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 2jj1_1_K DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.799 174.700 0.165 0.000 1.109 9 T CA 0.000 62.171 62.100 0.118 0.000 1.349 9 T CB 0.000 68.954 68.868 0.144 0.000 0.612 10 T N 2.232 116.841 114.554 0.092 0.000 2.823 10 T HA 0.800 5.150 4.350 0.000 0.000 0.279 10 T C 0.612 175.146 174.700 -0.276 0.000 0.998 10 T CA -0.441 61.640 62.100 -0.032 0.000 0.994 10 T CB 1.603 70.440 68.868 -0.052 0.000 0.960 10 T HN 1.105 nan 8.240 nan 0.000 0.448 11 G N 1.648 110.043 108.800 -0.675 0.000 2.644 11 G HA2 0.754 4.714 3.960 0.000 0.000 0.307 11 G HA3 0.754 4.714 3.960 0.000 0.000 0.307 11 G C -1.201 173.347 174.900 -0.586 0.000 1.250 11 G CA -0.974 43.380 45.100 -1.244 0.000 0.996 11 G HN 0.571 nan 8.290 nan 0.000 0.489 12 R N -0.444 119.777 120.500 -0.464 0.000 2.532 12 R HA 0.347 4.687 4.340 0.000 0.000 0.297 12 R C -0.395 175.811 176.300 -0.157 0.000 0.984 12 R CA -0.685 55.276 56.100 -0.232 0.000 0.884 12 R CB 2.368 32.570 30.300 -0.164 0.000 1.182 12 R HN 0.417 nan 8.270 nan 0.000 0.442 13 I N 3.818 124.328 120.570 -0.100 0.000 2.742 13 I HA -0.129 4.041 4.170 0.000 0.000 0.287 13 I C 1.421 177.514 176.117 -0.039 0.000 1.186 13 I CA 0.365 61.635 61.300 -0.050 0.000 1.417 13 I CB 0.721 38.702 38.000 -0.031 0.000 1.377 13 I HN 0.573 nan 8.210 nan 0.000 0.556 14 V N 3.361 123.261 119.914 -0.022 0.000 3.570 14 V HA 0.555 4.675 4.120 0.000 0.000 0.257 14 V C 0.607 176.698 176.094 -0.006 0.000 1.272 14 V CA 0.423 62.714 62.300 -0.015 0.000 1.079 14 V CB 0.040 31.856 31.823 -0.011 0.000 0.829 14 V HN 0.707 nan 8.190 nan 0.000 0.454 15 A N -0.258 122.562 122.820 0.000 0.000 2.547 15 A HA 0.815 5.135 4.320 0.000 0.000 0.297 15 A C -1.296 176.291 177.584 0.005 0.000 1.056 15 A CA -0.408 51.631 52.037 0.003 0.000 0.688 15 A CB 2.313 21.317 19.000 0.007 0.000 1.282 15 A HN 0.472 nan 8.150 nan 0.000 0.400 16 V N 3.009 122.924 119.914 0.003 0.000 2.488 16 V HA 0.445 4.565 4.120 0.000 0.000 0.293 16 V C -0.933 175.163 176.094 0.003 0.000 1.027 16 V CA -0.006 62.297 62.300 0.004 0.000 0.862 16 V CB 1.215 33.039 31.823 0.002 0.000 1.008 16 V HN 0.717 nan 8.190 nan 0.000 0.428 17 I N 4.386 124.958 120.570 0.004 0.000 2.439 17 I HA 0.642 4.812 4.170 0.000 0.000 0.283 17 I C 1.153 177.270 176.117 0.001 0.000 1.023 17 I CA -0.003 61.298 61.300 0.002 0.000 1.100 17 I CB 1.546 39.547 38.000 0.001 0.000 1.238 17 I HN 0.790 nan 8.210 nan 0.000 0.445 18 G N 4.869 113.669 108.800 0.000 0.000 2.685 18 G HA2 -0.405 3.555 3.960 0.000 0.000 0.329 18 G HA3 -0.405 3.555 3.960 0.000 0.000 0.329 18 G C 1.001 175.901 174.900 0.000 0.000 1.271 18 G CA 0.771 45.871 45.100 -0.001 0.000 1.003 18 G HN 0.831 nan 8.290 nan 0.000 0.549 19 A N -0.889 121.930 122.820 -0.002 0.000 2.123 19 A HA 0.539 4.859 4.320 0.000 0.000 0.214 19 A C 1.211 178.797 177.584 0.002 0.000 1.152 19 A CA 1.698 53.735 52.037 -0.001 0.000 0.728 19 A CB -0.010 18.986 19.000 -0.007 0.000 0.814 19 A HN 1.313 nan 8.150 nan 0.000 0.464 20 V N 1.078 120.994 119.914 0.002 0.000 2.432 20 V HA 0.376 4.496 4.120 0.000 0.000 0.275 20 V C -0.482 175.619 176.094 0.012 0.000 1.043 20 V CA -0.272 62.033 62.300 0.007 0.000 0.925 20 V CB 1.262 33.087 31.823 0.004 0.000 0.985 20 V HN 0.101 nan 8.190 nan 0.000 0.466 21 V N 4.093 124.019 119.914 0.020 0.000 2.531 21 V HA 0.444 4.564 4.120 0.000 0.000 0.301 21 V C -0.788 175.328 176.094 0.037 0.000 1.034 21 V CA -0.870 61.445 62.300 0.025 0.000 0.865 21 V CB 2.090 33.929 31.823 0.026 0.000 0.995 21 V HN 0.801 nan 8.190 nan 0.000 0.424 22 D N 3.453 123.872 120.400 0.033 0.000 2.225 22 D HA 0.553 5.193 4.640 0.000 0.000 0.248 22 D C -0.445 175.884 176.300 0.048 0.000 1.096 22 D CA -0.014 54.013 54.000 0.044 0.000 0.863 22 D CB 2.200 43.019 40.800 0.032 0.000 1.156 22 D HN 0.251 nan 8.370 nan 0.000 0.450 23 V N 2.224 122.192 119.914 0.090 0.000 2.604 23 V HA 0.332 4.452 4.120 0.000 0.000 0.305 23 V C -0.155 176.021 176.094 0.137 0.000 1.043 23 V CA -0.883 61.471 62.300 0.090 0.000 0.888 23 V CB 2.087 34.019 31.823 0.181 0.000 0.995 23 V HN 0.404 nan 8.190 nan 0.000 0.429 24 Q N 2.699 122.499 119.800 0.000 0.000 2.316 24 Q HA 0.636 4.976 4.340 0.000 0.000 0.264 24 Q C -2.035 173.910 176.000 -0.092 0.000 0.987 24 Q CA -0.481 55.343 55.803 0.034 0.000 0.852 24 Q CB 1.522 30.252 28.738 -0.014 0.000 1.287 24 Q HN 0.623 nan 8.270 nan 0.000 0.448 25 F N 2.584 122.508 119.950 -0.043 0.000 2.477 25 F HA 0.259 4.786 4.527 0.000 0.000 0.335 25 F C 0.582 176.357 175.800 -0.041 0.000 1.130 25 F CA -0.754 57.222 58.000 -0.040 0.000 0.948 25 F CB 1.774 40.745 39.000 -0.048 0.000 1.154 25 F HN 0.640 nan 8.300 nan 0.000 0.439 26 D N 1.440 121.891 120.400 0.085 0.000 2.123 26 D HA -0.077 4.563 4.640 0.000 0.000 0.200 26 D C 1.279 177.615 176.300 0.059 0.000 0.976 26 D CA 1.330 55.359 54.000 0.048 0.000 0.831 26 D CB 0.426 41.232 40.800 0.011 0.000 0.974 26 D HN 0.541 nan 8.370 nan 0.000 0.469 27 E N 0.615 120.865 120.200 0.083 0.000 3.268 27 E HA 0.262 4.612 4.350 0.000 0.000 0.447 27 E C 1.085 177.721 176.600 0.061 0.000 0.300 27 E CA -0.320 56.117 56.400 0.062 0.000 2.603 27 E CB -0.977 28.758 29.700 0.059 0.000 2.252 27 E HN -0.020 nan 8.360 nan 0.000 0.437 28 G N 1.409 110.241 108.800 0.054 0.000 2.313 28 G HA2 0.276 4.236 3.960 0.000 0.000 0.250 28 G HA3 0.276 4.236 3.960 0.000 0.000 0.250 28 G C -0.627 174.237 174.900 -0.060 0.000 1.281 28 G CA -0.170 44.933 45.100 0.004 0.000 0.917 28 G HN 0.021 nan 8.290 nan 0.000 0.501 29 L N 5.796 126.935 121.223 -0.141 0.000 2.264 29 L HA 0.432 4.772 4.340 0.000 0.000 0.289 29 L C -1.712 174.978 176.870 -0.301 0.000 1.044 29 L CA -2.122 52.528 54.840 -0.317 0.000 0.807 29 L CB 1.433 43.313 42.059 -0.298 0.000 1.192 29 L HN 0.335 nan 8.230 nan 0.000 0.425 30 P HA 0.200 nan 4.420 nan 0.000 0.267 30 P C -2.728 174.561 177.300 -0.019 0.000 1.205 30 P CA -1.098 61.844 63.100 -0.263 0.000 0.765 30 P CB -0.018 31.447 31.700 -0.391 0.000 0.828 31 P HA 0.181 nan 4.420 nan 0.000 0.274 31 P C 0.481 177.716 177.300 -0.108 0.000 1.237 31 P CA -0.280 62.799 63.100 -0.034 0.000 0.793 31 P CB 0.755 32.421 31.700 -0.057 0.000 0.977 32 I N 2.334 122.759 120.570 -0.242 0.000 2.845 32 I HA -0.182 3.988 4.170 0.000 0.000 0.296 32 I C 1.532 177.540 176.117 -0.182 0.000 1.216 32 I CA 0.751 61.917 61.300 -0.223 0.000 1.438 32 I CB -0.395 37.443 38.000 -0.270 0.000 1.342 32 I HN 0.465 nan 8.210 nan 0.000 0.577 33 L N 1.655 122.767 121.223 -0.185 0.000 4.110 33 L HA -0.238 4.102 4.340 0.000 0.000 0.404 33 L C 0.263 177.046 176.870 -0.145 0.000 0.763 33 L CA 0.085 54.767 54.840 -0.264 0.000 2.413 33 L CB -1.634 40.156 42.059 -0.449 0.000 1.244 33 L HN 0.677 nan 8.230 nan 0.000 0.614 34 N N 1.456 120.101 118.700 -0.090 0.000 2.454 34 N HA 0.428 5.168 4.740 0.000 0.000 0.254 34 N C 0.338 175.842 175.510 -0.010 0.000 1.228 34 N CA 0.993 54.016 53.050 -0.044 0.000 0.900 34 N CB 0.772 39.229 38.487 -0.051 0.000 1.089 34 N HN 0.324 nan 8.380 nan 0.000 0.449 35 A N 2.822 125.651 122.820 0.016 0.000 2.362 35 A HA 0.448 4.768 4.320 0.000 0.000 0.276 35 A C -0.281 177.329 177.584 0.043 0.000 1.153 35 A CA -0.424 51.635 52.037 0.037 0.000 0.813 35 A CB -0.078 18.950 19.000 0.047 0.000 1.081 35 A HN 0.628 nan 8.150 nan 0.000 0.507 36 L N 2.504 123.763 121.223 0.060 0.000 2.325 36 L HA 0.451 4.791 4.340 0.000 0.000 0.278 36 L C -0.152 176.762 176.870 0.072 0.000 1.023 36 L CA -0.613 54.281 54.840 0.090 0.000 0.811 36 L CB 1.696 43.840 42.059 0.142 0.000 1.249 36 L HN 0.638 nan 8.230 nan 0.000 0.431 37 E N 3.102 123.343 120.200 0.068 0.000 2.092 37 E HA 0.253 4.603 4.350 0.000 0.000 0.271 37 E C -0.778 175.845 176.600 0.037 0.000 0.919 37 E CA -0.619 55.809 56.400 0.046 0.000 0.760 37 E CB 2.291 32.012 29.700 0.036 0.000 1.106 37 E HN 0.218 nan 8.360 nan 0.000 0.408 38 V N 4.053 123.985 119.914 0.030 0.000 2.529 38 V HA -0.069 4.051 4.120 0.000 0.000 0.292 38 V C 0.759 176.858 176.094 0.008 0.000 1.028 38 V CA -0.013 62.297 62.300 0.016 0.000 1.074 38 V CB 0.313 32.145 31.823 0.014 0.000 0.958 38 V HN 0.491 nan 8.190 nan 0.000 0.481 39 Q N 2.719 122.518 119.800 -0.002 0.000 2.306 39 Q HA 0.415 4.755 4.340 0.000 0.000 0.241 39 Q C 1.130 177.126 176.000 -0.006 0.000 0.948 39 Q CA 0.530 56.331 55.803 -0.005 0.000 0.886 39 Q CB 1.282 30.013 28.738 -0.012 0.000 1.227 39 Q HN 1.166 nan 8.270 nan 0.000 0.457 40 G N 1.983 110.780 108.800 -0.004 0.000 2.225 40 G HA2 -0.215 3.745 3.960 0.000 0.000 0.264 40 G HA3 -0.215 3.745 3.960 0.000 0.000 0.264 40 G C -0.169 174.730 174.900 -0.002 0.000 1.060 40 G CA -0.075 45.023 45.100 -0.005 0.000 0.833 40 G HN 0.290 nan 8.290 nan 0.000 0.498 41 R N -0.417 120.084 120.500 0.001 0.000 2.732 41 R HA 0.475 4.815 4.340 0.000 0.000 0.278 41 R C 1.078 177.380 176.300 0.003 0.000 0.976 41 R CA -0.652 55.449 56.100 0.003 0.000 0.963 41 R CB 1.195 31.498 30.300 0.005 0.000 1.150 41 R HN 0.407 nan 8.270 nan 0.000 0.478 42 E N 0.715 120.917 120.200 0.003 0.000 2.046 42 E HA -0.069 4.281 4.350 0.000 0.000 0.190 42 E C -0.170 176.433 176.600 0.005 0.000 0.982 42 E CA 1.081 57.483 56.400 0.003 0.000 0.800 42 E CB 0.377 30.078 29.700 0.003 0.000 0.756 42 E HN 0.648 nan 8.360 nan 0.000 0.449 43 T N -1.584 112.974 114.554 0.006 0.000 2.888 43 T HA 0.373 4.723 4.350 0.000 0.000 0.284 43 T C -0.152 174.554 174.700 0.011 0.000 1.017 43 T CA -0.927 61.178 62.100 0.008 0.000 1.022 43 T CB 1.885 70.757 68.868 0.007 0.000 1.013 43 T HN 0.033 nan 8.240 nan 0.000 0.465 44 R N 1.140 121.648 120.500 0.014 0.000 2.488 44 R HA 0.165 4.505 4.340 0.000 0.000 0.317 44 R C -0.889 175.422 176.300 0.019 0.000 0.941 44 R CA -0.321 55.790 56.100 0.018 0.000 1.076 44 R CB -0.279 30.034 30.300 0.022 0.000 0.917 44 R HN 0.558 nan 8.270 nan 0.000 0.407 45 L N 6.420 127.654 121.223 0.019 0.000 2.294 45 L HA 0.330 4.670 4.340 0.000 0.000 0.283 45 L C -1.135 175.751 176.870 0.028 0.000 1.015 45 L CA -0.462 54.391 54.840 0.021 0.000 0.831 45 L CB 1.741 43.810 42.059 0.017 0.000 1.217 45 L HN 0.325 nan 8.230 nan 0.000 0.420 46 V N 6.332 126.265 119.914 0.032 0.000 2.481 46 V HA 0.429 4.549 4.120 0.000 0.000 0.286 46 V C 0.057 176.176 176.094 0.041 0.000 1.042 46 V CA -0.541 61.782 62.300 0.040 0.000 0.928 46 V CB 1.660 33.509 31.823 0.043 0.000 0.986 46 V HN 0.564 nan 8.190 nan 0.000 0.462 47 L N 4.229 125.481 121.223 0.049 0.000 2.305 47 L HA 0.518 4.858 4.340 0.000 0.000 0.284 47 L C 0.192 177.092 176.870 0.051 0.000 1.013 47 L CA -0.233 54.638 54.840 0.051 0.000 0.819 47 L CB 1.574 43.671 42.059 0.063 0.000 1.227 47 L HN 0.665 nan 8.230 nan 0.000 0.417 48 E N 2.902 123.128 120.200 0.043 0.000 2.229 48 E HA 0.256 4.606 4.350 0.000 0.000 0.283 48 E C -0.864 175.745 176.600 0.014 0.000 1.030 48 E CA -0.738 55.681 56.400 0.032 0.000 0.836 48 E CB 1.443 31.174 29.700 0.051 0.000 1.068 48 E HN 0.314 nan 8.360 nan 0.000 0.401 49 V N 4.666 124.577 119.914 -0.006 0.000 2.485 49 V HA 0.055 4.175 4.120 0.000 0.000 0.287 49 V C 0.962 177.033 176.094 -0.038 0.000 1.022 49 V CA 0.817 63.112 62.300 -0.008 0.000 1.067 49 V CB 0.689 32.501 31.823 -0.017 0.000 0.967 49 V HN 0.889 nan 8.190 nan 0.000 0.479 50 A N 4.385 127.196 122.820 -0.015 0.000 1.963 50 A HA 0.289 4.609 4.320 0.000 0.000 0.207 50 A C 0.793 178.352 177.584 -0.040 0.000 1.243 50 A CA 0.371 52.390 52.037 -0.030 0.000 0.728 50 A CB 0.301 19.294 19.000 -0.011 0.000 0.895 50 A HN 0.744 nan 8.150 nan 0.000 0.467 51 Q N -1.116 118.683 119.800 -0.001 0.000 2.377 51 Q HA 0.355 4.695 4.340 0.000 0.000 0.279 51 Q C -1.741 174.340 176.000 0.136 0.000 1.049 51 Q CA -0.485 55.325 55.803 0.013 0.000 0.825 51 Q CB 2.043 30.797 28.738 0.026 0.000 1.401 51 Q HN 0.666 nan 8.270 nan 0.000 0.404 52 H N 2.675 121.732 119.070 -0.022 0.000 2.641 52 H HA 0.228 4.784 4.556 0.000 0.000 0.295 52 H C 0.665 175.989 175.328 -0.007 0.000 1.070 52 H CA -0.294 55.743 56.048 -0.018 0.000 1.257 52 H CB 0.903 30.648 29.762 -0.028 0.000 1.393 52 H HN 0.447 nan 8.280 nan 0.000 0.464 53 L N 2.789 124.076 121.223 0.105 0.000 2.313 53 L HA 0.128 4.468 4.340 0.000 0.000 0.214 53 L C 1.241 178.136 176.870 0.041 0.000 1.119 53 L CA 0.650 55.525 54.840 0.058 0.000 0.809 53 L CB -0.084 42.000 42.059 0.043 0.000 0.933 53 L HN 0.858 nan 8.230 nan 0.000 0.449 54 G N -0.253 108.564 108.800 0.029 0.000 2.479 54 G HA2 -0.124 3.836 3.960 0.000 0.000 0.686 54 G HA3 -0.124 3.836 3.960 0.000 0.000 0.686 54 G C -0.296 174.601 174.900 -0.005 0.000 1.295 54 G CA -0.560 44.545 45.100 0.009 0.000 0.922 54 G HN 0.229 nan 8.290 nan 0.000 0.582 55 E N -0.913 119.283 120.200 -0.007 0.000 2.228 55 E HA -0.236 4.114 4.350 0.000 0.000 0.213 55 E C 0.878 177.474 176.600 -0.007 0.000 1.282 55 E CA 1.010 57.407 56.400 -0.005 0.000 0.707 55 E CB -1.721 27.980 29.700 0.002 0.000 1.150 55 E HN 1.930 nan 8.360 nan 0.000 0.362 56 S N -1.530 114.154 115.700 -0.026 0.000 3.477 56 S HA -0.208 4.262 4.470 0.000 0.000 0.357 56 S C 0.130 174.743 174.600 0.021 0.000 1.083 56 S CA 1.616 59.804 58.200 -0.020 0.000 1.042 56 S CB -0.831 62.376 63.200 0.013 0.000 0.911 56 S HN 0.485 nan 8.310 nan 0.000 0.490 57 T N 1.134 115.687 114.554 -0.002 0.000 2.824 57 T HA 0.627 4.977 4.350 0.000 0.000 0.282 57 T C 0.086 174.802 174.700 0.027 0.000 0.993 57 T CA -0.411 61.715 62.100 0.044 0.000 0.967 57 T CB 1.891 70.780 68.868 0.035 0.000 0.960 57 T HN 0.476 nan 8.240 nan 0.000 0.441 58 V N 1.283 121.248 119.914 0.086 0.000 2.715 58 V HA 0.779 4.899 4.120 0.000 0.000 0.310 58 V C -0.311 175.847 176.094 0.108 0.000 1.054 58 V CA -1.384 60.978 62.300 0.104 0.000 0.928 58 V CB 1.777 33.661 31.823 0.102 0.000 1.007 58 V HN 0.849 nan 8.190 nan 0.000 0.437 59 R N 2.278 122.834 120.500 0.094 0.000 2.368 59 R HA 0.748 5.089 4.340 0.000 0.000 0.302 59 R C -0.169 176.164 176.300 0.055 0.000 1.002 59 R CA 0.346 56.484 56.100 0.064 0.000 0.929 59 R CB 1.495 31.821 30.300 0.045 0.000 1.073 59 R HN 1.166 nan 8.270 nan 0.000 0.464 60 T N 2.289 116.871 114.554 0.047 0.000 2.906 60 T HA 0.496 4.846 4.350 0.000 0.000 0.295 60 T C 0.125 174.840 174.700 0.025 0.000 1.061 60 T CA -1.020 61.103 62.100 0.040 0.000 1.000 60 T CB 1.082 69.984 68.868 0.057 0.000 1.103 60 T HN 0.600 nan 8.240 nan 0.000 0.486 61 I N 0.193 120.774 120.570 0.018 0.000 2.392 61 I HA 0.850 5.020 4.170 0.000 0.000 0.295 61 I C -0.078 176.051 176.117 0.020 0.000 0.985 61 I CA -1.328 59.979 61.300 0.011 0.000 1.221 61 I CB 1.262 39.261 38.000 -0.001 0.000 1.366 61 I HN 0.883 nan 8.210 nan 0.000 0.467 62 A N 6.709 129.538 122.820 0.016 0.000 2.312 62 A HA 0.586 4.906 4.320 0.000 0.000 0.326 62 A C 0.627 178.222 177.584 0.018 0.000 1.172 62 A CA -0.828 51.221 52.037 0.020 0.000 0.821 62 A CB 1.241 20.251 19.000 0.018 0.000 1.166 62 A HN 0.874 nan 8.150 nan 0.000 0.493 63 M N 0.761 120.375 119.600 0.024 0.000 2.618 63 M HA 0.132 4.612 4.480 0.000 0.000 0.240 63 M C -0.029 176.282 176.300 0.020 0.000 1.123 63 M CA 0.871 56.186 55.300 0.024 0.000 1.060 63 M CB -1.065 31.553 32.600 0.031 0.000 1.535 63 M HN 0.783 nan 8.290 nan 0.000 0.507 64 D N -1.353 119.057 120.400 0.017 0.000 2.759 64 D HA 0.442 5.083 4.640 0.000 0.000 0.321 64 D C -0.479 175.828 176.300 0.011 0.000 1.267 64 D CA -0.226 53.782 54.000 0.014 0.000 0.933 64 D CB 1.219 42.028 40.800 0.015 0.000 1.431 64 D HN 0.108 nan 8.370 nan 0.000 0.504 65 G N -0.945 107.860 108.800 0.009 0.000 2.559 65 G HA2 0.313 4.273 3.960 0.000 0.000 0.235 65 G HA3 0.313 4.273 3.960 0.000 0.000 0.235 65 G C 0.769 175.673 174.900 0.007 0.000 1.266 65 G CA 0.661 45.765 45.100 0.007 0.000 0.847 65 G HN 0.408 nan 8.290 nan 0.000 0.583 66 T N -1.500 113.058 114.554 0.005 0.000 3.044 66 T HA 0.152 4.502 4.350 0.000 0.000 0.260 66 T C 0.810 175.512 174.700 0.003 0.000 1.019 66 T CA 0.109 62.212 62.100 0.005 0.000 0.921 66 T CB 0.111 68.982 68.868 0.005 0.000 1.053 66 T HN 0.691 nan 8.240 nan 0.000 0.533 67 E N 2.445 122.646 120.200 0.003 0.000 2.568 67 E HA 0.164 4.514 4.350 0.000 0.000 0.262 67 E C 1.210 177.811 176.600 0.001 0.000 0.961 67 E CA 1.121 57.522 56.400 0.002 0.000 0.945 67 E CB -0.250 29.451 29.700 0.002 0.000 0.924 67 E HN 0.542 nan 8.360 nan 0.000 0.467 68 G N 2.970 111.770 108.800 -0.000 0.000 2.217 68 G HA2 -0.269 3.691 3.960 0.000 0.000 0.246 68 G HA3 -0.269 3.691 3.960 0.000 0.000 0.246 68 G C 0.441 175.339 174.900 -0.003 0.000 0.990 68 G CA 0.182 45.281 45.100 -0.001 0.000 0.627 68 G HN 0.502 nan 8.290 nan 0.000 0.522 69 L N 0.789 122.011 121.223 -0.002 0.000 2.461 69 L HA 0.509 4.849 4.340 0.000 0.000 0.272 69 L C 0.488 177.354 176.870 -0.006 0.000 1.197 69 L CA -0.206 54.631 54.840 -0.004 0.000 0.836 69 L CB 1.195 43.252 42.059 -0.002 0.000 1.105 69 L HN 0.009 nan 8.230 nan 0.000 0.477 70 V N 2.793 122.701 119.914 -0.010 0.000 2.709 70 V HA 0.337 4.457 4.120 0.000 0.000 0.308 70 V C -0.048 176.036 176.094 -0.017 0.000 1.062 70 V CA -0.914 61.379 62.300 -0.012 0.000 0.901 70 V CB 2.013 33.828 31.823 -0.013 0.000 1.003 70 V HN 0.680 nan 8.190 nan 0.000 0.425 71 R N 2.593 123.083 120.500 -0.016 0.000 2.504 71 R HA 0.374 4.714 4.340 0.000 0.000 0.291 71 R C 1.292 177.576 176.300 -0.027 0.000 0.974 71 R CA 1.113 57.201 56.100 -0.020 0.000 1.077 71 R CB -0.026 30.264 30.300 -0.016 0.000 0.926 71 R HN 1.212 nan 8.270 nan 0.000 0.407 72 G N 1.700 110.478 108.800 -0.037 0.000 2.238 72 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 72 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 72 G C 0.204 175.073 174.900 -0.052 0.000 0.996 72 G CA -0.225 44.848 45.100 -0.045 0.000 0.632 72 G HN 0.586 nan 8.290 nan 0.000 0.503 73 Q N 1.095 120.869 119.800 -0.044 0.000 2.395 73 Q HA 0.435 4.775 4.340 0.000 0.000 0.271 73 Q C 0.220 176.182 176.000 -0.062 0.000 1.026 73 Q CA 0.321 56.098 55.803 -0.043 0.000 0.900 73 Q CB 0.314 29.035 28.738 -0.030 0.000 1.266 73 Q HN 0.415 nan 8.270 nan 0.000 0.430 74 K N 1.432 121.797 120.400 -0.059 0.000 2.174 74 K HA 0.387 4.707 4.320 0.000 0.000 0.275 74 K C -1.266 175.293 176.600 -0.068 0.000 1.015 74 K CA -0.486 55.754 56.287 -0.079 0.000 0.933 74 K CB 1.374 33.836 32.500 -0.064 0.000 1.025 74 K HN 0.306 nan 8.250 nan 0.000 0.463 75 V N 4.601 124.452 119.914 -0.105 0.000 2.531 75 V HA 0.327 4.447 4.120 0.000 0.000 0.301 75 V C -0.440 175.646 176.094 -0.013 0.000 1.034 75 V CA -0.905 61.366 62.300 -0.049 0.000 0.865 75 V CB 1.407 33.197 31.823 -0.054 0.000 0.995 75 V HN 0.627 nan 8.190 nan 0.000 0.424 76 L N 3.002 124.257 121.223 0.053 0.000 2.343 76 L HA 0.552 4.892 4.340 0.000 0.000 0.275 76 L C -0.233 176.734 176.870 0.162 0.000 1.056 76 L CA -0.477 54.422 54.840 0.098 0.000 0.804 76 L CB 1.684 43.776 42.059 0.055 0.000 1.203 76 L HN 0.620 nan 8.230 nan 0.000 0.440 77 D N 0.376 120.894 120.400 0.196 0.000 2.313 77 D HA 0.074 4.714 4.640 0.000 0.000 0.239 77 D C 0.985 177.322 176.300 0.062 0.000 1.142 77 D CA -0.263 53.813 54.000 0.127 0.000 0.847 77 D CB 1.515 42.367 40.800 0.087 0.000 1.082 77 D HN 0.492 nan 8.370 nan 0.000 0.480 78 S N 2.687 118.412 115.700 0.041 0.000 2.507 78 S HA 0.076 4.546 4.470 0.000 0.000 0.235 78 S C 1.695 176.298 174.600 0.006 0.000 0.988 78 S CA 0.506 58.718 58.200 0.021 0.000 0.944 78 S CB -0.376 62.835 63.200 0.018 0.000 0.762 78 S HN 0.958 nan 8.310 nan 0.000 0.526 79 G N 0.179 108.980 108.800 0.002 0.000 2.136 79 G HA2 0.166 4.126 3.960 0.000 0.000 0.242 79 G HA3 0.166 4.126 3.960 0.000 0.000 0.242 79 G C 0.135 175.027 174.900 -0.013 0.000 0.989 79 G CA -0.107 44.987 45.100 -0.010 0.000 0.682 79 G HN 1.688 nan 8.290 nan 0.000 0.522 80 A N -1.411 121.404 122.820 -0.008 0.000 2.544 80 A HA 0.853 5.173 4.320 0.000 0.000 0.291 80 A C -2.977 174.613 177.584 0.010 0.000 1.055 80 A CA -0.344 51.692 52.037 -0.003 0.000 0.651 80 A CB 0.758 19.758 19.000 0.001 0.000 1.296 80 A HN 0.206 nan 8.150 nan 0.000 0.431 81 P HA 0.390 nan 4.420 nan 0.000 0.274 81 P C -0.271 177.077 177.300 0.081 0.000 1.260 81 P CA -0.270 62.864 63.100 0.057 0.000 0.793 81 P CB 0.172 31.933 31.700 0.102 0.000 1.048 82 I N 0.679 121.316 120.570 0.113 0.000 2.742 82 I HA -0.070 4.100 4.170 0.000 0.000 0.287 82 I C 1.130 177.304 176.117 0.094 0.000 1.186 82 I CA 0.817 62.175 61.300 0.096 0.000 1.417 82 I CB -0.314 37.743 38.000 0.095 0.000 1.377 82 I HN 0.108 nan 8.210 nan 0.000 0.556 83 R N 7.629 128.189 120.500 0.100 0.000 2.589 83 R HA 0.775 5.115 4.340 0.000 0.000 0.293 83 R C -0.696 175.715 176.300 0.186 0.000 0.963 83 R CA -0.861 55.321 56.100 0.137 0.000 0.905 83 R CB 1.857 32.243 30.300 0.143 0.000 1.144 83 R HN 0.585 nan 8.270 nan 0.000 0.459 84 I N -1.599 119.054 120.570 0.138 0.000 2.828 84 I HA 0.559 4.729 4.170 0.000 0.000 0.302 84 I C -2.697 173.297 176.117 -0.205 0.000 1.101 84 I CA -3.466 57.845 61.300 0.018 0.000 1.031 84 I CB 2.272 40.245 38.000 -0.044 0.000 1.231 84 I HN 0.282 nan 8.210 nan 0.000 0.427 85 P HA 0.132 nan 4.420 nan 0.000 0.263 85 P C -0.791 176.198 177.300 -0.519 0.000 1.195 85 P CA -0.051 62.552 63.100 -0.829 0.000 0.762 85 P CB 0.645 31.917 31.700 -0.713 0.000 0.799 86 V N 1.184 120.753 119.914 -0.576 0.000 2.709 86 V HA 1.028 5.148 4.120 0.000 0.000 0.308 86 V C -0.022 175.409 176.094 -1.106 0.000 1.062 86 V CA -0.411 61.451 62.300 -0.730 0.000 0.901 86 V CB 1.581 33.036 31.823 -0.614 0.000 1.003 86 V HN 0.872 nan 8.190 nan 0.000 0.425 87 G N 3.577 111.650 108.800 -1.211 0.000 2.359 87 G HA2 0.345 4.305 3.960 0.000 0.000 0.314 87 G HA3 0.345 4.305 3.960 0.000 0.000 0.314 87 G C -2.615 172.075 174.900 -0.350 0.000 1.364 87 G CA 0.053 44.592 45.100 -0.935 0.000 0.978 87 G HN 0.554 nan 8.290 nan 0.000 0.615 88 P HA -0.224 nan 4.420 nan 0.000 0.222 88 P C 1.454 178.739 177.300 -0.027 0.000 1.155 88 P CA 2.094 65.225 63.100 0.052 0.000 0.890 88 P CB 0.042 31.778 31.700 0.060 0.000 0.790 89 E N -1.026 119.121 120.200 -0.088 0.000 2.401 89 E HA -0.110 4.240 4.350 0.000 0.000 0.199 89 E C 1.607 178.153 176.600 -0.090 0.000 1.023 89 E CA 1.584 57.932 56.400 -0.087 0.000 0.859 89 E CB -1.203 28.429 29.700 -0.113 0.000 0.780 89 E HN 0.484 nan 8.360 nan 0.000 0.523 90 T N -1.069 113.424 114.554 -0.103 0.000 3.067 90 T HA 0.096 4.446 4.350 0.000 0.000 0.261 90 T C 1.183 175.887 174.700 0.007 0.000 1.110 90 T CA -0.142 61.916 62.100 -0.070 0.000 1.113 90 T CB -0.215 68.586 68.868 -0.111 0.000 0.917 90 T HN -0.020 nan 8.240 nan 0.000 0.499 91 L N 2.042 123.272 121.223 0.012 0.000 2.462 91 L HA 0.443 4.783 4.340 0.000 0.000 0.272 91 L C 1.700 178.584 176.870 0.022 0.000 1.166 91 L CA 0.731 55.572 54.840 0.002 0.000 0.880 91 L CB -0.034 41.971 42.059 -0.090 0.000 1.142 91 L HN 0.510 nan 8.230 nan 0.000 0.473 92 G N 1.816 110.649 108.800 0.054 0.000 2.184 92 G HA2 -0.235 3.725 3.960 0.000 0.000 0.264 92 G HA3 -0.235 3.725 3.960 0.000 0.000 0.264 92 G C 0.437 175.404 174.900 0.113 0.000 0.975 92 G CA -0.239 44.907 45.100 0.077 0.000 0.642 92 G HN 0.468 nan 8.290 nan 0.000 0.536 93 R N -0.100 120.446 120.500 0.077 0.000 2.532 93 R HA 0.717 5.057 4.340 0.000 0.000 0.272 93 R C 0.478 176.812 176.300 0.056 0.000 1.032 93 R CA -1.049 55.084 56.100 0.055 0.000 1.089 93 R CB 0.586 30.890 30.300 0.007 0.000 1.098 93 R HN 0.313 nan 8.270 nan 0.000 0.526 94 I N 2.508 123.076 120.570 -0.003 0.000 2.362 94 I HA 0.348 4.518 4.170 0.000 0.000 0.289 94 I C 0.259 176.374 176.117 -0.004 0.000 0.994 94 I CA -0.314 60.981 61.300 -0.009 0.000 1.158 94 I CB 1.332 39.235 38.000 -0.161 0.000 1.315 94 I HN 0.230 nan 8.210 nan 0.000 0.451 95 M N 5.676 125.298 119.600 0.036 0.000 2.598 95 M HA 0.356 4.836 4.480 0.000 0.000 0.317 95 M C -0.142 176.187 176.300 0.047 0.000 1.201 95 M CA -0.592 54.718 55.300 0.017 0.000 0.971 95 M CB 1.919 34.514 32.600 -0.008 0.000 1.657 95 M HN 0.647 nan 8.290 nan 0.000 0.470 96 N N 0.372 119.089 118.700 0.029 0.000 2.717 96 N HA 0.295 5.035 4.740 0.000 0.000 0.314 96 N C 0.470 175.993 175.510 0.022 0.000 1.324 96 N CA -0.693 52.381 53.050 0.040 0.000 0.902 96 N CB -0.349 38.158 38.487 0.033 0.000 1.126 96 N HN 0.383 nan 8.380 nan 0.000 0.579 97 V N -0.733 119.195 119.914 0.024 0.000 2.469 97 V HA -0.164 3.956 4.120 0.000 0.000 0.251 97 V C 1.682 177.784 176.094 0.014 0.000 1.064 97 V CA 2.015 64.325 62.300 0.016 0.000 1.066 97 V CB -1.278 30.559 31.823 0.022 0.000 0.667 97 V HN 0.739 nan 8.190 nan 0.000 0.461 98 I N -1.900 118.683 120.570 0.021 0.000 3.877 98 I HA 0.692 4.862 4.170 0.000 0.000 0.332 98 I C 1.373 177.507 176.117 0.029 0.000 1.525 98 I CA 0.424 61.742 61.300 0.030 0.000 1.146 98 I CB -0.001 38.022 38.000 0.038 0.000 1.137 98 I HN 0.268 nan 8.210 nan 0.000 0.424 99 G N 1.243 110.046 108.800 0.005 0.000 2.189 99 G HA2 -0.297 3.663 3.960 0.000 0.000 0.267 99 G HA3 -0.297 3.663 3.960 0.000 0.000 0.267 99 G C 0.042 174.932 174.900 -0.016 0.000 0.975 99 G CA 0.252 45.339 45.100 -0.022 0.000 0.644 99 G HN 0.644 nan 8.290 nan 0.000 0.537 100 E N 1.978 122.181 120.200 0.006 0.000 2.384 100 E HA 0.303 4.653 4.350 0.000 0.000 0.266 100 E C -1.924 174.670 176.600 -0.011 0.000 1.012 100 E CA -1.309 55.094 56.400 0.005 0.000 0.901 100 E CB 0.841 30.548 29.700 0.013 0.000 0.967 100 E HN 0.240 nan 8.360 nan 0.000 0.435 101 P HA -0.014 nan 4.420 nan 0.000 0.271 101 P C 0.002 177.283 177.300 -0.031 0.000 1.216 101 P CA 0.531 63.614 63.100 -0.027 0.000 0.776 101 P CB 0.351 32.036 31.700 -0.025 0.000 0.881 102 I N -0.990 119.550 120.570 -0.051 0.000 3.817 102 I HA 0.247 4.417 4.170 0.000 0.000 0.325 102 I C 0.110 176.153 176.117 -0.123 0.000 1.550 102 I CA -0.306 60.953 61.300 -0.068 0.000 1.100 102 I CB 0.004 37.972 38.000 -0.053 0.000 1.216 102 I HN 0.028 nan 8.210 nan 0.000 0.481 103 D N 0.318 120.642 120.400 -0.127 0.000 2.363 103 D HA 0.028 4.668 4.640 0.000 0.000 0.214 103 D C 0.398 176.656 176.300 -0.069 0.000 1.093 103 D CA -0.158 53.739 54.000 -0.173 0.000 0.837 103 D CB -0.138 40.537 40.800 -0.208 0.000 0.948 103 D HN 0.436 nan 8.370 nan 0.000 0.507 104 E N -0.258 119.916 120.200 -0.044 0.000 2.476 104 E HA -0.266 4.084 4.350 0.000 0.000 0.251 104 E C 0.212 176.813 176.600 0.002 0.000 1.130 104 E CA 0.241 56.633 56.400 -0.015 0.000 0.736 104 E CB -1.229 28.467 29.700 -0.008 0.000 1.298 104 E HN 0.392 nan 8.360 nan 0.000 0.400 105 R N -0.053 120.448 120.500 0.002 0.000 2.586 105 R HA 0.284 4.624 4.340 0.000 0.000 0.336 105 R C 0.796 177.101 176.300 0.007 0.000 1.060 105 R CA 0.321 56.429 56.100 0.013 0.000 1.079 105 R CB 1.046 31.362 30.300 0.026 0.000 1.317 105 R HN 0.337 nan 8.270 nan 0.000 0.568 106 G N 1.826 110.628 108.800 0.003 0.000 2.725 106 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 106 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 106 G C -2.414 172.486 174.900 0.000 0.000 1.357 106 G CA -1.252 43.850 45.100 0.003 0.000 0.866 106 G HN 0.064 nan 8.290 nan 0.000 0.548 107 P HA 0.372 nan 4.420 nan 0.000 0.270 107 P C 0.126 177.419 177.300 -0.012 0.000 1.221 107 P CA 0.001 63.104 63.100 0.004 0.000 0.788 107 P CB 0.250 31.959 31.700 0.015 0.000 0.904 108 I N 1.144 121.698 120.570 -0.027 0.000 2.388 108 I HA 0.188 4.358 4.170 0.000 0.000 0.281 108 I C 0.510 176.579 176.117 -0.080 0.000 1.046 108 I CA -0.496 60.763 61.300 -0.068 0.000 1.187 108 I CB 0.560 38.491 38.000 -0.114 0.000 1.351 108 I HN 0.055 nan 8.210 nan 0.000 0.472 109 K N 5.188 125.559 120.400 -0.049 0.000 2.278 109 K HA 0.151 4.471 4.320 0.000 0.000 0.237 109 K C 0.436 177.008 176.600 -0.048 0.000 1.229 109 K CA -0.134 56.140 56.287 -0.022 0.000 1.155 109 K CB -0.223 32.276 32.500 -0.002 0.000 1.590 109 K HN 0.615 nan 8.250 nan 0.000 0.290 110 T N -2.009 112.486 114.554 -0.099 0.000 2.929 110 T HA 0.269 4.619 4.350 0.000 0.000 0.284 110 T C 0.964 175.667 174.700 0.006 0.000 1.014 110 T CA -0.875 61.144 62.100 -0.135 0.000 1.051 110 T CB 1.651 70.311 68.868 -0.347 0.000 1.028 110 T HN 0.094 nan 8.240 nan 0.000 0.485 111 K N 0.735 121.140 120.400 0.008 0.000 2.217 111 K HA 0.086 4.406 4.320 0.000 0.000 0.202 111 K C 1.032 177.719 176.600 0.144 0.000 1.051 111 K CA 1.022 57.354 56.287 0.075 0.000 0.952 111 K CB 0.029 32.562 32.500 0.055 0.000 0.736 111 K HN 0.786 nan 8.250 nan 0.000 0.453 112 Q N -0.787 119.093 119.800 0.133 0.000 2.416 112 Q HA 0.327 4.667 4.340 0.000 0.000 0.281 112 Q C -0.993 175.154 176.000 0.245 0.000 1.067 112 Q CA -0.671 55.276 55.803 0.239 0.000 0.809 112 Q CB 0.914 29.741 28.738 0.148 0.000 1.418 112 Q HN -0.128 nan 8.270 nan 0.000 0.411 113 F N 0.173 120.091 119.950 -0.055 0.000 2.629 113 F HA 0.943 5.470 4.527 0.000 0.000 0.386 113 F C -0.135 175.643 175.800 -0.037 0.000 1.135 113 F CA -0.665 57.296 58.000 -0.065 0.000 1.116 113 F CB 1.605 40.579 39.000 -0.043 0.000 1.426 113 F HN 0.868 nan 8.300 nan 0.000 0.501 114 A N -0.216 122.706 122.820 0.171 0.000 2.577 114 A HA 0.726 5.046 4.320 0.000 0.000 0.297 114 A C -1.383 176.250 177.584 0.081 0.000 1.060 114 A CA -0.486 51.610 52.037 0.099 0.000 0.697 114 A CB 0.603 19.639 19.000 0.060 0.000 1.281 114 A HN 1.117 nan 8.150 nan 0.000 0.402 115 A N 1.105 123.968 122.820 0.073 0.000 2.462 115 A HA 0.475 4.795 4.320 0.000 0.000 0.243 115 A C 1.081 178.689 177.584 0.040 0.000 1.076 115 A CA 0.314 52.395 52.037 0.072 0.000 0.773 115 A CB -0.396 18.653 19.000 0.082 0.000 1.010 115 A HN 1.884 nan 8.150 nan 0.000 0.493 116 I N -0.903 119.680 120.570 0.021 0.000 3.428 116 I HA 0.111 4.281 4.170 0.000 0.000 0.286 116 I C 0.146 176.139 176.117 -0.207 0.000 1.287 116 I CA 0.320 61.568 61.300 -0.087 0.000 1.396 116 I CB -0.213 37.720 38.000 -0.112 0.000 1.062 116 I HN 0.503 nan 8.210 nan 0.000 0.471 117 H N 2.682 121.759 119.070 0.012 0.000 2.519 117 H HA 0.782 5.338 4.556 0.000 0.000 0.316 117 H C -0.596 174.735 175.328 0.006 0.000 1.065 117 H CA -0.217 55.837 56.048 0.009 0.000 1.264 117 H CB 1.617 31.385 29.762 0.010 0.000 1.413 117 H HN 0.426 nan 8.280 nan 0.000 0.465 118 A N 3.577 126.447 122.820 0.083 0.000 2.594 118 A HA 0.316 4.636 4.320 0.000 0.000 0.295 118 A C -0.436 177.171 177.584 0.039 0.000 1.071 118 A CA -0.958 51.109 52.037 0.051 0.000 0.685 118 A CB 1.624 20.637 19.000 0.023 0.000 1.285 118 A HN 0.553 nan 8.150 nan 0.000 0.405 119 E N 0.882 121.101 120.200 0.033 0.000 2.415 119 E HA 0.376 4.726 4.350 0.000 0.000 0.262 119 E C 0.628 177.239 176.600 0.018 0.000 1.038 119 E CA 0.372 56.788 56.400 0.027 0.000 0.921 119 E CB 0.976 30.690 29.700 0.024 0.000 0.950 119 E HN 0.813 nan 8.360 nan 0.000 0.438 120 A N 4.302 127.133 122.820 0.019 0.000 2.386 120 A HA 0.319 4.639 4.320 0.000 0.000 0.248 120 A C -2.002 175.594 177.584 0.021 0.000 1.082 120 A CA -1.105 50.941 52.037 0.015 0.000 0.789 120 A CB -0.465 18.548 19.000 0.023 0.000 1.025 120 A HN 0.329 nan 8.150 nan 0.000 0.490 121 P HA 0.048 nan 4.420 nan 0.000 0.263 121 P C -0.138 177.187 177.300 0.040 0.000 1.175 121 P CA 0.310 63.421 63.100 0.018 0.000 0.761 121 P CB 0.381 32.086 31.700 0.007 0.000 0.794 122 E N 1.699 121.925 120.200 0.043 0.000 2.392 122 E HA 0.001 4.351 4.350 0.000 0.000 0.256 122 E C 0.827 177.494 176.600 0.112 0.000 1.145 122 E CA -0.304 56.145 56.400 0.080 0.000 0.929 122 E CB 0.156 29.897 29.700 0.067 0.000 0.998 122 E HN 0.390 nan 8.360 nan 0.000 0.442 123 F N 2.038 121.987 119.950 -0.000 0.000 2.154 123 F HA -0.231 4.296 4.527 0.000 0.000 0.301 123 F C 1.843 177.642 175.800 -0.002 0.000 1.087 123 F CA 1.746 59.745 58.000 -0.001 0.000 1.274 123 F CB -0.250 38.749 39.000 -0.001 0.000 1.009 123 F HN 0.264 nan 8.300 nan 0.000 0.485 124 V N -2.222 117.653 119.914 -0.065 0.000 3.241 124 V HA -0.127 3.993 4.120 0.000 0.000 0.269 124 V C 1.442 177.451 176.094 -0.142 0.000 1.151 124 V CA 1.740 63.947 62.300 -0.156 0.000 1.158 124 V CB -1.045 30.753 31.823 -0.040 0.000 0.764 124 V HN 0.426 nan 8.190 nan 0.000 0.508 125 E N -0.027 120.113 120.200 -0.101 0.000 2.479 125 E HA 0.195 4.546 4.350 0.000 0.000 0.193 125 E C 0.658 177.199 176.600 -0.099 0.000 1.049 125 E CA -0.243 56.110 56.400 -0.078 0.000 0.870 125 E CB 0.067 29.746 29.700 -0.035 0.000 0.944 125 E HN 0.477 nan 8.360 nan 0.000 0.492 126 M N 0.685 120.188 119.600 -0.162 0.000 2.226 126 M HA 0.134 4.614 4.480 0.000 0.000 0.324 126 M C 0.386 176.605 176.300 -0.135 0.000 1.112 126 M CA 0.199 55.412 55.300 -0.145 0.000 1.176 126 M CB 1.074 33.563 32.600 -0.185 0.000 1.430 126 M HN -0.168 nan 8.290 nan 0.000 0.462 127 S N 0.457 116.105 115.700 -0.087 0.000 2.521 127 S HA 0.544 5.014 4.470 0.000 0.000 0.295 127 S C 0.354 174.924 174.600 -0.050 0.000 1.098 127 S CA -0.851 57.309 58.200 -0.067 0.000 0.999 127 S CB 1.180 64.353 63.200 -0.045 0.000 1.034 127 S HN 0.556 nan 8.310 nan 0.000 0.483 128 V N 1.063 120.949 119.914 -0.046 0.000 3.647 128 V HA 0.453 4.574 4.120 0.000 0.000 0.279 128 V C 0.469 176.554 176.094 -0.015 0.000 1.314 128 V CA -0.057 62.227 62.300 -0.027 0.000 1.125 128 V CB -0.485 31.322 31.823 -0.027 0.000 0.907 128 V HN 0.717 nan 8.190 nan 0.000 0.434 129 E N 3.383 123.573 120.200 -0.017 0.000 2.415 129 E HA 0.255 4.605 4.350 0.000 0.000 0.263 129 E C -0.166 176.433 176.600 -0.000 0.000 0.995 129 E CA 0.591 56.986 56.400 -0.008 0.000 0.915 129 E CB 0.676 30.371 29.700 -0.009 0.000 0.951 129 E HN 0.913 nan 8.360 nan 0.000 0.449 130 Q N 1.326 121.129 119.800 0.006 0.000 2.331 130 Q HA 0.458 4.798 4.340 0.000 0.000 0.249 130 Q C -0.961 175.050 176.000 0.019 0.000 0.913 130 Q CA -0.765 55.047 55.803 0.015 0.000 0.874 130 Q CB 1.595 30.344 28.738 0.017 0.000 1.384 130 Q HN 0.493 nan 8.270 nan 0.000 0.427 131 E N 2.434 122.650 120.200 0.027 0.000 2.383 131 E HA 0.542 4.892 4.350 0.000 0.000 0.275 131 E C -1.105 175.523 176.600 0.046 0.000 0.918 131 E CA -1.137 55.283 56.400 0.032 0.000 0.764 131 E CB 2.202 31.918 29.700 0.028 0.000 1.252 131 E HN 0.639 nan 8.360 nan 0.000 0.449 132 I N 2.036 122.638 120.570 0.053 0.000 2.710 132 I HA -0.010 4.160 4.170 0.000 0.000 0.286 132 I C -0.818 175.343 176.117 0.073 0.000 1.181 132 I CA -0.367 60.974 61.300 0.069 0.000 1.430 132 I CB 0.448 38.495 38.000 0.080 0.000 1.367 132 I HN 0.502 nan 8.210 nan 0.000 0.577 133 L N 9.153 130.431 121.223 0.092 0.000 2.283 133 L HA 0.374 4.714 4.340 0.000 0.000 0.281 133 L C -0.610 176.304 176.870 0.073 0.000 1.033 133 L CA -0.224 54.674 54.840 0.096 0.000 0.848 133 L CB 1.037 43.177 42.059 0.136 0.000 1.226 133 L HN 0.316 nan 8.230 nan 0.000 0.429 134 V N 4.400 124.346 119.914 0.052 0.000 2.530 134 V HA 0.248 4.368 4.120 0.000 0.000 0.282 134 V C 1.347 177.446 176.094 0.008 0.000 1.048 134 V CA 0.547 62.861 62.300 0.023 0.000 0.997 134 V CB 1.186 33.027 31.823 0.030 0.000 0.987 134 V HN 0.927 nan 8.190 nan 0.000 0.477 135 T N -0.219 114.313 114.554 -0.037 0.000 2.990 135 T HA 0.267 4.617 4.350 0.000 0.000 0.249 135 T C 1.373 176.040 174.700 -0.055 0.000 1.039 135 T CA 0.725 62.798 62.100 -0.046 0.000 1.036 135 T CB 0.493 69.294 68.868 -0.111 0.000 0.994 135 T HN 1.509 nan 8.240 nan 0.000 0.489 136 G N 1.622 110.394 108.800 -0.046 0.000 2.143 136 G HA2 -0.188 3.772 3.960 0.000 0.000 0.249 136 G HA3 -0.188 3.772 3.960 0.000 0.000 0.249 136 G C -0.055 174.819 174.900 -0.044 0.000 0.981 136 G CA 0.165 45.241 45.100 -0.040 0.000 0.665 136 G HN 0.666 nan 8.290 nan 0.000 0.528 137 I N 0.485 121.026 120.570 -0.049 0.000 2.355 137 I HA 0.290 4.460 4.170 0.000 0.000 0.288 137 I C 1.454 177.575 176.117 0.005 0.000 0.999 137 I CA -0.913 60.387 61.300 0.000 0.000 1.163 137 I CB 1.443 39.443 38.000 0.000 0.000 1.316 137 I HN -0.026 nan 8.210 nan 0.000 0.454 138 K N 3.456 123.869 120.400 0.022 0.000 2.001 138 K HA -0.169 4.151 4.320 0.000 0.000 0.214 138 K C 1.804 178.415 176.600 0.018 0.000 1.050 138 K CA 1.320 57.627 56.287 0.033 0.000 0.934 138 K CB -0.111 32.397 32.500 0.014 0.000 0.718 138 K HN 0.524 nan 8.250 nan 0.000 0.443 139 V N 1.099 121.023 119.914 0.016 0.000 2.490 139 V HA -0.202 3.918 4.120 0.000 0.000 0.250 139 V C 1.998 178.067 176.094 -0.040 0.000 1.061 139 V CA 1.513 63.795 62.300 -0.030 0.000 1.064 139 V CB 0.014 31.846 31.823 0.014 0.000 0.670 139 V HN 0.140 nan 8.190 nan 0.000 0.461 140 V N -0.021 119.864 119.914 -0.048 0.000 2.302 140 V HA -0.142 3.978 4.120 0.000 0.000 0.243 140 V C 2.339 178.350 176.094 -0.138 0.000 1.036 140 V CA 2.201 64.417 62.300 -0.140 0.000 1.020 140 V CB -0.726 30.905 31.823 -0.320 0.000 0.657 140 V HN 0.533 nan 8.190 nan 0.000 0.453 141 D N -0.024 120.311 120.400 -0.108 0.000 2.149 141 D HA -0.166 4.474 4.640 0.000 0.000 0.198 141 D C 1.935 178.292 176.300 0.095 0.000 0.990 141 D CA 1.346 55.330 54.000 -0.027 0.000 0.839 141 D CB -0.117 40.666 40.800 -0.028 0.000 0.948 141 D HN 0.351 nan 8.370 nan 0.000 0.460 142 L N -0.124 121.117 121.223 0.030 0.000 2.049 142 L HA -0.021 4.319 4.340 0.000 0.000 0.203 142 L C 2.078 179.026 176.870 0.130 0.000 1.074 142 L CA 1.318 56.191 54.840 0.055 0.000 0.749 142 L CB -0.110 41.852 42.059 -0.162 0.000 0.907 142 L HN -0.050 nan 8.230 nan 0.000 0.439 143 L N -0.961 120.257 121.223 -0.008 0.000 2.408 143 L HA 0.343 4.683 4.340 0.000 0.000 0.215 143 L C 0.768 177.634 176.870 -0.005 0.000 1.081 143 L CA 0.446 55.264 54.840 -0.037 0.000 0.840 143 L CB -0.144 41.866 42.059 -0.081 0.000 1.002 143 L HN 0.248 nan 8.230 nan 0.000 0.468 144 A N 0.572 123.402 122.820 0.017 0.000 3.422 144 A HA 0.446 4.766 4.320 0.000 0.000 0.271 144 A C -2.708 174.911 177.584 0.058 0.000 1.104 144 A CA -0.766 51.304 52.037 0.055 0.000 0.899 144 A CB -0.118 18.940 19.000 0.097 0.000 1.309 144 A HN -0.157 nan 8.150 nan 0.000 0.580 145 P HA 0.221 nan 4.420 nan 0.000 0.275 145 P C -0.559 176.830 177.300 0.148 0.000 1.227 145 P CA 0.211 63.309 63.100 -0.003 0.000 0.781 145 P CB 0.431 32.160 31.700 0.049 0.000 0.906 146 Y N 0.539 120.872 120.300 0.054 0.000 2.326 146 Y HA 0.398 4.948 4.550 0.000 0.000 0.333 146 Y C 1.272 177.190 175.900 0.031 0.000 1.240 146 Y CA -1.232 56.892 58.100 0.039 0.000 1.365 146 Y CB 0.689 39.170 38.460 0.035 0.000 1.289 146 Y HN 0.394 nan 8.280 nan 0.000 0.548 147 A N 2.602 125.532 122.820 0.184 0.000 2.320 147 A HA 0.432 4.752 4.320 0.000 0.000 0.334 147 A C -0.769 176.856 177.584 0.068 0.000 1.147 147 A CA -1.100 50.997 52.037 0.099 0.000 0.820 147 A CB 0.789 19.828 19.000 0.066 0.000 1.218 147 A HN 0.765 nan 8.150 nan 0.000 0.482 148 K N 0.456 120.886 120.400 0.051 0.000 2.379 148 K HA 0.375 4.695 4.320 0.000 0.000 0.284 148 K C 1.044 177.648 176.600 0.007 0.000 1.044 148 K CA 1.173 57.478 56.287 0.030 0.000 0.974 148 K CB 0.432 32.953 32.500 0.035 0.000 0.962 148 K HN 1.462 nan 8.250 nan 0.000 0.474 149 G N 2.187 110.978 108.800 -0.015 0.000 2.153 149 G HA2 -0.246 3.714 3.960 0.000 0.000 0.252 149 G HA3 -0.246 3.714 3.960 0.000 0.000 0.252 149 G C 0.396 175.274 174.900 -0.037 0.000 0.994 149 G CA 0.044 45.127 45.100 -0.029 0.000 0.698 149 G HN 0.839 nan 8.290 nan 0.000 0.521 150 G N -0.854 107.923 108.800 -0.039 0.000 2.502 150 G HA2 0.580 4.540 3.960 0.000 0.000 0.305 150 G HA3 0.580 4.540 3.960 0.000 0.000 0.305 150 G C -0.136 174.714 174.900 -0.083 0.000 1.190 150 G CA -0.769 44.307 45.100 -0.039 0.000 0.933 150 G HN 0.292 nan 8.290 nan 0.000 0.503 151 K N 0.676 121.033 120.400 -0.071 0.000 2.300 151 K HA 0.298 4.618 4.320 0.000 0.000 0.264 151 K C -0.707 175.814 176.600 -0.131 0.000 1.083 151 K CA -0.225 56.002 56.287 -0.099 0.000 0.958 151 K CB 1.069 33.539 32.500 -0.050 0.000 1.318 151 K HN 0.230 nan 8.250 nan 0.000 0.448 152 I N 1.237 121.666 120.570 -0.235 0.000 2.440 152 I HA 0.263 4.433 4.170 0.000 0.000 0.294 152 I C 0.810 176.762 176.117 -0.274 0.000 0.995 152 I CA -0.202 60.890 61.300 -0.346 0.000 1.306 152 I CB 1.671 39.226 38.000 -0.742 0.000 1.407 152 I HN 0.476 nan 8.210 nan 0.000 0.501 153 G N 6.112 114.784 108.800 -0.214 0.000 2.513 153 G HA2 0.677 4.637 3.960 0.000 0.000 0.317 153 G HA3 0.677 4.637 3.960 0.000 0.000 0.317 153 G C -0.898 173.863 174.900 -0.231 0.000 1.277 153 G CA -0.609 44.313 45.100 -0.296 0.000 0.955 153 G HN 0.477 nan 8.290 nan 0.000 0.484 154 L N 2.543 123.597 121.223 -0.281 0.000 2.321 154 L HA 0.370 4.710 4.340 0.000 0.000 0.272 154 L C -0.707 176.058 176.870 -0.175 0.000 1.050 154 L CA -0.596 54.185 54.840 -0.098 0.000 0.893 154 L CB 0.268 42.331 42.059 0.007 0.000 1.272 154 L HN 0.337 nan 8.230 nan 0.000 0.435 155 F N 1.444 121.382 119.950 -0.019 0.000 2.467 155 F HA 0.579 5.106 4.527 0.000 0.000 0.362 155 F C 1.134 176.948 175.800 0.023 0.000 1.090 155 F CA -0.085 57.889 58.000 -0.042 0.000 1.202 155 F CB 1.397 40.346 39.000 -0.085 0.000 1.113 155 F HN 0.400 nan 8.300 nan 0.000 0.541 156 G N 1.512 110.411 108.800 0.165 0.000 2.755 156 G HA2 0.503 4.463 3.960 0.000 0.000 0.297 156 G HA3 0.503 4.463 3.960 0.000 0.000 0.297 156 G C -0.528 174.441 174.900 0.114 0.000 1.441 156 G CA -0.515 44.669 45.100 0.141 0.000 0.964 156 G HN 0.918 nan 8.290 nan 0.000 0.540 157 G N -0.255 108.595 108.800 0.083 0.000 2.611 157 G HA2 0.621 4.581 3.960 0.000 0.000 0.273 157 G HA3 0.621 4.581 3.960 0.000 0.000 0.273 157 G C 0.747 175.785 174.900 0.230 0.000 1.305 157 G CA 0.322 45.468 45.100 0.077 0.000 1.010 157 G HN 1.609 nan 8.290 nan 0.000 0.509 158 A N -0.953 122.051 122.820 0.307 0.000 2.476 158 A HA 0.519 4.839 4.320 0.000 0.000 0.275 158 A C 1.450 179.110 177.584 0.126 0.000 1.133 158 A CA 0.958 53.144 52.037 0.248 0.000 0.797 158 A CB -0.844 18.282 19.000 0.209 0.000 1.081 158 A HN 2.545 nan 8.150 nan 0.000 0.510 159 G N 1.162 110.019 108.800 0.096 0.000 2.198 159 G HA2 -0.138 3.822 3.960 0.000 0.000 0.257 159 G HA3 -0.138 3.822 3.960 0.000 0.000 0.257 159 G C 0.644 175.592 174.900 0.080 0.000 1.042 159 G CA 0.753 45.890 45.100 0.061 0.000 0.791 159 G HN 2.150 nan 8.290 nan 0.000 0.502 160 V N -3.794 116.185 119.914 0.108 0.000 3.471 160 V HA 0.678 4.798 4.120 0.000 0.000 0.258 160 V C 1.592 177.791 176.094 0.174 0.000 1.192 160 V CA 1.282 63.665 62.300 0.138 0.000 1.116 160 V CB 0.527 32.416 31.823 0.110 0.000 0.792 160 V HN 2.184 nan 8.190 nan 0.000 0.459 161 G N 0.568 109.443 108.800 0.125 0.000 2.192 161 G HA2 -0.124 3.836 3.960 0.000 0.000 0.152 161 G HA3 -0.124 3.836 3.960 0.000 0.000 0.152 161 G C 0.345 175.330 174.900 0.142 0.000 1.057 161 G CA 0.131 45.297 45.100 0.110 0.000 0.748 161 G HN 0.428 nan 8.290 nan 0.000 0.488 162 K N -0.185 120.296 120.400 0.134 0.000 2.001 162 K HA -0.033 4.287 4.320 0.000 0.000 0.208 162 K C 2.575 179.266 176.600 0.152 0.000 1.048 162 K CA 1.896 58.268 56.287 0.140 0.000 0.932 162 K CB -0.317 32.254 32.500 0.117 0.000 0.715 162 K HN 0.259 nan 8.250 nan 0.000 0.437 163 T N 1.516 116.153 114.554 0.139 0.000 2.652 163 T HA -0.146 4.204 4.350 0.000 0.000 0.267 163 T C 2.117 176.914 174.700 0.161 0.000 1.039 163 T CA 1.411 63.603 62.100 0.154 0.000 1.153 163 T CB -0.424 68.526 68.868 0.138 0.000 0.863 163 T HN -0.062 nan 8.240 nan 0.000 0.428 164 V N 1.531 121.541 119.914 0.159 0.000 2.282 164 V HA -0.156 3.964 4.120 0.000 0.000 0.249 164 V C 2.443 178.715 176.094 0.297 0.000 1.057 164 V CA 1.606 64.033 62.300 0.212 0.000 1.032 164 V CB -0.700 31.223 31.823 0.167 0.000 0.645 164 V HN 0.333 nan 8.190 nan 0.000 0.447 165 L N -0.314 121.100 121.223 0.319 0.000 2.042 165 L HA -0.169 4.172 4.340 0.000 0.000 0.210 165 L C 2.110 179.105 176.870 0.207 0.000 1.076 165 L CA 1.984 57.041 54.840 0.362 0.000 0.749 165 L CB -0.540 41.723 42.059 0.341 0.000 0.893 165 L HN 0.295 nan 8.230 nan 0.000 0.432 166 I N -1.545 119.137 120.570 0.187 0.000 2.439 166 I HA -0.244 3.926 4.170 0.000 0.000 0.251 166 I C 1.993 178.151 176.117 0.068 0.000 1.139 166 I CA 0.649 62.051 61.300 0.171 0.000 1.438 166 I CB 0.069 38.201 38.000 0.219 0.000 1.085 166 I HN 0.283 nan 8.210 nan 0.000 0.427 167 M N -0.021 119.613 119.600 0.056 0.000 2.229 167 M HA -0.197 4.283 4.480 0.000 0.000 0.264 167 M C 2.071 178.334 176.300 -0.061 0.000 1.063 167 M CA 1.530 56.815 55.300 -0.024 0.000 1.114 167 M CB -1.321 31.291 32.600 0.020 0.000 1.387 167 M HN 0.193 nan 8.290 nan 0.000 0.420 168 E N 0.658 120.824 120.200 -0.057 0.000 2.072 168 E HA -0.068 4.282 4.350 0.000 0.000 0.190 168 E C 2.018 178.519 176.600 -0.165 0.000 0.982 168 E CA 1.016 57.290 56.400 -0.210 0.000 0.803 168 E CB -0.268 29.070 29.700 -0.603 0.000 0.755 168 E HN 0.481 nan 8.360 nan 0.000 0.453 169 L N 0.106 121.292 121.223 -0.062 0.000 2.131 169 L HA -0.128 4.212 4.340 0.000 0.000 0.210 169 L C 2.414 179.294 176.870 0.016 0.000 1.092 169 L CA 0.840 55.710 54.840 0.050 0.000 0.759 169 L CB -0.337 41.855 42.059 0.221 0.000 0.903 169 L HN 0.210 nan 8.230 nan 0.000 0.435 170 I N -0.192 120.287 120.570 -0.152 0.000 2.252 170 I HA -0.286 3.884 4.170 0.000 0.000 0.245 170 I C 2.319 178.348 176.117 -0.147 0.000 1.102 170 I CA 1.315 62.428 61.300 -0.312 0.000 1.385 170 I CB -0.186 37.520 38.000 -0.490 0.000 1.064 170 I HN 0.314 nan 8.210 nan 0.000 0.414 171 N N 0.972 119.601 118.700 -0.118 0.000 2.039 171 N HA -0.195 4.545 4.740 0.000 0.000 0.193 171 N C 1.567 177.041 175.510 -0.059 0.000 1.044 171 N CA 1.731 54.729 53.050 -0.086 0.000 0.847 171 N CB -0.054 38.377 38.487 -0.092 0.000 1.030 171 N HN 0.155 nan 8.380 nan 0.000 0.422 172 N N -0.808 117.851 118.700 -0.068 0.000 2.331 172 N HA -0.045 4.695 4.740 0.000 0.000 0.180 172 N C 1.144 176.656 175.510 0.002 0.000 1.019 172 N CA 0.747 53.769 53.050 -0.046 0.000 0.881 172 N CB 0.145 38.583 38.487 -0.082 0.000 0.972 172 N HN 0.188 nan 8.380 nan 0.000 0.435 173 V N -0.720 119.212 119.914 0.031 0.000 3.307 173 V HA 0.298 4.418 4.120 0.000 0.000 0.244 173 V C 1.902 178.058 176.094 0.103 0.000 1.196 173 V CA 0.842 63.190 62.300 0.080 0.000 1.132 173 V CB -0.007 31.892 31.823 0.127 0.000 0.875 173 V HN 0.159 nan 8.190 nan 0.000 0.468 174 A N 0.310 123.183 122.820 0.088 0.000 2.030 174 A HA 0.018 4.338 4.320 0.000 0.000 0.215 174 A C 2.156 179.809 177.584 0.116 0.000 1.164 174 A CA 0.898 53.005 52.037 0.117 0.000 0.697 174 A CB -0.150 18.887 19.000 0.062 0.000 0.827 174 A HN 0.463 nan 8.150 nan 0.000 0.457 175 K N 0.248 120.683 120.400 0.059 0.000 2.002 175 K HA -0.031 4.289 4.320 0.000 0.000 0.209 175 K C 1.652 178.291 176.600 0.064 0.000 1.048 175 K CA 1.277 57.591 56.287 0.046 0.000 0.930 175 K CB -0.322 32.185 32.500 0.012 0.000 0.714 175 K HN 0.341 nan 8.250 nan 0.000 0.438 176 A N 1.869 124.730 122.820 0.067 0.000 2.281 176 A HA -0.038 4.282 4.320 0.000 0.000 0.231 176 A C -0.224 177.422 177.584 0.104 0.000 1.317 176 A CA 0.113 52.188 52.037 0.062 0.000 0.959 176 A CB -0.870 18.158 19.000 0.046 0.000 0.900 176 A HN 0.289 nan 8.150 nan 0.000 0.497 177 H N -1.829 117.248 119.070 0.012 0.000 2.457 177 H HA 0.529 5.086 4.556 0.000 0.000 0.335 177 H C 1.252 176.562 175.328 -0.029 0.000 1.115 177 H CA 0.120 56.170 56.048 0.004 0.000 1.219 177 H CB 1.431 31.215 29.762 0.036 0.000 1.471 177 H HN 0.033 nan 8.280 nan 0.000 0.491 178 G N 2.628 111.082 108.800 -0.577 0.000 2.539 178 G HA2 0.075 4.035 3.960 0.000 0.000 0.215 178 G HA3 0.075 4.035 3.960 0.000 0.000 0.215 178 G C 0.929 175.446 174.900 -0.638 0.000 1.141 178 G CA 0.418 45.237 45.100 -0.468 0.000 0.806 178 G HN 0.759 nan 8.290 nan 0.000 0.533 179 G N -0.790 107.338 108.800 -1.120 0.000 2.928 179 G HA2 0.488 4.448 3.960 0.000 0.000 0.163 179 G HA3 0.488 4.448 3.960 0.000 0.000 0.163 179 G C -0.785 173.816 174.900 -0.500 0.000 1.573 179 G CA -0.770 43.874 45.100 -0.761 0.000 1.084 179 G HN 0.227 nan 8.290 nan 0.000 0.569 180 Y N -1.060 119.248 120.300 0.013 0.000 2.524 180 Y HA 0.577 5.128 4.550 0.000 0.000 0.344 180 Y C 0.182 176.115 175.900 0.054 0.000 1.012 180 Y CA -0.884 57.158 58.100 -0.097 0.000 1.068 180 Y CB 2.596 40.691 38.460 -0.608 0.000 1.249 180 Y HN 0.292 nan 8.280 nan 0.000 0.468 181 S N 1.371 117.229 115.700 0.264 0.000 2.532 181 S HA 0.685 5.155 4.470 0.000 0.000 0.301 181 S C -1.139 173.611 174.600 0.250 0.000 1.083 181 S CA -0.744 57.611 58.200 0.258 0.000 1.025 181 S CB 1.893 65.296 63.200 0.338 0.000 1.056 181 S HN 0.322 nan 8.310 nan 0.000 0.494 182 V N 3.030 123.103 119.914 0.266 0.000 2.531 182 V HA 0.502 4.622 4.120 0.000 0.000 0.301 182 V C -1.316 174.964 176.094 0.310 0.000 1.034 182 V CA -0.643 61.802 62.300 0.242 0.000 0.865 182 V CB 1.469 33.392 31.823 0.166 0.000 0.995 182 V HN 0.853 nan 8.190 nan 0.000 0.424 183 F N 4.455 124.490 119.950 0.143 0.000 2.402 183 F HA 0.780 5.307 4.527 0.000 0.000 0.355 183 F C 0.316 176.064 175.800 -0.087 0.000 1.123 183 F CA -0.499 57.552 58.000 0.086 0.000 1.021 183 F CB 1.185 40.222 39.000 0.061 0.000 1.160 183 F HN 0.547 nan 8.300 nan 0.000 0.451 184 A N 4.417 126.910 122.820 -0.545 0.000 2.260 184 A HA 0.627 4.948 4.320 0.000 0.000 0.314 184 A C 0.090 177.248 177.584 -0.710 0.000 1.257 184 A CA -0.334 51.417 52.037 -0.476 0.000 0.871 184 A CB 0.324 19.131 19.000 -0.321 0.000 1.166 184 A HN 0.996 nan 8.150 nan 0.000 0.522 185 G N 1.544 109.943 108.800 -0.668 0.000 2.457 185 G HA2 0.490 4.450 3.960 0.000 0.000 0.316 185 G HA3 0.490 4.450 3.960 0.000 0.000 0.316 185 G C -0.609 174.183 174.900 -0.179 0.000 1.030 185 G CA -0.144 44.687 45.100 -0.448 0.000 1.073 185 G HN 0.660 nan 8.290 nan 0.000 0.430 186 V N 2.922 122.770 119.914 -0.109 0.000 2.311 186 V HA 0.547 4.668 4.120 0.000 0.000 0.275 186 V C 1.244 177.352 176.094 0.022 0.000 1.022 186 V CA 0.432 62.708 62.300 -0.039 0.000 0.830 186 V CB 0.706 32.497 31.823 -0.053 0.000 1.012 186 V HN 1.251 nan 8.190 nan 0.000 0.452 187 G N 3.551 112.377 108.800 0.043 0.000 2.203 187 G HA2 -0.204 3.756 3.960 0.000 0.000 0.263 187 G HA3 -0.204 3.756 3.960 0.000 0.000 0.263 187 G C 0.265 175.206 174.900 0.068 0.000 1.012 187 G CA 0.536 45.666 45.100 0.050 0.000 0.749 187 G HN 0.577 nan 8.290 nan 0.000 0.512 188 E N -0.594 119.665 120.200 0.099 0.000 3.232 188 E HA 0.453 4.803 4.350 0.000 0.000 0.248 188 E C 0.930 177.602 176.600 0.120 0.000 1.048 188 E CA -0.916 55.548 56.400 0.107 0.000 1.204 188 E CB 0.376 30.157 29.700 0.134 0.000 1.535 188 E HN 0.362 nan 8.360 nan 0.000 0.567 189 R N 0.458 121.030 120.500 0.120 0.000 2.316 189 R HA 0.175 4.515 4.340 0.000 0.000 0.314 189 R C 1.142 177.503 176.300 0.102 0.000 1.069 189 R CA 0.072 56.228 56.100 0.093 0.000 0.959 189 R CB 0.315 30.660 30.300 0.075 0.000 0.987 189 R HN 0.395 nan 8.270 nan 0.000 0.446 190 T N 2.287 116.880 114.554 0.064 0.000 2.759 190 T HA -0.213 4.137 4.350 0.000 0.000 0.269 190 T C 1.780 176.470 174.700 -0.018 0.000 1.042 190 T CA 1.319 63.427 62.100 0.014 0.000 1.140 190 T CB -0.139 68.728 68.868 -0.001 0.000 0.864 190 T HN 0.547 nan 8.240 nan 0.000 0.455 191 R N 0.975 121.481 120.500 0.011 0.000 2.119 191 R HA -0.186 4.154 4.340 0.000 0.000 0.246 191 R C 2.167 178.477 176.300 0.017 0.000 1.146 191 R CA 1.939 58.047 56.100 0.013 0.000 0.962 191 R CB -0.165 30.152 30.300 0.028 0.000 0.863 191 R HN 0.508 nan 8.270 nan 0.000 0.442 192 E N -1.404 118.822 120.200 0.044 0.000 2.204 192 E HA -0.090 4.260 4.350 0.000 0.000 0.194 192 E C 1.782 178.394 176.600 0.020 0.000 0.989 192 E CA 0.934 57.369 56.400 0.059 0.000 0.824 192 E CB -0.041 29.727 29.700 0.115 0.000 0.756 192 E HN 0.591 nan 8.360 nan 0.000 0.477 193 G N 0.994 109.766 108.800 -0.047 0.000 2.395 193 G HA2 -0.298 3.662 3.960 0.000 0.000 0.214 193 G HA3 -0.298 3.662 3.960 0.000 0.000 0.214 193 G C 1.387 176.120 174.900 -0.279 0.000 1.177 193 G CA 0.790 45.687 45.100 -0.338 0.000 0.794 193 G HN 0.206 nan 8.290 nan 0.000 0.532 194 N N 0.644 119.244 118.700 -0.166 0.000 2.043 194 N HA -0.144 4.596 4.740 0.000 0.000 0.193 194 N C 1.788 177.366 175.510 0.114 0.000 1.037 194 N CA 1.760 54.815 53.050 0.008 0.000 0.851 194 N CB -0.181 38.335 38.487 0.048 0.000 1.027 194 N HN 0.096 nan 8.380 nan 0.000 0.422 195 D N -0.165 120.266 120.400 0.050 0.000 2.133 195 D HA -0.183 4.457 4.640 0.000 0.000 0.192 195 D C 1.824 178.135 176.300 0.018 0.000 1.001 195 D CA 0.866 54.891 54.000 0.042 0.000 0.844 195 D CB -0.458 40.353 40.800 0.018 0.000 0.944 195 D HN 0.279 nan 8.370 nan 0.000 0.447 196 L N -0.427 120.777 121.223 -0.032 0.000 2.109 196 L HA -0.121 4.220 4.340 0.000 0.000 0.207 196 L C 2.098 178.940 176.870 -0.047 0.000 1.086 196 L CA 1.426 56.211 54.840 -0.093 0.000 0.760 196 L CB -0.873 41.056 42.059 -0.216 0.000 0.910 196 L HN 0.066 nan 8.230 nan 0.000 0.437 197 Y N -0.434 119.760 120.300 -0.177 0.000 2.145 197 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 197 Y C 2.687 178.437 175.900 -0.250 0.000 1.145 197 Y CA 2.162 60.120 58.100 -0.237 0.000 1.148 197 Y CB -0.377 37.877 38.460 -0.344 0.000 0.981 197 Y HN 0.361 nan 8.280 nan 0.000 0.507 198 H N -0.407 118.593 119.070 -0.118 0.000 2.470 198 H HA -0.020 4.536 4.556 0.000 0.000 0.289 198 H C 1.890 177.126 175.328 -0.153 0.000 1.033 198 H CA 1.434 57.367 56.048 -0.192 0.000 1.331 198 H CB 0.036 29.745 29.762 -0.087 0.000 1.414 198 H HN 0.536 nan 8.280 nan 0.000 0.545 199 E N 0.149 120.341 120.200 -0.013 0.000 2.204 199 E HA -0.073 4.277 4.350 0.000 0.000 0.194 199 E C 1.900 178.451 176.600 -0.081 0.000 0.989 199 E CA 0.577 56.950 56.400 -0.047 0.000 0.824 199 E CB 0.161 29.832 29.700 -0.049 0.000 0.756 199 E HN 0.380 nan 8.360 nan 0.000 0.477 200 M N -0.350 119.180 119.600 -0.117 0.000 2.435 200 M HA 0.038 4.518 4.480 0.000 0.000 0.265 200 M C 1.971 178.190 176.300 -0.135 0.000 1.104 200 M CA 0.579 55.810 55.300 -0.114 0.000 1.140 200 M CB 0.191 32.731 32.600 -0.100 0.000 1.372 200 M HN 0.099 nan 8.290 nan 0.000 0.456 201 I N 0.430 120.870 120.570 -0.217 0.000 2.163 201 I HA -0.294 3.876 4.170 0.000 0.000 0.243 201 I C 2.473 178.524 176.117 -0.110 0.000 1.085 201 I CA 1.478 62.657 61.300 -0.202 0.000 1.347 201 I CB -0.425 37.399 38.000 -0.294 0.000 1.044 201 I HN 0.290 nan 8.210 nan 0.000 0.408 202 E N 1.428 121.576 120.200 -0.086 0.000 2.077 202 E HA -0.237 4.113 4.350 0.000 0.000 0.193 202 E C 2.148 178.718 176.600 -0.050 0.000 0.989 202 E CA 2.085 58.451 56.400 -0.056 0.000 0.800 202 E CB -0.245 29.428 29.700 -0.044 0.000 0.746 202 E HN 0.472 nan 8.360 nan 0.000 0.452 203 S N -1.658 114.009 115.700 -0.055 0.000 2.489 203 S HA 0.163 4.633 4.470 0.000 0.000 0.228 203 S C 1.775 176.353 174.600 -0.036 0.000 0.995 203 S CA 0.922 59.096 58.200 -0.044 0.000 0.934 203 S CB -0.086 63.086 63.200 -0.046 0.000 0.771 203 S HN 0.671 nan 8.310 nan 0.000 0.522 204 G N 0.606 109.379 108.800 -0.044 0.000 2.284 204 G HA2 -0.385 3.575 3.960 0.000 0.000 0.230 204 G HA3 -0.385 3.575 3.960 0.000 0.000 0.230 204 G C 1.099 175.983 174.900 -0.025 0.000 1.021 204 G CA 0.437 45.517 45.100 -0.034 0.000 0.619 204 G HN 1.390 nan 8.290 nan 0.000 0.510 205 V N -0.426 119.477 119.914 -0.019 0.000 2.546 205 V HA 0.193 4.313 4.120 0.000 0.000 0.254 205 V C 1.499 177.596 176.094 0.005 0.000 1.076 205 V CA 1.778 64.081 62.300 0.005 0.000 1.087 205 V CB -0.498 31.336 31.823 0.018 0.000 0.674 205 V HN 0.554 nan 8.190 nan 0.000 0.470 206 I N 1.903 122.454 120.570 -0.031 0.000 2.359 206 I HA 0.419 4.589 4.170 0.000 0.000 0.294 206 I C -0.231 175.850 176.117 -0.060 0.000 0.987 206 I CA -0.108 61.167 61.300 -0.041 0.000 1.225 206 I CB 1.291 39.242 38.000 -0.081 0.000 1.366 206 I HN 0.210 nan 8.210 nan 0.000 0.466 207 N N 6.395 125.075 118.700 -0.034 0.000 2.354 207 N HA 0.359 5.099 4.740 0.000 0.000 0.287 207 N C 0.144 175.638 175.510 -0.025 0.000 1.016 207 N CA -0.469 52.560 53.050 -0.034 0.000 0.871 207 N CB 2.244 40.722 38.487 -0.015 0.000 1.299 207 N HN 0.572 nan 8.380 nan 0.000 0.482 208 L N 2.167 123.370 121.223 -0.034 0.000 2.509 208 L HA 0.128 4.468 4.340 0.000 0.000 0.222 208 L C 1.580 178.450 176.870 -0.000 0.000 1.123 208 L CA 0.551 55.383 54.840 -0.013 0.000 0.856 208 L CB 0.076 42.123 42.059 -0.020 0.000 0.985 208 L HN 0.342 nan 8.230 nan 0.000 0.456 209 K N -0.367 120.031 120.400 -0.004 0.000 2.391 209 K HA 0.138 4.458 4.320 0.000 0.000 0.197 209 K C -0.090 176.512 176.600 0.004 0.000 1.087 209 K CA 0.322 56.609 56.287 0.001 0.000 1.012 209 K CB 0.616 33.115 32.500 -0.002 0.000 0.925 209 K HN 0.355 nan 8.250 nan 0.000 0.547 210 D N -1.526 118.876 120.400 0.004 0.000 2.798 210 D HA 0.293 4.933 4.640 0.000 0.000 0.308 210 D C -0.623 175.684 176.300 0.012 0.000 1.187 210 D CA -0.812 53.193 54.000 0.008 0.000 1.033 210 D CB 0.453 41.258 40.800 0.008 0.000 1.445 210 D HN -0.179 nan 8.370 nan 0.000 0.550 211 A N -0.489 122.341 122.820 0.017 0.000 2.684 211 A HA 0.348 4.668 4.320 0.000 0.000 0.288 211 A C 0.940 178.543 177.584 0.032 0.000 1.337 211 A CA 0.260 52.311 52.037 0.022 0.000 0.946 211 A CB -1.067 17.948 19.000 0.025 0.000 1.093 211 A HN 0.556 nan 8.150 nan 0.000 0.543 212 T N -2.378 112.193 114.554 0.028 0.000 3.107 212 T HA 0.122 4.472 4.350 0.000 0.000 0.249 212 T C 0.665 175.392 174.700 0.044 0.000 1.096 212 T CA 0.270 62.392 62.100 0.036 0.000 1.012 212 T CB -0.422 68.459 68.868 0.022 0.000 0.977 212 T HN 0.241 nan 8.240 nan 0.000 0.527 213 S N 1.845 117.566 115.700 0.036 0.000 2.549 213 S HA 0.216 4.686 4.470 0.000 0.000 0.286 213 S C 0.807 175.446 174.600 0.065 0.000 1.314 213 S CA -0.484 57.737 58.200 0.036 0.000 1.062 213 S CB 1.049 64.263 63.200 0.022 0.000 0.865 213 S HN 0.424 nan 8.310 nan 0.000 0.498 214 K N 0.610 121.065 120.400 0.091 0.000 2.402 214 K HA 0.280 4.600 4.320 0.000 0.000 0.204 214 K C -0.455 176.240 176.600 0.158 0.000 1.056 214 K CA 0.085 56.480 56.287 0.180 0.000 1.069 214 K CB 1.033 33.638 32.500 0.176 0.000 0.888 214 K HN 0.404 nan 8.250 nan 0.000 0.546 215 V N 0.885 120.859 119.914 0.100 0.000 2.623 215 V HA 0.636 4.756 4.120 0.000 0.000 0.304 215 V C -1.565 174.601 176.094 0.121 0.000 1.054 215 V CA -0.747 61.630 62.300 0.128 0.000 0.882 215 V CB 1.528 33.437 31.823 0.143 0.000 1.002 215 V HN 0.158 nan 8.190 nan 0.000 0.424 216 A N 7.279 130.190 122.820 0.151 0.000 2.303 216 A HA 0.900 5.220 4.320 0.000 0.000 0.317 216 A C -0.873 176.821 177.584 0.182 0.000 1.149 216 A CA -0.589 51.540 52.037 0.153 0.000 0.822 216 A CB 0.801 19.906 19.000 0.175 0.000 1.131 216 A HN 0.914 nan 8.150 nan 0.000 0.493 217 L N 1.938 123.265 121.223 0.173 0.000 2.365 217 L HA 0.678 5.018 4.340 0.000 0.000 0.273 217 L C -1.061 175.907 176.870 0.164 0.000 1.000 217 L CA -0.936 54.041 54.840 0.228 0.000 0.819 217 L CB 1.980 44.243 42.059 0.340 0.000 1.284 217 L HN 0.388 nan 8.230 nan 0.000 0.418 218 V N 2.524 122.495 119.914 0.094 0.000 2.525 218 V HA 0.444 4.564 4.120 0.000 0.000 0.299 218 V C -1.347 174.700 176.094 -0.079 0.000 1.034 218 V CA -0.596 61.723 62.300 0.031 0.000 0.863 218 V CB 1.791 33.596 31.823 -0.030 0.000 0.999 218 V HN 0.461 nan 8.190 nan 0.000 0.423 219 Y N 1.737 122.061 120.300 0.040 0.000 2.391 219 Y HA 0.750 5.300 4.550 0.000 0.000 0.341 219 Y C 0.589 176.503 175.900 0.024 0.000 0.965 219 Y CA -0.586 57.543 58.100 0.049 0.000 1.067 219 Y CB 2.758 41.243 38.460 0.041 0.000 1.199 219 Y HN 0.706 nan 8.280 nan 0.000 0.450 220 G N 4.127 113.017 108.800 0.150 0.000 3.598 220 G HA2 0.313 4.273 3.960 0.000 0.000 0.320 220 G HA3 0.313 4.273 3.960 0.000 0.000 0.320 220 G C -1.024 173.938 174.900 0.104 0.000 1.560 220 G CA -0.576 44.585 45.100 0.101 0.000 0.904 220 G HN 0.329 nan 8.290 nan 0.000 0.489 221 Q N 1.195 121.072 119.800 0.129 0.000 2.222 221 Q HA 0.264 4.604 4.340 0.000 0.000 0.211 221 Q C 1.955 177.997 176.000 0.069 0.000 1.013 221 Q CA -0.775 55.101 55.803 0.121 0.000 0.993 221 Q CB 0.980 29.805 28.738 0.145 0.000 1.151 221 Q HN 0.730 nan 8.270 nan 0.000 0.544 222 M N -0.245 119.391 119.600 0.061 0.000 2.700 222 M HA -0.056 4.424 4.480 0.000 0.000 0.249 222 M C 0.787 177.104 176.300 0.029 0.000 1.082 222 M CA 1.180 56.504 55.300 0.038 0.000 1.077 222 M CB -0.460 32.160 32.600 0.034 0.000 1.477 222 M HN 0.364 nan 8.290 nan 0.000 0.529 223 N N 0.633 119.352 118.700 0.032 0.000 2.461 223 N HA 0.007 4.747 4.740 0.000 0.000 0.188 223 N C -0.261 175.261 175.510 0.021 0.000 1.134 223 N CA 0.377 53.441 53.050 0.023 0.000 0.878 223 N CB -0.133 38.367 38.487 0.021 0.000 0.972 223 N HN 0.481 nan 8.380 nan 0.000 0.456 224 E N 1.741 121.956 120.200 0.024 0.000 2.248 224 E HA 0.354 4.704 4.350 0.000 0.000 0.272 224 E C -2.256 174.351 176.600 0.011 0.000 1.008 224 E CA -1.897 54.515 56.400 0.019 0.000 0.856 224 E CB 1.359 31.075 29.700 0.026 0.000 1.120 224 E HN 0.201 nan 8.360 nan 0.000 0.397 225 P HA 0.065 nan 4.420 nan 0.000 0.272 225 P C -2.011 175.284 177.300 -0.008 0.000 1.240 225 P CA -1.072 62.028 63.100 -0.001 0.000 0.791 225 P CB 0.271 31.971 31.700 0.001 0.000 0.978 226 P HA -0.218 nan 4.420 nan 0.000 0.214 226 P C 1.734 179.010 177.300 -0.040 0.000 1.163 226 P CA 2.110 65.186 63.100 -0.039 0.000 0.889 226 P CB -0.871 30.800 31.700 -0.048 0.000 0.790 227 G N 0.630 109.415 108.800 -0.026 0.000 2.556 227 G HA2 -0.342 3.619 3.960 0.000 0.000 0.220 227 G HA3 -0.342 3.619 3.960 0.000 0.000 0.220 227 G C 1.876 176.774 174.900 -0.003 0.000 1.156 227 G CA 1.771 46.861 45.100 -0.015 0.000 0.766 227 G HN 0.422 nan 8.290 nan 0.000 0.583 228 A N 0.521 123.343 122.820 0.004 0.000 1.902 228 A HA -0.039 4.281 4.320 0.000 0.000 0.217 228 A C 2.475 180.066 177.584 0.011 0.000 1.181 228 A CA 1.776 53.821 52.037 0.013 0.000 0.623 228 A CB -0.393 18.617 19.000 0.017 0.000 0.818 228 A HN 0.400 nan 8.150 nan 0.000 0.443 229 R N -0.721 119.777 120.500 -0.002 0.000 2.092 229 R HA 0.005 4.345 4.340 0.000 0.000 0.231 229 R C 2.212 178.510 176.300 -0.003 0.000 1.119 229 R CA 1.037 57.134 56.100 -0.004 0.000 0.970 229 R CB -0.365 29.923 30.300 -0.020 0.000 0.864 229 R HN 0.484 nan 8.270 nan 0.000 0.440 230 A N 0.593 123.388 122.820 -0.041 0.000 2.206 230 A HA -0.011 4.309 4.320 0.000 0.000 0.211 230 A C 1.659 179.284 177.584 0.069 0.000 1.158 230 A CA 0.783 52.772 52.037 -0.079 0.000 0.761 230 A CB 0.070 18.947 19.000 -0.205 0.000 0.801 230 A HN 0.055 nan 8.150 nan 0.000 0.473 231 R N -1.949 118.588 120.500 0.062 0.000 2.257 231 R HA 0.123 4.463 4.340 0.000 0.000 0.195 231 R C 1.813 178.127 176.300 0.023 0.000 0.921 231 R CA 0.881 57.016 56.100 0.059 0.000 1.069 231 R CB -1.277 29.050 30.300 0.046 0.000 1.115 231 R HN 0.314 nan 8.270 nan 0.000 0.571 232 V N 1.887 121.813 119.914 0.020 0.000 2.546 232 V HA -0.230 3.890 4.120 0.000 0.000 0.254 232 V C 2.088 178.155 176.094 -0.046 0.000 1.076 232 V CA 2.176 64.469 62.300 -0.010 0.000 1.087 232 V CB -0.435 31.387 31.823 -0.002 0.000 0.674 232 V HN 0.317 nan 8.190 nan 0.000 0.470 233 A N -0.574 122.227 122.820 -0.032 0.000 1.969 233 A HA -0.071 4.249 4.320 0.000 0.000 0.218 233 A C 2.080 179.581 177.584 -0.138 0.000 1.169 233 A CA 1.788 53.764 52.037 -0.103 0.000 0.635 233 A CB -0.401 18.528 19.000 -0.119 0.000 0.810 233 A HN 0.596 nan 8.150 nan 0.000 0.445 234 L N -1.002 120.152 121.223 -0.115 0.000 2.109 234 L HA -0.098 4.242 4.340 0.000 0.000 0.207 234 L C 2.686 179.483 176.870 -0.122 0.000 1.086 234 L CA 1.492 56.242 54.840 -0.150 0.000 0.760 234 L CB -1.120 40.821 42.059 -0.196 0.000 0.910 234 L HN 0.286 nan 8.230 nan 0.000 0.437 235 T N 0.203 114.702 114.554 -0.092 0.000 2.652 235 T HA -0.154 4.196 4.350 0.000 0.000 0.267 235 T C 1.927 176.582 174.700 -0.075 0.000 1.039 235 T CA 1.553 63.610 62.100 -0.072 0.000 1.153 235 T CB -0.699 68.141 68.868 -0.048 0.000 0.863 235 T HN 0.547 nan 8.240 nan 0.000 0.428 236 G N 1.859 110.609 108.800 -0.084 0.000 2.480 236 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 236 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 236 G C 1.548 176.402 174.900 -0.076 0.000 1.200 236 G CA 1.106 46.156 45.100 -0.084 0.000 0.782 236 G HN 0.446 nan 8.290 nan 0.000 0.554 237 L N 1.006 122.166 121.223 -0.104 0.000 2.051 237 L HA -0.103 4.237 4.340 0.000 0.000 0.214 237 L C 2.738 179.570 176.870 -0.063 0.000 1.076 237 L CA 2.956 57.737 54.840 -0.098 0.000 0.758 237 L CB -1.190 40.786 42.059 -0.138 0.000 0.890 237 L HN 0.207 nan 8.230 nan 0.000 0.433 238 T N -1.031 113.482 114.554 -0.068 0.000 2.788 238 T HA -0.132 4.218 4.350 0.000 0.000 0.268 238 T C 1.977 176.652 174.700 -0.041 0.000 1.044 238 T CA 1.490 63.560 62.100 -0.050 0.000 1.139 238 T CB -0.345 68.488 68.868 -0.058 0.000 0.867 238 T HN 0.242 nan 8.240 nan 0.000 0.454 239 V N 1.665 121.544 119.914 -0.059 0.000 2.307 239 V HA -0.156 3.964 4.120 0.000 0.000 0.245 239 V C 2.892 178.991 176.094 0.008 0.000 1.045 239 V CA 1.662 63.905 62.300 -0.094 0.000 1.024 239 V CB -1.209 30.579 31.823 -0.059 0.000 0.651 239 V HN 0.517 nan 8.190 nan 0.000 0.449 240 A N -0.446 122.428 122.820 0.090 0.000 1.917 240 A HA -0.304 4.017 4.320 0.000 0.000 0.219 240 A C 2.161 179.833 177.584 0.147 0.000 1.182 240 A CA 2.225 54.362 52.037 0.167 0.000 0.633 240 A CB -0.542 18.496 19.000 0.064 0.000 0.819 240 A HN 0.640 nan 8.150 nan 0.000 0.448 241 E N -1.750 118.488 120.200 0.062 0.000 2.051 241 E HA -0.231 4.119 4.350 0.000 0.000 0.192 241 E C 1.888 178.523 176.600 0.057 0.000 0.991 241 E CA 1.525 57.951 56.400 0.043 0.000 0.799 241 E CB -0.365 29.341 29.700 0.010 0.000 0.748 241 E HN 0.800 nan 8.360 nan 0.000 0.449 242 Y N 0.274 120.521 120.300 -0.088 0.000 2.151 242 Y HA -0.289 4.261 4.550 0.000 0.000 0.284 242 Y C 1.833 177.703 175.900 -0.050 0.000 1.166 242 Y CA 1.707 59.724 58.100 -0.138 0.000 1.163 242 Y CB -0.296 37.980 38.460 -0.306 0.000 0.974 242 Y HN 0.014 nan 8.280 nan 0.000 0.511 243 F N -0.325 119.763 119.950 0.231 0.000 2.206 243 F HA -0.122 4.405 4.527 0.000 0.000 0.298 243 F C 2.776 178.619 175.800 0.071 0.000 1.090 243 F CA 0.955 59.080 58.000 0.209 0.000 1.323 243 F CB -0.262 38.905 39.000 0.278 0.000 1.028 243 F HN -0.070 nan 8.300 nan 0.000 0.492 244 R N 0.614 121.249 120.500 0.225 0.000 2.073 244 R HA -0.164 4.176 4.340 0.000 0.000 0.234 244 R C 1.470 177.782 176.300 0.020 0.000 1.134 244 R CA 2.206 58.365 56.100 0.099 0.000 0.952 244 R CB -0.250 30.086 30.300 0.060 0.000 0.850 244 R HN 0.193 nan 8.270 nan 0.000 0.433 245 D N -0.194 120.180 120.400 -0.044 0.000 2.232 245 D HA -0.066 4.574 4.640 0.000 0.000 0.220 245 D C 1.778 177.984 176.300 -0.156 0.000 0.982 245 D CA 0.736 54.682 54.000 -0.091 0.000 0.892 245 D CB -0.369 40.373 40.800 -0.096 0.000 1.040 245 D HN 0.101 nan 8.370 nan 0.000 0.463 246 Q N 0.374 119.964 119.800 -0.349 0.000 2.515 246 Q HA 0.013 4.353 4.340 0.000 0.000 0.212 246 Q C 0.719 176.562 176.000 -0.262 0.000 0.970 246 Q CA 0.660 56.199 55.803 -0.441 0.000 0.941 246 Q CB 0.431 28.608 28.738 -0.934 0.000 0.998 246 Q HN 0.500 nan 8.270 nan 0.000 0.518 247 E N -2.027 118.108 120.200 -0.110 0.000 2.555 247 E HA 0.178 4.528 4.350 0.000 0.000 0.209 247 E C 0.729 177.345 176.600 0.027 0.000 0.847 247 E CA 0.438 56.859 56.400 0.036 0.000 1.438 247 E CB 1.042 30.866 29.700 0.207 0.000 1.420 247 E HN 0.288 nan 8.360 nan 0.000 0.755 248 G N 1.419 110.229 108.800 0.017 0.000 2.199 248 G HA2 -0.273 3.687 3.960 0.000 0.000 0.254 248 G HA3 -0.273 3.687 3.960 0.000 0.000 0.254 248 G C 0.378 175.288 174.900 0.016 0.000 0.982 248 G CA 0.427 45.531 45.100 0.006 0.000 0.632 248 G HN 0.110 nan 8.290 nan 0.000 0.529 249 Q N 0.822 120.642 119.800 0.034 0.000 2.414 249 Q HA 0.498 4.839 4.340 0.000 0.000 0.206 249 Q C -0.048 175.958 176.000 0.011 0.000 1.058 249 Q CA -0.177 55.617 55.803 -0.014 0.000 1.025 249 Q CB 0.223 28.902 28.738 -0.099 0.000 1.196 249 Q HN 0.320 nan 8.270 nan 0.000 0.586 250 D N -0.116 120.279 120.400 -0.008 0.000 2.338 250 D HA 0.195 4.835 4.640 0.000 0.000 0.255 250 D C -1.020 175.377 176.300 0.162 0.000 1.237 250 D CA 0.109 54.158 54.000 0.081 0.000 0.883 250 D CB 0.374 41.260 40.800 0.143 0.000 1.087 250 D HN 0.028 nan 8.370 nan 0.000 0.485 251 V N 4.072 124.046 119.914 0.100 0.000 2.435 251 V HA 0.322 4.442 4.120 0.000 0.000 0.290 251 V C 0.371 176.433 176.094 -0.052 0.000 1.030 251 V CA -0.835 61.519 62.300 0.090 0.000 0.881 251 V CB 1.352 33.247 31.823 0.119 0.000 0.983 251 V HN 0.358 nan 8.190 nan 0.000 0.445 252 L N 5.245 126.390 121.223 -0.130 0.000 2.343 252 L HA 0.610 4.950 4.340 0.000 0.000 0.275 252 L C -0.656 176.034 176.870 -0.301 0.000 1.056 252 L CA -0.610 54.030 54.840 -0.334 0.000 0.804 252 L CB 1.518 43.364 42.059 -0.355 0.000 1.203 252 L HN 0.441 nan 8.230 nan 0.000 0.440 253 L N 3.126 124.020 121.223 -0.548 0.000 2.439 253 L HA 0.564 4.904 4.340 0.000 0.000 0.270 253 L C -1.471 174.998 176.870 -0.667 0.000 0.972 253 L CA 0.027 54.624 54.840 -0.405 0.000 0.836 253 L CB 1.395 43.313 42.059 -0.234 0.000 1.255 253 L HN 0.206 nan 8.230 nan 0.000 0.404 254 F N 6.012 125.877 119.950 -0.142 0.000 2.467 254 F HA 0.646 5.173 4.527 0.000 0.000 0.336 254 F C -0.064 175.407 175.800 -0.548 0.000 1.123 254 F CA -0.575 57.286 58.000 -0.231 0.000 0.964 254 F CB 1.535 40.526 39.000 -0.015 0.000 1.136 254 F HN 0.209 nan 8.300 nan 0.000 0.447 255 I N 2.860 123.244 120.570 -0.310 0.000 2.439 255 I HA 0.270 4.440 4.170 0.000 0.000 0.283 255 I C -1.300 174.642 176.117 -0.291 0.000 1.023 255 I CA -0.454 60.605 61.300 -0.401 0.000 1.100 255 I CB 1.663 39.495 38.000 -0.280 0.000 1.238 255 I HN 0.438 nan 8.210 nan 0.000 0.445 256 D N 6.302 126.495 120.400 -0.346 0.000 2.471 256 D HA 0.277 4.917 4.640 0.000 0.000 0.245 256 D C -1.140 175.138 176.300 -0.038 0.000 1.116 256 D CA -0.236 53.719 54.000 -0.074 0.000 0.853 256 D CB 1.182 42.060 40.800 0.129 0.000 1.123 256 D HN 0.377 nan 8.370 nan 0.000 0.540 257 N N 4.356 123.059 118.700 0.006 0.000 2.296 257 N HA 0.156 4.896 4.740 0.000 0.000 0.294 257 N C 0.582 176.118 175.510 0.045 0.000 1.033 257 N CA -0.541 52.533 53.050 0.040 0.000 0.839 257 N CB 1.605 40.166 38.487 0.125 0.000 1.395 257 N HN 0.344 nan 8.380 nan 0.000 0.479 258 I N 4.151 124.722 120.570 0.002 0.000 2.361 258 I HA -0.109 4.061 4.170 0.000 0.000 0.251 258 I C 1.803 177.988 176.117 0.113 0.000 1.133 258 I CA 0.944 62.237 61.300 -0.011 0.000 1.413 258 I CB -0.580 37.349 38.000 -0.117 0.000 1.073 258 I HN 0.645 nan 8.210 nan 0.000 0.424 259 F N 1.931 121.914 119.950 0.055 0.000 2.085 259 F HA -0.326 4.201 4.527 0.000 0.000 0.299 259 F C 2.377 178.281 175.800 0.173 0.000 1.096 259 F CA 1.845 59.929 58.000 0.140 0.000 1.227 259 F CB -0.554 38.580 39.000 0.223 0.000 0.983 259 F HN 0.027 nan 8.300 nan 0.000 0.482 260 R N -0.027 120.443 120.500 -0.051 0.000 2.211 260 R HA -0.233 4.107 4.340 0.000 0.000 0.240 260 R C 2.196 178.395 176.300 -0.167 0.000 1.144 260 R CA 1.527 57.513 56.100 -0.190 0.000 0.992 260 R CB -1.864 28.438 30.300 0.002 0.000 0.869 260 R HN 0.545 nan 8.270 nan 0.000 0.462 261 F N 1.410 121.239 119.950 -0.202 0.000 2.134 261 F HA -0.177 4.350 4.527 0.000 0.000 0.299 261 F C 1.978 177.674 175.800 -0.174 0.000 1.097 261 F CA 1.642 59.548 58.000 -0.156 0.000 1.264 261 F CB -0.232 38.694 39.000 -0.123 0.000 1.001 261 F HN -0.121 nan 8.300 nan 0.000 0.479 262 T N 0.193 114.645 114.554 -0.170 0.000 2.770 262 T HA -0.206 4.144 4.350 0.000 0.000 0.263 262 T C 1.893 176.415 174.700 -0.296 0.000 1.039 262 T CA 1.421 63.391 62.100 -0.218 0.000 1.142 262 T CB -0.396 68.491 68.868 0.033 0.000 0.868 262 T HN 0.427 nan 8.240 nan 0.000 0.435 263 Q N 0.825 120.272 119.800 -0.589 0.000 2.061 263 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 263 Q C 2.497 178.344 176.000 -0.254 0.000 0.984 263 Q CA 1.747 57.275 55.803 -0.460 0.000 0.846 263 Q CB -0.356 27.977 28.738 -0.677 0.000 0.902 263 Q HN 0.516 nan 8.270 nan 0.000 0.421 264 A N 0.550 123.210 122.820 -0.265 0.000 1.892 264 A HA -0.190 4.130 4.320 0.000 0.000 0.218 264 A C 2.300 179.770 177.584 -0.190 0.000 1.188 264 A CA 1.950 53.872 52.037 -0.191 0.000 0.631 264 A CB -1.512 17.380 19.000 -0.179 0.000 0.822 264 A HN 0.638 nan 8.150 nan 0.000 0.447 265 G N -0.372 108.267 108.800 -0.268 0.000 2.422 265 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 265 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 265 G C 1.939 176.763 174.900 -0.126 0.000 1.146 265 G CA 1.787 46.749 45.100 -0.229 0.000 0.769 265 G HN 0.932 nan 8.290 nan 0.000 0.547 266 S N 0.390 116.029 115.700 -0.101 0.000 2.423 266 S HA -0.025 4.445 4.470 0.000 0.000 0.231 266 S C 1.913 176.466 174.600 -0.078 0.000 1.014 266 S CA 1.439 59.597 58.200 -0.070 0.000 0.965 266 S CB -0.240 62.900 63.200 -0.100 0.000 0.785 266 S HN 0.553 nan 8.310 nan 0.000 0.495 267 E N 0.779 120.928 120.200 -0.084 0.000 2.204 267 E HA -0.070 4.280 4.350 0.000 0.000 0.194 267 E C 1.921 178.492 176.600 -0.049 0.000 0.989 267 E CA 1.448 57.810 56.400 -0.063 0.000 0.824 267 E CB -0.142 29.522 29.700 -0.059 0.000 0.756 267 E HN 0.725 nan 8.360 nan 0.000 0.477 268 V N -2.787 117.094 119.914 -0.054 0.000 3.643 268 V HA 0.142 4.262 4.120 0.000 0.000 0.280 268 V C 1.956 178.030 176.094 -0.033 0.000 1.351 268 V CA 0.596 62.872 62.300 -0.040 0.000 1.073 268 V CB 0.747 32.544 31.823 -0.044 0.000 0.863 268 V HN 0.034 nan 8.190 nan 0.000 0.436 269 S N 1.718 117.396 115.700 -0.036 0.000 2.368 269 S HA -0.108 4.362 4.470 0.000 0.000 0.225 269 S C 2.131 176.723 174.600 -0.013 0.000 1.030 269 S CA 1.993 60.179 58.200 -0.023 0.000 0.999 269 S CB -0.341 62.850 63.200 -0.015 0.000 0.844 269 S HN 0.949 nan 8.310 nan 0.000 0.459 270 A N 1.042 123.853 122.820 -0.014 0.000 1.969 270 A HA 0.158 4.478 4.320 0.000 0.000 0.218 270 A C 2.125 179.706 177.584 -0.006 0.000 1.169 270 A CA 1.046 53.078 52.037 -0.008 0.000 0.635 270 A CB -0.569 18.425 19.000 -0.009 0.000 0.810 270 A HN 0.587 nan 8.150 nan 0.000 0.445 271 L N -0.719 120.499 121.223 -0.008 0.000 2.313 271 L HA 0.002 4.342 4.340 0.000 0.000 0.214 271 L C 1.917 178.786 176.870 -0.002 0.000 1.119 271 L CA 0.416 55.254 54.840 -0.004 0.000 0.809 271 L CB -0.315 41.740 42.059 -0.006 0.000 0.933 271 L HN 0.347 nan 8.230 nan 0.000 0.449 272 L N -0.135 121.085 121.223 -0.004 0.000 2.552 272 L HA 0.065 4.405 4.340 0.000 0.000 0.227 272 L C 1.363 178.235 176.870 0.002 0.000 1.146 272 L CA 0.643 55.482 54.840 -0.002 0.000 0.858 272 L CB -0.493 41.562 42.059 -0.008 0.000 0.969 272 L HN 0.508 nan 8.230 nan 0.000 0.451 273 G N 0.436 109.238 108.800 0.002 0.000 2.132 273 G HA2 -0.255 3.705 3.960 0.000 0.000 0.228 273 G HA3 -0.255 3.705 3.960 0.000 0.000 0.228 273 G C 0.060 174.964 174.900 0.006 0.000 1.000 273 G CA -0.316 44.787 45.100 0.005 0.000 0.693 273 G HN 0.251 nan 8.290 nan 0.000 0.515 274 R N -0.373 120.131 120.500 0.005 0.000 2.459 274 R HA 0.668 5.008 4.340 0.000 0.000 0.281 274 R C 1.072 177.379 176.300 0.011 0.000 1.050 274 R CA -0.559 55.547 56.100 0.009 0.000 1.055 274 R CB 0.575 30.882 30.300 0.011 0.000 1.045 274 R HN 0.324 nan 8.270 nan 0.000 0.495 275 I N 5.211 125.789 120.570 0.015 0.000 2.556 275 I HA 0.132 4.302 4.170 0.000 0.000 0.284 275 I C -1.583 174.548 176.117 0.024 0.000 1.114 275 I CA -1.581 59.729 61.300 0.017 0.000 1.418 275 I CB 0.744 38.755 38.000 0.017 0.000 1.394 275 I HN 0.371 nan 8.210 nan 0.000 0.552 276 P HA 0.101 nan 4.420 nan 0.000 0.275 276 P C -0.380 176.950 177.300 0.050 0.000 1.228 276 P CA -0.272 62.850 63.100 0.036 0.000 0.786 276 P CB 1.371 33.086 31.700 0.025 0.000 0.927 277 S N 1.247 116.992 115.700 0.076 0.000 2.632 277 S HA 0.545 5.015 4.470 0.000 0.000 0.267 277 S C 0.344 175.006 174.600 0.103 0.000 1.193 277 S CA -0.341 57.910 58.200 0.085 0.000 1.003 277 S CB -0.013 63.245 63.200 0.098 0.000 1.073 277 S HN 0.632 nan 8.310 nan 0.000 0.553 278 A N 0.143 123.027 122.820 0.107 0.000 2.448 278 A HA 0.396 4.716 4.320 0.000 0.000 0.239 278 A C 0.960 178.652 177.584 0.181 0.000 1.080 278 A CA 0.261 52.364 52.037 0.112 0.000 0.779 278 A CB -0.623 18.432 19.000 0.091 0.000 1.026 278 A HN 1.651 nan 8.150 nan 0.000 0.499 279 V N 0.244 120.243 119.914 0.143 0.000 3.883 279 V HA -0.287 3.833 4.120 0.000 0.000 0.217 279 V C 1.604 177.743 176.094 0.075 0.000 0.472 279 V CA 1.625 64.021 62.300 0.160 0.000 0.955 279 V CB -2.607 29.382 31.823 0.275 0.000 1.038 279 V HN 2.900 nan 8.190 nan 0.000 1.215 280 G N -2.347 106.475 108.800 0.037 0.000 2.160 280 G HA2 -0.336 3.624 3.960 0.000 0.000 0.251 280 G HA3 -0.336 3.624 3.960 0.000 0.000 0.251 280 G C -0.243 174.576 174.900 -0.135 0.000 1.008 280 G CA 0.582 45.645 45.100 -0.062 0.000 0.724 280 G HN 0.902 nan 8.290 nan 0.000 0.514 281 Y N 0.482 120.808 120.300 0.043 0.000 2.432 281 Y HA 0.508 5.059 4.550 0.000 0.000 0.322 281 Y C 1.203 177.114 175.900 0.020 0.000 1.246 281 Y CA -0.593 57.530 58.100 0.038 0.000 1.268 281 Y CB 0.672 39.167 38.460 0.058 0.000 1.276 281 Y HN 0.363 nan 8.280 nan 0.000 0.499 282 Q N 2.995 122.914 119.800 0.199 0.000 2.395 282 Q HA 0.065 4.405 4.340 0.000 0.000 0.271 282 Q C -2.296 173.766 176.000 0.104 0.000 1.026 282 Q CA -1.564 54.299 55.803 0.101 0.000 0.900 282 Q CB 0.787 29.559 28.738 0.057 0.000 1.266 282 Q HN 0.412 nan 8.270 nan 0.000 0.430 283 P HA -0.098 nan 4.420 nan 0.000 0.223 283 P C 0.780 178.110 177.300 0.049 0.000 1.151 283 P CA 1.347 64.482 63.100 0.057 0.000 0.787 283 P CB -0.028 31.697 31.700 0.040 0.000 0.788 284 T N -3.670 110.911 114.554 0.045 0.000 3.244 284 T HA 0.178 4.529 4.350 0.000 0.000 0.254 284 T C 1.455 176.187 174.700 0.054 0.000 1.024 284 T CA -0.388 61.738 62.100 0.043 0.000 0.920 284 T CB -0.960 67.927 68.868 0.031 0.000 1.042 284 T HN -0.036 nan 8.240 nan 0.000 0.572 285 L N 0.925 122.182 121.223 0.057 0.000 1.989 285 L HA -0.027 4.313 4.340 0.000 0.000 0.211 285 L C 2.758 179.674 176.870 0.077 0.000 1.071 285 L CA 1.956 56.829 54.840 0.055 0.000 0.749 285 L CB -0.684 41.380 42.059 0.010 0.000 0.890 285 L HN 0.412 nan 8.230 nan 0.000 0.431 286 A N -0.705 122.157 122.820 0.070 0.000 1.929 286 A HA -0.175 4.145 4.320 0.000 0.000 0.216 286 A C 2.332 179.983 177.584 0.112 0.000 1.176 286 A CA 1.958 54.053 52.037 0.097 0.000 0.628 286 A CB -1.055 17.992 19.000 0.079 0.000 0.816 286 A HN 0.649 nan 8.150 nan 0.000 0.444 287 T N -2.240 112.367 114.554 0.089 0.000 2.851 287 T HA -0.110 4.240 4.350 0.000 0.000 0.262 287 T C 1.378 176.140 174.700 0.104 0.000 1.043 287 T CA 1.353 63.505 62.100 0.086 0.000 1.140 287 T CB -0.521 68.385 68.868 0.063 0.000 0.872 287 T HN 0.295 nan 8.240 nan 0.000 0.446 288 D N 1.107 121.583 120.400 0.126 0.000 2.116 288 D HA -0.110 4.530 4.640 0.000 0.000 0.193 288 D C 1.974 178.436 176.300 0.270 0.000 0.998 288 D CA 1.265 55.393 54.000 0.213 0.000 0.836 288 D CB -0.472 40.440 40.800 0.187 0.000 0.951 288 D HN 0.406 nan 8.370 nan 0.000 0.449 289 M N 0.307 120.031 119.600 0.205 0.000 2.086 289 M HA -0.101 4.379 4.480 0.000 0.000 0.261 289 M C 2.068 178.297 176.300 -0.117 0.000 1.067 289 M CA 2.154 57.473 55.300 0.032 0.000 1.116 289 M CB -0.314 32.303 32.600 0.028 0.000 1.348 289 M HN 0.063 nan 8.290 nan 0.000 0.407 290 G N -0.663 108.162 108.800 0.040 0.000 2.480 290 G HA2 -0.314 3.647 3.960 0.000 0.000 0.216 290 G HA3 -0.314 3.647 3.960 0.000 0.000 0.216 290 G C 1.412 176.331 174.900 0.032 0.000 1.200 290 G CA 1.725 46.890 45.100 0.108 0.000 0.782 290 G HN 0.590 nan 8.290 nan 0.000 0.554 291 T N -1.931 112.643 114.554 0.033 0.000 3.007 291 T HA 0.014 4.364 4.350 0.000 0.000 0.270 291 T C 2.119 176.797 174.700 -0.036 0.000 1.107 291 T CA 1.599 63.712 62.100 0.022 0.000 1.118 291 T CB -0.070 68.832 68.868 0.056 0.000 0.889 291 T HN 0.171 nan 8.240 nan 0.000 0.506 292 M N 0.029 119.559 119.600 -0.118 0.000 2.276 292 M HA 0.103 4.584 4.480 0.000 0.000 0.262 292 M C 2.266 178.395 176.300 -0.285 0.000 1.098 292 M CA 1.146 56.283 55.300 -0.271 0.000 1.167 292 M CB -0.499 31.744 32.600 -0.595 0.000 1.337 292 M HN 0.157 nan 8.290 nan 0.000 0.446 293 Q N 0.712 120.311 119.800 -0.335 0.000 2.170 293 Q HA -0.148 4.192 4.340 0.000 0.000 0.203 293 Q C 1.683 177.608 176.000 -0.126 0.000 0.976 293 Q CA 1.249 56.858 55.803 -0.323 0.000 0.858 293 Q CB -0.324 28.019 28.738 -0.658 0.000 0.907 293 Q HN 0.553 nan 8.270 nan 0.000 0.433 294 E N 0.173 120.343 120.200 -0.050 0.000 2.347 294 E HA -0.091 4.259 4.350 0.000 0.000 0.196 294 E C 1.825 178.414 176.600 -0.017 0.000 1.008 294 E CA 0.346 56.755 56.400 0.015 0.000 0.852 294 E CB 0.033 29.764 29.700 0.052 0.000 0.783 294 E HN 0.316 nan 8.360 nan 0.000 0.505 295 R N 0.198 120.665 120.500 -0.056 0.000 2.119 295 R HA 0.108 4.448 4.340 0.000 0.000 0.222 295 R C 0.963 177.224 176.300 -0.065 0.000 1.088 295 R CA 0.294 56.361 56.100 -0.056 0.000 0.984 295 R CB 0.027 30.283 30.300 -0.074 0.000 0.884 295 R HN 0.075 nan 8.270 nan 0.000 0.447 296 I N 1.804 122.319 120.570 -0.092 0.000 2.372 296 I HA 0.024 4.194 4.170 0.000 0.000 0.298 296 I C 0.127 176.205 176.117 -0.066 0.000 1.137 296 I CA 0.458 61.700 61.300 -0.097 0.000 1.314 296 I CB 0.396 38.311 38.000 -0.142 0.000 1.444 296 I HN -0.014 nan 8.210 nan 0.000 0.541 297 T N 2.985 117.507 114.554 -0.052 0.000 2.831 297 T HA 0.198 4.548 4.350 0.000 0.000 0.333 297 T C -0.451 174.229 174.700 -0.032 0.000 1.684 297 T CA -0.469 61.610 62.100 -0.036 0.000 1.049 297 T CB 1.531 70.390 68.868 -0.014 0.000 1.518 297 T HN 0.382 nan 8.240 nan 0.000 0.491 298 T N 3.090 117.626 114.554 -0.029 0.000 2.913 298 T HA 0.624 4.974 4.350 0.000 0.000 0.297 298 T C 0.394 175.079 174.700 -0.024 0.000 1.029 298 T CA 0.055 62.140 62.100 -0.025 0.000 1.104 298 T CB 0.762 69.615 68.868 -0.025 0.000 0.964 298 T HN 0.917 nan 8.240 nan 0.000 0.532 299 T N -0.303 114.236 114.554 -0.024 0.000 2.716 299 T HA 0.477 4.827 4.350 0.000 0.000 0.286 299 T C 0.961 175.642 174.700 -0.033 0.000 1.052 299 T CA -1.026 61.055 62.100 -0.031 0.000 1.024 299 T CB 1.432 70.284 68.868 -0.026 0.000 1.349 299 T HN 0.366 nan 8.240 nan 0.000 0.525 300 K N 0.095 120.471 120.400 -0.040 0.000 2.147 300 K HA 0.020 4.340 4.320 0.000 0.000 0.205 300 K C 2.141 178.723 176.600 -0.029 0.000 1.049 300 K CA 1.082 57.346 56.287 -0.039 0.000 0.936 300 K CB -0.090 32.383 32.500 -0.046 0.000 0.722 300 K HN 0.460 nan 8.250 nan 0.000 0.446 301 K N -0.208 120.175 120.400 -0.027 0.000 2.217 301 K HA -0.009 4.311 4.320 0.000 0.000 0.202 301 K C 0.739 177.328 176.600 -0.018 0.000 1.051 301 K CA 0.744 57.016 56.287 -0.024 0.000 0.952 301 K CB 0.395 32.879 32.500 -0.028 0.000 0.736 301 K HN 0.204 nan 8.250 nan 0.000 0.453 302 G N -0.233 108.559 108.800 -0.014 0.000 2.519 302 G HA2 0.166 4.126 3.960 0.000 0.000 0.292 302 G HA3 0.166 4.126 3.960 0.000 0.000 0.292 302 G C -1.737 173.161 174.900 -0.002 0.000 1.507 302 G CA -0.659 44.440 45.100 -0.003 0.000 0.806 302 G HN -0.072 nan 8.290 nan 0.000 0.523 303 S N -0.004 115.698 115.700 0.004 0.000 2.442 303 S HA 0.717 5.187 4.470 0.000 0.000 0.297 303 S C -0.170 174.430 174.600 -0.001 0.000 1.131 303 S CA -0.699 57.499 58.200 -0.002 0.000 1.092 303 S CB 0.399 63.599 63.200 0.000 0.000 0.998 303 S HN 0.492 nan 8.310 nan 0.000 0.478 304 I N 4.554 125.111 120.570 -0.023 0.000 2.355 304 I HA 0.237 4.407 4.170 0.000 0.000 0.288 304 I C -0.008 176.055 176.117 -0.090 0.000 0.999 304 I CA -0.500 60.770 61.300 -0.049 0.000 1.163 304 I CB 1.947 39.916 38.000 -0.052 0.000 1.316 304 I HN 0.536 nan 8.210 nan 0.000 0.454 305 T N 4.683 119.158 114.554 -0.131 0.000 2.780 305 T HA 0.303 4.653 4.350 0.000 0.000 0.294 305 T C 0.072 174.603 174.700 -0.282 0.000 0.949 305 T CA -0.504 61.490 62.100 -0.176 0.000 1.074 305 T CB 0.669 69.431 68.868 -0.176 0.000 0.910 305 T HN 0.682 nan 8.240 nan 0.000 0.501 306 S N 2.138 117.677 115.700 -0.267 0.000 2.605 306 S HA 0.673 5.143 4.470 0.000 0.000 0.308 306 S C -0.683 173.719 174.600 -0.330 0.000 1.113 306 S CA -0.825 57.183 58.200 -0.319 0.000 1.049 306 S CB 1.251 64.312 63.200 -0.231 0.000 1.001 306 S HN 0.390 nan 8.310 nan 0.000 0.480 307 V N 3.491 123.173 119.914 -0.387 0.000 2.448 307 V HA 0.485 4.605 4.120 0.000 0.000 0.295 307 V C -0.542 175.433 176.094 -0.198 0.000 1.025 307 V CA -0.445 61.691 62.300 -0.274 0.000 0.859 307 V CB 1.489 33.219 31.823 -0.155 0.000 0.988 307 V HN 0.964 nan 8.190 nan 0.000 0.431 308 Q N 3.039 122.717 119.800 -0.204 0.000 2.327 308 Q HA 0.682 5.022 4.340 0.000 0.000 0.270 308 Q C -0.220 175.668 176.000 -0.187 0.000 1.022 308 Q CA -0.519 55.166 55.803 -0.196 0.000 0.773 308 Q CB 2.262 30.860 28.738 -0.234 0.000 1.251 308 Q HN 0.911 nan 8.270 nan 0.000 0.457 309 A N 3.769 126.524 122.820 -0.108 0.000 2.492 309 A HA 0.402 4.722 4.320 0.000 0.000 0.254 309 A C -0.370 177.151 177.584 -0.105 0.000 1.091 309 A CA 0.126 52.120 52.037 -0.071 0.000 0.768 309 A CB -0.119 18.894 19.000 0.022 0.000 1.028 309 A HN 0.738 nan 8.150 nan 0.000 0.498 310 I N 3.154 123.618 120.570 -0.176 0.000 2.439 310 I HA 0.186 4.356 4.170 0.000 0.000 0.283 310 I C -0.631 175.469 176.117 -0.027 0.000 1.023 310 I CA -0.476 60.706 61.300 -0.196 0.000 1.100 310 I CB 1.231 38.823 38.000 -0.681 0.000 1.238 310 I HN 0.713 nan 8.210 nan 0.000 0.445 311 Y N 7.255 127.528 120.300 -0.046 0.000 2.346 311 Y HA 0.486 5.036 4.550 0.000 0.000 0.330 311 Y C -0.361 175.391 175.900 -0.246 0.000 1.178 311 Y CA -0.502 57.510 58.100 -0.146 0.000 1.331 311 Y CB 1.098 39.436 38.460 -0.203 0.000 1.253 311 Y HN 0.271 nan 8.280 nan 0.000 0.529 312 V N 8.707 128.097 119.914 -0.873 0.000 2.266 312 V HA 0.292 4.412 4.120 0.000 0.000 0.271 312 V C -2.287 173.188 176.094 -1.032 0.000 1.032 312 V CA -2.070 59.831 62.300 -0.665 0.000 0.806 312 V CB 0.562 32.249 31.823 -0.227 0.000 1.052 312 V HN 0.726 nan 8.190 nan 0.000 0.449 313 P HA 0.010 nan 4.420 nan 0.000 0.266 313 P C 0.829 177.955 177.300 -0.290 0.000 1.186 313 P CA 0.771 63.459 63.100 -0.687 0.000 0.767 313 P CB 0.550 32.083 31.700 -0.278 0.000 0.820 314 A N 2.862 125.612 122.820 -0.117 0.000 2.681 314 A HA -0.280 4.040 4.320 0.000 0.000 0.311 314 A C 0.898 178.447 177.584 -0.059 0.000 1.522 314 A CA 1.522 53.536 52.037 -0.039 0.000 0.910 314 A CB -2.369 16.626 19.000 -0.007 0.000 0.965 314 A HN 0.674 nan 8.150 nan 0.000 0.468 315 D N -2.155 118.180 120.400 -0.109 0.000 3.077 315 D HA -0.192 4.449 4.640 0.000 0.000 0.217 315 D C -0.152 176.114 176.300 -0.056 0.000 1.162 315 D CA 2.205 56.160 54.000 -0.074 0.000 0.943 315 D CB -1.161 39.626 40.800 -0.022 0.000 1.122 315 D HN 1.013 nan 8.370 nan 0.000 0.413 316 D N 0.104 120.464 120.400 -0.066 0.000 2.373 316 D HA 0.271 4.911 4.640 0.000 0.000 0.227 316 D C 1.223 177.510 176.300 -0.021 0.000 1.091 316 D CA -0.458 53.523 54.000 -0.032 0.000 0.840 316 D CB 0.484 41.274 40.800 -0.016 0.000 1.060 316 D HN 0.061 nan 8.370 nan 0.000 0.502 317 L N 2.792 124.016 121.223 0.001 0.000 2.465 317 L HA -0.024 4.316 4.340 0.000 0.000 0.224 317 L C 2.261 179.168 176.870 0.061 0.000 1.145 317 L CA 1.184 56.055 54.840 0.052 0.000 0.834 317 L CB -0.318 41.773 42.059 0.052 0.000 0.944 317 L HN 0.559 nan 8.230 nan 0.000 0.451 318 T N -4.481 110.083 114.554 0.016 0.000 3.113 318 T HA -0.084 4.266 4.350 0.000 0.000 0.256 318 T C 0.816 175.536 174.700 0.033 0.000 1.131 318 T CA -0.345 61.762 62.100 0.012 0.000 1.074 318 T CB -0.333 68.531 68.868 -0.007 0.000 0.944 318 T HN 0.203 nan 8.240 nan 0.000 0.516 319 D N 2.819 123.243 120.400 0.041 0.000 2.472 319 D HA 0.030 4.670 4.640 0.000 0.000 0.248 319 D C -1.293 175.019 176.300 0.020 0.000 1.174 319 D CA -1.418 52.617 54.000 0.059 0.000 0.883 319 D CB 1.348 42.181 40.800 0.055 0.000 1.149 319 D HN 0.018 nan 8.370 nan 0.000 0.488 320 P HA -0.321 nan 4.420 nan 0.000 0.227 320 P C 0.903 178.086 177.300 -0.195 0.000 1.141 320 P CA 2.762 65.757 63.100 -0.175 0.000 0.964 320 P CB 0.049 31.504 31.700 -0.408 0.000 0.784 321 A N -0.733 121.905 122.820 -0.303 0.000 1.828 321 A HA -0.134 4.186 4.320 0.000 0.000 0.215 321 A C -0.049 177.601 177.584 0.108 0.000 1.203 321 A CA 2.836 54.836 52.037 -0.061 0.000 0.614 321 A CB -2.286 16.847 19.000 0.222 0.000 0.844 321 A HN 0.230 nan 8.150 nan 0.000 0.445 322 P HA -0.139 nan 4.420 nan 0.000 0.218 322 P C 1.560 179.037 177.300 0.295 0.000 1.148 322 P CA 2.027 65.257 63.100 0.217 0.000 0.822 322 P CB -0.222 31.590 31.700 0.186 0.000 0.784 323 A N 0.057 123.036 122.820 0.265 0.000 1.902 323 A HA -0.141 4.180 4.320 0.000 0.000 0.217 323 A C 2.215 179.986 177.584 0.311 0.000 1.181 323 A CA 2.361 54.594 52.037 0.326 0.000 0.623 323 A CB -1.958 17.120 19.000 0.131 0.000 0.818 323 A HN 0.215 nan 8.150 nan 0.000 0.443 324 T N -0.217 114.452 114.554 0.191 0.000 3.113 324 T HA -0.024 4.326 4.350 0.000 0.000 0.263 324 T C 1.547 176.416 174.700 0.280 0.000 1.143 324 T CA 1.536 63.746 62.100 0.184 0.000 1.090 324 T CB -0.265 68.672 68.868 0.115 0.000 0.922 324 T HN 0.551 nan 8.240 nan 0.000 0.521 325 T N 1.071 115.800 114.554 0.291 0.000 3.035 325 T HA 0.175 4.525 4.350 0.000 0.000 0.259 325 T C 1.429 176.336 174.700 0.344 0.000 1.078 325 T CA 0.191 62.459 62.100 0.281 0.000 1.132 325 T CB -0.298 68.638 68.868 0.113 0.000 0.900 325 T HN 0.327 nan 8.240 nan 0.000 0.480 326 F N 2.115 122.251 119.950 0.309 0.000 2.161 326 F HA -0.056 4.471 4.527 0.000 0.000 0.300 326 F C 2.607 178.488 175.800 0.136 0.000 1.089 326 F CA 1.050 59.192 58.000 0.238 0.000 1.282 326 F CB -0.339 38.654 39.000 -0.010 0.000 1.010 326 F HN 0.148 nan 8.300 nan 0.000 0.485 327 A N -1.606 121.357 122.820 0.239 0.000 2.168 327 A HA -0.122 4.198 4.320 0.000 0.000 0.215 327 A C 1.422 178.969 177.584 -0.063 0.000 1.152 327 A CA 0.891 52.951 52.037 0.038 0.000 0.716 327 A CB -0.893 18.064 19.000 -0.072 0.000 0.794 327 A HN 0.448 nan 8.150 nan 0.000 0.465 328 H N -0.751 118.372 119.070 0.088 0.000 2.555 328 H HA 0.338 4.894 4.556 0.000 0.000 0.283 328 H C -0.371 174.970 175.328 0.022 0.000 1.037 328 H CA 0.263 56.332 56.048 0.035 0.000 1.169 328 H CB -0.104 29.658 29.762 0.000 0.000 1.375 328 H HN 0.338 nan 8.280 nan 0.000 0.582 329 L N -0.053 121.253 121.223 0.138 0.000 2.341 329 L HA 0.240 4.580 4.340 0.000 0.000 0.267 329 L C 0.584 177.504 176.870 0.082 0.000 1.009 329 L CA -0.657 54.242 54.840 0.099 0.000 0.819 329 L CB 2.107 44.251 42.059 0.141 0.000 1.323 329 L HN -0.112 nan 8.230 nan 0.000 0.425 330 D N 0.617 121.047 120.400 0.051 0.000 2.380 330 D HA 0.239 4.879 4.640 0.000 0.000 0.212 330 D C 0.200 176.548 176.300 0.080 0.000 1.021 330 D CA 0.517 54.550 54.000 0.055 0.000 0.884 330 D CB 1.155 41.974 40.800 0.032 0.000 1.001 330 D HN 0.504 nan 8.370 nan 0.000 0.506 331 A N 0.491 123.357 122.820 0.077 0.000 2.486 331 A HA 0.605 4.925 4.320 0.000 0.000 0.300 331 A C -0.533 177.146 177.584 0.157 0.000 1.048 331 A CA -0.600 51.520 52.037 0.139 0.000 0.696 331 A CB 1.538 20.668 19.000 0.217 0.000 1.278 331 A HN -0.025 nan 8.150 nan 0.000 0.405 332 T N -0.700 114.001 114.554 0.244 0.000 2.812 332 T HA 0.683 5.033 4.350 0.000 0.000 0.282 332 T C -0.560 174.338 174.700 0.330 0.000 0.990 332 T CA -0.494 61.805 62.100 0.332 0.000 0.960 332 T CB 1.287 70.395 68.868 0.400 0.000 0.948 332 T HN 0.478 nan 8.240 nan 0.000 0.438 333 T N 3.260 118.024 114.554 0.349 0.000 2.893 333 T HA 0.445 4.795 4.350 0.000 0.000 0.324 333 T C -0.034 174.862 174.700 0.326 0.000 1.082 333 T CA -0.544 61.748 62.100 0.319 0.000 0.983 333 T CB 0.655 69.733 68.868 0.349 0.000 1.005 333 T HN 0.639 nan 8.240 nan 0.000 0.475 334 V N 5.428 125.512 119.914 0.282 0.000 2.406 334 V HA 0.339 4.459 4.120 0.000 0.000 0.272 334 V C -0.095 176.109 176.094 0.182 0.000 1.043 334 V CA -0.799 61.657 62.300 0.260 0.000 0.915 334 V CB 0.642 32.572 31.823 0.177 0.000 0.988 334 V HN 0.589 nan 8.190 nan 0.000 0.466 335 L N 4.066 125.396 121.223 0.177 0.000 2.399 335 L HA 0.682 5.022 4.340 0.000 0.000 0.265 335 L C 0.325 177.251 176.870 0.094 0.000 1.089 335 L CA 0.414 55.331 54.840 0.129 0.000 0.802 335 L CB 1.602 43.744 42.059 0.139 0.000 1.180 335 L HN 0.710 nan 8.230 nan 0.000 0.454 336 S N 0.157 115.892 115.700 0.057 0.000 2.548 336 S HA 0.439 4.909 4.470 0.000 0.000 0.276 336 S C 0.665 175.269 174.600 0.007 0.000 1.129 336 S CA -0.672 57.546 58.200 0.031 0.000 0.931 336 S CB 1.292 64.502 63.200 0.017 0.000 1.068 336 S HN 0.671 nan 8.310 nan 0.000 0.480 337 R N 2.695 123.200 120.500 0.009 0.000 2.115 337 R HA 0.022 4.362 4.340 0.000 0.000 0.230 337 R C 2.065 178.348 176.300 -0.028 0.000 1.111 337 R CA 1.598 57.697 56.100 -0.002 0.000 0.976 337 R CB -0.542 29.766 30.300 0.013 0.000 0.870 337 R HN 0.752 nan 8.270 nan 0.000 0.445 338 A N 0.814 123.619 122.820 -0.024 0.000 1.933 338 A HA -0.128 4.192 4.320 0.000 0.000 0.218 338 A C 2.031 179.585 177.584 -0.050 0.000 1.175 338 A CA 1.223 53.241 52.037 -0.032 0.000 0.628 338 A CB -0.347 18.638 19.000 -0.024 0.000 0.814 338 A HN 0.326 nan 8.150 nan 0.000 0.444 339 I N -0.610 119.928 120.570 -0.054 0.000 2.406 339 I HA -0.156 4.014 4.170 0.000 0.000 0.249 339 I C 2.854 178.871 176.117 -0.166 0.000 1.122 339 I CA 0.854 62.109 61.300 -0.076 0.000 1.431 339 I CB -0.214 37.759 38.000 -0.045 0.000 1.087 339 I HN 0.320 nan 8.210 nan 0.000 0.424 340 A N 0.199 122.897 122.820 -0.203 0.000 1.969 340 A HA -0.225 4.095 4.320 0.000 0.000 0.218 340 A C 2.258 179.646 177.584 -0.327 0.000 1.169 340 A CA 1.459 53.244 52.037 -0.419 0.000 0.635 340 A CB -0.562 18.280 19.000 -0.263 0.000 0.810 340 A HN 0.462 nan 8.150 nan 0.000 0.445 341 E N -0.292 119.817 120.200 -0.152 0.000 2.401 341 E HA -0.118 4.232 4.350 0.000 0.000 0.199 341 E C 0.901 177.448 176.600 -0.089 0.000 1.023 341 E CA 0.603 56.951 56.400 -0.086 0.000 0.859 341 E CB -0.013 29.659 29.700 -0.047 0.000 0.780 341 E HN 0.472 nan 8.360 nan 0.000 0.523 342 L N -1.083 120.066 121.223 -0.122 0.000 2.585 342 L HA 0.265 4.605 4.340 0.000 0.000 0.226 342 L C 1.615 178.411 176.870 -0.123 0.000 1.113 342 L CA 1.083 55.861 54.840 -0.103 0.000 0.876 342 L CB -0.118 41.891 42.059 -0.083 0.000 1.072 342 L HN 0.366 nan 8.230 nan 0.000 0.468 343 G N 0.342 109.047 108.800 -0.158 0.000 2.176 343 G HA2 -0.218 3.742 3.960 0.000 0.000 0.232 343 G HA3 -0.218 3.742 3.960 0.000 0.000 0.232 343 G C 0.377 175.268 174.900 -0.015 0.000 0.986 343 G CA -0.412 44.658 45.100 -0.050 0.000 0.643 343 G HN 0.162 nan 8.290 nan 0.000 0.522 344 I N 1.802 122.280 120.570 -0.153 0.000 2.389 344 I HA 0.360 4.530 4.170 0.000 0.000 0.295 344 I C 0.001 175.967 176.117 -0.251 0.000 1.117 344 I CA -0.185 61.082 61.300 -0.054 0.000 1.317 344 I CB -1.045 36.941 38.000 -0.022 0.000 1.431 344 I HN 0.119 nan 8.210 nan 0.000 0.521 345 Y N 7.140 127.434 120.300 -0.009 0.000 2.446 345 Y HA 0.399 4.949 4.550 0.000 0.000 0.345 345 Y C -1.956 173.791 175.900 -0.255 0.000 0.984 345 Y CA -2.534 55.482 58.100 -0.139 0.000 1.058 345 Y CB 2.054 40.404 38.460 -0.183 0.000 1.220 345 Y HN 0.403 nan 8.280 nan 0.000 0.455 346 P HA 0.022 nan 4.420 nan 0.000 0.268 346 P C -0.355 176.974 177.300 0.048 0.000 1.204 346 P CA -0.010 63.074 63.100 -0.027 0.000 0.768 346 P CB 1.070 32.780 31.700 0.018 0.000 0.842 347 A N 4.031 126.890 122.820 0.065 0.000 2.478 347 A HA 0.138 4.458 4.320 0.000 0.000 0.239 347 A C 0.657 178.266 177.584 0.043 0.000 1.480 347 A CA -0.203 51.825 52.037 -0.014 0.000 1.308 347 A CB -1.219 17.738 19.000 -0.071 0.000 0.899 347 A HN 0.403 nan 8.150 nan 0.000 0.600 348 V N 1.240 121.196 119.914 0.070 0.000 2.585 348 V HA -0.001 4.120 4.120 0.000 0.000 0.296 348 V C 0.439 176.569 176.094 0.060 0.000 1.035 348 V CA -0.132 62.221 62.300 0.088 0.000 1.084 348 V CB 0.914 32.799 31.823 0.104 0.000 0.953 348 V HN 0.578 nan 8.190 nan 0.000 0.483 349 D N 7.859 128.298 120.400 0.064 0.000 2.339 349 D HA 0.215 4.855 4.640 0.000 0.000 0.241 349 D C -1.345 174.976 176.300 0.036 0.000 1.183 349 D CA -2.086 51.939 54.000 0.042 0.000 0.859 349 D CB 1.832 42.656 40.800 0.039 0.000 1.067 349 D HN 0.275 nan 8.370 nan 0.000 0.484 350 P HA -0.001 nan 4.420 nan 0.000 0.236 350 P C 0.891 178.185 177.300 -0.009 0.000 1.177 350 P CA 0.423 63.523 63.100 -0.001 0.000 0.773 350 P CB 0.348 32.038 31.700 -0.017 0.000 0.878 351 L N -0.722 120.499 121.223 -0.004 0.000 2.791 351 L HA 0.337 4.677 4.340 0.000 0.000 0.239 351 L C 0.686 177.545 176.870 -0.019 0.000 1.203 351 L CA 0.319 55.150 54.840 -0.015 0.000 1.002 351 L CB -0.161 41.888 42.059 -0.016 0.000 1.295 351 L HN -0.150 nan 8.230 nan 0.000 0.504 352 D N -1.156 119.241 120.400 -0.005 0.000 2.682 352 D HA 0.065 4.705 4.640 0.000 0.000 0.291 352 D C -0.286 176.036 176.300 0.036 0.000 1.585 352 D CA 0.148 54.143 54.000 -0.008 0.000 0.845 352 D CB 0.767 41.557 40.800 -0.016 0.000 1.323 352 D HN -0.097 nan 8.370 nan 0.000 0.438 353 S N 0.030 115.763 115.700 0.055 0.000 2.454 353 S HA 0.726 5.196 4.470 0.000 0.000 0.306 353 S C -0.119 174.533 174.600 0.087 0.000 1.100 353 S CA -0.567 57.696 58.200 0.105 0.000 1.087 353 S CB 1.759 65.028 63.200 0.115 0.000 1.019 353 S HN 0.284 nan 8.310 nan 0.000 0.480 354 T N -0.772 113.855 114.554 0.121 0.000 2.916 354 T HA 0.827 5.177 4.350 0.000 0.000 0.292 354 T C -0.603 174.172 174.700 0.126 0.000 1.064 354 T CA -0.877 61.280 62.100 0.096 0.000 1.011 354 T CB 1.849 70.762 68.868 0.075 0.000 1.152 354 T HN 0.421 nan 8.240 nan 0.000 0.510 355 S N -0.899 114.860 115.700 0.098 0.000 2.546 355 S HA 0.395 4.865 4.470 0.000 0.000 0.272 355 S C 0.751 175.399 174.600 0.079 0.000 1.140 355 S CA -0.816 57.449 58.200 0.108 0.000 0.920 355 S CB 1.894 65.163 63.200 0.115 0.000 1.083 355 S HN 0.902 nan 8.310 nan 0.000 0.476 356 R N 2.678 123.223 120.500 0.076 0.000 2.159 356 R HA -0.030 4.310 4.340 0.000 0.000 0.237 356 R C 1.662 177.989 176.300 0.046 0.000 1.131 356 R CA 2.203 58.337 56.100 0.057 0.000 0.982 356 R CB -0.432 29.899 30.300 0.051 0.000 0.868 356 R HN 0.831 nan 8.270 nan 0.000 0.453 357 I N -1.706 118.892 120.570 0.047 0.000 3.793 357 I HA 0.164 4.334 4.170 0.000 0.000 0.315 357 I C 0.366 176.492 176.117 0.014 0.000 1.275 357 I CA -0.266 61.051 61.300 0.028 0.000 1.214 357 I CB 0.130 38.148 38.000 0.029 0.000 1.018 357 I HN -0.014 nan 8.210 nan 0.000 0.439 358 M N 3.443 123.066 119.600 0.037 0.000 2.821 358 M HA 0.331 4.811 4.480 0.000 0.000 0.305 358 M C -0.968 175.448 176.300 0.194 0.000 1.466 358 M CA -0.002 55.334 55.300 0.060 0.000 1.526 358 M CB -1.030 31.592 32.600 0.036 0.000 1.321 358 M HN 0.343 nan 8.290 nan 0.000 0.492 359 D N 5.397 125.889 120.400 0.152 0.000 2.836 359 D HA 0.273 4.913 4.640 0.000 0.000 0.215 359 D C -2.730 173.492 176.300 -0.129 0.000 1.255 359 D CA -0.980 53.001 54.000 -0.032 0.000 0.822 359 D CB 2.134 42.910 40.800 -0.040 0.000 1.656 359 D HN 0.210 nan 8.370 nan 0.000 0.511 360 P HA -0.080 nan 4.420 nan 0.000 0.217 360 P C 0.800 178.032 177.300 -0.113 0.000 1.150 360 P CA 0.759 63.719 63.100 -0.234 0.000 0.832 360 P CB 0.408 31.882 31.700 -0.376 0.000 0.787 361 N N -0.300 118.327 118.700 -0.121 0.000 2.443 361 N HA -0.060 4.681 4.740 0.000 0.000 0.184 361 N C 1.789 177.277 175.510 -0.037 0.000 1.037 361 N CA 0.926 53.936 53.050 -0.066 0.000 0.896 361 N CB -0.375 38.074 38.487 -0.063 0.000 0.959 361 N HN 0.359 nan 8.380 nan 0.000 0.442 362 I N -0.852 119.697 120.570 -0.036 0.000 3.366 362 I HA -0.023 4.147 4.170 0.000 0.000 0.267 362 I C 1.683 177.799 176.117 -0.001 0.000 1.149 362 I CA 0.294 61.585 61.300 -0.014 0.000 1.436 362 I CB 0.011 38.004 38.000 -0.012 0.000 1.379 362 I HN -0.096 nan 8.210 nan 0.000 0.460 363 V N -0.767 119.137 119.914 -0.016 0.000 3.649 363 V HA 0.560 4.680 4.120 0.000 0.000 0.275 363 V C 0.822 176.961 176.094 0.075 0.000 1.281 363 V CA 0.186 62.483 62.300 -0.004 0.000 1.143 363 V CB -1.016 30.664 31.823 -0.239 0.000 0.892 363 V HN 0.540 nan 8.190 nan 0.000 0.441 364 G N 0.998 109.828 108.800 0.051 0.000 2.746 364 G HA2 -0.148 3.812 3.960 0.000 0.000 0.685 364 G HA3 -0.148 3.812 3.960 0.000 0.000 0.685 364 G C 0.500 175.461 174.900 0.102 0.000 1.350 364 G CA 0.367 45.508 45.100 0.068 0.000 0.837 364 G HN 1.405 nan 8.290 nan 0.000 0.564 365 S N -0.751 114.999 115.700 0.083 0.000 2.383 365 S HA -0.048 4.422 4.470 0.000 0.000 0.227 365 S C 1.805 176.503 174.600 0.164 0.000 1.026 365 S CA 1.896 60.160 58.200 0.106 0.000 0.981 365 S CB -0.085 63.153 63.200 0.064 0.000 0.818 365 S HN 0.873 nan 8.310 nan 0.000 0.472 366 E N 0.547 120.835 120.200 0.146 0.000 2.072 366 E HA -0.204 4.147 4.350 0.000 0.000 0.191 366 E C 2.051 178.768 176.600 0.194 0.000 0.985 366 E CA 1.055 57.541 56.400 0.143 0.000 0.801 366 E CB -0.293 29.472 29.700 0.108 0.000 0.750 366 E HN 0.865 nan 8.360 nan 0.000 0.452 367 H N -1.378 117.753 119.070 0.101 0.000 2.299 367 H HA -0.196 4.360 4.556 0.000 0.000 0.302 367 H C 2.113 177.498 175.328 0.095 0.000 1.078 367 H CA 1.597 57.700 56.048 0.091 0.000 1.323 367 H CB -0.092 29.722 29.762 0.087 0.000 1.381 367 H HN 0.226 nan 8.280 nan 0.000 0.498 368 Y N 1.770 122.156 120.300 0.142 0.000 2.053 368 Y HA -0.304 4.246 4.550 0.000 0.000 0.277 368 Y C 2.104 178.043 175.900 0.065 0.000 1.159 368 Y CA 2.203 60.328 58.100 0.042 0.000 1.125 368 Y CB -0.429 38.031 38.460 0.000 0.000 0.969 368 Y HN 0.347 nan 8.280 nan 0.000 0.492 369 D N -0.603 119.916 120.400 0.198 0.000 2.123 369 D HA -0.186 4.454 4.640 0.000 0.000 0.196 369 D C 2.424 178.737 176.300 0.021 0.000 0.992 369 D CA 1.645 55.706 54.000 0.101 0.000 0.833 369 D CB -0.612 40.272 40.800 0.141 0.000 0.954 369 D HN 0.320 nan 8.370 nan 0.000 0.455 370 V N 1.513 121.462 119.914 0.059 0.000 2.261 370 V HA -0.274 3.846 4.120 0.000 0.000 0.246 370 V C 2.518 178.601 176.094 -0.017 0.000 1.047 370 V CA 1.889 64.219 62.300 0.050 0.000 1.015 370 V CB -0.975 30.903 31.823 0.091 0.000 0.642 370 V HN 0.205 nan 8.190 nan 0.000 0.446 371 A N 0.352 123.153 122.820 -0.032 0.000 1.852 371 A HA -0.302 4.018 4.320 0.000 0.000 0.217 371 A C 2.271 179.756 177.584 -0.166 0.000 1.215 371 A CA 2.377 54.346 52.037 -0.112 0.000 0.641 371 A CB -0.716 18.221 19.000 -0.105 0.000 0.838 371 A HN 0.417 nan 8.150 nan 0.000 0.450 372 R N -0.451 119.893 120.500 -0.259 0.000 2.139 372 R HA -0.142 4.198 4.340 0.000 0.000 0.243 372 R C 2.268 178.498 176.300 -0.116 0.000 1.145 372 R CA 1.323 57.280 56.100 -0.238 0.000 0.976 372 R CB -1.806 28.293 30.300 -0.335 0.000 0.866 372 R HN 0.617 nan 8.270 nan 0.000 0.449 373 G N 0.147 108.901 108.800 -0.077 0.000 2.404 373 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 373 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 373 G C 1.592 176.477 174.900 -0.025 0.000 1.174 373 G CA 0.772 45.855 45.100 -0.028 0.000 0.780 373 G HN 0.184 nan 8.290 nan 0.000 0.537 374 V N 0.653 120.538 119.914 -0.047 0.000 2.324 374 V HA -0.298 3.822 4.120 0.000 0.000 0.250 374 V C 2.907 178.970 176.094 -0.052 0.000 1.060 374 V CA 2.415 64.679 62.300 -0.060 0.000 1.042 374 V CB -0.672 31.038 31.823 -0.189 0.000 0.650 374 V HN 0.425 nan 8.190 nan 0.000 0.450 375 Q N -0.549 119.209 119.800 -0.070 0.000 2.119 375 Q HA -0.209 4.131 4.340 0.000 0.000 0.201 375 Q C 2.364 178.349 176.000 -0.025 0.000 0.972 375 Q CA 1.621 57.393 55.803 -0.051 0.000 0.847 375 Q CB -0.195 28.500 28.738 -0.070 0.000 0.903 375 Q HN 0.591 nan 8.270 nan 0.000 0.433 376 K N 0.961 121.345 120.400 -0.026 0.000 1.991 376 K HA -0.168 4.152 4.320 0.000 0.000 0.212 376 K C 1.986 178.593 176.600 0.012 0.000 1.049 376 K CA 1.358 57.641 56.287 -0.008 0.000 0.932 376 K CB -0.229 32.266 32.500 -0.008 0.000 0.717 376 K HN 0.200 nan 8.250 nan 0.000 0.441 377 I N 0.991 121.571 120.570 0.016 0.000 2.454 377 I HA -0.239 3.931 4.170 0.000 0.000 0.254 377 I C 1.737 177.894 176.117 0.067 0.000 1.156 377 I CA 0.881 62.201 61.300 0.033 0.000 1.433 377 I CB 0.148 38.158 38.000 0.017 0.000 1.082 377 I HN 0.255 nan 8.210 nan 0.000 0.432 378 L N -0.003 121.255 121.223 0.060 0.000 2.072 378 L HA -0.188 4.152 4.340 0.000 0.000 0.205 378 L C 2.553 179.483 176.870 0.101 0.000 1.079 378 L CA 1.040 55.941 54.840 0.101 0.000 0.752 378 L CB -0.578 41.516 42.059 0.059 0.000 0.906 378 L HN 0.274 nan 8.230 nan 0.000 0.436 379 Q N 0.211 120.038 119.800 0.045 0.000 2.123 379 Q HA -0.190 4.150 4.340 0.000 0.000 0.199 379 Q C 1.696 177.709 176.000 0.022 0.000 0.966 379 Q CA 1.585 57.399 55.803 0.018 0.000 0.845 379 Q CB -0.088 28.649 28.738 -0.002 0.000 0.907 379 Q HN 0.341 nan 8.270 nan 0.000 0.439 380 D N -0.887 119.540 120.400 0.045 0.000 2.097 380 D HA -0.176 4.465 4.640 0.000 0.000 0.195 380 D C 1.577 177.925 176.300 0.079 0.000 0.989 380 D CA 1.259 55.289 54.000 0.049 0.000 0.827 380 D CB -0.416 40.415 40.800 0.051 0.000 0.966 380 D HN 0.353 nan 8.370 nan 0.000 0.456 381 Y N 1.966 122.259 120.300 -0.013 0.000 2.145 381 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 381 Y C 2.235 178.127 175.900 -0.013 0.000 1.145 381 Y CA 1.723 59.815 58.100 -0.012 0.000 1.148 381 Y CB -0.264 38.188 38.460 -0.012 0.000 0.981 381 Y HN -0.176 nan 8.280 nan 0.000 0.507 382 K N -0.482 119.799 120.400 -0.198 0.000 2.074 382 K HA -0.168 4.152 4.320 0.000 0.000 0.209 382 K C 2.157 178.630 176.600 -0.213 0.000 1.048 382 K CA 1.819 57.941 56.287 -0.275 0.000 0.926 382 K CB -0.318 32.111 32.500 -0.117 0.000 0.713 382 K HN 0.290 nan 8.250 nan 0.000 0.444 383 S N 0.513 116.141 115.700 -0.119 0.000 2.481 383 S HA 0.022 4.492 4.470 0.000 0.000 0.231 383 S C 1.539 176.089 174.600 -0.084 0.000 0.996 383 S CA 0.556 58.706 58.200 -0.084 0.000 0.942 383 S CB 0.040 63.213 63.200 -0.045 0.000 0.768 383 S HN 0.248 nan 8.310 nan 0.000 0.520 384 L N 0.721 121.884 121.223 -0.101 0.000 2.416 384 L HA 0.069 4.409 4.340 0.000 0.000 0.216 384 L C 2.383 179.181 176.870 -0.121 0.000 1.098 384 L CA 0.340 55.139 54.840 -0.069 0.000 0.840 384 L CB -0.225 41.840 42.059 0.010 0.000 0.981 384 L HN 0.259 nan 8.230 nan 0.000 0.462 385 Q N 0.412 120.054 119.800 -0.262 0.000 1.900 385 Q HA -0.276 4.064 4.340 0.000 0.000 0.219 385 Q C 1.601 177.519 176.000 -0.137 0.000 1.012 385 Q CA 2.175 57.809 55.803 -0.282 0.000 0.876 385 Q CB -0.236 28.267 28.738 -0.391 0.000 0.952 385 Q HN 0.417 nan 8.270 nan 0.000 0.419 386 D N 0.126 120.455 120.400 -0.120 0.000 2.239 386 D HA -0.167 4.474 4.640 0.000 0.000 0.202 386 D C 1.774 178.042 176.300 -0.052 0.000 0.993 386 D CA 1.083 55.038 54.000 -0.074 0.000 0.874 386 D CB -0.223 40.537 40.800 -0.067 0.000 0.922 386 D HN 0.326 nan 8.370 nan 0.000 0.464 387 I N 0.618 121.157 120.570 -0.053 0.000 2.235 387 I HA -0.137 4.033 4.170 0.000 0.000 0.241 387 I C 2.398 178.503 176.117 -0.020 0.000 1.085 387 I CA 0.662 61.942 61.300 -0.033 0.000 1.378 387 I CB -0.207 37.775 38.000 -0.030 0.000 1.076 387 I HN -0.027 nan 8.210 nan 0.000 0.415 388 I N -0.959 119.601 120.570 -0.017 0.000 3.251 388 I HA 0.105 4.275 4.170 0.000 0.000 0.277 388 I C 2.429 178.546 176.117 0.001 0.000 1.268 388 I CA 0.835 62.136 61.300 0.001 0.000 1.449 388 I CB -0.377 37.636 38.000 0.021 0.000 1.083 388 I HN 0.001 nan 8.210 nan 0.000 0.464 389 A N 1.837 124.651 122.820 -0.011 0.000 1.972 389 A HA -0.009 4.311 4.320 0.000 0.000 0.219 389 A C 2.223 179.803 177.584 -0.007 0.000 1.169 389 A CA 1.813 53.845 52.037 -0.009 0.000 0.635 389 A CB -0.575 18.412 19.000 -0.022 0.000 0.810 389 A HN 0.608 nan 8.150 nan 0.000 0.446 390 I N -2.130 118.435 120.570 -0.009 0.000 3.718 390 I HA 0.110 4.280 4.170 0.000 0.000 0.297 390 I C 1.455 177.570 176.117 -0.004 0.000 1.220 390 I CA 0.239 61.535 61.300 -0.007 0.000 1.381 390 I CB 0.156 38.150 38.000 -0.010 0.000 1.238 390 I HN 0.095 nan 8.210 nan 0.000 0.448 391 L N 1.410 122.631 121.223 -0.004 0.000 2.612 391 L HA 0.283 4.623 4.340 0.000 0.000 0.230 391 L C 0.650 177.522 176.870 0.003 0.000 1.140 391 L CA -0.049 54.790 54.840 -0.001 0.000 0.896 391 L CB -0.641 41.416 42.059 -0.002 0.000 1.065 391 L HN 0.394 nan 8.230 nan 0.000 0.447 392 G N -0.249 108.554 108.800 0.005 0.000 2.728 392 G HA2 -0.321 3.639 3.960 0.000 0.000 0.686 392 G HA3 -0.321 3.639 3.960 0.000 0.000 0.686 392 G C 0.034 174.942 174.900 0.013 0.000 1.337 392 G CA 0.007 45.112 45.100 0.009 0.000 0.861 392 G HN 0.079 nan 8.290 nan 0.000 0.597 393 M N 0.687 120.297 119.600 0.017 0.000 2.200 393 M HA 0.103 4.583 4.480 0.000 0.000 0.265 393 M C 1.848 178.160 176.300 0.018 0.000 1.066 393 M CA 2.653 57.967 55.300 0.022 0.000 1.127 393 M CB -0.223 32.392 32.600 0.024 0.000 1.379 393 M HN 0.556 nan 8.290 nan 0.000 0.420 394 D N 0.132 120.540 120.400 0.014 0.000 2.310 394 D HA -0.107 4.533 4.640 0.000 0.000 0.212 394 D C 1.571 177.878 176.300 0.011 0.000 0.965 394 D CA 0.720 54.727 54.000 0.012 0.000 0.879 394 D CB -0.145 40.661 40.800 0.010 0.000 0.921 394 D HN 0.418 nan 8.370 nan 0.000 0.510 395 E N -0.034 120.173 120.200 0.011 0.000 2.478 395 E HA -0.005 4.345 4.350 0.000 0.000 0.198 395 E C 0.685 177.291 176.600 0.010 0.000 1.046 395 E CA 0.084 56.489 56.400 0.009 0.000 0.870 395 E CB 0.218 29.923 29.700 0.007 0.000 0.818 395 E HN 0.384 nan 8.360 nan 0.000 0.527 396 L N 0.995 122.226 121.223 0.013 0.000 2.436 396 L HA 0.072 4.412 4.340 0.000 0.000 0.265 396 L C 0.904 177.782 176.870 0.013 0.000 1.168 396 L CA -0.304 54.545 54.840 0.015 0.000 0.815 396 L CB 0.954 43.027 42.059 0.022 0.000 1.109 396 L HN -0.092 nan 8.230 nan 0.000 0.462 397 S N 0.993 116.700 115.700 0.012 0.000 2.560 397 S HA -0.018 4.452 4.470 0.000 0.000 0.284 397 S C 1.100 175.707 174.600 0.011 0.000 1.327 397 S CA -0.490 57.716 58.200 0.010 0.000 1.055 397 S CB 0.547 63.754 63.200 0.010 0.000 0.868 397 S HN 0.605 nan 8.310 nan 0.000 0.506 398 E N 3.256 123.461 120.200 0.009 0.000 2.401 398 E HA -0.120 4.231 4.350 0.000 0.000 0.199 398 E C 1.241 177.845 176.600 0.007 0.000 1.023 398 E CA 0.992 57.397 56.400 0.008 0.000 0.859 398 E CB 0.089 29.794 29.700 0.007 0.000 0.780 398 E HN 0.752 nan 8.360 nan 0.000 0.523 399 E N 0.139 120.343 120.200 0.007 0.000 2.216 399 E HA -0.044 4.306 4.350 0.000 0.000 0.192 399 E C 1.541 178.146 176.600 0.009 0.000 0.973 399 E CA 0.206 56.611 56.400 0.007 0.000 0.851 399 E CB 0.250 29.954 29.700 0.007 0.000 0.804 399 E HN 0.121 nan 8.360 nan 0.000 0.477 400 D N 1.409 121.816 120.400 0.013 0.000 2.149 400 D HA -0.126 4.514 4.640 0.000 0.000 0.201 400 D C 1.696 178.009 176.300 0.022 0.000 0.972 400 D CA 1.025 55.038 54.000 0.021 0.000 0.835 400 D CB 0.080 40.895 40.800 0.024 0.000 0.966 400 D HN 0.193 nan 8.370 nan 0.000 0.476 401 K N 0.295 120.705 120.400 0.016 0.000 2.486 401 K HA -0.016 4.304 4.320 0.000 0.000 0.194 401 K C 1.831 178.428 176.600 -0.005 0.000 1.033 401 K CA 0.243 56.537 56.287 0.012 0.000 1.004 401 K CB 0.135 32.644 32.500 0.014 0.000 0.798 401 K HN -0.033 nan 8.250 nan 0.000 0.495 402 L N 2.256 123.475 121.223 -0.007 0.000 2.102 402 L HA -0.053 4.287 4.340 0.000 0.000 0.202 402 L C 2.349 179.197 176.870 -0.036 0.000 1.076 402 L CA 2.087 56.916 54.840 -0.019 0.000 0.761 402 L CB -0.676 41.377 42.059 -0.010 0.000 0.921 402 L HN 0.494 nan 8.230 nan 0.000 0.444 403 T N -4.259 110.283 114.554 -0.021 0.000 2.929 403 T HA -0.119 4.231 4.350 0.000 0.000 0.271 403 T C 1.829 176.489 174.700 -0.068 0.000 1.085 403 T CA 1.313 63.397 62.100 -0.027 0.000 1.125 403 T CB -0.824 68.049 68.868 0.009 0.000 0.874 403 T HN 0.098 nan 8.240 nan 0.000 0.494 404 V N 2.432 122.309 119.914 -0.062 0.000 2.283 404 V HA -0.127 3.993 4.120 0.000 0.000 0.243 404 V C 3.186 179.112 176.094 -0.280 0.000 1.039 404 V CA 2.014 64.223 62.300 -0.152 0.000 1.016 404 V CB -0.888 30.932 31.823 -0.005 0.000 0.650 404 V HN 0.772 nan 8.190 nan 0.000 0.449 405 S N 0.172 115.776 115.700 -0.160 0.000 2.423 405 S HA -0.164 4.306 4.470 0.000 0.000 0.231 405 S C 2.062 176.545 174.600 -0.195 0.000 1.014 405 S CA 1.127 59.232 58.200 -0.158 0.000 0.965 405 S CB -0.373 62.776 63.200 -0.085 0.000 0.785 405 S HN 0.560 nan 8.310 nan 0.000 0.495 406 R N 0.879 121.276 120.500 -0.173 0.000 2.093 406 R HA 0.229 4.569 4.340 0.000 0.000 0.224 406 R C 2.779 178.964 176.300 -0.193 0.000 1.101 406 R CA 1.084 57.080 56.100 -0.174 0.000 0.979 406 R CB -0.634 29.605 30.300 -0.101 0.000 0.877 406 R HN 0.556 nan 8.270 nan 0.000 0.441 407 A N 1.255 123.949 122.820 -0.211 0.000 1.898 407 A HA -0.136 4.184 4.320 0.000 0.000 0.216 407 A C 2.008 179.436 177.584 -0.260 0.000 1.181 407 A CA 1.072 52.986 52.037 -0.205 0.000 0.620 407 A CB -0.298 18.563 19.000 -0.232 0.000 0.819 407 A HN 0.184 nan 8.150 nan 0.000 0.442 408 R N -0.460 119.800 120.500 -0.400 0.000 2.189 408 R HA -0.057 4.283 4.340 0.000 0.000 0.223 408 R C 1.897 178.088 176.300 -0.182 0.000 1.092 408 R CA 1.398 57.316 56.100 -0.303 0.000 0.989 408 R CB -0.128 29.977 30.300 -0.324 0.000 0.876 408 R HN 0.514 nan 8.270 nan 0.000 0.457 409 K N 0.169 120.410 120.400 -0.266 0.000 2.128 409 K HA 0.057 4.377 4.320 0.000 0.000 0.202 409 K C 1.922 178.349 176.600 -0.289 0.000 1.050 409 K CA 0.697 56.727 56.287 -0.429 0.000 0.966 409 K CB 0.094 32.025 32.500 -0.948 0.000 0.759 409 K HN 0.035 nan 8.250 nan 0.000 0.454 410 I N 1.738 122.222 120.570 -0.143 0.000 2.286 410 I HA -0.309 3.861 4.170 0.000 0.000 0.248 410 I C 2.443 178.729 176.117 0.282 0.000 1.115 410 I CA 1.313 62.723 61.300 0.183 0.000 1.392 410 I CB -0.133 38.000 38.000 0.222 0.000 1.065 410 I HN 0.233 nan 8.210 nan 0.000 0.418 411 Q N 0.187 120.062 119.800 0.125 0.000 2.096 411 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 411 Q C 2.399 178.505 176.000 0.177 0.000 0.982 411 Q CA 1.683 57.563 55.803 0.129 0.000 0.850 411 Q CB -0.076 28.705 28.738 0.072 0.000 0.901 411 Q HN 0.453 nan 8.270 nan 0.000 0.422 412 R N -0.766 119.847 120.500 0.189 0.000 2.093 412 R HA -0.069 4.271 4.340 0.000 0.000 0.224 412 R C 1.854 178.341 176.300 0.311 0.000 1.101 412 R CA 0.753 57.022 56.100 0.282 0.000 0.979 412 R CB -0.125 30.361 30.300 0.311 0.000 0.877 412 R HN 0.155 nan 8.270 nan 0.000 0.441 413 F N 0.926 120.960 119.950 0.140 0.000 2.641 413 F HA 0.005 4.532 4.527 0.000 0.000 0.298 413 F C 1.370 177.297 175.800 0.212 0.000 1.146 413 F CA 0.822 58.868 58.000 0.076 0.000 1.464 413 F CB 0.110 39.014 39.000 -0.159 0.000 1.101 413 F HN -0.044 nan 8.300 nan 0.000 0.585 414 L N -0.685 120.710 121.223 0.286 0.000 2.209 414 L HA -0.027 4.313 4.340 0.000 0.000 0.207 414 L C 1.587 178.498 176.870 0.069 0.000 1.094 414 L CA 0.469 55.440 54.840 0.218 0.000 0.790 414 L CB -0.780 41.386 42.059 0.178 0.000 0.932 414 L HN 0.108 nan 8.230 nan 0.000 0.447 415 S N 0.185 115.920 115.700 0.059 0.000 2.584 415 S HA 0.201 4.671 4.470 0.000 0.000 0.270 415 S C -0.281 174.258 174.600 -0.100 0.000 1.346 415 S CA -0.386 57.806 58.200 -0.014 0.000 1.018 415 S CB 1.489 64.693 63.200 0.006 0.000 0.899 415 S HN 0.329 nan 8.310 nan 0.000 0.542 416 Q N 0.926 120.651 119.800 -0.126 0.000 2.443 416 Q HA 0.345 4.685 4.340 0.000 0.000 0.258 416 Q C -3.169 172.782 176.000 -0.082 0.000 0.967 416 Q CA -1.771 53.978 55.803 -0.091 0.000 0.951 416 Q CB 2.116 30.869 28.738 0.026 0.000 1.459 416 Q HN 0.559 nan 8.270 nan 0.000 0.415 417 P HA 0.114 nan 4.420 nan 0.000 0.271 417 P C -0.978 176.491 177.300 0.282 0.000 1.220 417 P CA 0.411 63.519 63.100 0.014 0.000 0.768 417 P CB 0.227 31.925 31.700 -0.004 0.000 0.848 418 F N 1.284 121.241 119.950 0.012 0.000 2.399 418 F HA 0.184 4.711 4.527 0.000 0.000 0.334 418 F C 2.256 178.065 175.800 0.015 0.000 1.097 418 F CA -0.768 57.244 58.000 0.019 0.000 1.076 418 F CB 1.896 40.919 39.000 0.038 0.000 1.162 418 F HN 0.355 nan 8.300 nan 0.000 0.495 419 Q N 1.894 121.782 119.800 0.147 0.000 2.135 419 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 419 Q C 1.603 177.639 176.000 0.061 0.000 0.981 419 Q CA 2.233 58.074 55.803 0.062 0.000 0.856 419 Q CB -0.059 28.679 28.738 0.001 0.000 0.902 419 Q HN 0.673 nan 8.270 nan 0.000 0.425 420 V N -2.701 117.270 119.914 0.095 0.000 3.461 420 V HA 0.289 4.409 4.120 0.000 0.000 0.267 420 V C 1.337 177.500 176.094 0.116 0.000 1.186 420 V CA 0.972 63.322 62.300 0.083 0.000 1.154 420 V CB -0.233 31.641 31.823 0.084 0.000 0.802 420 V HN 0.340 nan 8.190 nan 0.000 0.474 421 A N -0.491 122.438 122.820 0.182 0.000 2.637 421 A HA 0.402 4.722 4.320 0.000 0.000 0.293 421 A C 1.547 179.161 177.584 0.051 0.000 1.216 421 A CA -0.026 52.137 52.037 0.211 0.000 0.956 421 A CB -0.279 18.907 19.000 0.309 0.000 1.174 421 A HN 0.485 nan 8.150 nan 0.000 0.525 422 E N -0.128 120.056 120.200 -0.027 0.000 2.153 422 E HA -0.165 4.185 4.350 0.000 0.000 0.194 422 E C 1.825 178.342 176.600 -0.139 0.000 0.988 422 E CA 1.653 58.025 56.400 -0.047 0.000 0.811 422 E CB -0.159 29.516 29.700 -0.042 0.000 0.746 422 E HN 0.656 nan 8.360 nan 0.000 0.466 423 V N -1.960 117.751 119.914 -0.338 0.000 3.305 423 V HA -0.097 4.023 4.120 0.000 0.000 0.269 423 V C 1.427 177.241 176.094 -0.467 0.000 1.157 423 V CA 1.253 63.276 62.300 -0.461 0.000 1.157 423 V CB -0.758 30.676 31.823 -0.648 0.000 0.772 423 V HN 0.162 nan 8.190 nan 0.000 0.498 424 F N 1.144 121.079 119.950 -0.025 0.000 2.712 424 F HA 0.124 4.651 4.527 -0.000 0.000 0.297 424 F C 2.430 178.224 175.800 -0.009 0.000 1.114 424 F CA 0.667 58.641 58.000 -0.043 0.000 1.305 424 F CB 0.257 39.184 39.000 -0.121 0.000 1.086 424 F HN 0.246 nan 8.300 nan 0.000 0.599 425 T N -3.914 110.741 114.554 0.167 0.000 3.038 425 T HA 0.391 4.741 4.350 0.000 0.000 0.244 425 T C 1.936 176.720 174.700 0.139 0.000 1.016 425 T CA 0.749 62.971 62.100 0.203 0.000 1.098 425 T CB 0.282 69.284 68.868 0.223 0.000 0.954 425 T HN 0.304 nan 8.240 nan 0.000 0.469 426 G N 1.227 110.044 108.800 0.029 0.000 2.205 426 G HA2 -0.236 3.724 3.960 0.000 0.000 0.261 426 G HA3 -0.236 3.724 3.960 0.000 0.000 0.261 426 G C -0.047 174.758 174.900 -0.159 0.000 0.980 426 G CA 0.319 45.367 45.100 -0.087 0.000 0.632 426 G HN 0.797 nan 8.290 nan 0.000 0.533 427 H N -0.738 118.333 119.070 0.000 0.000 2.481 427 H HA 0.630 5.186 4.556 0.000 0.000 0.339 427 H C 0.345 175.670 175.328 -0.005 0.000 1.131 427 H CA -0.708 55.336 56.048 -0.007 0.000 1.301 427 H CB 1.535 31.285 29.762 -0.020 0.000 1.476 427 H HN 0.218 nan 8.280 nan 0.000 0.529 428 L N 1.836 123.129 121.223 0.116 0.000 2.416 428 L HA 0.240 4.580 4.340 0.000 0.000 0.272 428 L C 0.864 177.780 176.870 0.077 0.000 1.161 428 L CA 0.238 55.118 54.840 0.067 0.000 0.845 428 L CB 0.497 42.580 42.059 0.040 0.000 1.119 428 L HN 0.833 nan 8.230 nan 0.000 0.464 429 G N 4.276 113.114 108.800 0.064 0.000 2.353 429 G HA2 0.195 4.155 3.960 0.000 0.000 0.239 429 G HA3 0.195 4.155 3.960 0.000 0.000 0.239 429 G C -0.503 174.425 174.900 0.048 0.000 1.295 429 G CA -0.397 44.747 45.100 0.073 0.000 0.884 429 G HN 0.510 nan 8.290 nan 0.000 0.537 430 K N 1.745 122.178 120.400 0.055 0.000 2.397 430 K HA 0.365 4.685 4.320 0.000 0.000 0.253 430 K C -1.186 175.425 176.600 0.018 0.000 0.932 430 K CA -0.745 55.558 56.287 0.027 0.000 0.795 430 K CB 2.879 35.387 32.500 0.015 0.000 1.159 430 K HN 0.400 nan 8.250 nan 0.000 0.424 431 L N 2.924 124.147 121.223 -0.001 0.000 2.305 431 L HA 0.379 4.719 4.340 0.000 0.000 0.284 431 L C -1.033 175.831 176.870 -0.009 0.000 1.013 431 L CA -0.865 53.966 54.840 -0.016 0.000 0.819 431 L CB 1.412 43.456 42.059 -0.025 0.000 1.227 431 L HN 0.247 nan 8.230 nan 0.000 0.417 432 V N 6.606 126.512 119.914 -0.012 0.000 2.333 432 V HA 0.374 4.494 4.120 0.000 0.000 0.274 432 V C -1.979 174.115 176.094 0.000 0.000 1.028 432 V CA -1.720 60.577 62.300 -0.005 0.000 0.851 432 V CB 0.905 32.716 31.823 -0.021 0.000 1.000 432 V HN 0.693 nan 8.190 nan 0.000 0.456 433 P HA -0.003 nan 4.420 nan 0.000 0.269 433 P C 0.783 178.090 177.300 0.012 0.000 1.211 433 P CA -0.169 62.937 63.100 0.011 0.000 0.781 433 P CB 0.688 32.398 31.700 0.016 0.000 0.877 434 L N 2.973 124.200 121.223 0.007 0.000 2.017 434 L HA -0.155 4.185 4.340 0.000 0.000 0.208 434 L C 1.912 178.771 176.870 -0.017 0.000 1.073 434 L CA 1.991 56.825 54.840 -0.010 0.000 0.745 434 L CB -0.857 41.200 42.059 -0.003 0.000 0.894 434 L HN 0.181 nan 8.230 nan 0.000 0.432 435 K N -0.155 120.248 120.400 0.004 0.000 2.063 435 K HA -0.238 4.082 4.320 0.000 0.000 0.208 435 K C 2.143 178.765 176.600 0.036 0.000 1.048 435 K CA 1.659 57.953 56.287 0.013 0.000 0.928 435 K CB -0.170 32.345 32.500 0.025 0.000 0.713 435 K HN 0.418 nan 8.250 nan 0.000 0.442 436 E N 0.236 120.464 120.200 0.047 0.000 2.204 436 E HA -0.090 4.260 4.350 0.000 0.000 0.194 436 E C 1.550 178.221 176.600 0.119 0.000 0.989 436 E CA 1.416 57.860 56.400 0.072 0.000 0.824 436 E CB -0.020 29.716 29.700 0.060 0.000 0.756 436 E HN 0.152 nan 8.360 nan 0.000 0.477 437 T N 0.234 114.855 114.554 0.111 0.000 2.812 437 T HA -0.008 4.342 4.350 0.000 0.000 0.264 437 T C 1.826 176.703 174.700 0.294 0.000 1.042 437 T CA 1.169 63.391 62.100 0.204 0.000 1.140 437 T CB -0.180 68.770 68.868 0.137 0.000 0.870 437 T HN 0.148 nan 8.240 nan 0.000 0.445 438 I N 0.929 121.572 120.570 0.122 0.000 2.163 438 I HA -0.187 3.983 4.170 0.000 0.000 0.243 438 I C 2.696 178.912 176.117 0.165 0.000 1.085 438 I CA 1.335 62.693 61.300 0.097 0.000 1.347 438 I CB -0.292 37.688 38.000 -0.033 0.000 1.044 438 I HN 0.158 nan 8.210 nan 0.000 0.408 439 K N 1.087 121.565 120.400 0.129 0.000 2.057 439 K HA -0.151 4.169 4.320 0.000 0.000 0.207 439 K C 2.124 178.802 176.600 0.130 0.000 1.049 439 K CA 1.593 57.949 56.287 0.115 0.000 0.931 439 K CB -0.406 32.146 32.500 0.086 0.000 0.714 439 K HN 0.389 nan 8.250 nan 0.000 0.440 440 G N 0.677 109.563 108.800 0.142 0.000 2.491 440 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 440 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 440 G C 1.363 176.223 174.900 -0.067 0.000 1.180 440 G CA 0.919 46.026 45.100 0.011 0.000 0.774 440 G HN 0.284 nan 8.290 nan 0.000 0.562 441 F N 0.509 120.585 119.950 0.209 0.000 2.146 441 F HA -0.005 4.522 4.527 0.000 0.000 0.298 441 F C 2.949 178.799 175.800 0.082 0.000 1.096 441 F CA 1.499 59.590 58.000 0.153 0.000 1.275 441 F CB -0.348 38.754 39.000 0.171 0.000 1.008 441 F HN 0.153 nan 8.300 nan 0.000 0.480 442 Q N 0.387 120.336 119.800 0.250 0.000 2.096 442 Q HA -0.314 4.026 4.340 0.000 0.000 0.208 442 Q C 2.134 178.196 176.000 0.104 0.000 0.993 442 Q CA 2.218 58.109 55.803 0.147 0.000 0.862 442 Q CB -0.169 28.640 28.738 0.117 0.000 0.915 442 Q HN 0.510 nan 8.270 nan 0.000 0.416 443 Q N -0.391 119.473 119.800 0.106 0.000 2.119 443 Q HA -0.113 4.227 4.340 0.000 0.000 0.201 443 Q C 2.112 178.164 176.000 0.086 0.000 0.972 443 Q CA 1.306 57.157 55.803 0.079 0.000 0.847 443 Q CB 0.015 28.859 28.738 0.177 0.000 0.903 443 Q HN 0.487 nan 8.270 nan 0.000 0.433 444 I N 0.421 121.068 120.570 0.128 0.000 2.315 444 I HA -0.264 3.906 4.170 0.000 0.000 0.248 444 I C 2.083 178.218 176.117 0.030 0.000 1.117 444 I CA 0.948 62.296 61.300 0.080 0.000 1.404 444 I CB -0.168 37.782 38.000 -0.082 0.000 1.071 444 I HN 0.172 nan 8.210 nan 0.000 0.419 445 L N 0.573 121.832 121.223 0.059 0.000 2.093 445 L HA -0.163 4.177 4.340 0.000 0.000 0.208 445 L C 2.724 179.606 176.870 0.020 0.000 1.085 445 L CA 1.204 56.070 54.840 0.044 0.000 0.755 445 L CB -0.575 41.525 42.059 0.068 0.000 0.904 445 L HN 0.243 nan 8.230 nan 0.000 0.435 446 A N -0.663 122.167 122.820 0.016 0.000 2.119 446 A HA 0.109 4.430 4.320 0.000 0.000 0.217 446 A C 1.821 179.391 177.584 -0.024 0.000 1.153 446 A CA 1.131 53.166 52.037 -0.004 0.000 0.692 446 A CB -0.479 18.514 19.000 -0.011 0.000 0.799 446 A HN 0.566 nan 8.150 nan 0.000 0.458 447 G N -1.136 107.647 108.800 -0.029 0.000 2.176 447 G HA2 -0.239 3.721 3.960 0.000 0.000 0.232 447 G HA3 -0.239 3.721 3.960 0.000 0.000 0.232 447 G C 0.430 175.292 174.900 -0.063 0.000 0.986 447 G CA 0.510 45.593 45.100 -0.030 0.000 0.643 447 G HN 0.542 nan 8.290 nan 0.000 0.522 448 E N -0.900 119.194 120.200 -0.177 0.000 2.463 448 E HA 0.012 4.362 4.350 0.000 0.000 0.201 448 E C 0.841 177.108 176.600 -0.556 0.000 1.045 448 E CA 0.880 57.046 56.400 -0.390 0.000 0.872 448 E CB -0.123 29.198 29.700 -0.631 0.000 0.797 448 E HN 0.812 nan 8.360 nan 0.000 0.538 449 Y N -1.289 119.011 120.300 -0.000 0.000 2.738 449 Y HA 0.115 4.665 4.550 0.000 0.000 0.249 449 Y C 0.670 176.469 175.900 -0.169 0.000 1.157 449 Y CA -0.663 57.342 58.100 -0.158 0.000 1.189 449 Y CB 0.779 39.288 38.460 0.080 0.000 1.262 449 Y HN -0.070 nan 8.280 nan 0.000 0.554 450 D N 0.062 120.489 120.400 0.044 0.000 2.351 450 D HA -0.158 4.482 4.640 0.000 0.000 0.216 450 D C 1.886 178.232 176.300 0.078 0.000 0.968 450 D CA 1.297 55.325 54.000 0.047 0.000 0.899 450 D CB -0.117 40.713 40.800 0.051 0.000 0.907 450 D HN 0.638 nan 8.370 nan 0.000 0.514 451 H N -0.619 118.506 119.070 0.091 0.000 2.497 451 H HA 0.113 4.669 4.556 0.000 0.000 0.282 451 H C 1.039 176.428 175.328 0.102 0.000 1.003 451 H CA -0.104 55.989 56.048 0.075 0.000 1.307 451 H CB -0.219 29.574 29.762 0.052 0.000 1.437 451 H HN 0.075 nan 8.280 nan 0.000 0.544 452 L N 3.567 124.643 121.223 -0.245 0.000 2.461 452 L HA 0.163 4.503 4.340 0.000 0.000 0.272 452 L C -1.894 175.023 176.870 0.077 0.000 1.197 452 L CA -1.691 53.102 54.840 -0.077 0.000 0.836 452 L CB 0.399 42.399 42.059 -0.098 0.000 1.105 452 L HN 0.117 nan 8.230 nan 0.000 0.477 453 P HA 0.097 nan 4.420 nan 0.000 0.278 453 P C 0.223 177.627 177.300 0.173 0.000 1.238 453 P CA -0.394 62.758 63.100 0.086 0.000 0.794 453 P CB 1.147 32.875 31.700 0.046 0.000 0.955 454 E N 1.127 121.414 120.200 0.146 0.000 2.068 454 E HA -0.275 4.075 4.350 0.000 0.000 0.207 454 E C 1.557 178.302 176.600 0.240 0.000 1.032 454 E CA 1.518 58.018 56.400 0.166 0.000 0.839 454 E CB -0.055 29.678 29.700 0.055 0.000 0.758 454 E HN 0.395 nan 8.360 nan 0.000 0.457 455 Q N -0.880 119.006 119.800 0.143 0.000 2.508 455 Q HA -0.063 4.277 4.340 0.000 0.000 0.214 455 Q C 1.509 177.596 176.000 0.144 0.000 0.979 455 Q CA 0.900 56.789 55.803 0.143 0.000 0.911 455 Q CB 0.127 28.917 28.738 0.087 0.000 0.969 455 Q HN 0.324 nan 8.270 nan 0.000 0.504 456 A N -1.151 121.714 122.820 0.074 0.000 2.072 456 A HA 0.004 4.324 4.320 0.000 0.000 0.216 456 A C 1.333 178.796 177.584 -0.202 0.000 1.156 456 A CA 0.286 52.255 52.037 -0.113 0.000 0.701 456 A CB -0.265 18.566 19.000 -0.281 0.000 0.816 456 A HN 0.254 nan 8.150 nan 0.000 0.458 457 F N -2.090 117.861 119.950 0.001 0.000 2.789 457 F HA 0.181 4.708 4.527 0.000 0.000 0.300 457 F C 0.720 176.600 175.800 0.133 0.000 1.132 457 F CA -0.224 57.796 58.000 0.033 0.000 1.404 457 F CB -0.204 38.794 39.000 -0.003 0.000 1.114 457 F HN 0.290 nan 8.300 nan 0.000 0.584 458 Y N 1.210 121.600 120.300 0.151 0.000 2.377 458 Y HA 0.305 4.855 4.550 0.000 0.000 0.330 458 Y C 0.756 176.650 175.900 -0.010 0.000 1.108 458 Y CA -1.765 56.380 58.100 0.076 0.000 1.308 458 Y CB 0.390 38.884 38.460 0.056 0.000 1.216 458 Y HN 0.143 nan 8.280 nan 0.000 0.518 459 M N 5.110 124.212 119.600 -0.830 0.000 2.516 459 M HA -0.155 4.325 4.480 0.000 0.000 0.183 459 M C -1.676 174.336 176.300 -0.480 0.000 0.928 459 M CA 1.274 56.078 55.300 -0.826 0.000 0.573 459 M CB -1.315 30.511 32.600 -1.291 0.000 1.126 459 M HN 0.481 nan 8.290 nan 0.000 0.859 460 V N -1.603 118.165 119.914 -0.243 0.000 3.167 460 V HA 1.083 5.203 4.120 0.000 0.000 0.310 460 V C 0.769 176.807 176.094 -0.094 0.000 1.207 460 V CA -0.320 61.903 62.300 -0.128 0.000 1.059 460 V CB 1.387 33.177 31.823 -0.056 0.000 1.079 460 V HN 0.462 nan 8.190 nan 0.000 0.446 461 G N 0.277 109.048 108.800 -0.047 0.000 3.142 461 G HA2 0.416 4.376 3.960 0.000 0.000 0.178 461 G HA3 0.416 4.376 3.960 0.000 0.000 0.178 461 G C -2.132 172.767 174.900 -0.002 0.000 1.941 461 G CA -0.117 44.956 45.100 -0.046 0.000 0.902 461 G HN 0.787 nan 8.290 nan 0.000 0.517 462 P HA 0.142 nan 4.420 nan 0.000 0.274 462 P C 0.769 178.186 177.300 0.195 0.000 1.237 462 P CA -0.535 62.648 63.100 0.138 0.000 0.793 462 P CB 1.519 33.258 31.700 0.066 0.000 0.977 463 I N 1.070 121.749 120.570 0.181 0.000 2.315 463 I HA -0.300 3.870 4.170 0.000 0.000 0.251 463 I C 1.962 177.940 176.117 -0.232 0.000 1.125 463 I CA 1.865 63.048 61.300 -0.196 0.000 1.392 463 I CB -0.576 37.222 38.000 -0.337 0.000 1.065 463 I HN 0.282 nan 8.210 nan 0.000 0.424 464 E N 0.700 120.843 120.200 -0.096 0.000 2.086 464 E HA -0.280 4.070 4.350 0.000 0.000 0.200 464 E C 2.145 178.671 176.600 -0.124 0.000 1.012 464 E CA 1.949 58.296 56.400 -0.089 0.000 0.812 464 E CB -0.309 29.372 29.700 -0.032 0.000 0.743 464 E HN 0.595 nan 8.360 nan 0.000 0.453 465 E N -0.382 119.764 120.200 -0.090 0.000 2.204 465 E HA -0.127 4.223 4.350 0.000 0.000 0.194 465 E C 1.933 178.439 176.600 -0.157 0.000 0.989 465 E CA 0.703 57.051 56.400 -0.086 0.000 0.824 465 E CB -0.097 29.580 29.700 -0.039 0.000 0.756 465 E HN 0.281 nan 8.360 nan 0.000 0.477 466 A N 0.837 123.498 122.820 -0.264 0.000 1.930 466 A HA -0.123 4.197 4.320 0.000 0.000 0.217 466 A C 2.453 179.733 177.584 -0.507 0.000 1.175 466 A CA 0.954 52.696 52.037 -0.493 0.000 0.627 466 A CB -0.471 17.986 19.000 -0.904 0.000 0.815 466 A HN 0.108 nan 8.150 nan 0.000 0.443 467 V N -0.213 119.445 119.914 -0.426 0.000 2.358 467 V HA -0.214 3.906 4.120 0.000 0.000 0.246 467 V C 3.052 179.051 176.094 -0.159 0.000 1.047 467 V CA 1.847 63.979 62.300 -0.280 0.000 1.035 467 V CB -1.158 30.562 31.823 -0.173 0.000 0.658 467 V HN 0.615 nan 8.190 nan 0.000 0.452 468 A N -0.261 122.482 122.820 -0.129 0.000 1.858 468 A HA -0.283 4.037 4.320 0.000 0.000 0.216 468 A C 2.331 179.869 177.584 -0.076 0.000 1.190 468 A CA 2.229 54.220 52.037 -0.077 0.000 0.617 468 A CB -0.593 18.373 19.000 -0.057 0.000 0.827 468 A HN 0.473 nan 8.150 nan 0.000 0.443 469 K N -0.370 119.971 120.400 -0.098 0.000 2.218 469 K HA -0.142 4.178 4.320 0.000 0.000 0.205 469 K C 2.018 178.572 176.600 -0.076 0.000 1.046 469 K CA 1.120 57.362 56.287 -0.074 0.000 0.933 469 K CB -0.283 32.170 32.500 -0.078 0.000 0.728 469 K HN 0.430 nan 8.250 nan 0.000 0.454 470 A N 1.264 124.013 122.820 -0.119 0.000 1.930 470 A HA -0.164 4.156 4.320 0.000 0.000 0.217 470 A C 1.610 179.171 177.584 -0.038 0.000 1.175 470 A CA 1.713 53.694 52.037 -0.093 0.000 0.627 470 A CB -0.258 18.661 19.000 -0.134 0.000 0.815 470 A HN 0.328 nan 8.150 nan 0.000 0.443 471 D N -0.510 119.871 120.400 -0.033 0.000 2.123 471 D HA -0.106 4.534 4.640 0.000 0.000 0.200 471 D C 1.855 178.151 176.300 -0.007 0.000 0.976 471 D CA 1.154 55.147 54.000 -0.011 0.000 0.831 471 D CB -0.221 40.573 40.800 -0.010 0.000 0.974 471 D HN 0.485 nan 8.370 nan 0.000 0.469 472 K N 0.571 120.965 120.400 -0.010 0.000 2.211 472 K HA -0.084 4.236 4.320 0.000 0.000 0.204 472 K C 2.003 178.606 176.600 0.005 0.000 1.047 472 K CA 0.619 56.905 56.287 -0.002 0.000 0.935 472 K CB 0.003 32.503 32.500 -0.000 0.000 0.728 472 K HN 0.117 nan 8.250 nan 0.000 0.452 473 L N -0.388 120.837 121.223 0.003 0.000 2.509 473 L HA 0.061 4.401 4.340 0.000 0.000 0.222 473 L C 2.114 178.991 176.870 0.011 0.000 1.123 473 L CA 0.271 55.117 54.840 0.011 0.000 0.856 473 L CB -0.006 42.060 42.059 0.012 0.000 0.985 473 L HN 0.134 nan 8.230 nan 0.000 0.456 474 A N -0.527 122.298 122.820 0.009 0.000 2.119 474 A HA -0.038 4.282 4.320 0.000 0.000 0.217 474 A C 0.830 178.421 177.584 0.011 0.000 1.153 474 A CA 1.206 53.250 52.037 0.012 0.000 0.692 474 A CB -0.036 18.971 19.000 0.013 0.000 0.799 474 A HN 0.404 nan 8.150 nan 0.000 0.458 475 E N 0.000 120.206 120.200 0.009 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.405 56.400 0.009 0.000 0.976 475 E CB 0.000 29.704 29.700 0.008 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440