552 120.200 0.047 0.000 2.370 610 E HA 0.569 4.918 4.350 -0.002 0.000 0.259 610 E C -0.856 175.762 176.600 0.030 0.000 0.947 610 E CA -0.719 55.705 56.400 0.040 0.000 0.809 610 E CB 2.529 32.246 29.700 0.028 0.000 1.300 610 E HN 0.789 nan 8.360 nan 0.000 0.419 611 E N 0.310 120.525 120.200 0.026 0.000 2.234 611 E HA 0.524 4.873 4.350 -0.002 0.000 0.266 611 E C -0.709 175.899 176.600 0.014 0.000 0.877 611 E CA -0.741 55.670 56.400 0.018 0.000 0.758 611 E CB 1.837 31.551 29.700 0.023 0.000 1.170 611 E HN 0.511 nan 8.360 nan 0.000 0.415 612 T N -0.291 114.269 114.554 0.009 0.000 2.787 612 T HA 0.404 4.752 4.350 -0.002 0.000 0.297 612 T C -0.436 174.270 174.700 0.010 0.000 1.221 612 T CA -1.044 61.062 62.100 0.009 0.000 1.006 612 T CB 1.727 70.600 68.868 0.009 0.000 1.328 612 T HN 0.289 nan 8.240 nan 0.000 0.509 613 Q N 0.444 120.250 119.800 0.011 0.000 2.256 613 Q HA 0.585 4.924 4.340 -0.002 0.000 0.257 613 Q C -0.827 175.189 176.000 0.027 0.000 0.936 613 Q CA -0.452 55.357 55.803 0.011 0.000 0.903 613 Q CB 2.068 30.808 28.738 0.004 0.000 1.263 613 Q HN 0.653 nan 8.270 nan 0.000 0.440 614 I N 2.563 123.158 120.570 0.042 0.000 2.493 614 I HA 0.152 4.321 4.170 -0.002 0.000 0.279 614 I C -0.082 176.073 176.117 0.063 0.000 1.045 614 I CA -0.451 60.899 61.300 0.084 0.000 1.106 614 I CB 0.962 39.085 38.000 0.205 0.000 1.216 614 I HN 0.514 nan 8.210 nan 0.000 0.459 615 K N 5.508 125.933 120.400 0.041 0.000 3.278 615 K HA -0.210 4.109 4.320 -0.002 0.000 0.270 615 K C -0.074 176.520 176.600 -0.011 0.000 0.955 615 K CA 0.807 57.105 56.287 0.019 0.000 0.723 615 K CB -0.906 31.615 32.500 0.034 0.000 1.382 615 K HN 0.823 nan 8.250 nan 0.000 0.461 616 E N -2.499 117.692 120.200 -0.015 0.000 2.868 616 E HA -0.271 4.077 4.350 -0.002 0.000 0.278 616 E C -0.081 176.483 176.600 -0.060 0.000 1.009 616 E CA 1.107 57.487 56.400 -0.034 0.000 0.856 616 E CB -0.689 28.987 29.700 -0.040 0.000 1.428 616 E HN 0.466 nan 8.360 nan 0.000 0.423 617 R N 1.671 122.135 120.500 -0.060 0.000 2.561 617 R HA 0.355 4.694 4.340 -0.002 0.000 0.297 617 R C -1.024 175.233 176.300 -0.073 0.000 0.969 617 R CA -0.802 55.240 56.100 -0.097 0.000 0.879 617 R CB 1.224 31.439 30.300 -0.143 0.000 1.178 617 R HN 0.015 nan 8.270 nan 0.000 0.445 618 K N 3.000 123.355 120.400 -0.075 0.000 2.350 618 K HA 0.352 4.670 4.320 -0.002 0.000 0.279 618 K C -1.013 175.554 176.600 -0.055 0.000 1.027 618 K CA -0.094 56.166 56.287 -0.046 0.000 0.969 618 K CB 0.426 32.907 32.500 -0.032 0.000 0.954 618 K HN 0.664 nan 8.250 nan 0.000 0.474 619 C N 2.964 122.246 119.300 -0.030 0.000 3.285 619 C HA 0.499 4.957 4.460 -0.002 0.000 0.320 619 C C -0.925 174.050 174.990 -0.025 0.000 1.411 619 C CA -1.016 57.981 59.018 -0.035 0.000 1.429 619 C CB 1.237 28.987 27.740 0.016 0.000 1.812 619 C HN 0.725 nan 8.230 nan 0.000 0.454 620 L N 1.885 123.077 121.223 -0.051 0.000 2.307 620 L HA 0.583 4.922 4.340 -0.002 0.000 0.282 620 L C -0.757 176.085 176.870 -0.046 0.000 1.051 620 L CA -0.466 54.348 54.840 -0.042 0.000 0.804 620 L CB 1.251 43.272 42.059 -0.063 0.000 1.197 620 L HN 0.399 nan 8.230 nan 0.000 0.431 621 L N 4.944 126.157 121.223 -0.016 0.000 2.408 621 L HA 0.419 4.758 4.340 -0.002 0.000 0.257 621 L C -0.568 176.308 176.870 0.010 0.000 1.053 621 L CA -0.016 54.818 54.840 -0.010 0.000 0.922 621 L CB 0.743 42.801 42.059 -0.001 0.000 1.261 621 L HN 0.405 nan 8.230 nan 0.000 0.458 622 L N 4.080 125.318 121.223 0.026 0.000 2.416 622 L HA 0.297 4.635 4.340 -0.002 0.000 0.272 622 L C 0.298 177.194 176.870 0.044 0.000 1.161 622 L CA -0.021 54.849 54.840 0.050 0.000 0.845 622 L CB 0.345 42.478 42.059 0.123 0.000 1.119 622 L HN 0.469 nan 8.230 nan 0.000 0.464 623 K N 5.251 125.652 120.400 0.001 0.000 2.293 623 K HA 0.521 4.840 4.320 -0.002 0.000 0.267 623 K C -0.680 175.906 176.600 -0.022 0.000 1.010 623 K CA -0.436 55.847 56.287 -0.006 0.000 0.875 623 K CB 1.668 34.157 32.500 -0.018 0.000 1.106 623 K HN 0.451 nan 8.250 nan 0.000 0.450 624 I N 2.185 122.754 120.570 -0.002 0.000 2.532 624 I HA 0.166 4.335 4.170 -0.002 0.000 0.292 624 I C 1.923 178.029 176.117 -0.017 0.000 1.014 624 I CA -0.473 60.819 61.300 -0.012 0.000 1.340 624 I CB 1.076 39.073 38.000 -0.005 0.000 1.422 624 I HN 0.636 nan 8.210 nan 0.000 0.528 625 R N 3.490 123.977 120.500 -0.021 0.000 2.139 625 R HA -0.137 4.201 4.340 -0.002 0.000 0.243 625 R C 1.600 177.895 176.300 -0.009 0.000 1.145 625 R CA 1.585 57.676 56.100 -0.015 0.000 0.976 625 R CB -0.277 30.016 30.300 -0.011 0.000 0.866 625 R HN 0.946 nan 8.270 nan 0.000 0.449 626 G N -1.140 107.656 108.800 -0.008 0.000 3.332 626 G HA2 0.181 4.139 3.960 -0.002 0.000 0.242 626 G HA3 0.181 4.139 3.960 -0.002 0.000 0.242 626 G C 0.732 175.629 174.900 -0.004 0.000 1.276 626 G CA 0.318 45.415 45.100 -0.006 0.000 0.988 626 G HN 0.534 nan 8.290 nan 0.000 0.517 627 G N -0.380 108.419 108.800 -0.003 0.000 2.168 627 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.263 627 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.263 627 G C 0.523 175.425 174.900 0.002 0.000 0.977 627 G CA 0.672 45.772 45.100 -0.001 0.000 0.659 627 G HN 0.634 nan 8.290 nan 0.000 0.533 628 K N -0.183 120.220 120.400 0.005 0.000 2.106 628 K HA 0.649 4.968 4.320 -0.002 0.000 0.246 628 K C 0.261 176.878 176.600 0.029 0.000 0.987 628 K CA -0.433 55.863 56.287 0.014 0.000 0.904 628 K CB 0.913 33.421 32.500 0.013 0.000 1.071 628 K HN 0.306 nan 8.250 nan 0.000 0.453 629 Q N 1.046 120.876 119.800 0.049 0.000 2.347 629 Q HA 0.369 4.708 4.340 -0.002 0.000 0.271 629 Q C -1.602 174.492 176.000 0.156 0.000 1.064 629 Q CA -0.591 55.256 55.803 0.072 0.000 0.800 629 Q CB 2.224 30.981 28.738 0.031 0.000 1.304 629 Q HN 0.466 nan 8.270 nan 0.000 0.438 630 F N 2.908 122.830 119.950 -0.046 0.000 2.467 630 F HA 0.570 5.096 4.527 -0.002 0.000 0.336 630 F C -0.933 174.819 175.800 -0.080 0.000 1.123 630 F CA -0.931 57.029 58.000 -0.067 0.000 0.964 630 F CB 0.942 39.913 39.000 -0.048 0.000 1.136 630 F HN 0.405 nan 8.300 nan 0.000 0.447 631 I N 7.135 127.466 120.570 -0.399 0.000 2.378 631 I HA 0.338 4.506 4.170 -0.002 0.000 0.291 631 I C -0.991 174.878 176.117 -0.413 0.000 0.992 631 I CA -0.658 60.456 61.300 -0.310 0.000 1.154 631 I CB 1.755 39.633 38.000 -0.204 0.000 1.315 631 I HN 0.431 nan 8.210 nan 0.000 0.448 632 L N 6.369 127.411 121.223 -0.302 0.000 2.322 632 L HA 0.496 4.835 4.340 -0.002 0.000 0.281 632 L C -0.329 176.439 176.870 -0.171 0.000 1.014 632 L CA -0.498 54.146 54.840 -0.326 0.000 0.815 632 L CB 1.985 43.722 42.059 -0.536 0.000 1.247 632 L HN 0.597 nan 8.230 nan 0.000 0.421 633 Q N 1.461 121.152 119.800 -0.182 0.000 2.248 633 Q HA 0.586 4.925 4.340 -0.002 0.000 0.263 633 Q C -1.499 174.321 176.000 -0.299 0.000 1.007 633 Q CA -0.484 55.128 55.803 -0.319 0.000 0.877 633 Q CB 2.351 30.659 28.738 -0.717 0.000 1.315 633 Q HN 0.697 nan 8.270 nan 0.000 0.454 634 C N 1.208 120.363 119.300 -0.241 0.000 2.802 634 C HA 0.341 4.799 4.460 -0.002 0.000 0.307 634 C C 0.355 175.261 174.990 -0.140 0.000 1.222 634 C CA -0.656 58.264 59.018 -0.163 0.000 1.580 634 C CB 1.628 29.321 27.740 -0.078 0.000 2.119 634 C HN 0.942 nan 8.230 nan 0.000 0.479 635 D N 0.822 121.166 120.400 -0.093 0.000 2.355 635 D HA 0.023 4.662 4.640 -0.002 0.000 0.218 635 D C 0.494 176.749 176.300 -0.075 0.000 1.004 635 D CA 0.868 54.811 54.000 -0.095 0.000 0.880 635 D CB 0.310 41.063 40.800 -0.079 0.000 0.911 635 D HN 0.732 nan 8.370 nan 0.000 0.528 636 S N -0.780 114.887 115.700 -0.055 0.000 2.578 636 S HA 0.155 4.623 4.470 -0.002 0.000 0.272 636 S C 0.042 174.622 174.600 -0.034 0.000 1.145 636 S CA -0.861 57.308 58.200 -0.051 0.000 0.835 636 S CB 2.181 65.323 63.200 -0.098 0.000 1.104 636 S HN -0.314 nan 8.310 nan 0.000 0.458 637 D N 1.217 121.602 120.400 -0.025 0.000 2.117 637 D HA 0.057 4.695 4.640 -0.002 0.000 0.198 637 D C -0.967 175.317 176.300 -0.026 0.000 0.982 637 D CA 1.199 55.199 54.000 -0.001 0.000 0.828 637 D CB -1.567 39.251 40.800 0.030 0.000 0.967 637 D HN 0.401 nan 8.370 nan 0.000 0.464 638 P HA -0.125 nan 4.420 nan 0.000 0.216 638 P C 1.249 178.513 177.300 -0.060 0.000 1.150 638 P CA 1.228 64.144 63.100 -0.307 0.000 0.843 638 P CB 0.015 31.286 31.700 -0.715 0.000 0.787 639 E N -0.952 119.226 120.200 -0.037 0.000 2.072 639 E HA -0.160 4.189 4.350 -0.002 0.000 0.191 639 E C 1.953 178.672 176.600 0.198 0.000 0.985 639 E CA 0.684 57.136 56.400 0.087 0.000 0.801 639 E CB -0.683 29.097 29.700 0.134 0.000 0.750 639 E HN 0.123 nan 8.360 nan 0.000 0.452 640 L N 0.638 121.935 121.223 0.123 0.000 2.046 640 L HA -0.184 4.154 4.340 -0.002 0.000 0.208 640 L C 2.229 179.178 176.870 0.131 0.000 1.077 640 L CA 1.245 56.154 54.840 0.115 0.000 0.747 640 L CB -0.123 41.967 42.059 0.051 0.000 0.896 640 L HN -0.035 nan 8.230 nan 0.000 0.432 641 V N -0.994 118.998 119.914 0.130 0.000 2.358 641 V HA -0.277 3.842 4.120 -0.002 0.000 0.246 641 V C 2.458 178.613 176.094 0.101 0.000 1.047 641 V CA 1.836 64.211 62.300 0.126 0.000 1.035 641 V CB -0.562 31.371 31.823 0.183 0.000 0.658 641 V HN 0.496 nan 8.190 nan 0.000 0.452 642 Q N -1.189 118.670 119.800 0.097 0.000 2.137 642 Q HA -0.106 4.233 4.340 -0.002 0.000 0.198 642 Q C 1.892 177.850 176.000 -0.071 0.000 0.960 642 Q CA 1.672 57.465 55.803 -0.017 0.000 0.847 642 Q CB -0.288 28.405 28.738 -0.074 0.000 0.915 642 Q HN 0.694 nan 8.270 nan 0.000 0.448 643 W N 0.983 122.277 121.300 -0.010 0.000 2.354 643 W HA -0.134 4.524 4.660 -0.002 0.000 0.315 643 W C 2.300 178.815 176.519 -0.007 0.000 1.206 643 W CA 1.528 58.852 57.345 -0.034 0.000 1.290 643 W CB -0.246 29.160 29.460 -0.091 0.000 1.152 643 W HN 0.111 nan 8.180 nan 0.000 0.489 644 K N 1.309 121.852 120.400 0.239 0.000 2.052 644 K HA -0.356 3.963 4.320 -0.002 0.000 0.215 644 K C 2.059 178.733 176.600 0.125 0.000 1.053 644 K CA 2.464 58.844 56.287 0.155 0.000 0.934 644 K CB -0.489 32.075 32.500 0.108 0.000 0.717 644 K HN 0.088 nan 8.250 nan 0.000 0.450 645 K N 0.336 120.783 120.400 0.077 0.000 1.985 645 K HA -0.159 4.160 4.320 -0.002 0.000 0.210 645 K C 1.843 178.464 176.600 0.034 0.000 1.047 645 K CA 1.812 58.120 56.287 0.035 0.000 0.932 645 K CB -0.054 32.442 32.500 -0.008 0.000 0.716 645 K HN 0.138 nan 8.250 nan 0.000 0.439 646 E N 0.709 120.919 120.200 0.017 0.000 2.338 646 E HA -0.117 4.232 4.350 -0.002 0.000 0.197 646 E C 2.025 178.678 176.600 0.088 0.000 1.007 646 E CA 0.700 57.100 56.400 0.000 0.000 0.849 646 E CB 0.055 29.690 29.700 -0.108 0.000 0.774 646 E HN 0.438 nan 8.360 nan 0.000 0.506 647 L N -0.189 121.138 121.223 0.174 0.000 2.102 647 L HA -0.013 4.326 4.340 -0.002 0.000 0.202 647 L C 2.584 179.600 176.870 0.243 0.000 1.076 647 L CA 0.620 55.612 54.840 0.253 0.000 0.761 647 L CB -0.314 41.926 42.059 0.302 0.000 0.921 647 L HN -0.038 nan 8.230 nan 0.000 0.444 648 R N 0.263 120.873 120.500 0.182 0.000 2.117 648 R HA -0.187 4.151 4.340 -0.002 0.000 0.243 648 R C 1.739 177.913 176.300 -0.209 0.000 1.143 648 R CA 1.684 57.806 56.100 0.037 0.000 0.968 648 R CB -0.310 30.025 30.300 0.058 0.000 0.863 648 R HN 0.364 nan 8.270 nan 0.000 0.444 649 D N -0.210 120.140 120.400 -0.083 0.000 2.194 649 D HA -0.016 4.622 4.640 -0.002 0.000 0.204 649 D C 1.685 177.941 176.300 -0.074 0.000 0.964 649 D CA 1.113 55.055 54.000 -0.097 0.000 0.846 649 D CB -0.093 40.680 40.800 -0.045 0.000 0.962 649 D HN 0.222 nan 8.370 nan 0.000 0.490 650 A N 0.700 123.525 122.820 0.009 0.000 1.855 650 A HA -0.186 4.132 4.320 -0.002 0.000 0.215 650 A C 2.174 179.819 177.584 0.103 0.000 1.191 650 A CA 1.546 53.633 52.037 0.083 0.000 0.613 650 A CB -1.187 17.913 19.000 0.166 0.000 0.829 650 A HN 0.432 nan 8.150 nan 0.000 0.442 651 Y N -0.401 119.953 120.300 0.090 0.000 2.314 651 Y HA 0.046 4.595 4.550 -0.002 0.000 0.293 651 Y C 2.137 178.074 175.900 0.063 0.000 1.129 651 Y CA 1.235 59.384 58.100 0.082 0.000 1.201 651 Y CB -0.499 38.012 38.460 0.085 0.000 0.999 651 Y HN 0.144 nan 8.280 nan 0.000 0.541 652 R N 0.226 120.398 120.500 -0.546 0.000 2.092 652 R HA -0.121 4.218 4.340 -0.002 0.000 0.231 652 R C 2.106 178.339 176.300 -0.111 0.000 1.119 652 R CA 1.545 57.423 56.100 -0.369 0.000 0.970 652 R CB -0.189 29.838 30.300 -0.455 0.000 0.864 652 R HN 0.357 nan 8.270 nan 0.000 0.440 653 E N 0.541 120.696 120.200 -0.075 0.000 2.047 653 E HA -0.111 4.237 4.350 -0.002 0.000 0.191 653 E C 1.870 178.486 176.600 0.027 0.000 0.987 653 E CA 1.409 57.801 56.400 -0.013 0.000 0.799 653 E CB -0.099 29.601 29.700 0.000 0.000 0.752 653 E HN 0.331 nan 8.360 nan 0.000 0.449 654 A N 0.426 123.281 122.820 0.059 0.000 1.883 654 A HA -0.287 4.032 4.320 -0.002 0.000 0.217 654 A C 2.101 179.736 177.584 0.086 0.000 1.186 654 A CA 1.924 54.014 52.037 0.089 0.000 0.624 654 A CB -0.641 18.439 19.000 0.133 0.000 0.822 654 A HN 0.306 nan 8.150 nan 0.000 0.444 655 Q N -1.355 118.507 119.800 0.104 0.000 2.230 655 Q HA -0.182 4.157 4.340 -0.002 0.000 0.202 655 Q C 2.228 178.267 176.000 0.065 0.000 0.963 655 Q CA 1.408 57.273 55.803 0.102 0.000 0.866 655 Q CB -0.062 28.769 28.738 0.155 0.000 0.931 655 Q HN 0.873 nan 8.270 nan 0.000 0.452 656 Q N 0.560 120.388 119.800 0.046 0.000 2.137 656 Q HA -0.087 4.251 4.340 -0.002 0.000 0.198 656 Q C 1.909 177.927 176.000 0.031 0.000 0.960 656 Q CA 0.636 56.458 55.803 0.032 0.000 0.847 656 Q CB 0.099 28.848 28.738 0.018 0.000 0.915 656 Q HN 0.349 nan 8.270 nan 0.000 0.448 657 L N -0.188 121.055 121.223 0.034 0.000 2.083 657 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 657 L C 2.263 179.152 176.870 0.032 0.000 1.083 657 L CA 0.806 55.665 54.840 0.032 0.000 0.752 657 L CB -0.206 41.874 42.059 0.036 0.000 0.899 657 L HN 0.168 nan 8.230 nan 0.000 0.433 658 V N -0.750 119.187 119.914 0.038 0.000 2.358 658 V HA -0.325 3.793 4.120 -0.002 0.000 0.246 658 V C 2.393 178.505 176.094 0.029 0.000 1.047 658 V CA 1.789 64.111 62.300 0.035 0.000 1.035 658 V CB -0.604 31.245 31.823 0.042 0.000 0.658 658 V HN 0.552 nan 8.190 nan 0.000 0.452 659 Q N 0.502 120.321 119.800 0.031 0.000 2.142 659 Q HA -0.367 3.972 4.340 -0.002 0.000 0.213 659 Q C 2.442 178.455 176.000 0.021 0.000 1.004 659 Q CA 2.826 58.645 55.803 0.026 0.000 0.883 659 Q CB -0.248 28.506 28.738 0.027 0.000 0.939 659 Q HN 0.628 nan 8.270 nan 0.000 0.413 660 R N -0.147 120.365 120.500 0.020 0.000 2.073 660 R HA -0.061 4.277 4.340 -0.002 0.000 0.234 660 R C 0.313 176.622 176.300 0.015 0.000 1.134 660 R CA 1.150 57.259 56.100 0.016 0.000 0.952 660 R CB -0.079 30.230 30.300 0.015 0.000 0.850 660 R HN 0.137 nan 8.270 nan 0.000 0.433 661 V N 3.369 123.292 119.914 0.016 0.000 2.446 661 V HA 0.075 4.194 4.120 -0.002 0.000 0.276 661 V C -1.699 174.403 176.094 0.013 0.000 1.030 661 V CA -0.925 61.383 62.300 0.014 0.000 1.033 661 V CB 1.247 33.079 31.823 0.015 0.000 0.993 661 V HN 0.329 nan 8.190 nan 0.000 0.477 662 P HA -0.065 nan 4.420 nan 0.000 0.221 662 P C 1.456 178.761 177.300 0.008 0.000 1.150 662 P CA 0.751 63.856 63.100 0.009 0.000 0.800 662 P CB 0.297 32.001 31.700 0.007 0.000 0.787 663 K N -1.070 119.335 120.400 0.007 0.000 2.365 663 K HA 0.090 4.408 4.320 -0.002 0.000 0.199 663 K C 1.600 178.204 176.600 0.007 0.000 1.045 663 K CA 0.883 57.174 56.287 0.005 0.000 0.962 663 K CB -0.136 32.366 32.500 0.004 0.000 0.759 663 K HN 0.105 nan 8.250 nan 0.000 0.469 664 M N 0.300 119.906 119.600 0.010 0.000 2.304 664 M HA 0.070 4.548 4.480 -0.002 0.000 0.281 664 M C 0.061 176.370 176.300 0.015 0.000 1.014 664 M CA -0.185 55.122 55.300 0.013 0.000 1.054 664 M CB 0.819 33.429 32.600 0.016 0.000 1.551 664 M HN -0.075 nan 8.290 nan 0.000 0.548 665 K N 0.862 121.271 120.400 0.015 0.000 2.098 665 K HA 0.274 4.593 4.320 -0.002 0.000 0.244 665 K C -0.592 176.016 176.600 0.014 0.000 1.014 665 K CA -0.483 55.814 56.287 0.018 0.000 0.917 665 K CB 0.671 33.181 32.500 0.018 0.000 1.072 665 K HN 0.037 nan 8.250 nan 0.000 0.477 666 N N 1.675 120.384 118.700 0.015 0.000 2.439 666 N HA 0.096 4.835 4.740 -0.002 0.000 0.249 666 N C -0.965 174.552 175.510 0.011 0.000 1.003 666 N CA -0.403 52.654 53.050 0.012 0.000 0.942 666 N CB 1.083 39.578 38.487 0.014 0.000 1.115 666 N HN 0.369 nan 8.380 nan 0.000 0.505 667 K N 1.998 122.403 120.400 0.009 0.000 2.090 667 K HA 0.443 4.762 4.320 -0.002 0.000 0.249 667 K C -2.234 174.370 176.600 0.006 0.000 0.995 667 K CA -1.517 54.775 56.287 0.008 0.000 0.914 667 K CB 0.392 32.896 32.500 0.006 0.000 1.057 667 K HN 0.252 nan 8.250 nan 0.000 0.462 668 P HA 0.083 nan 4.420 nan 0.000 0.267 668 P C -0.225 177.078 177.300 0.004 0.000 1.200 668 P CA 0.034 63.138 63.100 0.005 0.000 0.772 668 P CB 0.737 32.440 31.700 0.005 0.000 0.855 669 R N -0.127 120.375 120.500 0.003 0.000 3.275 669 R HA 0.147 4.486 4.340 -0.002 0.000 0.154 669 R C 0.680 176.981 176.300 0.002 0.000 0.843 669 R CA -0.165 55.936 56.100 0.002 0.000 1.027 669 R CB -0.459 29.842 30.300 0.002 0.000 1.423 669 R HN 0.424 nan 8.270 nan 0.000 0.530 670 S N 2.590 118.292 115.700 0.002 0.000 2.562 670 S HA 0.210 4.678 4.470 -0.002 0.000 0.281 670 S C -1.624 172.977 174.600 0.002 0.000 1.333 670 S CA -1.307 56.894 58.200 0.002 0.000 1.052 670 S CB 0.533 63.734 63.200 0.002 0.000 0.884 670 S HN 0.075 nan 8.310 nan 0.000 0.506 671 P HA 0.000 nan 4.420 nan 0.000 0.216 671 P CA 0.000 63.101 63.100 0.002 0.000 0.800 671 P CB 0.000 31.701 31.700 0.002 0.000 0.726