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 3lw2_1_A DATA FIRST_RESID 7 DATA SEQUENCE HTAHQATDFG VKVFQQVVQA SKDRNVVFSP YGVSSVLAML QMTTAGKTRR DATA SEQUENCE QIQDAMGFKV NEKGTAHALR QLSKELMGPW NKNEISTADA IFVQRDLELV DATA SEQUENCE QGFMPHFFKL FQTMVKQVDF SEVERARFII NDWVERHTKG MINDLLAKGA DATA SEQUENCE VDELTRLVLV NALYFSGQWK TPFLEASTHQ RLXXXXXXXX VSVPMMAQSN DATA SEQUENCE KFNYTEFTTP DGLEYDVVEL PYQGDTLSMF IAAPFEKDVH LSALTNILDA DATA SEQUENCE ELIRQWKGNM TRLPRLLILP KFSLETEVDL RGPLEKLGMP DMFSATLADF DATA SEQUENCE TSLSDQEQLS VAQALQKVRI EVNESGTVAS SSTAFVISAR MAPTEMVIDR DATA SEQUENCE SFLFVVRHNP TETILFMGQV MEP 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 7 H HA 0.000 nan 4.556 nan 0.000 0.296 7 H C 0.000 175.228 175.328 -0.166 0.000 0.993 7 H CA 0.000 55.949 56.048 -0.165 0.000 1.023 7 H CB 0.000 29.713 29.762 -0.081 0.000 1.292 8 T N 1.980 116.417 114.554 -0.195 0.000 2.684 8 T HA -0.119 4.251 4.350 0.033 0.000 0.267 8 T C 1.966 176.466 174.700 -0.333 0.000 1.036 8 T CA 1.878 63.724 62.100 -0.423 0.000 1.148 8 T CB -0.639 67.937 68.868 -0.487 0.000 0.863 8 T HN 0.479 nan 8.240 nan 0.000 0.436 9 A N 1.340 124.021 122.820 -0.232 0.000 1.908 9 A HA -0.222 4.118 4.320 0.033 0.000 0.218 9 A C 1.960 179.562 177.584 0.030 0.000 1.181 9 A CA 1.988 53.967 52.037 -0.096 0.000 0.627 9 A CB -1.049 17.894 19.000 -0.096 0.000 0.818 9 A HN 0.753 nan 8.150 nan 0.000 0.445 10 H N -1.150 117.899 119.070 -0.034 0.000 2.389 10 H HA -0.092 4.484 4.556 0.033 0.000 0.299 10 H C 2.372 177.694 175.328 -0.009 0.000 1.081 10 H CA 1.232 57.267 56.048 -0.023 0.000 1.345 10 H CB 0.025 29.764 29.762 -0.038 0.000 1.393 10 H HN 0.615 nan 8.280 nan 0.000 0.520 11 Q N 0.426 120.267 119.800 0.068 0.000 2.119 11 Q HA -0.074 4.286 4.340 0.033 0.000 0.201 11 Q C 2.638 178.811 176.000 0.288 0.000 0.972 11 Q CA 0.896 56.779 55.803 0.134 0.000 0.847 11 Q CB 0.036 28.858 28.738 0.141 0.000 0.903 11 Q HN 0.456 nan 8.270 nan 0.000 0.433 12 A N 0.442 123.434 122.820 0.286 0.000 1.902 12 A HA -0.192 4.148 4.320 0.033 0.000 0.217 12 A C 2.214 179.989 177.584 0.318 0.000 1.181 12 A CA 1.883 54.145 52.037 0.375 0.000 0.623 12 A CB -0.845 18.308 19.000 0.256 0.000 0.818 12 A HN 0.296 nan 8.150 nan 0.000 0.443 13 T N -0.133 114.556 114.554 0.225 0.000 2.701 13 T HA -0.124 4.246 4.350 0.033 0.000 0.263 13 T C 1.667 176.451 174.700 0.140 0.000 1.040 13 T CA 1.465 63.664 62.100 0.164 0.000 1.147 13 T CB -0.407 68.531 68.868 0.118 0.000 0.865 13 T HN 0.427 nan 8.240 nan 0.000 0.426 14 D N 0.278 120.762 120.400 0.140 0.000 2.123 14 D HA -0.068 4.592 4.640 0.033 0.000 0.196 14 D C 1.742 178.138 176.300 0.160 0.000 0.992 14 D CA 0.741 54.807 54.000 0.111 0.000 0.833 14 D CB -0.330 40.529 40.800 0.098 0.000 0.954 14 D HN 0.301 nan 8.370 nan 0.000 0.455 15 F N 1.245 121.247 119.950 0.087 0.000 2.075 15 F HA -0.067 4.482 4.527 0.036 0.000 0.297 15 F C 2.261 178.135 175.800 0.122 0.000 1.113 15 F CA 2.106 60.158 58.000 0.087 0.000 1.218 15 F CB -0.686 38.363 39.000 0.083 0.000 0.984 15 F HN -0.043 nan 8.300 nan 0.000 0.472 16 G N -0.079 108.751 108.800 0.049 0.000 2.422 16 G HA2 -0.193 3.787 3.960 0.033 0.000 0.218 16 G HA3 -0.193 3.787 3.960 0.033 0.000 0.218 16 G C 1.722 176.686 174.900 0.105 0.000 1.146 16 G CA 1.161 46.272 45.100 0.020 0.000 0.769 16 G HN 0.370 nan 8.290 nan 0.000 0.547 17 V N 0.795 120.757 119.914 0.080 0.000 2.427 17 V HA -0.160 3.980 4.120 0.033 0.000 0.248 17 V C 2.760 178.880 176.094 0.044 0.000 1.051 17 V CA 2.051 64.406 62.300 0.092 0.000 1.048 17 V CB -0.361 31.482 31.823 0.034 0.000 0.666 17 V HN 0.374 nan 8.190 nan 0.000 0.456 18 K N -0.113 120.263 120.400 -0.041 0.000 2.097 18 K HA -0.125 4.214 4.320 0.033 0.000 0.206 18 K C 2.092 178.587 176.600 -0.174 0.000 1.049 18 K CA 1.394 57.629 56.287 -0.088 0.000 0.933 18 K CB -0.429 32.033 32.500 -0.063 0.000 0.717 18 K HN 0.368 nan 8.250 nan 0.000 0.442 19 V N 1.314 121.065 119.914 -0.272 0.000 2.307 19 V HA -0.237 3.903 4.120 0.033 0.000 0.245 19 V C 2.017 177.857 176.094 -0.424 0.000 1.045 19 V CA 1.606 63.725 62.300 -0.302 0.000 1.024 19 V CB -0.581 31.093 31.823 -0.248 0.000 0.651 19 V HN 0.197 nan 8.190 nan 0.000 0.449 20 F N 1.169 120.756 119.950 -0.606 0.000 2.087 20 F HA -0.304 4.246 4.527 0.038 0.000 0.299 20 F C 2.506 178.035 175.800 -0.450 0.000 1.100 20 F CA 2.244 59.767 58.000 -0.795 0.000 1.226 20 F CB -0.441 38.352 39.000 -0.343 0.000 0.983 20 F HN 0.167 nan 8.300 nan 0.000 0.479 21 Q N -0.629 118.962 119.800 -0.347 0.000 2.124 21 Q HA -0.232 4.127 4.340 0.033 0.000 0.202 21 Q C 2.242 178.025 176.000 -0.363 0.000 0.977 21 Q CA 1.575 57.159 55.803 -0.364 0.000 0.850 21 Q CB -0.238 28.408 28.738 -0.154 0.000 0.901 21 Q HN 0.468 nan 8.270 nan 0.000 0.429 22 Q N -0.300 119.315 119.800 -0.310 0.000 2.119 22 Q HA -0.093 4.267 4.340 0.033 0.000 0.201 22 Q C 2.222 178.041 176.000 -0.302 0.000 0.972 22 Q CA 0.935 56.587 55.803 -0.251 0.000 0.847 22 Q CB -0.158 28.465 28.738 -0.191 0.000 0.903 22 Q HN 0.259 nan 8.270 nan 0.000 0.433 23 V N 0.171 119.827 119.914 -0.430 0.000 2.358 23 V HA -0.185 3.954 4.120 0.033 0.000 0.246 23 V C 2.435 178.289 176.094 -0.400 0.000 1.047 23 V CA 1.194 63.248 62.300 -0.411 0.000 1.035 23 V CB -0.494 30.995 31.823 -0.556 0.000 0.658 23 V HN 0.087 nan 8.190 nan 0.000 0.452 24 V N -0.265 119.300 119.914 -0.581 0.000 2.343 24 V HA -0.333 3.807 4.120 0.033 0.000 0.247 24 V C 2.424 178.344 176.094 -0.291 0.000 1.051 24 V CA 2.415 64.416 62.300 -0.498 0.000 1.036 24 V CB -0.571 30.817 31.823 -0.725 0.000 0.654 24 V HN 0.643 nan 8.190 nan 0.000 0.451 25 Q N -0.018 119.621 119.800 -0.268 0.000 2.084 25 Q HA -0.194 4.166 4.340 0.033 0.000 0.202 25 Q C 2.098 178.015 176.000 -0.138 0.000 0.978 25 Q CA 2.023 57.723 55.803 -0.171 0.000 0.844 25 Q CB -0.263 28.383 28.738 -0.154 0.000 0.898 25 Q HN 0.628 nan 8.270 nan 0.000 0.426 26 A N -0.222 122.507 122.820 -0.151 0.000 2.167 26 A HA -0.038 4.302 4.320 0.033 0.000 0.214 26 A C 1.961 179.483 177.584 -0.103 0.000 1.151 26 A CA 1.190 53.157 52.037 -0.117 0.000 0.735 26 A CB -0.302 18.626 19.000 -0.120 0.000 0.802 26 A HN 0.410 nan 8.150 nan 0.000 0.467 27 S N -0.306 115.322 115.700 -0.121 0.000 2.501 27 S HA 0.019 4.508 4.470 0.033 0.000 0.220 27 S C 0.553 175.113 174.600 -0.067 0.000 0.997 27 S CA 0.479 58.623 58.200 -0.094 0.000 0.919 27 S CB -0.505 62.625 63.200 -0.116 0.000 0.778 27 S HN 0.509 nan 8.310 nan 0.000 0.523 28 K N 1.523 121.884 120.400 -0.065 0.000 3.419 28 K HA -0.171 4.169 4.320 0.033 0.000 0.272 28 K C -0.503 176.091 176.600 -0.009 0.000 0.973 28 K CA 0.560 56.828 56.287 -0.032 0.000 0.749 28 K CB -1.842 30.638 32.500 -0.033 0.000 1.403 28 K HN 0.399 nan 8.250 nan 0.000 0.456 29 D N -2.111 118.285 120.400 -0.007 0.000 3.006 29 D HA -0.160 4.500 4.640 0.033 0.000 0.205 29 D C -0.141 176.136 176.300 -0.037 0.000 1.075 29 D CA 1.338 55.333 54.000 -0.009 0.000 1.000 29 D CB -0.480 40.352 40.800 0.054 0.000 1.097 29 D HN 0.538 nan 8.370 nan 0.000 0.426 30 R N 0.755 121.233 120.500 -0.037 0.000 2.641 30 R HA 0.277 4.636 4.340 0.033 0.000 0.269 30 R C 0.523 176.803 176.300 -0.034 0.000 1.074 30 R CA -0.587 55.495 56.100 -0.029 0.000 1.133 30 R CB 0.343 30.632 30.300 -0.018 0.000 1.029 30 R HN 0.049 nan 8.270 nan 0.000 0.488 31 N N 0.858 119.547 118.700 -0.018 0.000 2.412 31 N HA 0.025 4.785 4.740 0.033 0.000 0.254 31 N C -0.772 174.770 175.510 0.054 0.000 1.232 31 N CA 0.390 53.443 53.050 0.006 0.000 0.880 31 N CB 0.699 39.200 38.487 0.024 0.000 1.076 31 N HN 0.173 nan 8.380 nan 0.000 0.458 32 V N 1.891 121.861 119.914 0.094 0.000 2.733 32 V HA 0.400 4.540 4.120 0.033 0.000 0.306 32 V C -0.427 175.834 176.094 0.278 0.000 1.084 32 V CA -0.853 61.539 62.300 0.154 0.000 0.905 32 V CB 2.324 34.193 31.823 0.077 0.000 1.010 32 V HN 0.374 nan 8.190 nan 0.000 0.424 33 V N 5.842 125.965 119.914 0.348 0.000 2.823 33 V HA 0.892 5.031 4.120 0.033 0.000 0.312 33 V C -1.672 174.715 176.094 0.488 0.000 1.072 33 V CA -0.486 62.079 62.300 0.442 0.000 0.937 33 V CB 1.955 34.094 31.823 0.528 0.000 1.013 33 V HN 0.800 nan 8.190 nan 0.000 0.430 34 F N 3.938 124.060 119.950 0.286 0.000 2.678 34 F HA 0.686 5.235 4.527 0.037 0.000 0.308 34 F C -0.791 175.115 175.800 0.177 0.000 1.118 34 F CA -0.202 57.942 58.000 0.240 0.000 0.959 34 F CB 2.138 41.339 39.000 0.334 0.000 1.305 34 F HN 0.485 nan 8.300 nan 0.000 0.443 35 S N 5.813 120.964 115.700 -0.916 0.000 2.667 35 S HA 0.474 4.963 4.470 0.033 0.000 0.304 35 S C -2.406 171.682 174.600 -0.854 0.000 1.135 35 S CA -1.515 56.264 58.200 -0.702 0.000 1.125 35 S CB 1.258 64.151 63.200 -0.512 0.000 0.996 35 S HN 0.435 nan 8.310 nan 0.000 0.474 36 P HA -0.123 nan 4.420 nan 0.000 0.215 36 P C 0.994 178.270 177.300 -0.041 0.000 1.157 36 P CA 0.852 63.905 63.100 -0.078 0.000 0.868 36 P CB -0.089 31.649 31.700 0.063 0.000 0.788 37 Y N 0.759 120.957 120.300 -0.170 0.000 2.207 37 Y HA -0.172 4.397 4.550 0.032 0.000 0.287 37 Y C 2.397 178.241 175.900 -0.093 0.000 1.156 37 Y CA 2.067 60.100 58.100 -0.111 0.000 1.182 37 Y CB -1.155 37.199 38.460 -0.176 0.000 0.979 37 Y HN -0.129 nan 8.280 nan 0.000 0.521 38 G N -0.864 107.820 108.800 -0.193 0.000 2.421 38 G HA2 -0.268 3.712 3.960 0.033 0.000 0.216 38 G HA3 -0.268 3.712 3.960 0.033 0.000 0.216 38 G C 1.817 176.630 174.900 -0.144 0.000 1.171 38 G CA 1.136 46.122 45.100 -0.190 0.000 0.775 38 G HN 0.422 nan 8.290 nan 0.000 0.543 39 V N 1.685 121.525 119.914 -0.123 0.000 2.427 39 V HA -0.152 3.988 4.120 0.033 0.000 0.248 39 V C 3.164 179.357 176.094 0.165 0.000 1.051 39 V CA 2.866 65.194 62.300 0.047 0.000 1.048 39 V CB -0.354 31.541 31.823 0.119 0.000 0.666 39 V HN 0.543 nan 8.190 nan 0.000 0.456 40 S N -0.656 115.128 115.700 0.140 0.000 2.402 40 S HA -0.161 4.329 4.470 0.033 0.000 0.229 40 S C 2.025 176.654 174.600 0.047 0.000 1.021 40 S CA 1.656 59.992 58.200 0.227 0.000 0.974 40 S CB -0.575 62.789 63.200 0.272 0.000 0.800 40 S HN 0.601 nan 8.310 nan 0.000 0.484 41 S N 1.549 117.149 115.700 -0.167 0.000 2.356 41 S HA -0.013 4.476 4.470 0.033 0.000 0.223 41 S C 1.971 176.542 174.600 -0.049 0.000 1.032 41 S CA 1.285 59.371 58.200 -0.191 0.000 1.005 41 S CB -0.590 62.383 63.200 -0.378 0.000 0.867 41 S HN 0.439 nan 8.310 nan 0.000 0.449 42 V N 2.237 122.161 119.914 0.017 0.000 2.379 42 V HA -0.073 4.067 4.120 0.033 0.000 0.245 42 V C 2.247 178.418 176.094 0.129 0.000 1.044 42 V CA 1.104 63.462 62.300 0.097 0.000 1.036 42 V CB -0.629 31.328 31.823 0.222 0.000 0.664 42 V HN 0.391 nan 8.190 nan 0.000 0.453 43 L N 0.208 121.540 121.223 0.181 0.000 2.131 43 L HA -0.156 4.204 4.340 0.033 0.000 0.210 43 L C 2.735 179.613 176.870 0.013 0.000 1.092 43 L CA 2.249 57.167 54.840 0.130 0.000 0.759 43 L CB -1.599 40.562 42.059 0.170 0.000 0.903 43 L HN 0.409 nan 8.230 nan 0.000 0.435 44 A N -0.486 122.361 122.820 0.045 0.000 1.908 44 A HA -0.248 4.092 4.320 0.033 0.000 0.218 44 A C 2.343 180.004 177.584 0.129 0.000 1.181 44 A CA 1.749 53.862 52.037 0.127 0.000 0.627 44 A CB -0.396 18.765 19.000 0.268 0.000 0.818 44 A HN 0.336 nan 8.150 nan 0.000 0.445 45 M N -1.448 118.076 119.600 -0.128 0.000 2.159 45 M HA -0.126 4.373 4.480 0.033 0.000 0.263 45 M C 2.160 178.472 176.300 0.019 0.000 1.063 45 M CA 1.371 56.449 55.300 -0.370 0.000 1.110 45 M CB -0.330 32.052 32.600 -0.363 0.000 1.374 45 M HN 0.460 nan 8.290 nan 0.000 0.411 46 L N 0.590 121.804 121.223 -0.015 0.000 2.131 46 L HA -0.223 4.137 4.340 0.033 0.000 0.210 46 L C 2.290 179.139 176.870 -0.036 0.000 1.092 46 L CA 1.817 56.623 54.840 -0.057 0.000 0.759 46 L CB -0.529 41.430 42.059 -0.167 0.000 0.903 46 L HN 0.320 nan 8.230 nan 0.000 0.435 47 Q N -1.524 118.275 119.800 -0.002 0.000 2.135 47 Q HA -0.217 4.142 4.340 0.033 0.000 0.204 47 Q C 1.828 177.883 176.000 0.093 0.000 0.981 47 Q CA 1.544 57.346 55.803 -0.001 0.000 0.856 47 Q CB -0.183 28.562 28.738 0.012 0.000 0.902 47 Q HN 0.477 nan 8.270 nan 0.000 0.425 48 M N -0.364 119.383 119.600 0.245 0.000 2.558 48 M HA -0.021 4.478 4.480 0.033 0.000 0.255 48 M C 1.858 178.436 176.300 0.464 0.000 1.113 48 M CA 1.028 56.558 55.300 0.384 0.000 1.097 48 M CB -0.559 32.374 32.600 0.555 0.000 1.426 48 M HN 0.227 nan 8.290 nan 0.000 0.488 49 T N -2.811 111.929 114.554 0.310 0.000 3.044 49 T HA 0.089 4.459 4.350 0.033 0.000 0.250 49 T C 0.901 175.593 174.700 -0.013 0.000 1.081 49 T CA 0.251 62.487 62.100 0.227 0.000 1.040 49 T CB -0.325 68.670 68.868 0.211 0.000 0.962 49 T HN 0.355 nan 8.240 nan 0.000 0.506 50 T N -0.356 114.093 114.554 -0.175 0.000 2.949 50 T HA 0.882 5.252 4.350 0.033 0.000 0.287 50 T C -0.345 174.234 174.700 -0.202 0.000 1.034 50 T CA -0.503 61.339 62.100 -0.430 0.000 1.018 50 T CB 1.937 70.439 68.868 -0.610 0.000 1.135 50 T HN 0.514 nan 8.240 nan 0.000 0.532 51 A N -0.562 122.131 122.820 -0.212 0.000 2.533 51 A HA 0.984 5.324 4.320 0.033 0.000 0.293 51 A C 0.636 178.151 177.584 -0.116 0.000 1.228 51 A CA -0.116 51.853 52.037 -0.113 0.000 0.689 51 A CB 0.629 19.591 19.000 -0.064 0.000 1.303 51 A HN 2.339 nan 8.150 nan 0.000 0.444 52 G N 0.084 108.840 108.800 -0.073 0.000 2.574 52 G HA2 -0.309 3.670 3.960 0.033 0.000 0.282 52 G HA3 -0.309 3.670 3.960 0.033 0.000 0.282 52 G C 0.929 175.786 174.900 -0.072 0.000 1.257 52 G CA 1.101 46.163 45.100 -0.063 0.000 0.956 52 G HN 1.314 nan 8.290 nan 0.000 0.560 53 K N -0.632 119.730 120.400 -0.064 0.000 2.211 53 K HA -0.012 4.328 4.320 0.033 0.000 0.203 53 K C 2.756 179.305 176.600 -0.085 0.000 1.050 53 K CA 2.049 58.301 56.287 -0.059 0.000 0.945 53 K CB -0.467 32.010 32.500 -0.039 0.000 0.732 53 K HN 0.521 nan 8.250 nan 0.000 0.451 54 T N 0.540 115.019 114.554 -0.124 0.000 2.643 54 T HA -0.187 4.183 4.350 0.033 0.000 0.264 54 T C 1.768 176.351 174.700 -0.196 0.000 1.045 54 T CA 1.609 63.598 62.100 -0.184 0.000 1.155 54 T CB -0.231 68.456 68.868 -0.302 0.000 0.863 54 T HN 0.347 nan 8.240 nan 0.000 0.420 55 R N 0.828 121.207 120.500 -0.202 0.000 2.091 55 R HA -0.072 4.287 4.340 0.033 0.000 0.238 55 R C 2.601 178.825 176.300 -0.127 0.000 1.136 55 R CA 1.500 57.499 56.100 -0.167 0.000 0.959 55 R CB -0.167 30.055 30.300 -0.130 0.000 0.856 55 R HN 0.258 nan 8.270 nan 0.000 0.437 56 R N 0.339 120.780 120.500 -0.099 0.000 2.081 56 R HA -0.151 4.209 4.340 0.033 0.000 0.235 56 R C 2.223 178.476 176.300 -0.078 0.000 1.131 56 R CA 1.888 57.942 56.100 -0.077 0.000 0.960 56 R CB -0.087 30.180 30.300 -0.055 0.000 0.856 56 R HN 0.427 nan 8.270 nan 0.000 0.436 57 Q N 0.093 119.849 119.800 -0.074 0.000 2.061 57 Q HA -0.201 4.159 4.340 0.033 0.000 0.204 57 Q C 2.179 178.132 176.000 -0.078 0.000 0.984 57 Q CA 1.981 57.751 55.803 -0.054 0.000 0.846 57 Q CB -0.158 28.560 28.738 -0.034 0.000 0.902 57 Q HN 0.428 nan 8.270 nan 0.000 0.421 58 I N 0.424 120.922 120.570 -0.121 0.000 2.233 58 I HA -0.280 3.910 4.170 0.033 0.000 0.243 58 I C 2.425 178.378 176.117 -0.273 0.000 1.093 58 I CA 1.174 62.366 61.300 -0.180 0.000 1.380 58 I CB -0.250 37.635 38.000 -0.191 0.000 1.067 58 I HN 0.203 nan 8.210 nan 0.000 0.413 59 Q N 0.556 120.219 119.800 -0.228 0.000 2.096 59 Q HA -0.247 4.113 4.340 0.033 0.000 0.204 59 Q C 1.840 177.712 176.000 -0.213 0.000 0.982 59 Q CA 1.787 57.439 55.803 -0.251 0.000 0.850 59 Q CB -0.166 28.481 28.738 -0.151 0.000 0.901 59 Q HN 0.462 nan 8.270 nan 0.000 0.422 60 D N 0.115 120.436 120.400 -0.132 0.000 2.117 60 D HA -0.132 4.528 4.640 0.033 0.000 0.197 60 D C 1.719 177.970 176.300 -0.081 0.000 0.987 60 D CA 1.426 55.378 54.000 -0.079 0.000 0.829 60 D CB -0.187 40.589 40.800 -0.041 0.000 0.961 60 D HN 0.282 nan 8.370 nan 0.000 0.460 61 A N 0.226 122.986 122.820 -0.100 0.000 1.929 61 A HA -0.066 4.274 4.320 0.033 0.000 0.216 61 A C 2.203 179.705 177.584 -0.137 0.000 1.176 61 A CA 0.981 53.004 52.037 -0.024 0.000 0.628 61 A CB -0.378 18.671 19.000 0.082 0.000 0.816 61 A HN 0.146 nan 8.150 nan 0.000 0.444 62 M N -1.894 117.406 119.600 -0.499 0.000 2.388 62 M HA 0.124 4.623 4.480 0.033 0.000 0.265 62 M C 1.562 177.630 176.300 -0.387 0.000 1.088 62 M CA 1.016 55.847 55.300 -0.783 0.000 1.134 62 M CB 0.108 31.957 32.600 -1.252 0.000 1.384 62 M HN 0.643 nan 8.290 nan 0.000 0.447 63 G N 1.473 110.123 108.800 -0.251 0.000 2.175 63 G HA2 -0.268 3.712 3.960 0.033 0.000 0.244 63 G HA3 -0.268 3.712 3.960 0.033 0.000 0.244 63 G C -0.073 174.880 174.900 0.088 0.000 0.982 63 G CA 0.280 45.363 45.100 -0.029 0.000 0.641 63 G HN 0.550 nan 8.290 nan 0.000 0.527 64 F N -1.739 118.176 119.950 -0.059 0.000 2.686 64 F HA 0.825 5.371 4.527 0.033 0.000 0.311 64 F C -0.794 174.980 175.800 -0.043 0.000 1.128 64 F CA -2.044 55.938 58.000 -0.029 0.000 0.946 64 F CB 0.969 39.959 39.000 -0.018 0.000 1.336 64 F HN -0.048 nan 8.300 nan 0.000 0.457 65 K N 1.842 122.384 120.400 0.237 0.000 2.425 65 K HA 0.496 4.836 4.320 0.033 0.000 0.259 65 K C 0.082 176.801 176.600 0.198 0.000 0.978 65 K CA -0.835 55.519 56.287 0.113 0.000 0.883 65 K CB 2.425 34.961 32.500 0.060 0.000 1.110 65 K HN 0.605 nan 8.250 nan 0.000 0.436 66 V N 1.892 121.917 119.914 0.185 0.000 2.469 66 V HA -0.290 3.850 4.120 0.033 0.000 0.251 66 V C 1.700 177.807 176.094 0.022 0.000 1.064 66 V CA 1.922 64.315 62.300 0.155 0.000 1.066 66 V CB -0.583 31.332 31.823 0.152 0.000 0.667 66 V HN 0.797 nan 8.190 nan 0.000 0.461 67 N N -0.118 118.604 118.700 0.037 0.000 2.461 67 N HA -0.031 4.729 4.740 0.033 0.000 0.188 67 N C 0.478 176.000 175.510 0.020 0.000 1.134 67 N CA 0.238 53.303 53.050 0.025 0.000 0.878 67 N CB 0.052 38.586 38.487 0.078 0.000 0.972 67 N HN 0.584 nan 8.380 nan 0.000 0.456 68 E N 0.685 120.901 120.200 0.028 0.000 2.222 68 E HA 0.261 4.631 4.350 0.033 0.000 0.267 68 E C 0.090 176.693 176.600 0.006 0.000 0.963 68 E CA -0.878 55.535 56.400 0.021 0.000 0.837 68 E CB 1.493 31.215 29.700 0.037 0.000 1.183 68 E HN -0.074 nan 8.360 nan 0.000 0.403 69 K N -0.166 120.231 120.400 -0.006 0.000 2.179 69 K HA -0.244 4.096 4.320 0.033 0.000 0.144 69 K C 0.756 177.336 176.600 -0.034 0.000 1.469 69 K CA 1.444 57.719 56.287 -0.021 0.000 0.623 69 K CB -1.446 31.045 32.500 -0.015 0.000 0.552 69 K HN 0.835 nan 8.250 nan 0.000 0.958 70 G N 0.576 109.355 108.800 -0.035 0.000 3.959 70 G HA2 0.286 4.266 3.960 0.033 0.000 0.298 70 G HA3 0.286 4.266 3.960 0.033 0.000 0.298 70 G C 0.860 175.749 174.900 -0.017 0.000 1.211 70 G CA 0.436 45.519 45.100 -0.030 0.000 1.001 70 G HN 0.453 nan 8.290 nan 0.000 0.561 71 T N 1.062 115.589 114.554 -0.044 0.000 2.737 71 T HA -0.057 4.312 4.350 0.033 0.000 0.265 71 T C 2.825 177.447 174.700 -0.130 0.000 1.038 71 T CA 1.481 63.526 62.100 -0.092 0.000 1.144 71 T CB -0.017 68.829 68.868 -0.037 0.000 0.866 71 T HN 0.385 nan 8.240 nan 0.000 0.434 72 A N 1.430 124.165 122.820 -0.140 0.000 1.902 72 A HA -0.188 4.152 4.320 0.033 0.000 0.217 72 A C 2.165 179.623 177.584 -0.210 0.000 1.181 72 A CA 1.683 53.564 52.037 -0.259 0.000 0.623 72 A CB -0.991 17.751 19.000 -0.428 0.000 0.818 72 A HN 0.662 nan 8.150 nan 0.000 0.443 73 H N 0.200 119.143 119.070 -0.211 0.000 2.352 73 H HA -0.125 4.451 4.556 0.033 0.000 0.299 73 H C 2.265 177.515 175.328 -0.130 0.000 1.097 73 H CA 1.810 57.759 56.048 -0.165 0.000 1.311 73 H CB -0.209 29.474 29.762 -0.132 0.000 1.377 73 H HN 0.405 nan 8.280 nan 0.000 0.504 74 A N 1.289 124.052 122.820 -0.095 0.000 1.908 74 A HA -0.129 4.211 4.320 0.033 0.000 0.218 74 A C 2.862 180.346 177.584 -0.168 0.000 1.181 74 A CA 1.440 53.399 52.037 -0.131 0.000 0.627 74 A CB -0.841 18.091 19.000 -0.112 0.000 0.818 74 A HN 0.441 nan 8.150 nan 0.000 0.445 75 L N -1.287 119.836 121.223 -0.166 0.000 2.093 75 L HA -0.147 4.213 4.340 0.033 0.000 0.208 75 L C 2.854 179.671 176.870 -0.089 0.000 1.085 75 L CA 1.194 55.973 54.840 -0.102 0.000 0.755 75 L CB -0.480 41.538 42.059 -0.068 0.000 0.904 75 L HN 0.356 nan 8.230 nan 0.000 0.435 76 R N -0.360 120.036 120.500 -0.173 0.000 2.081 76 R HA -0.139 4.221 4.340 0.033 0.000 0.235 76 R C 2.304 178.495 176.300 -0.181 0.000 1.131 76 R CA 0.959 56.955 56.100 -0.173 0.000 0.960 76 R CB -0.253 29.899 30.300 -0.246 0.000 0.856 76 R HN 0.412 nan 8.270 nan 0.000 0.436 77 Q N 0.672 120.306 119.800 -0.276 0.000 2.167 77 Q HA -0.124 4.236 4.340 0.033 0.000 0.202 77 Q C 2.199 178.148 176.000 -0.085 0.000 0.970 77 Q CA 0.868 56.553 55.803 -0.198 0.000 0.855 77 Q CB -0.281 28.305 28.738 -0.252 0.000 0.911 77 Q HN 0.213 nan 8.270 nan 0.000 0.438 78 L N 1.382 122.561 121.223 -0.075 0.000 1.989 78 L HA -0.202 4.158 4.340 0.033 0.000 0.211 78 L C 2.375 179.214 176.870 -0.052 0.000 1.071 78 L CA 2.446 57.263 54.840 -0.038 0.000 0.749 78 L CB -0.982 41.081 42.059 0.007 0.000 0.890 78 L HN 0.250 nan 8.230 nan 0.000 0.431 79 S N -1.116 114.585 115.700 0.002 0.000 2.383 79 S HA -0.247 4.243 4.470 0.033 0.000 0.229 79 S C 1.990 176.557 174.600 -0.055 0.000 1.030 79 S CA 1.330 59.532 58.200 0.003 0.000 1.002 79 S CB -0.674 62.574 63.200 0.081 0.000 0.829 79 S HN 0.532 nan 8.310 nan 0.000 0.467 80 K N 1.202 121.579 120.400 -0.038 0.000 2.032 80 K HA -0.152 4.188 4.320 0.033 0.000 0.209 80 K C 2.461 179.059 176.600 -0.004 0.000 1.048 80 K CA 1.677 57.955 56.287 -0.016 0.000 0.927 80 K CB -0.259 32.252 32.500 0.018 0.000 0.712 80 K HN 0.661 nan 8.250 nan 0.000 0.441 81 E N 1.294 121.522 120.200 0.046 0.000 2.077 81 E HA -0.185 4.185 4.350 0.033 0.000 0.193 81 E C 1.997 178.517 176.600 -0.134 0.000 0.989 81 E CA 0.923 57.428 56.400 0.175 0.000 0.800 81 E CB -0.061 29.749 29.700 0.183 0.000 0.746 81 E HN 0.197 nan 8.360 nan 0.000 0.452 82 L N 0.056 121.087 121.223 -0.320 0.000 2.127 82 L HA -0.164 4.196 4.340 0.033 0.000 0.211 82 L C 2.549 179.199 176.870 -0.366 0.000 1.089 82 L CA 1.054 55.592 54.840 -0.504 0.000 0.757 82 L CB -0.274 41.471 42.059 -0.522 0.000 0.899 82 L HN 0.294 nan 8.230 nan 0.000 0.434 83 M N -0.472 118.955 119.600 -0.288 0.000 2.561 83 M HA 0.115 4.615 4.480 0.033 0.000 0.238 83 M C 1.089 177.153 176.300 -0.394 0.000 1.131 83 M CA -0.071 55.080 55.300 -0.248 0.000 1.046 83 M CB -0.168 32.351 32.600 -0.136 0.000 1.532 83 M HN 0.207 nan 8.290 nan 0.000 0.497 84 G N 1.558 109.926 108.800 -0.720 0.000 2.491 84 G HA2 0.138 4.118 3.960 0.033 0.000 0.242 84 G HA3 0.138 4.118 3.960 0.033 0.000 0.242 84 G C -1.850 172.374 174.900 -1.128 0.000 1.266 84 G CA -1.010 43.287 45.100 -1.337 0.000 0.844 84 G HN 0.127 nan 8.290 nan 0.000 0.571 85 P HA -0.098 nan 4.420 nan 0.000 0.223 85 P C 1.321 178.530 177.300 -0.151 0.000 1.151 85 P CA 1.168 64.115 63.100 -0.255 0.000 0.787 85 P CB -0.008 31.665 31.700 -0.045 0.000 0.788 86 W N 0.554 121.883 121.300 0.048 0.000 2.525 86 W HA 0.069 4.749 4.660 0.033 0.000 0.259 86 W C 1.358 177.924 176.519 0.079 0.000 1.253 86 W CA 0.202 57.581 57.345 0.057 0.000 1.262 86 W CB -2.196 27.297 29.460 0.055 0.000 1.122 86 W HN -0.180 nan 8.180 nan 0.000 0.607 87 N N 1.548 120.100 118.700 -0.248 0.000 2.381 87 N HA -0.163 4.597 4.740 0.033 0.000 0.182 87 N C 0.651 176.193 175.510 0.054 0.000 1.025 87 N CA 1.690 54.728 53.050 -0.020 0.000 0.888 87 N CB -0.273 38.151 38.487 -0.105 0.000 0.965 87 N HN 0.068 nan 8.380 nan 0.000 0.438 88 K N -0.346 120.062 120.400 0.014 0.000 3.407 88 K HA -0.128 4.212 4.320 0.033 0.000 0.312 88 K C -0.762 175.853 176.600 0.025 0.000 1.302 88 K CA 0.590 56.901 56.287 0.040 0.000 0.931 88 K CB -2.044 30.508 32.500 0.086 0.000 1.257 88 K HN 0.413 nan 8.250 nan 0.000 0.454 89 N N 0.674 119.381 118.700 0.011 0.000 2.336 89 N HA 0.087 4.847 4.740 0.033 0.000 0.290 89 N C -0.931 174.572 175.510 -0.012 0.000 1.058 89 N CA -0.632 52.409 53.050 -0.014 0.000 0.865 89 N CB 1.926 40.440 38.487 0.045 0.000 1.581 89 N HN 0.127 nan 8.380 nan 0.000 0.480 90 E N 2.620 122.791 120.200 -0.048 0.000 2.351 90 E HA 0.190 4.559 4.350 0.033 0.000 0.266 90 E C -0.818 175.839 176.600 0.095 0.000 1.031 90 E CA 0.260 56.666 56.400 0.009 0.000 0.911 90 E CB 0.477 30.205 29.700 0.048 0.000 0.986 90 E HN 0.416 nan 8.360 nan 0.000 0.446 91 I N 3.779 124.399 120.570 0.084 0.000 2.533 91 I HA 0.204 4.393 4.170 0.033 0.000 0.290 91 I C -0.675 175.494 176.117 0.086 0.000 1.056 91 I CA -0.604 60.766 61.300 0.116 0.000 1.057 91 I CB 2.101 40.101 38.000 -0.001 0.000 1.240 91 I HN 0.475 nan 8.210 nan 0.000 0.423 92 S N 2.804 118.603 115.700 0.166 0.000 2.536 92 S HA 0.760 5.250 4.470 0.033 0.000 0.287 92 S C -0.710 173.980 174.600 0.150 0.000 1.101 92 S CA -0.690 57.583 58.200 0.122 0.000 0.950 92 S CB 2.247 65.512 63.200 0.109 0.000 1.056 92 S HN 0.602 nan 8.310 nan 0.000 0.481 93 T N 0.716 115.351 114.554 0.135 0.000 2.912 93 T HA 0.771 5.141 4.350 0.033 0.000 0.299 93 T C -1.122 173.680 174.700 0.171 0.000 1.052 93 T CA -0.243 61.972 62.100 0.192 0.000 0.996 93 T CB 1.198 70.242 68.868 0.293 0.000 1.070 93 T HN 1.504 nan 8.240 nan 0.000 0.465 94 A N 3.642 126.571 122.820 0.181 0.000 2.515 94 A HA 0.767 5.107 4.320 0.033 0.000 0.298 94 A C -1.573 176.198 177.584 0.311 0.000 1.059 94 A CA -0.746 51.397 52.037 0.177 0.000 0.698 94 A CB 1.623 20.595 19.000 -0.047 0.000 1.289 94 A HN 0.754 nan 8.150 nan 0.000 0.404 95 D N 0.122 120.672 120.400 0.250 0.000 2.575 95 D HA 0.761 5.421 4.640 0.033 0.000 0.236 95 D C -0.451 175.835 176.300 -0.024 0.000 1.075 95 D CA 0.165 54.240 54.000 0.125 0.000 0.860 95 D CB 2.261 43.068 40.800 0.011 0.000 1.475 95 D HN 0.915 nan 8.370 nan 0.000 0.474 96 A N 1.215 123.847 122.820 -0.312 0.000 2.572 96 A HA 0.721 5.061 4.320 0.033 0.000 0.295 96 A C -1.461 175.815 177.584 -0.513 0.000 1.072 96 A CA -0.730 50.922 52.037 -0.641 0.000 0.691 96 A CB 1.548 19.599 19.000 -1.581 0.000 1.291 96 A HN 0.540 nan 8.150 nan 0.000 0.404 97 I N 0.845 121.065 120.570 -0.583 0.000 2.499 97 I HA 0.722 4.912 4.170 0.033 0.000 0.288 97 I C -2.006 173.765 176.117 -0.578 0.000 1.048 97 I CA -0.851 60.194 61.300 -0.425 0.000 1.062 97 I CB 1.016 38.771 38.000 -0.407 0.000 1.238 97 I HN 0.522 nan 8.210 nan 0.000 0.426 98 F N 7.205 127.080 119.950 -0.124 0.000 2.444 98 F HA 0.576 5.123 4.527 0.033 0.000 0.342 98 F C 0.047 175.874 175.800 0.046 0.000 1.121 98 F CA -0.705 57.258 58.000 -0.061 0.000 0.997 98 F CB 1.938 40.935 39.000 -0.006 0.000 1.130 98 F HN 0.256 nan 8.300 nan 0.000 0.454 99 V N 0.405 120.403 119.914 0.139 0.000 2.769 99 V HA 0.589 4.729 4.120 0.033 0.000 0.312 99 V C -0.449 175.727 176.094 0.135 0.000 1.061 99 V CA -1.271 61.112 62.300 0.139 0.000 0.931 99 V CB 1.641 33.445 31.823 -0.033 0.000 1.010 99 V HN 0.674 nan 8.190 nan 0.000 0.433 100 Q N 2.295 122.240 119.800 0.242 0.000 2.308 100 Q HA 0.034 4.394 4.340 0.033 0.000 0.313 100 Q C 1.305 177.317 176.000 0.020 0.000 1.075 100 Q CA 1.357 57.251 55.803 0.151 0.000 0.995 100 Q CB 0.520 29.362 28.738 0.173 0.000 1.107 100 Q HN 0.890 nan 8.270 nan 0.000 0.380 101 R N 2.958 123.442 120.500 -0.027 0.000 2.091 101 R HA -0.174 4.186 4.340 0.033 0.000 0.238 101 R C 0.293 176.584 176.300 -0.015 0.000 1.136 101 R CA 2.061 58.143 56.100 -0.031 0.000 0.959 101 R CB 0.052 30.327 30.300 -0.042 0.000 0.856 101 R HN 0.863 nan 8.270 nan 0.000 0.437 102 D N 0.034 120.430 120.400 -0.007 0.000 2.388 102 D HA -0.012 4.648 4.640 0.033 0.000 0.221 102 D C -0.002 176.293 176.300 -0.010 0.000 1.133 102 D CA -0.336 53.660 54.000 -0.007 0.000 0.831 102 D CB -0.140 40.658 40.800 -0.003 0.000 0.962 102 D HN 0.134 nan 8.370 nan 0.000 0.502 103 L N 1.533 122.748 121.223 -0.014 0.000 2.361 103 L HA 0.175 4.535 4.340 0.033 0.000 0.278 103 L C 0.221 177.068 176.870 -0.038 0.000 1.113 103 L CA -0.176 54.647 54.840 -0.029 0.000 0.849 103 L CB 0.639 42.672 42.059 -0.042 0.000 1.155 103 L HN -0.038 nan 8.230 nan 0.000 0.452 104 E N 5.437 125.616 120.200 -0.034 0.000 2.217 104 E HA 0.191 4.561 4.350 0.033 0.000 0.279 104 E C -0.870 175.703 176.600 -0.045 0.000 1.068 104 E CA -0.362 56.022 56.400 -0.028 0.000 0.882 104 E CB 0.472 30.162 29.700 -0.017 0.000 1.039 104 E HN 0.621 nan 8.360 nan 0.000 0.418 105 L N 3.681 124.879 121.223 -0.042 0.000 2.418 105 L HA 0.229 4.589 4.340 0.033 0.000 0.265 105 L C 0.333 177.199 176.870 -0.006 0.000 1.143 105 L CA -0.873 53.926 54.840 -0.069 0.000 0.809 105 L CB 1.159 43.187 42.059 -0.050 0.000 1.124 105 L HN 0.328 nan 8.230 nan 0.000 0.456 106 V N 1.822 121.734 119.914 -0.004 0.000 2.694 106 V HA -0.106 4.034 4.120 0.033 0.000 0.306 106 V C 0.672 176.833 176.094 0.113 0.000 1.054 106 V CA 0.146 62.481 62.300 0.058 0.000 1.161 106 V CB 0.900 32.772 31.823 0.081 0.000 0.916 106 V HN 0.786 nan 8.190 nan 0.000 0.490 107 Q N 3.379 123.225 119.800 0.076 0.000 2.269 107 Q HA 0.176 4.536 4.340 0.033 0.000 0.300 107 Q C 1.184 177.244 176.000 0.100 0.000 1.070 107 Q CA 0.978 56.826 55.803 0.075 0.000 0.957 107 Q CB 0.083 28.848 28.738 0.045 0.000 1.131 107 Q HN 1.178 nan 8.270 nan 0.000 0.377 108 G N 3.885 112.753 108.800 0.114 0.000 2.176 108 G HA2 -0.357 3.622 3.960 0.033 0.000 0.253 108 G HA3 -0.357 3.622 3.960 0.033 0.000 0.253 108 G C 0.189 175.196 174.900 0.178 0.000 0.979 108 G CA 0.293 45.462 45.100 0.116 0.000 0.641 108 G HN 0.762 nan 8.290 nan 0.000 0.530 109 F N 1.011 121.022 119.950 0.102 0.000 2.095 109 F HA 0.044 4.590 4.527 0.033 0.000 0.298 109 F C 2.793 178.724 175.800 0.218 0.000 1.104 109 F CA 2.727 60.823 58.000 0.159 0.000 1.232 109 F CB -0.209 38.847 39.000 0.094 0.000 0.987 109 F HN 0.243 nan 8.300 nan 0.000 0.475 110 M N -0.086 119.654 119.600 0.233 0.000 2.117 110 M HA -0.130 4.370 4.480 0.033 0.000 0.262 110 M C -0.559 175.819 176.300 0.131 0.000 1.065 110 M CA 1.897 57.292 55.300 0.158 0.000 1.114 110 M CB -1.669 31.029 32.600 0.162 0.000 1.361 110 M HN 0.073 nan 8.290 nan 0.000 0.408 111 P HA -0.153 nan 4.420 nan 0.000 0.216 111 P C 1.198 178.602 177.300 0.174 0.000 1.153 111 P CA 1.495 64.684 63.100 0.148 0.000 0.848 111 P CB -0.204 31.564 31.700 0.114 0.000 0.787 112 H N -1.539 117.540 119.070 0.015 0.000 2.357 112 H HA -0.082 4.494 4.556 0.033 0.000 0.301 112 H C 1.808 177.094 175.328 -0.069 0.000 1.082 112 H CA 1.347 57.373 56.048 -0.037 0.000 1.342 112 H CB -1.003 28.727 29.762 -0.053 0.000 1.389 112 H HN -0.063 nan 8.280 nan 0.000 0.511 113 F N -0.386 119.375 119.950 -0.314 0.000 2.134 113 F HA -0.171 4.376 4.527 0.032 0.000 0.299 113 F C 2.106 177.882 175.800 -0.041 0.000 1.097 113 F CA 1.446 59.287 58.000 -0.264 0.000 1.264 113 F CB -0.556 38.151 39.000 -0.489 0.000 1.001 113 F HN 0.272 nan 8.300 nan 0.000 0.479 114 F N 1.050 121.026 119.950 0.044 0.000 2.186 114 F HA -0.139 4.407 4.527 0.033 0.000 0.299 114 F C 2.403 178.151 175.800 -0.087 0.000 1.090 114 F CA 1.962 59.977 58.000 0.024 0.000 1.307 114 F CB -0.608 38.419 39.000 0.045 0.000 1.019 114 F HN -0.085 nan 8.300 nan 0.000 0.489 115 K N 0.453 120.773 120.400 -0.132 0.000 2.002 115 K HA -0.162 4.178 4.320 0.033 0.000 0.209 115 K C 2.108 178.448 176.600 -0.433 0.000 1.048 115 K CA 1.972 58.110 56.287 -0.248 0.000 0.930 115 K CB -0.429 31.992 32.500 -0.132 0.000 0.714 115 K HN 0.379 nan 8.250 nan 0.000 0.438 116 L N -0.475 120.383 121.223 -0.607 0.000 2.141 116 L HA -0.093 4.267 4.340 0.033 0.000 0.209 116 L C 1.595 177.862 176.870 -1.004 0.000 1.094 116 L CA 1.143 55.459 54.840 -0.873 0.000 0.763 116 L CB -0.106 41.211 42.059 -1.237 0.000 0.908 116 L HN 0.227 nan 8.230 nan 0.000 0.437 117 F N -1.947 117.664 119.950 -0.565 0.000 2.746 117 F HA 0.159 4.706 4.527 0.033 0.000 0.313 117 F C 0.850 176.400 175.800 -0.416 0.000 1.095 117 F CA -0.489 57.207 58.000 -0.508 0.000 1.224 117 F CB 0.280 38.844 39.000 -0.727 0.000 1.060 117 F HN -0.086 nan 8.300 nan 0.000 0.584 118 Q N 0.824 120.340 119.800 -0.473 0.000 2.481 118 Q HA -0.219 4.140 4.340 0.033 0.000 0.272 118 Q C 0.101 175.975 176.000 -0.211 0.000 1.157 118 Q CA 1.294 56.655 55.803 -0.736 0.000 0.935 118 Q CB -2.350 26.118 28.738 -0.451 0.000 1.338 118 Q HN 0.365 nan 8.270 nan 0.000 0.494 119 T N -0.440 114.163 114.554 0.081 0.000 2.886 119 T HA 0.621 4.991 4.350 0.033 0.000 0.292 119 T C -0.234 174.757 174.700 0.485 0.000 1.012 119 T CA -0.693 61.584 62.100 0.295 0.000 0.982 119 T CB 0.856 69.837 68.868 0.187 0.000 1.018 119 T HN 0.098 nan 8.240 nan 0.000 0.451 120 M N 3.988 123.811 119.600 0.372 0.000 2.233 120 M HA 0.349 4.849 4.480 0.033 0.000 0.355 120 M C 0.085 176.424 176.300 0.064 0.000 1.191 120 M CA -0.638 54.797 55.300 0.226 0.000 1.101 120 M CB 1.335 33.970 32.600 0.059 0.000 1.592 120 M HN 0.391 nan 8.290 nan 0.000 0.461 121 V N 4.645 124.581 119.914 0.037 0.000 2.584 121 V HA -0.108 4.032 4.120 0.033 0.000 0.303 121 V C 0.586 176.609 176.094 -0.118 0.000 1.035 121 V CA 0.507 62.757 62.300 -0.084 0.000 1.172 121 V CB -0.529 31.290 31.823 -0.007 0.000 0.896 121 V HN 0.675 nan 8.190 nan 0.000 0.486 122 K N 5.307 125.562 120.400 -0.243 0.000 2.213 122 K HA 0.472 4.812 4.320 0.033 0.000 0.270 122 K C -0.417 176.135 176.600 -0.079 0.000 1.002 122 K CA -0.474 55.700 56.287 -0.189 0.000 0.868 122 K CB 1.484 33.765 32.500 -0.365 0.000 1.093 122 K HN 0.639 nan 8.250 nan 0.000 0.454 123 Q N 1.493 121.273 119.800 -0.033 0.000 2.230 123 Q HA 0.519 4.879 4.340 0.033 0.000 0.248 123 Q C -0.713 175.252 176.000 -0.058 0.000 0.915 123 Q CA -0.836 54.945 55.803 -0.037 0.000 0.900 123 Q CB 1.888 30.607 28.738 -0.032 0.000 1.229 123 Q HN 0.258 nan 8.270 nan 0.000 0.439 124 V N 1.113 120.928 119.914 -0.165 0.000 2.969 124 V HA 0.124 4.264 4.120 0.033 0.000 0.304 124 V C -1.338 174.512 176.094 -0.407 0.000 1.192 124 V CA -0.916 61.190 62.300 -0.324 0.000 0.962 124 V CB 2.354 33.840 31.823 -0.562 0.000 1.045 124 V HN 0.736 nan 8.190 nan 0.000 0.428 125 D N 2.419 122.646 120.400 -0.288 0.000 2.396 125 D HA 0.361 5.020 4.640 0.033 0.000 0.225 125 D C 0.430 176.616 176.300 -0.191 0.000 1.121 125 D CA -0.266 53.625 54.000 -0.181 0.000 0.853 125 D CB 0.815 41.571 40.800 -0.073 0.000 1.043 125 D HN 0.317 nan 8.370 nan 0.000 0.500 126 F N 1.524 121.467 119.950 -0.011 0.000 2.604 126 F HA -0.081 4.466 4.527 0.033 0.000 0.298 126 F C 2.594 178.386 175.800 -0.013 0.000 1.131 126 F CA 0.680 58.669 58.000 -0.018 0.000 1.457 126 F CB -0.230 38.753 39.000 -0.028 0.000 1.095 126 F HN 0.401 nan 8.300 nan 0.000 0.574 127 S N -0.817 114.961 115.700 0.130 0.000 2.489 127 S HA -0.062 4.427 4.470 0.033 0.000 0.228 127 S C 0.752 175.380 174.600 0.048 0.000 0.995 127 S CA 0.231 58.477 58.200 0.077 0.000 0.934 127 S CB -0.521 62.710 63.200 0.051 0.000 0.771 127 S HN 0.412 nan 8.310 nan 0.000 0.522 128 E N 1.525 121.744 120.200 0.032 0.000 1.964 128 E HA 0.266 4.636 4.350 0.033 0.000 0.264 128 E C 0.446 177.066 176.600 0.033 0.000 1.120 128 E CA -0.314 56.096 56.400 0.018 0.000 1.061 128 E CB 0.893 30.590 29.700 -0.004 0.000 1.190 128 E HN 0.197 nan 8.360 nan 0.000 0.459 129 V N 2.039 121.983 119.914 0.050 0.000 2.358 129 V HA -0.239 3.901 4.120 0.033 0.000 0.246 129 V C 2.058 178.192 176.094 0.066 0.000 1.047 129 V CA 1.519 63.862 62.300 0.073 0.000 1.035 129 V CB -0.176 31.684 31.823 0.063 0.000 0.658 129 V HN 0.509 nan 8.190 nan 0.000 0.452 130 E N 0.012 120.242 120.200 0.050 0.000 2.106 130 E HA -0.186 4.184 4.350 0.033 0.000 0.192 130 E C 2.310 178.958 176.600 0.080 0.000 0.984 130 E CA 0.986 57.420 56.400 0.057 0.000 0.806 130 E CB -0.298 29.422 29.700 0.033 0.000 0.750 130 E HN 0.512 nan 8.360 nan 0.000 0.458 131 R N 0.575 121.110 120.500 0.058 0.000 2.075 131 R HA -0.074 4.286 4.340 0.033 0.000 0.232 131 R C 2.206 178.558 176.300 0.087 0.000 1.126 131 R CA 1.312 57.462 56.100 0.082 0.000 0.963 131 R CB -0.129 30.192 30.300 0.036 0.000 0.858 131 R HN 0.117 nan 8.270 nan 0.000 0.435 132 A N 0.939 123.766 122.820 0.011 0.000 1.902 132 A HA -0.188 4.151 4.320 0.033 0.000 0.217 132 A C 2.201 179.760 177.584 -0.042 0.000 1.181 132 A CA 1.483 53.472 52.037 -0.080 0.000 0.623 132 A CB -0.543 18.401 19.000 -0.093 0.000 0.818 132 A HN 0.361 nan 8.150 nan 0.000 0.443 133 R N -1.756 118.770 120.500 0.043 0.000 2.083 133 R HA -0.168 4.192 4.340 0.033 0.000 0.237 133 R C 1.954 178.281 176.300 0.045 0.000 1.137 133 R CA 1.892 58.017 56.100 0.043 0.000 0.951 133 R CB -0.473 29.873 30.300 0.077 0.000 0.851 133 R HN 0.550 nan 8.270 nan 0.000 0.434 134 F N 0.969 120.908 119.950 -0.018 0.000 2.095 134 F HA -0.182 4.365 4.527 0.033 0.000 0.298 134 F C 1.834 177.634 175.800 0.001 0.000 1.104 134 F CA 1.574 59.574 58.000 -0.001 0.000 1.232 134 F CB -0.326 38.677 39.000 0.004 0.000 0.987 134 F HN -0.022 nan 8.300 nan 0.000 0.475 135 I N 0.160 120.649 120.570 -0.135 0.000 2.208 135 I HA -0.338 3.852 4.170 0.033 0.000 0.245 135 I C 2.368 178.331 176.117 -0.256 0.000 1.097 135 I CA 1.632 62.812 61.300 -0.200 0.000 1.363 135 I CB -0.420 37.547 38.000 -0.054 0.000 1.051 135 I HN 0.179 nan 8.210 nan 0.000 0.413 136 I N 0.307 120.655 120.570 -0.371 0.000 2.286 136 I HA -0.235 3.955 4.170 0.033 0.000 0.245 136 I C 2.091 178.144 176.117 -0.107 0.000 1.104 136 I CA 1.014 62.032 61.300 -0.470 0.000 1.397 136 I CB -0.571 37.034 38.000 -0.658 0.000 1.072 136 I HN 0.255 nan 8.210 nan 0.000 0.417 137 N N 0.929 119.560 118.700 -0.115 0.000 2.205 137 N HA -0.233 4.527 4.740 0.033 0.000 0.186 137 N C 1.494 176.962 175.510 -0.070 0.000 1.015 137 N CA 1.683 54.708 53.050 -0.043 0.000 0.862 137 N CB -0.425 38.045 38.487 -0.028 0.000 0.986 137 N HN 0.441 nan 8.380 nan 0.000 0.429 138 D N -0.785 119.458 120.400 -0.261 0.000 2.149 138 D HA -0.136 4.524 4.640 0.033 0.000 0.201 138 D C 1.953 178.246 176.300 -0.013 0.000 0.972 138 D CA 0.669 54.497 54.000 -0.288 0.000 0.835 138 D CB -0.143 40.207 40.800 -0.749 0.000 0.966 138 D HN 0.327 nan 8.370 nan 0.000 0.476 139 W N 0.420 121.688 121.300 -0.054 0.000 2.355 139 W HA -0.178 4.501 4.660 0.032 0.000 0.309 139 W C 2.021 178.675 176.519 0.225 0.000 1.206 139 W CA 1.535 58.980 57.345 0.166 0.000 1.284 139 W CB -0.338 29.295 29.460 0.289 0.000 1.145 139 W HN -0.136 nan 8.180 nan 0.000 0.502 140 V N 1.244 121.435 119.914 0.461 0.000 2.287 140 V HA -0.332 3.808 4.120 0.033 0.000 0.248 140 V C 2.272 178.394 176.094 0.047 0.000 1.053 140 V CA 2.398 64.857 62.300 0.264 0.000 1.027 140 V CB -1.039 30.959 31.823 0.293 0.000 0.646 140 V HN 0.222 nan 8.190 nan 0.000 0.447 141 E N 0.041 120.253 120.200 0.019 0.000 2.058 141 E HA -0.249 4.120 4.350 0.033 0.000 0.194 141 E C 2.447 178.973 176.600 -0.124 0.000 0.997 141 E CA 1.314 57.693 56.400 -0.036 0.000 0.801 141 E CB -0.269 29.411 29.700 -0.033 0.000 0.746 141 E HN 0.543 nan 8.360 nan 0.000 0.450 142 R N -0.009 120.381 120.500 -0.183 0.000 2.120 142 R HA -0.091 4.269 4.340 0.033 0.000 0.234 142 R C 1.879 177.857 176.300 -0.536 0.000 1.123 142 R CA 0.947 56.846 56.100 -0.335 0.000 0.975 142 R CB -0.127 29.957 30.300 -0.359 0.000 0.866 142 R HN 0.353 nan 8.270 nan 0.000 0.446 143 H N -1.072 117.738 119.070 -0.434 0.000 2.551 143 H HA 0.084 4.660 4.556 0.033 0.000 0.271 143 H C 0.774 175.969 175.328 -0.222 0.000 0.984 143 H CA 1.008 56.795 56.048 -0.435 0.000 1.164 143 H CB 0.762 30.045 29.762 -0.798 0.000 1.437 143 H HN 0.225 nan 8.280 nan 0.000 0.550 144 T N -2.186 112.315 114.554 -0.089 0.000 3.288 144 T HA 0.146 4.516 4.350 0.033 0.000 0.293 144 T C 0.522 175.147 174.700 -0.126 0.000 1.008 144 T CA -0.605 61.507 62.100 0.021 0.000 0.929 144 T CB 0.178 69.120 68.868 0.123 0.000 1.152 144 T HN 0.061 nan 8.240 nan 0.000 0.517 145 K N 1.168 121.384 120.400 -0.307 0.000 3.035 145 K HA -0.211 4.129 4.320 0.033 0.000 0.262 145 K C 1.141 177.646 176.600 -0.159 0.000 1.024 145 K CA 0.542 56.629 56.287 -0.334 0.000 0.748 145 K CB -2.003 30.142 32.500 -0.591 0.000 1.247 145 K HN 1.083 nan 8.250 nan 0.000 0.482 146 G N -0.083 108.656 108.800 -0.101 0.000 2.155 146 G HA2 -0.357 3.623 3.960 0.033 0.000 0.257 146 G HA3 -0.357 3.623 3.960 0.033 0.000 0.257 146 G C 0.730 175.630 174.900 -0.001 0.000 0.983 146 G CA 0.631 45.704 45.100 -0.044 0.000 0.676 146 G HN 0.340 nan 8.290 nan 0.000 0.528 147 M N -0.602 119.015 119.600 0.028 0.000 2.334 147 M HA 0.256 4.756 4.480 0.033 0.000 0.266 147 M C 0.868 177.209 176.300 0.068 0.000 1.082 147 M CA 0.973 56.311 55.300 0.063 0.000 1.141 147 M CB -0.043 32.632 32.600 0.125 0.000 1.380 147 M HN 0.143 nan 8.290 nan 0.000 0.440 148 I N 2.305 122.922 120.570 0.078 0.000 2.337 148 I HA 0.214 4.404 4.170 0.033 0.000 0.285 148 I C -0.797 175.362 176.117 0.070 0.000 1.041 148 I CA -0.415 60.937 61.300 0.087 0.000 1.199 148 I CB -0.182 37.889 38.000 0.119 0.000 1.370 148 I HN 0.149 nan 8.210 nan 0.000 0.470 149 N N 5.899 124.635 118.700 0.060 0.000 2.430 149 N HA 0.284 5.043 4.740 0.033 0.000 0.292 149 N C -0.471 175.073 175.510 0.057 0.000 1.051 149 N CA -0.602 52.479 53.050 0.052 0.000 0.917 149 N CB 0.932 39.446 38.487 0.045 0.000 1.164 149 N HN 0.338 nan 8.380 nan 0.000 0.484 150 D N 0.966 121.400 120.400 0.057 0.000 2.689 150 D HA -0.173 4.487 4.640 0.033 0.000 0.237 150 D C 0.820 177.154 176.300 0.057 0.000 1.148 150 D CA 0.252 54.286 54.000 0.057 0.000 0.656 150 D CB -0.591 40.242 40.800 0.055 0.000 1.050 150 D HN 0.429 nan 8.370 nan 0.000 0.426 151 L N -0.455 120.806 121.223 0.064 0.000 2.043 151 L HA -0.149 4.211 4.340 0.033 0.000 0.212 151 L C 0.834 177.736 176.870 0.054 0.000 1.075 151 L CA 1.868 56.750 54.840 0.069 0.000 0.752 151 L CB 0.003 42.116 42.059 0.091 0.000 0.891 151 L HN 0.223 nan 8.230 nan 0.000 0.432 152 L N 0.480 121.730 121.223 0.045 0.000 2.259 152 L HA 0.455 4.814 4.340 0.033 0.000 0.288 152 L C 0.526 177.420 176.870 0.040 0.000 1.051 152 L CA 0.167 55.029 54.840 0.037 0.000 0.824 152 L CB 0.178 42.252 42.059 0.026 0.000 1.206 152 L HN 0.167 nan 8.230 nan 0.000 0.429 153 A N 4.176 127.017 122.820 0.036 0.000 2.280 153 A HA 0.437 4.777 4.320 0.033 0.000 0.268 153 A C 0.346 177.950 177.584 0.034 0.000 1.111 153 A CA -0.574 51.484 52.037 0.035 0.000 0.814 153 A CB 0.271 19.288 19.000 0.029 0.000 1.093 153 A HN 0.620 nan 8.150 nan 0.000 0.498 154 K N -0.464 119.955 120.400 0.032 0.000 2.485 154 K HA 0.285 4.624 4.320 0.033 0.000 0.277 154 K C 1.137 177.750 176.600 0.023 0.000 0.990 154 K CA 1.152 57.457 56.287 0.029 0.000 0.994 154 K CB 0.015 32.530 32.500 0.026 0.000 0.906 154 K HN 1.446 nan 8.250 nan 0.000 0.488 155 G N 1.309 110.122 108.800 0.022 0.000 2.184 155 G HA2 -0.381 3.599 3.960 0.033 0.000 0.264 155 G HA3 -0.381 3.599 3.960 0.033 0.000 0.264 155 G C 0.941 175.846 174.900 0.009 0.000 0.975 155 G CA 0.571 45.679 45.100 0.014 0.000 0.642 155 G HN 0.716 nan 8.290 nan 0.000 0.536 156 A N -0.937 121.892 122.820 0.016 0.000 1.969 156 A HA 0.494 4.834 4.320 0.033 0.000 0.218 156 A C 1.512 179.092 177.584 -0.008 0.000 1.169 156 A CA 2.567 54.610 52.037 0.010 0.000 0.635 156 A CB -0.246 18.767 19.000 0.021 0.000 0.810 156 A HN 2.004 nan 8.150 nan 0.000 0.445 157 V N -2.790 117.123 119.914 -0.001 0.000 3.130 157 V HA 0.768 4.908 4.120 0.033 0.000 0.310 157 V C -1.355 174.739 176.094 0.001 0.000 1.158 157 V CA -0.456 61.819 62.300 -0.042 0.000 1.029 157 V CB 2.127 33.944 31.823 -0.010 0.000 1.057 157 V HN 0.486 nan 8.190 nan 0.000 0.436 158 D N -0.904 119.480 120.400 -0.026 0.000 2.921 158 D HA 0.266 4.925 4.640 0.033 0.000 0.329 158 D C 0.668 176.993 176.300 0.042 0.000 1.293 158 D CA -0.031 53.982 54.000 0.022 0.000 0.964 158 D CB 1.100 41.901 40.800 0.002 0.000 1.435 158 D HN 0.589 nan 8.370 nan 0.000 0.548 159 E N -0.952 119.275 120.200 0.044 0.000 2.267 159 E HA -0.071 4.299 4.350 0.033 0.000 0.197 159 E C 1.470 178.087 176.600 0.028 0.000 0.998 159 E CA 0.865 57.298 56.400 0.056 0.000 0.830 159 E CB -0.035 29.685 29.700 0.034 0.000 0.751 159 E HN 0.393 nan 8.360 nan 0.000 0.491 160 L N 0.246 121.457 121.223 -0.019 0.000 2.529 160 L HA 0.064 4.424 4.340 0.033 0.000 0.223 160 L C 0.729 177.528 176.870 -0.119 0.000 1.113 160 L CA -0.035 54.775 54.840 -0.051 0.000 0.861 160 L CB 0.164 42.192 42.059 -0.050 0.000 1.012 160 L HN -0.043 nan 8.230 nan 0.000 0.461 161 T N 0.481 114.916 114.554 -0.199 0.000 2.928 161 T HA 0.055 4.425 4.350 0.033 0.000 0.305 161 T C 1.123 175.557 174.700 -0.443 0.000 1.035 161 T CA 0.075 61.897 62.100 -0.463 0.000 1.145 161 T CB 1.215 69.561 68.868 -0.871 0.000 0.963 161 T HN 0.152 nan 8.240 nan 0.000 0.545 162 R N 0.772 121.023 120.500 -0.415 0.000 2.412 162 R HA 0.314 4.674 4.340 0.033 0.000 0.212 162 R C -0.444 175.778 176.300 -0.130 0.000 0.878 162 R CA -0.081 55.907 56.100 -0.187 0.000 1.022 162 R CB 0.081 30.269 30.300 -0.187 0.000 1.265 162 R HN 0.467 nan 8.270 nan 0.000 0.620 163 L N 0.455 121.497 121.223 -0.302 0.000 2.493 163 L HA 0.521 4.881 4.340 0.033 0.000 0.265 163 L C -1.647 175.131 176.870 -0.154 0.000 0.954 163 L CA -0.757 53.977 54.840 -0.176 0.000 0.844 163 L CB 2.459 44.328 42.059 -0.316 0.000 1.302 163 L HN -0.256 nan 8.230 nan 0.000 0.405 164 V N 6.004 125.959 119.914 0.069 0.000 2.577 164 V HA 0.541 4.681 4.120 0.033 0.000 0.303 164 V C -0.413 175.792 176.094 0.185 0.000 1.042 164 V CA -0.467 61.914 62.300 0.134 0.000 0.872 164 V CB 1.839 33.783 31.823 0.202 0.000 0.998 164 V HN 0.664 nan 8.190 nan 0.000 0.423 165 L N 5.105 126.423 121.223 0.157 0.000 2.334 165 L HA 0.840 5.200 4.340 0.033 0.000 0.276 165 L C -0.905 176.089 176.870 0.206 0.000 1.014 165 L CA -0.822 54.091 54.840 0.122 0.000 0.815 165 L CB 2.152 44.244 42.059 0.055 0.000 1.268 165 L HN 0.371 nan 8.230 nan 0.000 0.428 166 V N 1.554 121.529 119.914 0.101 0.000 2.808 166 V HA 0.371 4.511 4.120 0.033 0.000 0.308 166 V C -0.871 175.294 176.094 0.117 0.000 1.099 166 V CA -0.793 61.584 62.300 0.128 0.000 0.920 166 V CB 2.243 34.128 31.823 0.103 0.000 1.014 166 V HN 0.790 nan 8.190 nan 0.000 0.425 167 N N 2.119 120.930 118.700 0.185 0.000 2.361 167 N HA 0.799 5.559 4.740 0.033 0.000 0.302 167 N C -0.696 175.004 175.510 0.317 0.000 1.074 167 N CA -0.131 53.048 53.050 0.215 0.000 0.850 167 N CB 2.025 40.568 38.487 0.093 0.000 1.228 167 N HN 1.036 nan 8.380 nan 0.000 0.491 168 A N 2.359 125.395 122.820 0.360 0.000 2.343 168 A HA 0.674 5.014 4.320 0.033 0.000 0.316 168 A C -1.670 176.046 177.584 0.220 0.000 1.104 168 A CA -0.544 51.652 52.037 0.265 0.000 0.768 168 A CB 0.775 19.880 19.000 0.174 0.000 1.213 168 A HN 0.640 nan 8.150 nan 0.000 0.456 169 L N 2.268 123.631 121.223 0.234 0.000 2.386 169 L HA 0.776 5.136 4.340 0.033 0.000 0.271 169 L C -1.452 175.638 176.870 0.367 0.000 0.993 169 L CA -0.544 54.448 54.840 0.254 0.000 0.819 169 L CB 1.674 43.832 42.059 0.164 0.000 1.294 169 L HN 0.678 nan 8.230 nan 0.000 0.414 170 Y N 5.303 125.730 120.300 0.211 0.000 2.442 170 Y HA 0.663 5.233 4.550 0.034 0.000 0.344 170 Y C -1.996 174.058 175.900 0.257 0.000 0.976 170 Y CA -1.014 57.208 58.100 0.203 0.000 1.040 170 Y CB 1.672 40.176 38.460 0.074 0.000 1.228 170 Y HN 0.597 nan 8.280 nan 0.000 0.451 171 F N 5.166 124.726 119.950 -0.651 0.000 2.547 171 F HA 0.663 5.210 4.527 0.032 0.000 0.316 171 F C -1.527 173.784 175.800 -0.815 0.000 1.121 171 F CA -0.683 57.020 58.000 -0.496 0.000 0.911 171 F CB 1.951 40.872 39.000 -0.132 0.000 1.179 171 F HN 0.377 nan 8.300 nan 0.000 0.443 172 S N 4.200 119.208 115.700 -1.154 0.000 2.756 172 S HA 0.794 5.284 4.470 0.033 0.000 0.303 172 S C -0.688 173.201 174.600 -1.186 0.000 1.135 172 S CA -0.064 57.477 58.200 -1.098 0.000 1.066 172 S CB 0.556 63.488 63.200 -0.447 0.000 1.008 172 S HN 1.233 nan 8.310 nan 0.000 0.482 173 G N 2.896 110.801 108.800 -1.492 0.000 2.482 173 G HA2 0.578 4.558 3.960 0.033 0.000 0.317 173 G HA3 0.578 4.558 3.960 0.033 0.000 0.317 173 G C -1.391 173.228 174.900 -0.469 0.000 1.241 173 G CA -0.570 43.929 45.100 -1.002 0.000 0.967 173 G HN 0.653 nan 8.290 nan 0.000 0.482 174 Q N 0.419 120.136 119.800 -0.138 0.000 2.293 174 Q HA 0.247 4.607 4.340 0.033 0.000 0.261 174 Q C -0.775 175.300 176.000 0.125 0.000 0.960 174 Q CA -0.600 55.159 55.803 -0.073 0.000 0.882 174 Q CB 2.169 30.895 28.738 -0.019 0.000 1.275 174 Q HN 0.656 nan 8.270 nan 0.000 0.445 175 W N 2.589 124.007 121.300 0.196 0.000 2.314 175 W HA -0.071 4.608 4.660 0.031 0.000 0.339 175 W C 1.504 178.052 176.519 0.048 0.000 1.293 175 W CA 0.037 57.424 57.345 0.070 0.000 1.288 175 W CB 0.474 29.968 29.460 0.056 0.000 1.186 175 W HN 0.701 nan 8.180 nan 0.000 0.566 176 K N 0.833 121.412 120.400 0.299 0.000 2.103 176 K HA -0.145 4.195 4.320 0.033 0.000 0.207 176 K C 0.557 177.212 176.600 0.091 0.000 1.048 176 K CA 1.541 57.922 56.287 0.156 0.000 0.930 176 K CB -0.065 32.495 32.500 0.101 0.000 0.716 176 K HN 0.500 nan 8.250 nan 0.000 0.444 177 T N 1.005 115.599 114.554 0.067 0.000 2.892 177 T HA 0.399 4.769 4.350 0.033 0.000 0.311 177 T C -2.740 171.944 174.700 -0.026 0.000 1.033 177 T CA -2.305 59.781 62.100 -0.024 0.000 0.991 177 T CB 1.719 70.496 68.868 -0.153 0.000 0.981 177 T HN -0.089 nan 8.240 nan 0.000 0.457 178 P HA 0.348 nan 4.420 nan 0.000 0.272 178 P C -0.517 176.773 177.300 -0.017 0.000 1.240 178 P CA -0.681 62.533 63.100 0.190 0.000 0.791 178 P CB 0.404 32.241 31.700 0.227 0.000 0.978 179 F N -0.401 119.593 119.950 0.073 0.000 2.389 179 F HA 0.246 4.794 4.527 0.034 0.000 0.337 179 F C 0.855 176.686 175.800 0.052 0.000 1.112 179 F CA -0.392 57.622 58.000 0.024 0.000 1.192 179 F CB 0.152 39.148 39.000 -0.007 0.000 1.185 179 F HN -0.050 nan 8.300 nan 0.000 0.552 180 L N 2.823 124.167 121.223 0.202 0.000 2.290 180 L HA 0.221 4.581 4.340 0.033 0.000 0.284 180 L C 1.155 178.109 176.870 0.140 0.000 1.078 180 L CA -0.304 54.617 54.840 0.135 0.000 0.815 180 L CB 0.982 43.091 42.059 0.083 0.000 1.162 180 L HN 0.736 nan 8.230 nan 0.000 0.435 181 E N 2.534 122.800 120.200 0.110 0.000 2.160 181 E HA -0.249 4.121 4.350 0.033 0.000 0.195 181 E C 2.001 178.648 176.600 0.078 0.000 0.991 181 E CA 1.394 57.846 56.400 0.086 0.000 0.810 181 E CB 0.054 29.792 29.700 0.062 0.000 0.742 181 E HN 0.873 nan 8.360 nan 0.000 0.466 182 A N 0.758 123.621 122.820 0.071 0.000 2.024 182 A HA -0.156 4.183 4.320 0.033 0.000 0.220 182 A C 2.200 179.829 177.584 0.076 0.000 1.164 182 A CA 1.437 53.510 52.037 0.060 0.000 0.643 182 A CB -0.161 18.866 19.000 0.045 0.000 0.806 182 A HN 0.086 nan 8.150 nan 0.000 0.451 183 S N -0.660 115.102 115.700 0.103 0.000 2.548 183 S HA 0.065 4.555 4.470 0.033 0.000 0.215 183 S C 0.611 175.352 174.600 0.236 0.000 0.976 183 S CA 0.133 58.411 58.200 0.131 0.000 0.908 183 S CB -0.046 63.232 63.200 0.131 0.000 0.781 183 S HN 0.565 nan 8.310 nan 0.000 0.519 184 T N 3.976 118.637 114.554 0.179 0.000 2.884 184 T HA 0.251 4.621 4.350 0.033 0.000 0.298 184 T C -0.241 174.562 174.700 0.170 0.000 0.998 184 T CA -0.169 62.010 62.100 0.131 0.000 1.124 184 T CB 0.268 69.152 68.868 0.027 0.000 0.931 184 T HN 0.433 nan 8.240 nan 0.000 0.531 185 H N 1.064 120.134 119.070 -0.002 0.000 2.930 185 H HA 0.380 4.956 4.556 0.034 0.000 0.371 185 H C -0.943 174.382 175.328 -0.004 0.000 1.169 185 H CA -1.177 54.871 56.048 -0.000 0.000 1.157 185 H CB 0.903 30.666 29.762 0.001 0.000 1.789 185 H HN 0.319 nan 8.280 nan 0.000 0.547 186 Q N 2.082 121.894 119.800 0.020 0.000 2.304 186 Q HA 0.277 4.636 4.340 0.033 0.000 0.260 186 Q C 0.002 176.006 176.000 0.006 0.000 0.965 186 Q CA -0.340 55.449 55.803 -0.023 0.000 0.898 186 Q CB 1.292 30.034 28.738 0.007 0.000 1.196 186 Q HN 0.431 nan 8.270 nan 0.000 0.402 187 R N 2.320 122.800 120.500 -0.033 0.000 2.589 187 R HA 0.584 4.944 4.340 0.033 0.000 0.293 187 R C -0.020 176.281 176.300 0.002 0.000 0.963 187 R CA -0.656 55.449 56.100 0.008 0.000 0.905 187 R CB 1.122 31.416 30.300 -0.011 0.000 1.144 187 R HN 0.516 nan 8.270 nan 0.000 0.459 198 S N 2.368 118.068 115.700 0.000 0.000 2.548 198 S HA 0.713 5.203 4.470 0.033 0.000 0.277 198 S C -0.620 173.974 174.600 -0.009 0.000 1.315 198 S CA -0.244 57.955 58.200 -0.003 0.000 1.050 198 S CB 0.857 64.058 63.200 0.001 0.000 0.918 198 S HN 0.631 nan 8.310 nan 0.000 0.497 199 V N 7.992 127.893 119.914 -0.021 0.000 2.525 199 V HA 0.448 4.588 4.120 0.033 0.000 0.299 199 V C -2.311 173.741 176.094 -0.069 0.000 1.034 199 V CA -1.832 60.450 62.300 -0.031 0.000 0.863 199 V CB 2.159 33.965 31.823 -0.028 0.000 0.999 199 V HN 0.752 nan 8.190 nan 0.000 0.423 200 P HA 0.277 nan 4.420 nan 0.000 0.276 200 P C -0.997 176.191 177.300 -0.187 0.000 1.253 200 P CA -0.168 62.860 63.100 -0.120 0.000 0.766 200 P CB 0.729 32.388 31.700 -0.069 0.000 0.845 201 M N 4.249 123.626 119.600 -0.371 0.000 2.243 201 M HA 0.412 4.912 4.480 0.033 0.000 0.324 201 M C 0.266 176.322 176.300 -0.407 0.000 1.031 201 M CA -0.573 54.477 55.300 -0.418 0.000 0.949 201 M CB 1.521 33.809 32.600 -0.521 0.000 1.615 201 M HN 0.303 nan 8.290 nan 0.000 0.430 202 M N 2.203 121.632 119.600 -0.285 0.000 2.288 202 M HA 0.759 5.259 4.480 0.033 0.000 0.334 202 M C -0.049 176.255 176.300 0.006 0.000 1.150 202 M CA -0.430 54.729 55.300 -0.235 0.000 1.118 202 M CB 1.624 33.781 32.600 -0.739 0.000 1.501 202 M HN 0.761 nan 8.290 nan 0.000 0.462 203 A N 2.321 125.321 122.820 0.299 0.000 2.520 203 A HA 0.695 5.035 4.320 0.033 0.000 0.298 203 A C -1.419 176.347 177.584 0.303 0.000 1.051 203 A CA -0.567 51.661 52.037 0.317 0.000 0.690 203 A CB 2.107 21.256 19.000 0.250 0.000 1.281 203 A HN 0.786 nan 8.150 nan 0.000 0.402 204 Q N 0.884 120.772 119.800 0.146 0.000 2.327 204 Q HA 0.544 4.904 4.340 0.033 0.000 0.265 204 Q C -1.344 174.674 176.000 0.030 0.000 0.993 204 Q CA -0.290 55.502 55.803 -0.018 0.000 0.885 204 Q CB 1.952 30.462 28.738 -0.381 0.000 1.379 204 Q HN 1.193 nan 8.270 nan 0.000 0.408 205 S N 3.518 119.230 115.700 0.021 0.000 2.456 205 S HA 0.757 5.247 4.470 0.033 0.000 0.316 205 S C -0.587 174.011 174.600 -0.004 0.000 1.089 205 S CA -0.422 57.803 58.200 0.042 0.000 1.101 205 S CB 1.230 64.433 63.200 0.005 0.000 0.995 205 S HN 0.653 nan 8.310 nan 0.000 0.468 206 N N 1.157 119.862 118.700 0.007 0.000 3.106 206 N HA 0.307 5.067 4.740 0.033 0.000 0.253 206 N C -1.671 173.627 175.510 -0.353 0.000 1.506 206 N CA -0.698 52.190 53.050 -0.270 0.000 0.876 206 N CB 1.497 39.645 38.487 -0.565 0.000 1.452 206 N HN 0.535 nan 8.380 nan 0.000 0.542 207 K N 1.185 121.308 120.400 -0.461 0.000 2.349 207 K HA 0.361 4.701 4.320 0.033 0.000 0.288 207 K C -0.843 175.418 176.600 -0.564 0.000 1.058 207 K CA 0.252 56.337 56.287 -0.337 0.000 0.953 207 K CB -0.150 32.212 32.500 -0.230 0.000 0.997 207 K HN 0.317 nan 8.250 nan 0.000 0.477 208 F N 0.944 120.862 119.950 -0.054 0.000 2.551 208 F HA 0.236 4.784 4.527 0.036 0.000 0.316 208 F C 0.701 176.517 175.800 0.027 0.000 1.089 208 F CA -1.102 56.874 58.000 -0.040 0.000 0.915 208 F CB 1.311 40.273 39.000 -0.063 0.000 1.186 208 F HN 0.312 nan 8.300 nan 0.000 0.456 209 N N 2.082 120.920 118.700 0.229 0.000 2.468 209 N HA 0.080 4.840 4.740 0.033 0.000 0.265 209 N C -1.345 174.327 175.510 0.271 0.000 1.199 209 N CA 0.291 53.462 53.050 0.202 0.000 0.928 209 N CB 0.434 39.014 38.487 0.155 0.000 1.059 209 N HN 0.622 nan 8.380 nan 0.000 0.467 210 Y N 0.511 120.872 120.300 0.103 0.000 2.534 210 Y HA 0.453 5.022 4.550 0.032 0.000 0.345 210 Y C -0.777 175.171 175.900 0.081 0.000 1.031 210 Y CA -0.580 57.566 58.100 0.078 0.000 1.022 210 Y CB 1.934 40.429 38.460 0.058 0.000 1.292 210 Y HN 0.393 nan 8.280 nan 0.000 0.459 211 T N 4.204 118.314 114.554 -0.740 0.000 2.923 211 T HA 0.328 4.698 4.350 0.033 0.000 0.311 211 T C -1.688 172.563 174.700 -0.749 0.000 1.183 211 T CA -0.614 61.178 62.100 -0.514 0.000 1.020 211 T CB 1.480 70.321 68.868 -0.045 0.000 1.165 211 T HN 0.800 nan 8.240 nan 0.000 0.482 212 E N 1.831 121.774 120.200 -0.429 0.000 2.250 212 E HA 0.694 5.064 4.350 0.033 0.000 0.269 212 E C -1.389 175.054 176.600 -0.262 0.000 1.018 212 E CA -0.558 55.647 56.400 -0.326 0.000 0.873 212 E CB 1.041 30.625 29.700 -0.193 0.000 1.134 212 E HN 0.487 nan 8.360 nan 0.000 0.403 213 F N -0.424 119.182 119.950 -0.573 0.000 2.693 213 F HA 0.273 4.820 4.527 0.033 0.000 0.309 213 F C -0.681 174.769 175.800 -0.583 0.000 1.129 213 F CA -0.394 57.229 58.000 -0.630 0.000 0.948 213 F CB 2.323 40.738 39.000 -0.974 0.000 1.315 213 F HN 0.388 nan 8.300 nan 0.000 0.447 214 T N -1.292 113.220 114.554 -0.071 0.000 2.893 214 T HA 0.599 4.969 4.350 0.033 0.000 0.293 214 T C -0.277 174.648 174.700 0.375 0.000 1.027 214 T CA -0.711 61.468 62.100 0.132 0.000 0.988 214 T CB 1.486 70.382 68.868 0.045 0.000 1.043 214 T HN 0.749 nan 8.240 nan 0.000 0.461 215 T N -0.091 114.727 114.554 0.440 0.000 2.788 215 T HA 0.349 4.719 4.350 0.033 0.000 0.287 215 T C -1.562 173.269 174.700 0.218 0.000 1.007 215 T CA -1.359 60.958 62.100 0.362 0.000 1.005 215 T CB -0.142 68.879 68.868 0.256 0.000 1.012 215 T HN 0.318 nan 8.240 nan 0.000 0.530 216 P HA -0.073 nan 4.420 nan 0.000 0.217 216 P C 0.725 178.081 177.300 0.093 0.000 1.148 216 P CA 1.103 64.272 63.100 0.115 0.000 0.834 216 P CB -0.016 31.740 31.700 0.092 0.000 0.783 217 D N -1.941 118.518 120.400 0.098 0.000 2.336 217 D HA 0.133 4.793 4.640 0.033 0.000 0.228 217 D C 1.359 177.710 176.300 0.085 0.000 1.120 217 D CA 0.650 54.698 54.000 0.080 0.000 0.839 217 D CB -0.283 40.560 40.800 0.072 0.000 0.932 217 D HN 0.132 nan 8.370 nan 0.000 0.509 218 G N 1.273 110.132 108.800 0.098 0.000 2.155 218 G HA2 -0.307 3.672 3.960 0.033 0.000 0.257 218 G HA3 -0.307 3.672 3.960 0.033 0.000 0.257 218 G C 0.348 175.316 174.900 0.112 0.000 0.983 218 G CA -0.162 44.991 45.100 0.088 0.000 0.676 218 G HN 0.359 nan 8.290 nan 0.000 0.528 219 L N 0.810 122.124 121.223 0.151 0.000 2.410 219 L HA 0.321 4.681 4.340 0.033 0.000 0.273 219 L C 0.899 177.921 176.870 0.253 0.000 1.144 219 L CA -0.102 54.850 54.840 0.186 0.000 0.863 219 L CB 0.548 42.715 42.059 0.179 0.000 1.140 219 L HN 0.240 nan 8.230 nan 0.000 0.463 220 E N 3.152 123.488 120.200 0.227 0.000 2.301 220 E HA 0.420 4.790 4.350 0.033 0.000 0.275 220 E C -1.294 175.515 176.600 0.348 0.000 1.030 220 E CA -0.313 56.204 56.400 0.196 0.000 0.852 220 E CB 1.465 31.207 29.700 0.071 0.000 1.060 220 E HN 0.444 nan 8.360 nan 0.000 0.401 221 Y N -0.722 119.654 120.300 0.127 0.000 2.725 221 Y HA 0.514 5.087 4.550 0.038 0.000 0.333 221 Y C -1.709 174.215 175.900 0.041 0.000 1.242 221 Y CA -1.373 56.794 58.100 0.111 0.000 1.059 221 Y CB 1.080 39.584 38.460 0.074 0.000 1.306 221 Y HN 0.444 nan 8.280 nan 0.000 0.454 222 D N -0.395 120.055 120.400 0.084 0.000 2.559 222 D HA 0.671 5.330 4.640 0.033 0.000 0.250 222 D C -1.665 174.526 176.300 -0.181 0.000 1.135 222 D CA -0.862 53.032 54.000 -0.178 0.000 0.955 222 D CB 2.235 42.988 40.800 -0.079 0.000 1.442 222 D HN 0.600 nan 8.370 nan 0.000 0.471 223 V N -0.093 119.591 119.914 -0.383 0.000 2.686 223 V HA 0.617 4.756 4.120 0.033 0.000 0.306 223 V C -0.706 175.307 176.094 -0.136 0.000 1.065 223 V CA -0.939 61.169 62.300 -0.321 0.000 0.894 223 V CB 1.714 33.143 31.823 -0.657 0.000 1.004 223 V HN 0.609 nan 8.190 nan 0.000 0.424 224 V N 3.410 123.334 119.914 0.017 0.000 2.769 224 V HA 0.631 4.771 4.120 0.033 0.000 0.312 224 V C -0.488 175.604 176.094 -0.002 0.000 1.061 224 V CA -0.327 62.021 62.300 0.080 0.000 0.931 224 V CB 2.016 33.878 31.823 0.065 0.000 1.010 224 V HN 1.046 nan 8.190 nan 0.000 0.433 225 E N 4.612 124.789 120.200 -0.039 0.000 2.133 225 E HA 0.465 4.835 4.350 0.033 0.000 0.274 225 E C -1.765 174.752 176.600 -0.139 0.000 0.930 225 E CA -0.755 55.475 56.400 -0.284 0.000 0.770 225 E CB 1.412 30.889 29.700 -0.372 0.000 1.104 225 E HN 0.561 nan 8.360 nan 0.000 0.403 226 L N 7.800 128.903 121.223 -0.201 0.000 2.264 226 L HA 0.384 4.744 4.340 0.033 0.000 0.287 226 L C -2.193 174.637 176.870 -0.067 0.000 1.039 226 L CA -1.992 52.764 54.840 -0.140 0.000 0.829 226 L CB 0.961 42.768 42.059 -0.420 0.000 1.211 226 L HN 0.444 nan 8.230 nan 0.000 0.427 227 P HA 0.192 nan 4.420 nan 0.000 0.277 227 P C -0.928 176.406 177.300 0.058 0.000 1.240 227 P CA -0.388 62.730 63.100 0.031 0.000 0.798 227 P CB 0.686 32.424 31.700 0.064 0.000 0.979 228 Y N -0.270 120.209 120.300 0.299 0.000 2.295 228 Y HA 0.135 4.705 4.550 0.032 0.000 0.331 228 Y C 1.718 177.721 175.900 0.171 0.000 1.311 228 Y CA -0.192 58.053 58.100 0.241 0.000 1.430 228 Y CB 0.268 38.845 38.460 0.195 0.000 1.339 228 Y HN 0.399 nan 8.280 nan 0.000 0.552 229 Q N 0.906 120.882 119.800 0.293 0.000 2.474 229 Q HA 0.429 4.788 4.340 0.033 0.000 0.256 229 Q C 0.466 176.570 176.000 0.174 0.000 1.048 229 Q CA 0.127 56.039 55.803 0.182 0.000 0.922 229 Q CB 0.497 29.315 28.738 0.133 0.000 1.288 229 Q HN 0.958 nan 8.270 nan 0.000 0.484 230 G N 1.450 110.330 108.800 0.134 0.000 2.615 230 G HA2 -0.204 3.776 3.960 0.033 0.000 0.218 230 G HA3 -0.204 3.776 3.960 0.033 0.000 0.218 230 G C -0.697 174.285 174.900 0.135 0.000 1.339 230 G CA -0.054 45.128 45.100 0.136 0.000 0.884 230 G HN 0.795 nan 8.290 nan 0.000 0.559 231 D N -0.053 120.432 120.400 0.141 0.000 2.582 231 D HA 0.240 4.900 4.640 0.033 0.000 0.246 231 D C 1.800 178.165 176.300 0.108 0.000 1.334 231 D CA 1.041 55.111 54.000 0.116 0.000 0.805 231 D CB 0.517 41.375 40.800 0.097 0.000 1.087 231 D HN 0.770 nan 8.370 nan 0.000 0.499 232 T N -2.617 112.011 114.554 0.124 0.000 2.964 232 T HA 0.289 4.659 4.350 0.033 0.000 0.249 232 T C 0.683 175.398 174.700 0.024 0.000 1.000 232 T CA 0.008 62.124 62.100 0.028 0.000 0.992 232 T CB 0.695 69.597 68.868 0.056 0.000 1.087 232 T HN -0.089 nan 8.240 nan 0.000 0.489 233 L N 2.641 123.969 121.223 0.174 0.000 2.346 233 L HA 0.794 5.154 4.340 0.033 0.000 0.274 233 L C -0.399 176.723 176.870 0.421 0.000 1.007 233 L CA -0.670 54.331 54.840 0.269 0.000 0.818 233 L CB 2.239 44.456 42.059 0.263 0.000 1.284 233 L HN 0.435 nan 8.230 nan 0.000 0.424 234 S N 2.304 118.251 115.700 0.412 0.000 2.588 234 S HA 0.640 5.130 4.470 0.033 0.000 0.269 234 S C -0.968 173.825 174.600 0.322 0.000 1.157 234 S CA -0.935 57.416 58.200 0.251 0.000 0.824 234 S CB 1.824 64.978 63.200 -0.076 0.000 1.126 234 S HN 0.608 nan 8.310 nan 0.000 0.464 235 M N 2.061 121.771 119.600 0.182 0.000 2.205 235 M HA 0.572 5.072 4.480 0.033 0.000 0.344 235 M C -2.035 174.310 176.300 0.074 0.000 1.085 235 M CA -0.681 54.822 55.300 0.337 0.000 1.001 235 M CB 0.446 33.343 32.600 0.496 0.000 1.626 235 M HN 0.706 nan 8.290 nan 0.000 0.442 236 F N 5.306 125.444 119.950 0.313 0.000 2.394 236 F HA 0.484 5.030 4.527 0.031 0.000 0.340 236 F C 0.071 176.027 175.800 0.260 0.000 1.105 236 F CA -0.608 57.547 58.000 0.259 0.000 1.124 236 F CB 0.915 40.113 39.000 0.329 0.000 1.145 236 F HN 0.349 nan 8.300 nan 0.000 0.505 237 I N 3.324 124.056 120.570 0.270 0.000 2.389 237 I HA 0.543 4.733 4.170 0.033 0.000 0.288 237 I C -0.416 175.758 176.117 0.094 0.000 0.999 237 I CA -0.588 60.840 61.300 0.213 0.000 1.129 237 I CB 1.266 39.285 38.000 0.031 0.000 1.288 237 I HN 0.619 nan 8.210 nan 0.000 0.444 238 A N 5.356 128.244 122.820 0.113 0.000 2.355 238 A HA 0.970 5.310 4.320 0.033 0.000 0.317 238 A C -0.692 176.947 177.584 0.092 0.000 1.094 238 A CA -0.461 51.554 52.037 -0.037 0.000 0.764 238 A CB 1.851 20.669 19.000 -0.303 0.000 1.230 238 A HN 0.894 nan 8.150 nan 0.000 0.448 239 A N 2.929 125.816 122.820 0.111 0.000 2.589 239 A HA 0.833 5.173 4.320 0.033 0.000 0.296 239 A C -3.293 174.403 177.584 0.185 0.000 1.062 239 A CA -1.412 50.705 52.037 0.134 0.000 0.686 239 A CB 1.135 20.227 19.000 0.154 0.000 1.282 239 A HN 0.499 nan 8.150 nan 0.000 0.404 240 P HA 0.175 nan 4.420 nan 0.000 0.268 240 P C 0.622 178.062 177.300 0.234 0.000 1.205 240 P CA -0.103 63.130 63.100 0.222 0.000 0.771 240 P CB 0.276 32.054 31.700 0.129 0.000 0.858 241 F N 2.595 122.628 119.950 0.139 0.000 2.069 241 F HA -0.157 4.391 4.527 0.035 0.000 0.298 241 F C 1.048 176.894 175.800 0.075 0.000 1.113 241 F CA 1.337 59.397 58.000 0.099 0.000 1.214 241 F CB -0.449 38.604 39.000 0.089 0.000 0.978 241 F HN 0.259 nan 8.300 nan 0.000 0.474 242 E N 1.133 121.337 120.200 0.006 0.000 2.257 242 E HA 0.040 4.409 4.350 0.033 0.000 0.278 242 E C 1.065 177.634 176.600 -0.052 0.000 1.049 242 E CA 0.023 56.359 56.400 -0.107 0.000 0.876 242 E CB 1.047 30.760 29.700 0.021 0.000 1.035 242 E HN 0.415 nan 8.360 nan 0.000 0.419 243 K N 3.814 124.158 120.400 -0.093 0.000 2.211 243 K HA -0.142 4.198 4.320 0.033 0.000 0.203 243 K C 0.435 177.025 176.600 -0.017 0.000 1.050 243 K CA 1.502 57.761 56.287 -0.046 0.000 0.945 243 K CB 0.180 32.645 32.500 -0.058 0.000 0.732 243 K HN 0.440 nan 8.250 nan 0.000 0.451 244 D N 0.770 121.164 120.400 -0.011 0.000 2.312 244 D HA -0.034 4.626 4.640 0.033 0.000 0.211 244 D C -0.024 176.297 176.300 0.035 0.000 0.964 244 D CA 0.387 54.393 54.000 0.010 0.000 0.877 244 D CB 0.106 40.913 40.800 0.012 0.000 0.924 244 D HN -0.004 nan 8.370 nan 0.000 0.515 245 V N 2.407 122.346 119.914 0.041 0.000 2.529 245 V HA -0.100 4.040 4.120 0.033 0.000 0.292 245 V C 0.808 176.942 176.094 0.067 0.000 1.028 245 V CA -0.162 62.179 62.300 0.068 0.000 1.074 245 V CB 0.366 32.236 31.823 0.078 0.000 0.958 245 V HN 0.286 nan 8.190 nan 0.000 0.481 246 H N 4.477 123.549 119.070 0.003 0.000 2.964 246 H HA -0.001 4.540 4.556 -0.026 0.000 0.328 246 H C 0.766 176.084 175.328 -0.016 0.000 1.030 246 H CA -0.249 55.792 56.048 -0.011 0.000 1.445 246 H CB 1.249 31.001 29.762 -0.016 0.000 1.449 246 H HN 0.583 nan 8.280 nan 0.000 0.581 247 L N 4.742 125.737 121.223 -0.380 0.000 2.353 247 L HA -0.196 4.164 4.340 0.033 0.000 0.220 247 L C 2.578 179.410 176.870 -0.064 0.000 1.133 247 L CA 1.707 56.429 54.840 -0.197 0.000 0.798 247 L CB -0.662 41.258 42.059 -0.232 0.000 0.922 247 L HN 0.749 nan 8.230 nan 0.000 0.445 248 S N -1.123 114.648 115.700 0.118 0.000 2.419 248 S HA -0.223 4.267 4.470 0.033 0.000 0.235 248 S C 2.185 176.831 174.600 0.076 0.000 1.019 248 S CA 0.868 59.164 58.200 0.160 0.000 0.982 248 S CB -0.858 62.502 63.200 0.266 0.000 0.789 248 S HN 0.463 nan 8.310 nan 0.000 0.490 249 A N 1.318 124.186 122.820 0.081 0.000 1.948 249 A HA 0.007 4.347 4.320 0.033 0.000 0.220 249 A C 2.174 179.747 177.584 -0.017 0.000 1.177 249 A CA 1.706 53.766 52.037 0.037 0.000 0.636 249 A CB -0.616 18.414 19.000 0.049 0.000 0.815 249 A HN 0.502 nan 8.150 nan 0.000 0.449 250 L N -0.678 120.506 121.223 -0.066 0.000 2.200 250 L HA -0.014 4.346 4.340 0.033 0.000 0.200 250 L C 2.908 179.766 176.870 -0.021 0.000 1.072 250 L CA 2.321 57.085 54.840 -0.127 0.000 0.787 250 L CB -1.098 40.837 42.059 -0.206 0.000 0.957 250 L HN 0.579 nan 8.230 nan 0.000 0.459 251 T N -3.471 111.084 114.554 0.001 0.000 2.915 251 T HA -0.132 4.237 4.350 0.033 0.000 0.269 251 T C 1.720 176.420 174.700 0.001 0.000 1.071 251 T CA 1.196 63.314 62.100 0.031 0.000 1.132 251 T CB -0.436 68.423 68.868 -0.014 0.000 0.878 251 T HN 0.127 nan 8.240 nan 0.000 0.479 252 N N 1.809 120.504 118.700 -0.008 0.000 2.443 252 N HA 0.040 4.800 4.740 0.033 0.000 0.184 252 N C 1.613 177.122 175.510 -0.001 0.000 1.037 252 N CA 1.154 54.197 53.050 -0.012 0.000 0.896 252 N CB -0.291 38.194 38.487 -0.002 0.000 0.959 252 N HN 0.835 nan 8.380 nan 0.000 0.442 253 I N -3.409 117.166 120.570 0.009 0.000 4.154 253 I HA 0.249 4.439 4.170 0.033 0.000 0.334 253 I C -0.240 175.870 176.117 -0.012 0.000 1.371 253 I CA -0.270 61.039 61.300 0.015 0.000 1.110 253 I CB 0.118 38.148 38.000 0.051 0.000 1.085 253 I HN -0.207 nan 8.210 nan 0.000 0.398 254 L N 4.073 125.286 121.223 -0.017 0.000 2.455 254 L HA 0.186 4.545 4.340 0.033 0.000 0.272 254 L C -0.645 176.170 176.870 -0.092 0.000 1.174 254 L CA 0.564 55.362 54.840 -0.071 0.000 0.869 254 L CB 0.342 42.404 42.059 0.006 0.000 1.130 254 L HN 0.504 nan 8.230 nan 0.000 0.474 255 D N 1.680 121.973 120.400 -0.178 0.000 2.692 255 D HA 0.273 4.933 4.640 0.033 0.000 0.290 255 D C 0.150 176.312 176.300 -0.231 0.000 1.281 255 D CA -0.187 53.726 54.000 -0.145 0.000 0.804 255 D CB 1.109 41.857 40.800 -0.088 0.000 1.331 255 D HN 0.299 nan 8.370 nan 0.000 0.432 256 A N -0.172 122.545 122.820 -0.171 0.000 1.940 256 A HA -0.176 4.164 4.320 0.033 0.000 0.219 256 A C 1.852 179.281 177.584 -0.259 0.000 1.176 256 A CA 2.396 54.308 52.037 -0.208 0.000 0.631 256 A CB -0.916 18.003 19.000 -0.135 0.000 0.814 256 A HN 0.662 nan 8.150 nan 0.000 0.446 257 E N -0.148 119.928 120.200 -0.206 0.000 2.077 257 E HA -0.171 4.199 4.350 0.033 0.000 0.193 257 E C 1.757 178.200 176.600 -0.261 0.000 0.989 257 E CA 1.368 57.656 56.400 -0.187 0.000 0.800 257 E CB -0.448 29.187 29.700 -0.108 0.000 0.746 257 E HN 0.416 nan 8.360 nan 0.000 0.452 258 L N 0.366 121.379 121.223 -0.350 0.000 2.046 258 L HA -0.047 4.313 4.340 0.033 0.000 0.208 258 L C 2.179 178.439 176.870 -1.016 0.000 1.077 258 L CA 1.660 56.171 54.840 -0.549 0.000 0.747 258 L CB -0.419 41.321 42.059 -0.531 0.000 0.896 258 L HN 0.289 nan 8.230 nan 0.000 0.432 259 I N -0.951 119.025 120.570 -0.990 0.000 2.286 259 I HA -0.274 3.916 4.170 0.033 0.000 0.248 259 I C 2.602 178.385 176.117 -0.555 0.000 1.115 259 I CA 1.034 61.715 61.300 -1.031 0.000 1.392 259 I CB -0.424 37.113 38.000 -0.772 0.000 1.065 259 I HN 0.236 nan 8.210 nan 0.000 0.418 260 R N 0.312 120.589 120.500 -0.372 0.000 2.105 260 R HA -0.226 4.134 4.340 0.033 0.000 0.239 260 R C 2.327 178.572 176.300 -0.092 0.000 1.135 260 R CA 1.437 57.421 56.100 -0.193 0.000 0.967 260 R CB -0.264 29.939 30.300 -0.161 0.000 0.861 260 R HN 0.312 nan 8.270 nan 0.000 0.442 261 Q N -0.495 119.234 119.800 -0.118 0.000 2.079 261 Q HA -0.146 4.213 4.340 0.033 0.000 0.200 261 Q C 1.561 177.714 176.000 0.255 0.000 0.974 261 Q CA 1.433 57.289 55.803 0.089 0.000 0.840 261 Q CB -0.064 28.757 28.738 0.137 0.000 0.898 261 Q HN 0.290 nan 8.270 nan 0.000 0.430 262 W N 0.738 121.938 121.300 -0.167 0.000 2.329 262 W HA -0.157 4.521 4.660 0.030 0.000 0.324 262 W C 2.230 178.781 176.519 0.054 0.000 1.222 262 W CA 1.317 58.568 57.345 -0.156 0.000 1.270 262 W CB -1.409 27.881 29.460 -0.284 0.000 1.167 262 W HN 0.155 nan 8.180 nan 0.000 0.467 263 K N 0.250 120.813 120.400 0.271 0.000 2.009 263 K HA -0.115 4.225 4.320 0.033 0.000 0.210 263 K C 2.240 178.971 176.600 0.219 0.000 1.049 263 K CA 2.253 58.716 56.287 0.292 0.000 0.929 263 K CB -1.323 31.312 32.500 0.224 0.000 0.714 263 K HN 0.066 nan 8.250 nan 0.000 0.440 264 G N 0.167 109.065 108.800 0.163 0.000 2.479 264 G HA2 -0.234 3.745 3.960 0.033 0.000 0.220 264 G HA3 -0.234 3.745 3.960 0.033 0.000 0.220 264 G C 1.449 176.438 174.900 0.149 0.000 1.115 264 G CA 0.730 45.910 45.100 0.133 0.000 0.757 264 G HN 0.343 nan 8.290 nan 0.000 0.560 265 N N -0.362 118.465 118.700 0.210 0.000 2.325 265 N HA 0.179 4.939 4.740 0.033 0.000 0.182 265 N C 0.905 176.502 175.510 0.145 0.000 1.088 265 N CA -0.078 53.083 53.050 0.185 0.000 0.879 265 N CB 0.112 38.771 38.487 0.286 0.000 0.983 265 N HN 0.306 nan 8.380 nan 0.000 0.471 266 M N 0.371 120.071 119.600 0.167 0.000 2.226 266 M HA 0.061 4.561 4.480 0.033 0.000 0.324 266 M C 0.491 176.864 176.300 0.122 0.000 1.112 266 M CA 0.381 55.767 55.300 0.144 0.000 1.176 266 M CB 1.086 33.797 32.600 0.184 0.000 1.430 266 M HN -0.006 nan 8.290 nan 0.000 0.462 267 T N -0.850 113.781 114.554 0.128 0.000 2.903 267 T HA 0.521 4.891 4.350 0.033 0.000 0.299 267 T C -0.775 174.001 174.700 0.128 0.000 1.093 267 T CA -1.207 60.959 62.100 0.110 0.000 1.002 267 T CB 1.827 70.749 68.868 0.089 0.000 1.127 267 T HN 0.749 nan 8.240 nan 0.000 0.488 268 R N 1.481 122.033 120.500 0.086 0.000 2.265 268 R HA 0.717 5.077 4.340 0.033 0.000 0.314 268 R C -1.368 174.960 176.300 0.048 0.000 1.053 268 R CA -0.585 55.555 56.100 0.067 0.000 0.931 268 R CB 0.158 30.474 30.300 0.025 0.000 1.024 268 R HN 0.715 nan 8.270 nan 0.000 0.457 269 L N 5.221 126.473 121.223 0.049 0.000 2.518 269 L HA 0.431 4.791 4.340 0.033 0.000 0.257 269 L C -2.465 174.403 176.870 -0.003 0.000 0.980 269 L CA -2.328 52.523 54.840 0.018 0.000 0.837 269 L CB 3.030 45.106 42.059 0.029 0.000 1.410 269 L HN 0.619 nan 8.230 nan 0.000 0.410 270 P HA 0.236 nan 4.420 nan 0.000 0.277 270 P C -1.303 175.987 177.300 -0.017 0.000 1.354 270 P CA -0.283 62.797 63.100 -0.032 0.000 0.891 270 P CB 0.302 31.976 31.700 -0.043 0.000 1.058 271 R N 2.717 123.247 120.500 0.051 0.000 2.711 271 R HA 0.496 4.855 4.340 0.033 0.000 0.284 271 R C -0.521 175.806 176.300 0.046 0.000 0.968 271 R CA -1.358 54.750 56.100 0.013 0.000 0.924 271 R CB 1.379 31.673 30.300 -0.009 0.000 1.162 271 R HN 0.309 nan 8.270 nan 0.000 0.465 272 L N 3.120 124.331 121.223 -0.020 0.000 2.325 272 L HA 0.248 4.608 4.340 0.033 0.000 0.284 272 L C -0.863 175.974 176.870 -0.054 0.000 1.089 272 L CA -0.416 54.416 54.840 -0.013 0.000 0.836 272 L CB 0.412 42.459 42.059 -0.020 0.000 1.184 272 L HN 0.447 nan 8.230 nan 0.000 0.444 273 L N 6.908 128.090 121.223 -0.068 0.000 2.272 273 L HA 0.541 4.901 4.340 0.033 0.000 0.289 273 L C -0.846 176.009 176.870 -0.024 0.000 1.032 273 L CA -0.011 54.722 54.840 -0.178 0.000 0.810 273 L CB 0.779 42.531 42.059 -0.511 0.000 1.205 273 L HN 0.415 nan 8.230 nan 0.000 0.422 274 I N 6.467 127.001 120.570 -0.061 0.000 2.354 274 I HA 0.439 4.629 4.170 0.033 0.000 0.292 274 I C -0.666 175.362 176.117 -0.149 0.000 0.989 274 I CA -0.629 60.647 61.300 -0.039 0.000 1.188 274 I CB 1.411 39.396 38.000 -0.026 0.000 1.342 274 I HN 0.520 nan 8.210 nan 0.000 0.457 275 L N 9.541 130.639 121.223 -0.208 0.000 2.464 275 L HA 0.667 5.027 4.340 0.033 0.000 0.266 275 L C -2.604 174.112 176.870 -0.256 0.000 0.965 275 L CA -1.532 53.123 54.840 -0.307 0.000 0.833 275 L CB 2.567 44.394 42.059 -0.387 0.000 1.296 275 L HN 0.243 nan 8.230 nan 0.000 0.405 276 P HA 0.076 nan 4.420 nan 0.000 0.271 276 P C -1.367 176.008 177.300 0.125 0.000 1.216 276 P CA -0.286 62.807 63.100 -0.013 0.000 0.776 276 P CB 0.601 32.322 31.700 0.035 0.000 0.881 277 K N 4.233 124.647 120.400 0.024 0.000 2.316 277 K HA 0.351 4.691 4.320 0.033 0.000 0.289 277 K C -0.725 175.973 176.600 0.164 0.000 1.070 277 K CA -0.326 55.973 56.287 0.019 0.000 0.928 277 K CB -0.320 32.144 32.500 -0.060 0.000 1.039 277 K HN 0.481 nan 8.250 nan 0.000 0.480 278 F N -0.271 119.649 119.950 -0.050 0.000 2.668 278 F HA 0.543 5.095 4.527 0.041 0.000 0.309 278 F C -1.354 174.424 175.800 -0.037 0.000 1.117 278 F CA -0.982 57.001 58.000 -0.029 0.000 0.951 278 F CB 1.558 40.559 39.000 0.000 0.000 1.323 278 F HN 0.164 nan 8.300 nan 0.000 0.451 279 S N 2.119 117.838 115.700 0.032 0.000 2.526 279 S HA 0.804 5.294 4.470 0.033 0.000 0.293 279 S C -1.823 172.850 174.600 0.122 0.000 1.092 279 S CA -0.575 57.590 58.200 -0.057 0.000 0.980 279 S CB 1.809 64.983 63.200 -0.044 0.000 1.048 279 S HN 0.769 nan 8.310 nan 0.000 0.483 280 L N 2.699 123.987 121.223 0.107 0.000 2.431 280 L HA 0.677 5.037 4.340 0.033 0.000 0.266 280 L C -0.995 175.948 176.870 0.122 0.000 0.978 280 L CA -0.182 54.767 54.840 0.183 0.000 0.822 280 L CB 1.904 44.158 42.059 0.325 0.000 1.310 280 L HN 0.779 nan 8.230 nan 0.000 0.409 281 E N 2.306 122.574 120.200 0.113 0.000 2.260 281 E HA 0.668 5.038 4.350 0.033 0.000 0.266 281 E C -1.527 175.139 176.600 0.110 0.000 0.887 281 E CA -0.438 56.023 56.400 0.101 0.000 0.777 281 E CB 1.489 31.232 29.700 0.071 0.000 1.205 281 E HN 0.735 nan 8.360 nan 0.000 0.414 282 T N 0.855 115.488 114.554 0.131 0.000 2.906 282 T HA 0.544 4.914 4.350 0.033 0.000 0.295 282 T C -0.649 174.125 174.700 0.123 0.000 1.061 282 T CA -0.943 61.232 62.100 0.125 0.000 1.000 282 T CB 1.792 70.749 68.868 0.148 0.000 1.103 282 T HN 0.439 nan 8.240 nan 0.000 0.486 283 E N 1.225 121.483 120.200 0.098 0.000 2.246 283 E HA 0.578 4.948 4.350 0.033 0.000 0.266 283 E C -1.064 175.582 176.600 0.076 0.000 0.880 283 E CA -1.054 55.401 56.400 0.091 0.000 0.762 283 E CB 1.908 31.648 29.700 0.068 0.000 1.180 283 E HN 0.781 nan 8.360 nan 0.000 0.416 284 V N 1.031 120.999 119.914 0.090 0.000 2.769 284 V HA 0.485 4.625 4.120 0.033 0.000 0.312 284 V C -0.273 175.838 176.094 0.029 0.000 1.061 284 V CA -1.098 61.236 62.300 0.058 0.000 0.931 284 V CB 1.689 33.562 31.823 0.083 0.000 1.010 284 V HN 0.777 nan 8.190 nan 0.000 0.433 285 D N 2.271 122.662 120.400 -0.016 0.000 2.424 285 D HA 0.247 4.907 4.640 0.033 0.000 0.244 285 D C 0.564 176.830 176.300 -0.056 0.000 1.134 285 D CA 0.250 54.220 54.000 -0.051 0.000 0.881 285 D CB 1.116 41.868 40.800 -0.080 0.000 1.191 285 D HN 0.625 nan 8.370 nan 0.000 0.445 286 L N 3.197 124.376 121.223 -0.072 0.000 2.731 286 L HA 0.232 4.592 4.340 0.033 0.000 0.240 286 L C 2.233 179.050 176.870 -0.089 0.000 1.120 286 L CA -0.327 54.483 54.840 -0.050 0.000 0.913 286 L CB -0.115 41.931 42.059 -0.021 0.000 1.213 286 L HN 0.478 nan 8.230 nan 0.000 0.515 287 R N 1.063 121.421 120.500 -0.238 0.000 2.073 287 R HA -0.121 4.239 4.340 0.033 0.000 0.234 287 R C 2.161 178.227 176.300 -0.389 0.000 1.134 287 R CA 1.752 57.487 56.100 -0.609 0.000 0.952 287 R CB -0.386 29.374 30.300 -0.899 0.000 0.850 287 R HN 0.290 nan 8.270 nan 0.000 0.433 288 G N 1.044 109.698 108.800 -0.243 0.000 2.480 288 G HA2 -0.204 3.776 3.960 0.033 0.000 0.216 288 G HA3 -0.204 3.776 3.960 0.033 0.000 0.216 288 G C -0.967 173.877 174.900 -0.092 0.000 1.200 288 G CA 0.697 45.706 45.100 -0.153 0.000 0.782 288 G HN 0.358 nan 8.290 nan 0.000 0.554 289 P HA -0.068 nan 4.420 nan 0.000 0.215 289 P C 2.108 179.413 177.300 0.008 0.000 1.157 289 P CA 0.841 63.900 63.100 -0.068 0.000 0.874 289 P CB -0.151 31.488 31.700 -0.102 0.000 0.790 290 L N -0.715 120.558 121.223 0.084 0.000 2.046 290 L HA -0.178 4.182 4.340 0.033 0.000 0.208 290 L C 2.397 179.406 176.870 0.232 0.000 1.077 290 L CA 1.588 56.567 54.840 0.231 0.000 0.747 290 L CB -0.952 41.369 42.059 0.436 0.000 0.896 290 L HN 0.028 nan 8.230 nan 0.000 0.432 291 E N 0.017 120.323 120.200 0.176 0.000 2.051 291 E HA -0.201 4.169 4.350 0.033 0.000 0.192 291 E C 2.161 178.809 176.600 0.081 0.000 0.991 291 E CA 0.918 57.403 56.400 0.141 0.000 0.799 291 E CB 0.049 29.779 29.700 0.051 0.000 0.748 291 E HN 0.284 nan 8.360 nan 0.000 0.449 292 K N 0.461 120.883 120.400 0.036 0.000 2.209 292 K HA -0.079 4.261 4.320 0.033 0.000 0.204 292 K C 1.811 178.432 176.600 0.034 0.000 1.048 292 K CA 0.733 57.029 56.287 0.015 0.000 0.940 292 K CB -0.053 32.435 32.500 -0.021 0.000 0.729 292 K HN 0.231 nan 8.250 nan 0.000 0.451 293 L N 0.090 121.351 121.223 0.063 0.000 2.627 293 L HA 0.094 4.454 4.340 0.033 0.000 0.232 293 L C 0.783 177.720 176.870 0.111 0.000 1.150 293 L CA 0.231 55.125 54.840 0.090 0.000 0.917 293 L CB -0.092 42.040 42.059 0.123 0.000 1.104 293 L HN 0.349 nan 8.230 nan 0.000 0.445 294 G N 0.151 109.009 108.800 0.096 0.000 2.134 294 G HA2 -0.271 3.709 3.960 0.033 0.000 0.209 294 G HA3 -0.271 3.709 3.960 0.033 0.000 0.209 294 G C 0.212 175.164 174.900 0.086 0.000 0.993 294 G CA -0.230 44.917 45.100 0.078 0.000 0.669 294 G HN 0.312 nan 8.290 nan 0.000 0.519 295 M N 0.915 120.596 119.600 0.134 0.000 3.074 295 M HA 0.261 4.761 4.480 0.033 0.000 0.252 295 M C -1.463 174.962 176.300 0.209 0.000 1.181 295 M CA -1.513 53.866 55.300 0.132 0.000 0.771 295 M CB 1.386 34.072 32.600 0.143 0.000 1.375 295 M HN 0.016 nan 8.290 nan 0.000 0.512 296 P HA -0.002 nan 4.420 nan 0.000 0.227 296 P C 0.289 177.729 177.300 0.233 0.000 1.161 296 P CA 1.005 64.274 63.100 0.281 0.000 0.788 296 P CB 0.332 32.131 31.700 0.165 0.000 0.822 297 D N 0.631 121.087 120.400 0.094 0.000 2.144 297 D HA -0.137 4.523 4.640 0.033 0.000 0.199 297 D C 2.137 178.447 176.300 0.016 0.000 0.984 297 D CA 1.222 55.249 54.000 0.045 0.000 0.834 297 D CB -0.849 39.947 40.800 -0.008 0.000 0.955 297 D HN 0.266 nan 8.370 nan 0.000 0.465 298 M N -1.290 118.246 119.600 -0.107 0.000 2.267 298 M HA -0.112 4.387 4.480 0.033 0.000 0.263 298 M C 1.033 177.262 176.300 -0.117 0.000 1.063 298 M CA 1.442 56.648 55.300 -0.155 0.000 1.090 298 M CB -0.581 31.787 32.600 -0.388 0.000 1.392 298 M HN -0.140 nan 8.290 nan 0.000 0.422 299 F N 1.062 121.111 119.950 0.166 0.000 2.811 299 F HA 0.249 4.797 4.527 0.035 0.000 0.301 299 F C 1.316 177.165 175.800 0.082 0.000 1.151 299 F CA -0.075 58.001 58.000 0.128 0.000 1.412 299 F CB -0.277 38.788 39.000 0.109 0.000 1.113 299 F HN 0.150 nan 8.300 nan 0.000 0.579 300 S N 0.301 116.120 115.700 0.198 0.000 2.429 300 S HA 0.613 5.103 4.470 0.033 0.000 0.302 300 S C 1.097 175.752 174.600 0.091 0.000 1.115 300 S CA -0.294 57.985 58.200 0.132 0.000 1.095 300 S CB 1.284 64.547 63.200 0.106 0.000 0.987 300 S HN 0.205 nan 8.310 nan 0.000 0.474 301 A N 3.781 126.639 122.820 0.063 0.000 2.121 301 A HA 0.011 4.351 4.320 0.033 0.000 0.218 301 A C 1.986 179.590 177.584 0.034 0.000 1.154 301 A CA 1.809 53.867 52.037 0.035 0.000 0.679 301 A CB -0.850 18.159 19.000 0.015 0.000 0.795 301 A HN 0.970 nan 8.150 nan 0.000 0.458 302 T N -3.476 111.102 114.554 0.039 0.000 3.015 302 T HA 0.288 4.658 4.350 0.033 0.000 0.250 302 T C 1.554 176.274 174.700 0.033 0.000 1.057 302 T CA 0.547 62.665 62.100 0.031 0.000 1.066 302 T CB -0.125 68.758 68.868 0.024 0.000 0.959 302 T HN 0.255 nan 8.240 nan 0.000 0.488 303 L N 0.693 121.942 121.223 0.043 0.000 2.408 303 L HA 0.499 4.859 4.340 0.033 0.000 0.215 303 L C 1.655 178.545 176.870 0.032 0.000 1.081 303 L CA -0.207 54.654 54.840 0.034 0.000 0.840 303 L CB -0.366 41.716 42.059 0.038 0.000 1.002 303 L HN 0.253 nan 8.230 nan 0.000 0.468 304 A N 0.479 123.337 122.820 0.064 0.000 2.498 304 A HA 0.068 4.407 4.320 0.033 0.000 0.239 304 A C -0.382 177.242 177.584 0.066 0.000 1.068 304 A CA 0.208 52.296 52.037 0.085 0.000 0.766 304 A CB 0.045 19.197 19.000 0.253 0.000 1.003 304 A HN 0.150 nan 8.150 nan 0.000 0.497 305 D N 1.722 122.083 120.400 -0.065 0.000 2.454 305 D HA 0.433 5.092 4.640 0.033 0.000 0.247 305 D C -1.195 174.953 176.300 -0.253 0.000 1.129 305 D CA -0.179 53.770 54.000 -0.086 0.000 0.877 305 D CB 0.294 41.025 40.800 -0.115 0.000 1.082 305 D HN 0.314 nan 8.370 nan 0.000 0.537 306 F N 1.634 121.534 119.950 -0.084 0.000 2.850 306 F HA 0.082 4.629 4.527 0.032 0.000 0.306 306 F C 2.069 177.813 175.800 -0.095 0.000 1.162 306 F CA -0.197 57.740 58.000 -0.104 0.000 1.327 306 F CB 0.723 39.640 39.000 -0.138 0.000 0.953 306 F HN 0.263 nan 8.300 nan 0.000 0.507 307 T N -4.766 109.800 114.554 0.020 0.000 3.118 307 T HA -0.063 4.306 4.350 0.033 0.000 0.260 307 T C 2.036 176.742 174.700 0.010 0.000 1.139 307 T CA 0.905 63.012 62.100 0.011 0.000 1.085 307 T CB -0.061 68.808 68.868 0.001 0.000 0.934 307 T HN 0.101 nan 8.240 nan 0.000 0.518 308 S N 0.818 116.529 115.700 0.018 0.000 2.428 308 S HA 0.130 4.619 4.470 0.033 0.000 0.230 308 S C 1.595 176.239 174.600 0.073 0.000 1.014 308 S CA 0.538 58.792 58.200 0.090 0.000 0.957 308 S CB -0.254 63.028 63.200 0.136 0.000 0.784 308 S HN 0.432 nan 8.310 nan 0.000 0.499 309 L N 0.186 121.349 121.223 -0.100 0.000 2.189 309 L HA 0.370 4.730 4.340 0.033 0.000 0.199 309 L C 0.537 177.202 176.870 -0.341 0.000 1.074 309 L CA 0.987 55.527 54.840 -0.500 0.000 0.783 309 L CB 0.130 41.952 42.059 -0.395 0.000 0.955 309 L HN 0.174 nan 8.230 nan 0.000 0.460 310 S N -1.355 114.256 115.700 -0.148 0.000 2.535 310 S HA 0.422 4.912 4.470 0.033 0.000 0.272 310 S C -1.144 173.433 174.600 -0.039 0.000 1.149 310 S CA -0.099 58.043 58.200 -0.097 0.000 0.888 310 S CB 1.147 64.278 63.200 -0.115 0.000 1.110 310 S HN 0.435 nan 8.310 nan 0.000 0.463 311 D N 2.176 122.561 120.400 -0.026 0.000 2.571 311 D HA 0.131 4.791 4.640 0.033 0.000 0.239 311 D C 0.908 177.200 176.300 -0.013 0.000 1.267 311 D CA -0.249 53.744 54.000 -0.012 0.000 0.823 311 D CB 0.180 40.977 40.800 -0.005 0.000 1.056 311 D HN 0.529 nan 8.370 nan 0.000 0.494 312 Q N 0.665 120.452 119.800 -0.022 0.000 2.269 312 Q HA 0.016 4.376 4.340 0.033 0.000 0.201 312 Q C -0.018 175.971 176.000 -0.019 0.000 0.946 312 Q CA 0.648 56.440 55.803 -0.019 0.000 0.877 312 Q CB 0.456 29.179 28.738 -0.025 0.000 0.963 312 Q HN 0.401 nan 8.270 nan 0.000 0.472 313 E N -0.080 120.107 120.200 -0.023 0.000 2.363 313 E HA 0.101 4.470 4.350 0.033 0.000 0.281 313 E C -1.783 174.804 176.600 -0.021 0.000 0.953 313 E CA -0.667 55.718 56.400 -0.025 0.000 0.778 313 E CB 1.555 31.233 29.700 -0.038 0.000 1.220 313 E HN 0.034 nan 8.360 nan 0.000 0.431 314 Q N 3.170 122.960 119.800 -0.016 0.000 2.311 314 Q HA 0.311 4.671 4.340 0.033 0.000 0.272 314 Q C -1.447 174.530 176.000 -0.038 0.000 1.012 314 Q CA 0.612 56.411 55.803 -0.008 0.000 0.891 314 Q CB 0.457 29.194 28.738 -0.002 0.000 1.201 314 Q HN 0.451 nan 8.270 nan 0.000 0.391 315 L N 2.622 123.821 121.223 -0.039 0.000 2.350 315 L HA 0.800 5.160 4.340 0.033 0.000 0.260 315 L C -0.454 176.293 176.870 -0.205 0.000 1.015 315 L CA -0.766 53.966 54.840 -0.180 0.000 0.821 315 L CB 2.402 44.277 42.059 -0.307 0.000 1.370 315 L HN 0.905 nan 8.230 nan 0.000 0.416 316 S N -0.207 115.270 115.700 -0.372 0.000 2.672 316 S HA 0.791 5.281 4.470 0.033 0.000 0.271 316 S C -1.072 173.284 174.600 -0.405 0.000 1.171 316 S CA -0.775 57.239 58.200 -0.309 0.000 0.817 316 S CB 1.719 64.906 63.200 -0.021 0.000 1.150 316 S HN 0.592 nan 8.310 nan 0.000 0.478 317 V N -1.310 118.484 119.914 -0.200 0.000 2.628 317 V HA 0.943 5.083 4.120 0.033 0.000 0.306 317 V C 1.011 177.227 176.094 0.203 0.000 1.045 317 V CA -0.282 61.988 62.300 -0.050 0.000 0.905 317 V CB 0.790 32.624 31.823 0.018 0.000 0.997 317 V HN 1.456 nan 8.190 nan 0.000 0.436 318 A N 2.491 125.418 122.820 0.179 0.000 1.935 318 A HA 0.291 4.631 4.320 0.033 0.000 0.214 318 A C 0.926 178.668 177.584 0.263 0.000 1.178 318 A CA 1.256 53.403 52.037 0.183 0.000 0.640 318 A CB -0.052 18.984 19.000 0.060 0.000 0.825 318 A HN 1.017 nan 8.150 nan 0.000 0.447 319 Q N -3.493 116.489 119.800 0.304 0.000 2.804 319 Q HA 0.579 4.939 4.340 0.033 0.000 0.302 319 Q C -2.111 173.992 176.000 0.173 0.000 0.885 319 Q CA -0.286 55.618 55.803 0.167 0.000 0.759 319 Q CB 1.478 30.218 28.738 0.003 0.000 1.465 319 Q HN 0.622 nan 8.270 nan 0.000 0.432 320 A N 0.857 123.643 122.820 -0.057 0.000 2.572 320 A HA 0.830 5.169 4.320 0.033 0.000 0.295 320 A C -1.925 175.547 177.584 -0.186 0.000 1.072 320 A CA -0.465 51.371 52.037 -0.335 0.000 0.691 320 A CB 1.303 19.740 19.000 -0.939 0.000 1.291 320 A HN 0.666 nan 8.150 nan 0.000 0.404 321 L N -1.427 119.710 121.223 -0.143 0.000 2.479 321 L HA 0.896 5.256 4.340 0.033 0.000 0.255 321 L C -0.778 176.093 176.870 0.002 0.000 1.026 321 L CA -0.534 54.282 54.840 -0.041 0.000 0.842 321 L CB 1.855 43.908 42.059 -0.011 0.000 1.444 321 L HN 0.900 nan 8.230 nan 0.000 0.409 322 Q N 1.098 120.938 119.800 0.066 0.000 2.289 322 Q HA 0.537 4.897 4.340 0.033 0.000 0.270 322 Q C -1.758 174.311 176.000 0.116 0.000 1.038 322 Q CA -0.731 55.125 55.803 0.087 0.000 0.812 322 Q CB 2.451 31.238 28.738 0.082 0.000 1.300 322 Q HN 0.783 nan 8.270 nan 0.000 0.427 323 K N 3.136 123.604 120.400 0.113 0.000 2.235 323 K HA 0.622 4.962 4.320 0.033 0.000 0.266 323 K C -1.551 175.137 176.600 0.148 0.000 0.980 323 K CA -0.567 55.794 56.287 0.122 0.000 0.849 323 K CB 1.601 34.163 32.500 0.103 0.000 1.098 323 K HN 0.507 nan 8.250 nan 0.000 0.445 324 V N 3.706 123.720 119.914 0.166 0.000 2.841 324 V HA 0.549 4.689 4.120 0.033 0.000 0.310 324 V C -0.875 175.309 176.094 0.150 0.000 1.090 324 V CA -1.034 61.386 62.300 0.199 0.000 0.930 324 V CB 1.931 33.918 31.823 0.273 0.000 1.014 324 V HN 0.822 nan 8.190 nan 0.000 0.425 325 R N 2.824 123.381 120.500 0.095 0.000 2.628 325 R HA 0.823 5.183 4.340 0.033 0.000 0.288 325 R C -1.939 174.310 176.300 -0.084 0.000 0.980 325 R CA -0.547 55.571 56.100 0.029 0.000 0.891 325 R CB 2.130 32.443 30.300 0.020 0.000 1.188 325 R HN 0.821 nan 8.270 nan 0.000 0.450 326 I N 2.250 122.764 120.570 -0.094 0.000 2.647 326 I HA 0.388 4.578 4.170 0.033 0.000 0.295 326 I C -1.349 174.599 176.117 -0.281 0.000 1.078 326 I CA -0.549 60.610 61.300 -0.235 0.000 1.048 326 I CB 2.236 40.111 38.000 -0.207 0.000 1.239 326 I HN 0.728 nan 8.210 nan 0.000 0.421 327 E N 6.439 126.430 120.200 -0.348 0.000 2.241 327 E HA 0.473 4.843 4.350 0.033 0.000 0.263 327 E C -1.513 174.837 176.600 -0.417 0.000 0.882 327 E CA -0.728 55.460 56.400 -0.353 0.000 0.769 327 E CB 2.830 32.389 29.700 -0.236 0.000 1.185 327 E HN 0.252 nan 8.360 nan 0.000 0.415 328 V N 3.848 123.434 119.914 -0.548 0.000 2.448 328 V HA 0.380 4.520 4.120 0.033 0.000 0.295 328 V C -0.320 175.648 176.094 -0.209 0.000 1.025 328 V CA -0.605 61.460 62.300 -0.392 0.000 0.859 328 V CB 1.245 32.697 31.823 -0.618 0.000 0.988 328 V HN 0.788 nan 8.190 nan 0.000 0.431 329 N N 2.973 121.654 118.700 -0.032 0.000 3.387 329 N HA 0.340 5.100 4.740 0.033 0.000 0.322 329 N C 0.405 176.027 175.510 0.188 0.000 1.588 329 N CA -0.803 52.249 53.050 0.004 0.000 0.778 329 N CB 0.827 39.294 38.487 -0.033 0.000 1.883 329 N HN 0.190 nan 8.380 nan 0.000 0.628 330 E N -0.623 119.666 120.200 0.149 0.000 2.150 330 E HA -0.088 4.282 4.350 0.033 0.000 0.193 330 E C 1.156 178.079 176.600 0.540 0.000 0.985 330 E CA 1.907 58.495 56.400 0.313 0.000 0.814 330 E CB -0.131 29.695 29.700 0.210 0.000 0.752 330 E HN 0.649 nan 8.360 nan 0.000 0.466 331 S N -1.763 114.129 115.700 0.320 0.000 2.503 331 S HA 0.381 4.871 4.470 0.033 0.000 0.215 331 S C 1.067 175.668 174.600 0.002 0.000 1.003 331 S CA 0.232 58.574 58.200 0.236 0.000 0.910 331 S CB 0.861 64.108 63.200 0.079 0.000 0.790 331 S HN 0.297 nan 8.310 nan 0.000 0.514 332 G N -0.180 108.440 108.800 -0.299 0.000 2.600 332 G HA2 0.402 4.382 3.960 0.033 0.000 0.103 332 G HA3 0.402 4.382 3.960 0.033 0.000 0.103 332 G C -1.486 172.962 174.900 -0.753 0.000 1.090 332 G CA -0.020 44.368 45.100 -1.187 0.000 1.090 332 G HN 0.334 nan 8.290 nan 0.000 0.500 333 T N -0.047 114.120 114.554 -0.646 0.000 2.952 333 T HA 0.611 4.981 4.350 0.033 0.000 0.305 333 T C -1.256 173.061 174.700 -0.639 0.000 1.064 333 T CA -0.287 61.526 62.100 -0.478 0.000 1.008 333 T CB 2.137 70.875 68.868 -0.217 0.000 1.078 333 T HN 0.851 nan 8.240 nan 0.000 0.459 334 V N 2.127 121.732 119.914 -0.516 0.000 2.531 334 V HA 0.917 5.057 4.120 0.033 0.000 0.301 334 V C -0.303 175.486 176.094 -0.510 0.000 1.034 334 V CA -0.655 61.302 62.300 -0.572 0.000 0.865 334 V CB 1.389 32.986 31.823 -0.377 0.000 0.995 334 V HN 1.149 nan 8.190 nan 0.000 0.424 335 A N 3.375 125.827 122.820 -0.614 0.000 2.515 335 A HA 0.948 5.287 4.320 0.033 0.000 0.298 335 A C -0.714 176.570 177.584 -0.501 0.000 1.059 335 A CA -0.566 51.045 52.037 -0.711 0.000 0.698 335 A CB 2.342 20.532 19.000 -1.350 0.000 1.289 335 A HN 0.740 nan 8.150 nan 0.000 0.404 336 S N -0.316 115.264 115.700 -0.199 0.000 2.541 336 S HA 0.855 5.345 4.470 0.033 0.000 0.271 336 S C -0.724 174.085 174.600 0.348 0.000 1.133 336 S CA 0.247 58.566 58.200 0.199 0.000 0.876 336 S CB 1.491 64.812 63.200 0.202 0.000 1.105 336 S HN 2.043 nan 8.310 nan 0.000 0.470 337 S N 1.460 117.398 115.700 0.398 0.000 2.588 337 S HA 0.842 5.332 4.470 0.033 0.000 0.275 337 S C -1.044 173.683 174.600 0.211 0.000 1.130 337 S CA -0.715 57.656 58.200 0.285 0.000 0.855 337 S CB 1.699 65.051 63.200 0.253 0.000 1.116 337 S HN 0.659 nan 8.310 nan 0.000 0.472 338 S N 0.456 116.259 115.700 0.171 0.000 2.571 338 S HA 0.732 5.222 4.470 0.033 0.000 0.284 338 S C -1.230 173.447 174.600 0.128 0.000 1.128 338 S CA -0.402 57.904 58.200 0.176 0.000 0.970 338 S CB 1.541 64.866 63.200 0.210 0.000 1.039 338 S HN 0.829 nan 8.310 nan 0.000 0.485 339 T N 3.417 118.041 114.554 0.117 0.000 2.807 339 T HA 0.826 5.196 4.350 0.033 0.000 0.279 339 T C -0.622 174.139 174.700 0.102 0.000 0.993 339 T CA -0.445 61.698 62.100 0.071 0.000 0.970 339 T CB 1.404 70.297 68.868 0.042 0.000 0.950 339 T HN 0.896 nan 8.240 nan 0.000 0.441 340 A N 2.204 125.056 122.820 0.054 0.000 2.549 340 A HA 0.740 5.080 4.320 0.033 0.000 0.297 340 A C -1.269 176.333 177.584 0.029 0.000 1.061 340 A CA -0.801 51.303 52.037 0.113 0.000 0.690 340 A CB 0.968 20.037 19.000 0.115 0.000 1.287 340 A HN 0.772 nan 8.150 nan 0.000 0.402 341 F N 2.202 122.198 119.950 0.076 0.000 2.567 341 F HA 0.431 4.979 4.527 0.035 0.000 0.352 341 F C 0.648 176.465 175.800 0.028 0.000 1.229 341 F CA 0.356 58.402 58.000 0.076 0.000 1.228 341 F CB 0.779 39.813 39.000 0.058 0.000 1.568 341 F HN 0.556 nan 8.300 nan 0.000 0.634 342 V N -0.294 119.674 119.914 0.090 0.000 3.181 342 V HA 0.577 4.717 4.120 0.033 0.000 0.308 342 V C -0.311 175.796 176.094 0.023 0.000 1.214 342 V CA -1.435 60.892 62.300 0.044 0.000 1.053 342 V CB 1.992 33.833 31.823 0.030 0.000 1.069 342 V HN 0.218 nan 8.190 nan 0.000 0.441 343 I N 2.122 122.699 120.570 0.010 0.000 2.474 343 I HA 0.364 4.554 4.170 0.033 0.000 0.287 343 I C 0.691 176.808 176.117 0.001 0.000 1.048 343 I CA 0.412 61.714 61.300 0.002 0.000 1.383 343 I CB 1.570 39.568 38.000 -0.003 0.000 1.412 343 I HN 0.803 nan 8.210 nan 0.000 0.531 344 S N 4.653 120.349 115.700 -0.007 0.000 2.475 344 S HA 0.553 5.043 4.470 0.033 0.000 0.281 344 S C 0.397 174.997 174.600 -0.000 0.000 1.198 344 S CA -0.577 57.623 58.200 -0.001 0.000 1.063 344 S CB 0.995 64.190 63.200 -0.009 0.000 0.972 344 S HN 0.700 nan 8.310 nan 0.000 0.486 345 A N 5.508 128.333 122.820 0.008 0.000 2.713 345 A HA 0.278 4.617 4.320 0.033 0.000 0.296 345 A C 0.646 178.236 177.584 0.010 0.000 1.255 345 A CA -0.673 51.368 52.037 0.007 0.000 0.955 345 A CB -0.161 18.846 19.000 0.011 0.000 1.149 345 A HN 0.855 nan 8.150 nan 0.000 0.538 346 R N -0.193 120.313 120.500 0.010 0.000 2.537 346 R HA 0.520 4.880 4.340 0.033 0.000 0.280 346 R C -0.713 175.593 176.300 0.010 0.000 1.058 346 R CA 0.156 56.264 56.100 0.015 0.000 1.057 346 R CB 0.329 30.640 30.300 0.017 0.000 0.973 346 R HN 0.302 nan 8.270 nan 0.000 0.438 347 M N 1.967 121.575 119.600 0.013 0.000 2.535 347 M HA 0.374 4.874 4.480 0.033 0.000 0.314 347 M C -0.261 176.047 176.300 0.013 0.000 1.153 347 M CA -0.972 54.334 55.300 0.010 0.000 0.924 347 M CB 2.450 35.055 32.600 0.009 0.000 1.710 347 M HN 0.882 nan 8.290 nan 0.000 0.451 348 A N 3.445 126.271 122.820 0.009 0.000 2.531 348 A HA 0.478 4.818 4.320 0.033 0.000 0.236 348 A C -2.256 175.337 177.584 0.016 0.000 1.062 348 A CA -0.543 51.501 52.037 0.011 0.000 0.760 348 A CB -0.912 18.090 19.000 0.005 0.000 0.995 348 A HN 0.555 nan 8.150 nan 0.000 0.501 349 P HA 0.441 nan 4.420 nan 0.000 0.286 349 P C -0.696 176.616 177.300 0.021 0.000 1.292 349 P CA -0.545 62.569 63.100 0.025 0.000 0.842 349 P CB 0.641 32.362 31.700 0.035 0.000 1.207 350 T N 1.681 116.247 114.554 0.021 0.000 2.743 350 T HA 0.112 4.481 4.350 0.033 0.000 0.290 350 T C 0.384 175.096 174.700 0.020 0.000 0.908 350 T CA -0.235 61.875 62.100 0.017 0.000 1.092 350 T CB -0.216 68.661 68.868 0.016 0.000 0.882 350 T HN 0.273 nan 8.240 nan 0.000 0.531 351 E N 3.022 123.230 120.200 0.014 0.000 2.485 351 E HA 0.022 4.392 4.350 0.033 0.000 0.266 351 E C 0.592 177.199 176.600 0.013 0.000 1.137 351 E CA 0.227 56.634 56.400 0.012 0.000 1.010 351 E CB 0.326 30.025 29.700 -0.001 0.000 0.986 351 E HN 0.715 nan 8.360 nan 0.000 0.460 352 M N -1.484 118.122 119.600 0.010 0.000 2.753 352 M HA 0.564 5.064 4.480 0.033 0.000 0.299 352 M C -0.432 175.863 176.300 -0.008 0.000 1.219 352 M CA -1.103 54.204 55.300 0.012 0.000 0.900 352 M CB 1.064 33.683 32.600 0.031 0.000 1.628 352 M HN -0.009 nan 8.290 nan 0.000 0.502 353 V N 2.142 122.053 119.914 -0.005 0.000 2.472 353 V HA 0.598 4.737 4.120 0.033 0.000 0.290 353 V C -0.231 175.848 176.094 -0.024 0.000 1.037 353 V CA -0.581 61.710 62.300 -0.014 0.000 0.908 353 V CB 1.472 33.291 31.823 -0.007 0.000 0.985 353 V HN 0.616 nan 8.190 nan 0.000 0.454 354 I N 2.247 122.800 120.570 -0.028 0.000 2.827 354 I HA 0.365 4.555 4.170 0.033 0.000 0.298 354 I C 0.406 176.519 176.117 -0.008 0.000 1.235 354 I CA -0.565 60.722 61.300 -0.021 0.000 1.021 354 I CB 2.074 40.056 38.000 -0.031 0.000 1.259 354 I HN 0.465 nan 8.210 nan 0.000 0.427 355 D N 2.666 123.067 120.400 0.002 0.000 2.144 355 D HA 0.004 4.664 4.640 0.033 0.000 0.200 355 D C 0.544 176.848 176.300 0.008 0.000 0.978 355 D CA 1.525 55.525 54.000 0.000 0.000 0.833 355 D CB 0.388 41.185 40.800 -0.004 0.000 0.961 355 D HN 0.397 nan 8.370 nan 0.000 0.470 356 R N -0.750 119.772 120.500 0.036 0.000 2.668 356 R HA 0.405 4.765 4.340 0.033 0.000 0.272 356 R C -0.868 175.494 176.300 0.103 0.000 1.019 356 R CA -0.527 55.603 56.100 0.050 0.000 0.894 356 R CB 2.269 32.598 30.300 0.048 0.000 1.228 356 R HN -0.161 nan 8.270 nan 0.000 0.460 357 S N 2.243 117.969 115.700 0.042 0.000 2.576 357 S HA 0.435 4.925 4.470 0.033 0.000 0.276 357 S C -0.602 174.086 174.600 0.148 0.000 1.339 357 S CA -0.096 58.100 58.200 -0.005 0.000 1.039 357 S CB 0.147 63.294 63.200 -0.088 0.000 0.902 357 S HN 0.412 nan 8.310 nan 0.000 0.516 358 F N 0.049 119.990 119.950 -0.014 0.000 2.713 358 F HA 0.753 5.304 4.527 0.040 0.000 0.311 358 F C -1.579 174.271 175.800 0.083 0.000 1.141 358 F CA -1.618 56.400 58.000 0.030 0.000 0.939 358 F CB 0.745 39.774 39.000 0.048 0.000 1.325 358 F HN 0.372 nan 8.300 nan 0.000 0.453 359 L N 3.310 124.695 121.223 0.270 0.000 2.317 359 L HA 0.798 5.158 4.340 0.033 0.000 0.281 359 L C -1.169 175.950 176.870 0.416 0.000 1.024 359 L CA -0.923 54.016 54.840 0.165 0.000 0.810 359 L CB 1.321 43.467 42.059 0.144 0.000 1.240 359 L HN 0.671 nan 8.230 nan 0.000 0.427 360 F N 3.363 123.506 119.950 0.321 0.000 2.563 360 F HA 0.888 5.433 4.527 0.030 0.000 0.316 360 F C -1.207 174.778 175.800 0.307 0.000 1.076 360 F CA -1.228 57.012 58.000 0.400 0.000 0.921 360 F CB 1.501 40.813 39.000 0.521 0.000 1.209 360 F HN 0.163 nan 8.300 nan 0.000 0.462 361 V N 3.232 123.464 119.914 0.530 0.000 2.569 361 V HA 0.411 4.551 4.120 0.033 0.000 0.301 361 V C -0.842 175.566 176.094 0.525 0.000 1.044 361 V CA -0.809 61.727 62.300 0.394 0.000 0.874 361 V CB 1.591 33.605 31.823 0.318 0.000 1.002 361 V HN 0.796 nan 8.190 nan 0.000 0.424 362 V N 5.748 125.929 119.914 0.445 0.000 2.350 362 V HA 0.548 4.688 4.120 0.033 0.000 0.276 362 V C 0.170 176.398 176.094 0.223 0.000 1.028 362 V CA -0.387 62.145 62.300 0.387 0.000 0.860 362 V CB 1.284 33.312 31.823 0.343 0.000 0.990 362 V HN 0.850 nan 8.190 nan 0.000 0.453 363 R N 3.145 123.811 120.500 0.276 0.000 2.561 363 R HA 0.370 4.730 4.340 0.033 0.000 0.297 363 R C -0.649 175.766 176.300 0.191 0.000 0.969 363 R CA -0.715 55.523 56.100 0.230 0.000 0.879 363 R CB 1.222 31.736 30.300 0.357 0.000 1.178 363 R HN 0.861 nan 8.270 nan 0.000 0.445 364 H N 5.530 124.617 119.070 0.029 0.000 2.969 364 H HA 0.109 4.685 4.556 0.032 0.000 0.269 364 H C -0.101 175.285 175.328 0.096 0.000 1.223 364 H CA -0.119 55.949 56.048 0.032 0.000 1.400 364 H CB 0.769 30.498 29.762 -0.055 0.000 1.500 364 H HN 0.656 nan 8.280 nan 0.000 0.486 365 N N 5.308 123.937 118.700 -0.118 0.000 2.120 365 N HA -0.106 4.654 4.740 0.033 0.000 0.188 365 N C -1.064 174.422 175.510 -0.041 0.000 1.024 365 N CA 0.764 53.814 53.050 0.000 0.000 0.852 365 N CB -1.025 37.525 38.487 0.105 0.000 1.003 365 N HN 0.563 nan 8.380 nan 0.000 0.424 366 P HA -0.094 nan 4.420 nan 0.000 0.216 366 P C 1.387 178.758 177.300 0.119 0.000 1.150 366 P CA 1.760 64.847 63.100 -0.022 0.000 0.843 366 P CB -0.182 31.500 31.700 -0.030 0.000 0.787 367 T N -5.478 109.205 114.554 0.215 0.000 3.040 367 T HA 0.166 4.536 4.350 0.033 0.000 0.250 367 T C 0.779 175.636 174.700 0.261 0.000 1.058 367 T CA -0.097 62.163 62.100 0.267 0.000 0.988 367 T CB -0.598 68.446 68.868 0.294 0.000 0.993 367 T HN 0.141 nan 8.240 nan 0.000 0.519 368 E N 0.558 120.870 120.200 0.187 0.000 3.286 368 E HA -0.152 4.218 4.350 0.033 0.000 0.292 368 E C -0.707 175.961 176.600 0.113 0.000 0.928 368 E CA 0.704 57.172 56.400 0.112 0.000 0.982 368 E CB -2.369 27.366 29.700 0.058 0.000 1.500 368 E HN 0.550 nan 8.360 nan 0.000 0.441 369 T N 1.118 115.757 114.554 0.142 0.000 2.870 369 T HA 0.366 4.736 4.350 0.033 0.000 0.300 369 T C 0.608 175.333 174.700 0.041 0.000 0.989 369 T CA 0.084 62.234 62.100 0.083 0.000 1.139 369 T CB 0.695 69.554 68.868 -0.014 0.000 0.920 369 T HN 0.104 nan 8.240 nan 0.000 0.537 370 I N 4.396 124.979 120.570 0.023 0.000 2.307 370 I HA 0.199 4.389 4.170 0.033 0.000 0.289 370 I C 1.036 177.094 176.117 -0.097 0.000 1.021 370 I CA -0.382 60.911 61.300 -0.012 0.000 1.224 370 I CB 1.216 39.206 38.000 -0.016 0.000 1.376 370 I HN 0.606 nan 8.210 nan 0.000 0.470 371 L N 6.244 127.352 121.223 -0.191 0.000 2.095 371 L HA 0.149 4.509 4.340 0.033 0.000 0.204 371 L C -0.271 176.071 176.870 -0.879 0.000 1.080 371 L CA 1.207 55.745 54.840 -0.504 0.000 0.759 371 L CB -0.033 41.736 42.059 -0.484 0.000 0.914 371 L HN 0.377 nan 8.230 nan 0.000 0.439 372 F N -0.602 119.343 119.950 -0.009 0.000 2.608 372 F HA 0.542 5.088 4.527 0.031 0.000 0.309 372 F C -0.183 175.647 175.800 0.051 0.000 1.103 372 F CA -0.950 57.083 58.000 0.055 0.000 0.954 372 F CB 1.763 40.866 39.000 0.172 0.000 1.267 372 F HN -0.222 nan 8.300 nan 0.000 0.444 373 M N 1.199 120.842 119.600 0.072 0.000 2.622 373 M HA 1.021 5.520 4.480 0.033 0.000 0.276 373 M C -1.000 174.923 176.300 -0.630 0.000 1.265 373 M CA -0.596 54.498 55.300 -0.343 0.000 0.850 373 M CB 2.626 34.864 32.600 -0.603 0.000 1.720 373 M HN 0.747 nan 8.290 nan 0.000 0.465 374 G N 0.878 108.928 108.800 -1.249 0.000 2.550 374 G HA2 0.566 4.546 3.960 0.033 0.000 0.293 374 G HA3 0.566 4.546 3.960 0.033 0.000 0.293 374 G C -2.536 172.000 174.900 -0.607 0.000 1.402 374 G CA -0.783 43.841 45.100 -0.792 0.000 0.784 374 G HN 1.044 nan 8.290 nan 0.000 0.482 375 Q N -0.860 118.862 119.800 -0.131 0.000 2.347 375 Q HA 0.731 5.091 4.340 0.033 0.000 0.271 375 Q C -1.643 174.265 176.000 -0.154 0.000 1.064 375 Q CA -1.017 54.704 55.803 -0.137 0.000 0.800 375 Q CB 2.885 31.582 28.738 -0.067 0.000 1.304 375 Q HN 0.385 nan 8.270 nan 0.000 0.438 376 V N 3.854 123.515 119.914 -0.422 0.000 2.384 376 V HA 0.426 4.566 4.120 0.033 0.000 0.287 376 V C -0.402 175.474 176.094 -0.364 0.000 1.020 376 V CA -0.585 61.428 62.300 -0.479 0.000 0.850 376 V CB 1.474 32.714 31.823 -0.972 0.000 0.987 376 V HN 0.844 nan 8.190 nan 0.000 0.436 377 M N 3.590 123.062 119.600 -0.214 0.000 2.205 377 M HA 0.433 4.933 4.480 0.033 0.000 0.344 377 M C 0.028 176.261 176.300 -0.111 0.000 1.085 377 M CA -0.388 54.816 55.300 -0.161 0.000 1.001 377 M CB 1.525 34.041 32.600 -0.140 0.000 1.626 377 M HN 0.763 nan 8.290 nan 0.000 0.442 378 E N 5.509 125.656 120.200 -0.087 0.000 2.415 378 E HA 0.186 4.555 4.350 0.033 0.000 0.263 378 E C -1.999 174.576 176.600 -0.041 0.000 0.995 378 E CA -1.069 55.301 56.400 -0.051 0.000 0.915 378 E CB 0.694 30.374 29.700 -0.033 0.000 0.951 378 E HN 0.372 nan 8.360 nan 0.000 0.449 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 63.088 63.100 -0.019 0.000 0.800 379 P CB 0.000 31.690 31.700 -0.017 0.000 0.726