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 1xmx_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAMAIHVGII DQDPVRLVTP LLDHRTVSRH IIFIGDHTQT VIYQRLSDVL DATA SEQUENCE NKRNISTDFF EIPAGSNTSA IKSAIRELAE TLKARGEEVK FNASCGLRHR DATA SEQUENCE LLSAYEVFRS YHWPIFVVEP NSDCLCWLYP EGNNDTQVQD RITIADYLTI DATA SEQUENCE FGARGEFNXX XXSPQLDQQL YQLGERWASN ALELGPGLAT LNYLATTCRK DATA SEQUENCE EQKLDVELSD KQQGYRELNL LLSDLVEAKI ASYENGILTF INEEARRFAN DATA SEQUENCE GEWLETLVHS TVKQIQDDMP TIQDRSLNVQ VYRQLGEREV RNELDVATVV DATA SEQUENCE NNKLHIIECK TKGMRXDGDD TLYKLESLRD LLGGLQARAM LVSFRPLRHN DATA SEQUENCE DITRAEDLGL ALIGPDELKD LKTHLTQWFK AAGGN 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 -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.495 175.510 -0.025 0.000 1.280 -1 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 -1 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 0 A N 0.560 123.363 122.820 -0.029 0.000 1.969 0 A HA 0.041 4.364 4.320 0.005 0.000 0.218 0 A C 1.309 178.860 177.584 -0.054 0.000 1.169 0 A CA 1.403 53.415 52.037 -0.042 0.000 0.635 0 A CB -0.362 18.613 19.000 -0.042 0.000 0.810 0 A HN 0.311 nan 8.150 nan 0.000 0.445 1 M N -0.246 119.328 119.600 -0.044 0.000 2.556 1 M HA 0.257 4.739 4.480 0.005 0.000 0.245 1 M C 0.952 177.218 176.300 -0.058 0.000 1.128 1 M CA -0.304 54.963 55.300 -0.054 0.000 1.069 1 M CB -1.377 31.201 32.600 -0.037 0.000 1.469 1 M HN 0.337 nan 8.290 nan 0.000 0.494 2 A N 2.436 125.234 122.820 -0.037 0.000 2.354 2 A HA 0.615 4.938 4.320 0.005 0.000 0.281 2 A C 0.114 177.689 177.584 -0.015 0.000 1.174 2 A CA -0.486 51.539 52.037 -0.020 0.000 0.828 2 A CB -0.171 18.833 19.000 0.007 0.000 1.099 2 A HN 0.534 nan 8.150 nan 0.000 0.516 3 I N -0.075 120.483 120.570 -0.019 0.000 2.969 3 I HA 0.559 4.732 4.170 0.005 0.000 0.307 3 I C -0.745 175.435 176.117 0.104 0.000 1.149 3 I CA -0.788 60.522 61.300 0.016 0.000 1.008 3 I CB 1.932 39.954 38.000 0.036 0.000 1.232 3 I HN 0.685 nan 8.210 nan 0.000 0.435 4 H N 2.780 121.788 119.070 -0.102 0.000 2.483 4 H HA 0.679 5.238 4.556 0.005 0.000 0.338 4 H C -0.937 174.268 175.328 -0.204 0.000 1.152 4 H CA -1.075 54.905 56.048 -0.113 0.000 1.264 4 H CB 2.465 32.190 29.762 -0.063 0.000 1.510 4 H HN 0.366 nan 8.280 nan 0.000 0.530 5 V N 1.433 121.300 119.914 -0.078 0.000 2.604 5 V HA 0.549 4.672 4.120 0.005 0.000 0.305 5 V C 0.257 176.424 176.094 0.122 0.000 1.043 5 V CA -0.616 61.648 62.300 -0.060 0.000 0.888 5 V CB 1.823 33.530 31.823 -0.194 0.000 0.995 5 V HN 0.973 nan 8.190 nan 0.000 0.429 6 G N 3.619 112.496 108.800 0.127 0.000 2.660 6 G HA2 0.720 4.683 3.960 0.005 0.000 0.294 6 G HA3 0.720 4.683 3.960 0.005 0.000 0.294 6 G C -1.542 173.575 174.900 0.362 0.000 1.369 6 G CA -0.609 44.626 45.100 0.225 0.000 0.912 6 G HN 0.401 nan 8.290 nan 0.000 0.479 7 I N 1.726 122.499 120.570 0.339 0.000 2.330 7 I HA 0.326 4.499 4.170 0.005 0.000 0.289 7 I C 0.485 176.757 176.117 0.257 0.000 1.001 7 I CA -0.857 60.629 61.300 0.310 0.000 1.193 7 I CB 1.118 39.278 38.000 0.268 0.000 1.345 7 I HN 0.338 nan 8.210 nan 0.000 0.461 8 I N 6.828 127.561 120.570 0.273 0.000 2.710 8 I HA -0.070 4.103 4.170 0.005 0.000 0.286 8 I C 0.483 176.663 176.117 0.106 0.000 1.181 8 I CA 0.728 62.120 61.300 0.154 0.000 1.430 8 I CB 0.380 38.442 38.000 0.104 0.000 1.367 8 I HN 0.662 nan 8.210 nan 0.000 0.577 9 D N 4.030 124.462 120.400 0.054 0.000 2.867 9 D HA 0.139 4.782 4.640 0.005 0.000 0.308 9 D C -0.003 176.303 176.300 0.010 0.000 1.202 9 D CA -0.529 53.501 54.000 0.051 0.000 1.035 9 D CB 0.467 41.312 40.800 0.074 0.000 1.427 9 D HN 0.265 nan 8.370 nan 0.000 0.570 10 Q N -0.707 119.117 119.800 0.040 0.000 2.378 10 Q HA 0.059 4.401 4.340 0.005 0.000 0.205 10 Q C -0.337 175.713 176.000 0.083 0.000 0.954 10 Q CA 0.904 56.736 55.803 0.047 0.000 0.901 10 Q CB -0.052 28.738 28.738 0.086 0.000 0.981 10 Q HN 0.525 nan 8.270 nan 0.000 0.483 11 D N 0.653 121.108 120.400 0.092 0.000 2.441 11 D HA 0.151 4.793 4.640 0.005 0.000 0.287 11 D C -2.222 174.097 176.300 0.031 0.000 1.198 11 D CA -1.875 52.214 54.000 0.148 0.000 0.894 11 D CB 1.194 42.160 40.800 0.276 0.000 1.070 11 D HN -0.061 nan 8.370 nan 0.000 0.499 12 P HA 0.096 nan 4.420 nan 0.000 0.259 12 P C 1.235 178.485 177.300 -0.083 0.000 1.530 12 P CA -0.197 62.855 63.100 -0.080 0.000 1.022 12 P CB 0.676 32.291 31.700 -0.141 0.000 1.514 13 V N 0.845 120.706 119.914 -0.087 0.000 2.469 13 V HA -0.201 3.922 4.120 0.005 0.000 0.251 13 V C 2.389 178.476 176.094 -0.012 0.000 1.064 13 V CA 1.791 64.029 62.300 -0.103 0.000 1.066 13 V CB -1.016 30.763 31.823 -0.073 0.000 0.667 13 V HN 0.209 nan 8.190 nan 0.000 0.461 14 R N -0.594 119.929 120.500 0.038 0.000 2.323 14 R HA 0.128 4.470 4.340 0.005 0.000 0.198 14 R C 1.857 178.213 176.300 0.094 0.000 0.988 14 R CA 0.454 56.593 56.100 0.064 0.000 1.041 14 R CB -0.123 30.214 30.300 0.062 0.000 0.926 14 R HN 0.472 nan 8.270 nan 0.000 0.476 15 L N -0.684 120.603 121.223 0.107 0.000 2.446 15 L HA -0.005 4.338 4.340 0.005 0.000 0.219 15 L C 1.733 178.724 176.870 0.203 0.000 1.116 15 L CA 0.427 55.379 54.840 0.186 0.000 0.844 15 L CB 0.127 42.375 42.059 0.314 0.000 0.970 15 L HN 0.007 nan 8.230 nan 0.000 0.457 16 V N -0.676 119.313 119.914 0.125 0.000 2.672 16 V HA -0.147 3.976 4.120 0.005 0.000 0.242 16 V C 2.668 178.800 176.094 0.064 0.000 1.059 16 V CA 1.801 64.155 62.300 0.090 0.000 1.081 16 V CB -0.007 31.820 31.823 0.007 0.000 0.752 16 V HN 0.559 nan 8.190 nan 0.000 0.472 17 T N -0.894 113.689 114.554 0.049 0.000 2.788 17 T HA -0.114 4.238 4.350 0.005 0.000 0.268 17 T C -0.155 174.573 174.700 0.046 0.000 1.044 17 T CA 1.499 63.622 62.100 0.039 0.000 1.139 17 T CB -1.721 67.168 68.868 0.034 0.000 0.867 17 T HN 0.369 nan 8.240 nan 0.000 0.454 18 P HA 0.016 nan 4.420 nan 0.000 0.216 18 P C 1.514 178.864 177.300 0.083 0.000 1.150 18 P CA 0.899 64.045 63.100 0.077 0.000 0.843 18 P CB -0.287 31.522 31.700 0.182 0.000 0.787 19 L N -1.902 119.363 121.223 0.070 0.000 2.395 19 L HA -0.037 4.306 4.340 0.005 0.000 0.218 19 L C 2.080 178.952 176.870 0.003 0.000 1.130 19 L CA 0.728 55.555 54.840 -0.022 0.000 0.826 19 L CB -0.594 41.431 42.059 -0.057 0.000 0.941 19 L HN -0.033 nan 8.230 nan 0.000 0.451 20 L N -1.296 119.945 121.223 0.030 0.000 2.509 20 L HA 0.039 4.381 4.340 0.005 0.000 0.222 20 L C 0.828 177.753 176.870 0.092 0.000 1.123 20 L CA -0.036 54.835 54.840 0.052 0.000 0.856 20 L CB -0.285 41.797 42.059 0.038 0.000 0.985 20 L HN 0.178 nan 8.230 nan 0.000 0.456 21 D N 0.170 120.604 120.400 0.057 0.000 2.390 21 D HA -0.041 4.602 4.640 0.005 0.000 0.249 21 D C 0.979 177.361 176.300 0.136 0.000 1.144 21 D CA 0.168 54.192 54.000 0.040 0.000 0.880 21 D CB 0.842 41.645 40.800 0.005 0.000 1.182 21 D HN 0.273 nan 8.370 nan 0.000 0.451 22 H N 2.786 121.846 119.070 -0.017 0.000 2.521 22 H HA -0.014 4.545 4.556 0.005 0.000 0.286 22 H C 1.400 176.720 175.328 -0.013 0.000 1.034 22 H CA 0.405 56.443 56.048 -0.017 0.000 1.278 22 H CB 0.726 30.478 29.762 -0.015 0.000 1.386 22 H HN 0.286 nan 8.280 nan 0.000 0.567 23 R N 0.423 120.990 120.500 0.111 0.000 2.240 23 R HA 0.021 4.364 4.340 0.005 0.000 0.203 23 R C 0.428 176.757 176.300 0.048 0.000 1.011 23 R CA 0.348 56.485 56.100 0.063 0.000 1.007 23 R CB 0.274 30.599 30.300 0.042 0.000 0.911 23 R HN 0.012 nan 8.270 nan 0.000 0.468 24 T N 0.726 115.307 114.554 0.045 0.000 2.814 24 T HA 0.073 4.426 4.350 0.005 0.000 0.297 24 T C 1.479 176.187 174.700 0.013 0.000 0.956 24 T CA -0.337 61.788 62.100 0.040 0.000 1.123 24 T CB 2.039 70.925 68.868 0.030 0.000 0.902 24 T HN -0.171 nan 8.240 nan 0.000 0.528 25 V N 2.844 122.773 119.914 0.024 0.000 2.346 25 V HA -0.070 4.052 4.120 0.005 0.000 0.244 25 V C 1.489 177.563 176.094 -0.032 0.000 1.037 25 V CA 1.034 63.336 62.300 0.002 0.000 1.029 25 V CB -0.392 31.441 31.823 0.017 0.000 0.663 25 V HN 0.867 nan 8.190 nan 0.000 0.454 26 S N 1.567 117.235 115.700 -0.053 0.000 2.563 26 S HA 0.032 4.505 4.470 0.005 0.000 0.294 26 S C 0.964 175.469 174.600 -0.159 0.000 1.279 26 S CA 0.114 58.237 58.200 -0.127 0.000 1.069 26 S CB -0.037 63.005 63.200 -0.264 0.000 0.828 26 S HN 0.712 nan 8.310 nan 0.000 0.497 27 R N 1.752 122.202 120.500 -0.084 0.000 2.659 27 R HA 0.316 4.659 4.340 0.005 0.000 0.418 27 R C -0.160 176.146 176.300 0.010 0.000 1.076 27 R CA -0.501 55.564 56.100 -0.059 0.000 1.093 27 R CB 0.209 30.490 30.300 -0.033 0.000 1.400 27 R HN 0.709 nan 8.270 nan 0.000 0.583 28 H N 0.380 119.366 119.070 -0.140 0.000 2.974 28 H HA 0.513 5.072 4.556 0.005 0.000 0.366 28 H C -1.748 173.488 175.328 -0.153 0.000 1.155 28 H CA -0.785 55.196 56.048 -0.111 0.000 1.186 28 H CB 2.639 32.352 29.762 -0.081 0.000 1.799 28 H HN 0.220 nan 8.280 nan 0.000 0.541 29 I N 5.148 125.290 120.570 -0.713 0.000 2.722 29 I HA 0.391 4.563 4.170 0.005 0.000 0.295 29 I C -1.385 174.315 176.117 -0.695 0.000 1.161 29 I CA -0.809 60.140 61.300 -0.585 0.000 1.032 29 I CB 2.067 39.706 38.000 -0.603 0.000 1.244 29 I HN 0.494 nan 8.210 nan 0.000 0.421 30 I N 7.024 127.344 120.570 -0.417 0.000 2.362 30 I HA 0.338 4.511 4.170 0.005 0.000 0.289 30 I C -1.059 174.971 176.117 -0.146 0.000 0.994 30 I CA -0.433 60.756 61.300 -0.186 0.000 1.158 30 I CB 1.192 39.164 38.000 -0.046 0.000 1.315 30 I HN 0.344 nan 8.210 nan 0.000 0.451 31 F N 6.442 126.510 119.950 0.196 0.000 2.394 31 F HA 0.478 5.007 4.527 0.004 0.000 0.340 31 F C 0.349 176.334 175.800 0.308 0.000 1.105 31 F CA -0.406 57.756 58.000 0.269 0.000 1.124 31 F CB 0.955 40.164 39.000 0.348 0.000 1.145 31 F HN 0.206 nan 8.300 nan 0.000 0.505 32 I N 2.104 122.944 120.570 0.450 0.000 2.359 32 I HA 0.710 4.883 4.170 0.005 0.000 0.294 32 I C 0.356 176.669 176.117 0.327 0.000 0.987 32 I CA -0.041 61.452 61.300 0.321 0.000 1.225 32 I CB 1.346 39.510 38.000 0.273 0.000 1.366 32 I HN 0.720 nan 8.210 nan 0.000 0.466 33 G N 3.814 112.724 108.800 0.184 0.000 2.608 33 G HA2 0.443 4.406 3.960 0.005 0.000 0.291 33 G HA3 0.443 4.406 3.960 0.005 0.000 0.291 33 G C -1.994 172.962 174.900 0.093 0.000 1.425 33 G CA -0.632 44.650 45.100 0.303 0.000 0.787 33 G HN 0.563 nan 8.290 nan 0.000 0.484 34 D N -2.128 118.375 120.400 0.171 0.000 2.432 34 D HA 0.309 4.952 4.640 0.005 0.000 0.258 34 D C 1.118 177.552 176.300 0.225 0.000 1.146 34 D CA -0.593 53.477 54.000 0.115 0.000 1.015 34 D CB 0.823 41.681 40.800 0.097 0.000 1.107 34 D HN 0.421 nan 8.370 nan 0.000 0.529 35 H N -0.997 118.126 119.070 0.089 0.000 2.387 35 H HA -0.148 4.411 4.556 0.005 0.000 0.299 35 H C 1.766 177.181 175.328 0.146 0.000 1.099 35 H CA 2.930 59.057 56.048 0.131 0.000 1.315 35 H CB -0.315 29.479 29.762 0.054 0.000 1.380 35 H HN 0.546 nan 8.280 nan 0.000 0.513 36 T N -2.059 112.503 114.554 0.013 0.000 3.098 36 T HA -0.098 4.254 4.350 0.005 0.000 0.266 36 T C 1.447 176.111 174.700 -0.060 0.000 1.145 36 T CA 1.082 63.152 62.100 -0.051 0.000 1.092 36 T CB -0.125 68.757 68.868 0.024 0.000 0.908 36 T HN 0.525 nan 8.240 nan 0.000 0.526 37 Q N 0.104 119.903 119.800 -0.002 0.000 2.280 37 Q HA 0.149 4.492 4.340 0.005 0.000 0.201 37 Q C 1.782 177.636 176.000 -0.243 0.000 0.890 37 Q CA 0.072 55.847 55.803 -0.046 0.000 0.947 37 Q CB 0.127 28.906 28.738 0.069 0.000 1.081 37 Q HN 0.498 nan 8.270 nan 0.000 0.502 38 T N 0.433 114.824 114.554 -0.271 0.000 2.721 38 T HA -0.194 4.159 4.350 0.005 0.000 0.268 38 T C 1.823 176.371 174.700 -0.252 0.000 1.038 38 T CA 1.509 63.387 62.100 -0.370 0.000 1.145 38 T CB -0.195 68.533 68.868 -0.234 0.000 0.858 38 T HN 0.215 nan 8.240 nan 0.000 0.459 39 V N 0.980 120.777 119.914 -0.196 0.000 2.358 39 V HA -0.086 4.036 4.120 0.005 0.000 0.246 39 V C 2.175 178.149 176.094 -0.200 0.000 1.047 39 V CA 1.374 63.579 62.300 -0.157 0.000 1.035 39 V CB -0.473 31.285 31.823 -0.109 0.000 0.658 39 V HN 0.528 nan 8.190 nan 0.000 0.452 40 I N -0.585 119.855 120.570 -0.217 0.000 2.163 40 I HA -0.272 3.900 4.170 0.005 0.000 0.243 40 I C 2.425 178.325 176.117 -0.361 0.000 1.085 40 I CA 2.493 63.635 61.300 -0.263 0.000 1.347 40 I CB -0.753 37.110 38.000 -0.229 0.000 1.044 40 I HN 0.515 nan 8.210 nan 0.000 0.408 41 Y N 2.005 121.962 120.300 -0.571 0.000 2.069 41 Y HA -0.376 4.177 4.550 0.004 0.000 0.278 41 Y C 2.638 178.279 175.900 -0.432 0.000 1.175 41 Y CA 1.974 59.672 58.100 -0.670 0.000 1.134 41 Y CB -0.615 37.243 38.460 -1.003 0.000 0.965 41 Y HN 0.210 nan 8.280 nan 0.000 0.498 42 Q N -0.237 119.242 119.800 -0.534 0.000 2.096 42 Q HA -0.220 4.123 4.340 0.005 0.000 0.204 42 Q C 2.367 178.135 176.000 -0.386 0.000 0.982 42 Q CA 2.000 57.518 55.803 -0.475 0.000 0.850 42 Q CB -0.226 28.376 28.738 -0.227 0.000 0.901 42 Q HN 0.519 nan 8.270 nan 0.000 0.422 43 R N 0.295 120.604 120.500 -0.318 0.000 2.066 43 R HA -0.082 4.260 4.340 0.005 0.000 0.232 43 R C 2.369 178.498 176.300 -0.286 0.000 1.131 43 R CA 1.068 57.016 56.100 -0.253 0.000 0.955 43 R CB -0.370 29.798 30.300 -0.220 0.000 0.851 43 R HN 0.216 nan 8.270 nan 0.000 0.432 44 L N 0.276 121.266 121.223 -0.389 0.000 2.043 44 L HA -0.241 4.102 4.340 0.005 0.000 0.212 44 L C 2.365 179.073 176.870 -0.270 0.000 1.075 44 L CA 1.332 55.944 54.840 -0.379 0.000 0.752 44 L CB -0.420 41.230 42.059 -0.682 0.000 0.891 44 L HN 0.187 nan 8.230 nan 0.000 0.432 45 S N -0.600 114.865 115.700 -0.392 0.000 2.383 45 S HA -0.163 4.309 4.470 0.005 0.000 0.227 45 S C 1.492 175.981 174.600 -0.185 0.000 1.026 45 S CA 1.164 59.186 58.200 -0.297 0.000 0.981 45 S CB -0.276 62.602 63.200 -0.536 0.000 0.818 45 S HN 0.440 nan 8.310 nan 0.000 0.472 46 D N 1.275 121.562 120.400 -0.188 0.000 2.104 46 D HA -0.079 4.564 4.640 0.005 0.000 0.194 46 D C 2.042 178.296 176.300 -0.077 0.000 0.994 46 D CA 0.868 54.800 54.000 -0.113 0.000 0.830 46 D CB -0.554 40.186 40.800 -0.101 0.000 0.959 46 D HN 0.213 nan 8.370 nan 0.000 0.452 47 V N 0.723 120.586 119.914 -0.084 0.000 2.307 47 V HA -0.185 3.938 4.120 0.005 0.000 0.245 47 V C 2.614 178.686 176.094 -0.036 0.000 1.045 47 V CA 1.175 63.442 62.300 -0.055 0.000 1.024 47 V CB -0.414 31.367 31.823 -0.070 0.000 0.651 47 V HN 0.149 nan 8.190 nan 0.000 0.449 48 L N -0.168 121.036 121.223 -0.032 0.000 2.072 48 L HA -0.109 4.234 4.340 0.005 0.000 0.205 48 L C 2.254 179.118 176.870 -0.011 0.000 1.079 48 L CA 1.715 56.552 54.840 -0.004 0.000 0.752 48 L CB -0.738 41.342 42.059 0.035 0.000 0.906 48 L HN 0.391 nan 8.230 nan 0.000 0.436 49 N N -0.084 118.603 118.700 -0.022 0.000 2.149 49 N HA -0.217 4.525 4.740 0.005 0.000 0.188 49 N C 1.684 177.185 175.510 -0.014 0.000 1.019 49 N CA 0.891 53.932 53.050 -0.015 0.000 0.857 49 N CB -0.037 38.435 38.487 -0.025 0.000 0.997 49 N HN 0.280 nan 8.380 nan 0.000 0.426 50 K N 0.761 121.149 120.400 -0.020 0.000 2.089 50 K HA -0.156 4.167 4.320 0.005 0.000 0.210 50 K C 1.274 177.866 176.600 -0.013 0.000 1.048 50 K CA 1.301 57.579 56.287 -0.016 0.000 0.926 50 K CB -0.024 32.466 32.500 -0.017 0.000 0.714 50 K HN 0.090 nan 8.250 nan 0.000 0.448 51 R N 0.621 121.114 120.500 -0.012 0.000 2.356 51 R HA 0.130 4.473 4.340 0.005 0.000 0.234 51 R C -0.174 176.117 176.300 -0.014 0.000 0.929 51 R CA 0.063 56.156 56.100 -0.013 0.000 1.084 51 R CB -0.041 30.253 30.300 -0.010 0.000 1.105 51 R HN 0.249 nan 8.270 nan 0.000 0.515 52 N N -0.063 118.632 118.700 -0.009 0.000 2.782 52 N HA -0.220 4.523 4.740 0.005 0.000 0.251 52 N C -0.733 174.777 175.510 0.000 0.000 1.101 52 N CA 0.881 53.929 53.050 -0.004 0.000 0.764 52 N CB -1.369 37.111 38.487 -0.012 0.000 1.122 52 N HN 0.272 nan 8.380 nan 0.000 0.561 53 I N 1.598 122.167 120.570 -0.001 0.000 2.325 53 I HA 0.092 4.265 4.170 0.005 0.000 0.291 53 I C 1.098 177.228 176.117 0.023 0.000 1.019 53 I CA -0.265 61.034 61.300 -0.001 0.000 1.302 53 I CB 1.159 39.145 38.000 -0.024 0.000 1.401 53 I HN 0.113 nan 8.210 nan 0.000 0.485 54 S N 4.038 119.780 115.700 0.071 0.000 2.617 54 S HA 0.723 5.196 4.470 0.005 0.000 0.269 54 S C -0.040 174.559 174.600 -0.002 0.000 1.292 54 S CA -0.540 57.744 58.200 0.141 0.000 1.010 54 S CB 1.531 64.906 63.200 0.292 0.000 0.944 54 S HN 0.704 nan 8.310 nan 0.000 0.536 55 T N -1.184 113.405 114.554 0.058 0.000 2.900 55 T HA 0.715 5.068 4.350 0.005 0.000 0.303 55 T C -1.872 172.993 174.700 0.275 0.000 1.142 55 T CA -0.835 61.297 62.100 0.053 0.000 1.007 55 T CB 1.860 70.901 68.868 0.289 0.000 1.156 55 T HN 0.597 nan 8.240 nan 0.000 0.490 56 D N 0.262 120.835 120.400 0.288 0.000 2.570 56 D HA 0.576 5.219 4.640 0.005 0.000 0.244 56 D C -1.791 174.676 176.300 0.278 0.000 1.178 56 D CA -0.388 53.808 54.000 0.328 0.000 0.881 56 D CB 2.306 43.262 40.800 0.260 0.000 1.453 56 D HN 0.500 nan 8.370 nan 0.000 0.447 57 F N 1.828 121.641 119.950 -0.227 0.000 2.477 57 F HA 0.556 5.086 4.527 0.004 0.000 0.335 57 F C -1.697 174.058 175.800 -0.076 0.000 1.130 57 F CA -1.467 56.288 58.000 -0.408 0.000 0.948 57 F CB 0.914 39.218 39.000 -1.160 0.000 1.154 57 F HN 0.151 nan 8.300 nan 0.000 0.439 58 F N 5.909 125.635 119.950 -0.373 0.000 2.427 58 F HA 0.465 4.995 4.527 0.004 0.000 0.348 58 F C -0.453 174.973 175.800 -0.624 0.000 1.125 58 F CA -0.369 57.406 58.000 -0.375 0.000 0.989 58 F CB 0.959 39.871 39.000 -0.147 0.000 1.165 58 F HN 0.513 nan 8.300 nan 0.000 0.442 59 E N 7.117 126.623 120.200 -1.156 0.000 2.200 59 E HA 0.356 4.709 4.350 0.005 0.000 0.283 59 E C -0.421 175.752 176.600 -0.712 0.000 1.015 59 E CA -0.636 55.224 56.400 -0.899 0.000 0.819 59 E CB 1.232 30.549 29.700 -0.638 0.000 1.081 59 E HN 0.663 nan 8.360 nan 0.000 0.397 60 I N 1.088 121.441 120.570 -0.362 0.000 2.783 60 I HA 0.535 4.708 4.170 0.005 0.000 0.312 60 I C -2.183 173.855 176.117 -0.132 0.000 0.988 60 I CA -2.575 58.610 61.300 -0.192 0.000 1.182 60 I CB 0.514 38.487 38.000 -0.044 0.000 1.368 60 I HN 0.277 nan 8.210 nan 0.000 0.511 61 P HA 0.148 nan 4.420 nan 0.000 0.274 61 P C -0.049 177.250 177.300 -0.001 0.000 1.237 61 P CA -0.367 62.706 63.100 -0.044 0.000 0.793 61 P CB 1.162 32.844 31.700 -0.031 0.000 0.977 62 A N 1.994 124.828 122.820 0.024 0.000 2.081 62 A HA 0.258 4.580 4.320 0.005 0.000 0.214 62 A C 1.375 179.010 177.584 0.085 0.000 1.158 62 A CA 0.847 52.920 52.037 0.060 0.000 0.724 62 A CB -1.041 17.999 19.000 0.066 0.000 0.826 62 A HN 0.656 nan 8.150 nan 0.000 0.463 63 G N -0.496 108.343 108.800 0.066 0.000 2.716 63 G HA2 0.262 4.225 3.960 0.005 0.000 0.251 63 G HA3 0.262 4.225 3.960 0.005 0.000 0.251 63 G C 1.036 176.015 174.900 0.131 0.000 1.224 63 G CA 0.419 45.564 45.100 0.074 0.000 0.891 63 G HN 0.682 nan 8.290 nan 0.000 0.561 64 S N -0.740 115.023 115.700 0.105 0.000 2.558 64 S HA -0.011 4.462 4.470 0.005 0.000 0.217 64 S C 1.054 175.748 174.600 0.157 0.000 0.975 64 S CA -0.104 58.183 58.200 0.145 0.000 0.912 64 S CB -0.141 63.050 63.200 -0.016 0.000 0.776 64 S HN 0.545 nan 8.310 nan 0.000 0.526 65 N N 3.485 122.240 118.700 0.091 0.000 2.417 65 N HA -0.007 4.736 4.740 0.005 0.000 0.272 65 N C 1.118 176.667 175.510 0.065 0.000 1.304 65 N CA 0.901 53.989 53.050 0.063 0.000 0.906 65 N CB 1.001 39.509 38.487 0.035 0.000 1.135 65 N HN 0.527 nan 8.380 nan 0.000 0.483 66 T N -0.613 113.980 114.554 0.065 0.000 3.054 66 T HA -0.088 4.264 4.350 0.005 0.000 0.259 66 T C 1.846 176.553 174.700 0.012 0.000 1.092 66 T CA 0.920 63.046 62.100 0.044 0.000 1.121 66 T CB -0.262 68.643 68.868 0.062 0.000 0.912 66 T HN 0.407 nan 8.240 nan 0.000 0.489 67 S N 1.837 117.545 115.700 0.012 0.000 2.428 67 S HA 0.203 4.676 4.470 0.005 0.000 0.230 67 S C 2.387 176.986 174.600 -0.001 0.000 1.014 67 S CA 0.608 58.809 58.200 0.001 0.000 0.957 67 S CB -0.729 62.471 63.200 0.001 0.000 0.784 67 S HN 0.676 nan 8.310 nan 0.000 0.499 68 A N 2.028 124.851 122.820 0.005 0.000 1.897 68 A HA 0.192 4.514 4.320 0.005 0.000 0.215 68 A C 2.180 179.764 177.584 0.000 0.000 1.181 68 A CA 1.190 53.229 52.037 0.003 0.000 0.620 68 A CB -0.760 18.243 19.000 0.005 0.000 0.821 68 A HN 0.579 nan 8.150 nan 0.000 0.443 69 I N -0.275 120.292 120.570 -0.005 0.000 2.127 69 I HA -0.303 3.870 4.170 0.005 0.000 0.241 69 I C 2.460 178.558 176.117 -0.031 0.000 1.075 69 I CA 1.720 63.009 61.300 -0.019 0.000 1.334 69 I CB -0.364 37.605 38.000 -0.051 0.000 1.040 69 I HN 0.270 nan 8.210 nan 0.000 0.405 70 K N 0.218 120.591 120.400 -0.045 0.000 2.103 70 K HA -0.168 4.155 4.320 0.005 0.000 0.207 70 K C 2.408 178.981 176.600 -0.046 0.000 1.048 70 K CA 1.570 57.815 56.287 -0.070 0.000 0.930 70 K CB -0.255 32.212 32.500 -0.057 0.000 0.716 70 K HN 0.147 nan 8.250 nan 0.000 0.444 71 S N 0.438 116.129 115.700 -0.016 0.000 2.356 71 S HA -0.159 4.313 4.470 0.005 0.000 0.223 71 S C 2.020 176.640 174.600 0.034 0.000 1.032 71 S CA 1.307 59.509 58.200 0.003 0.000 1.005 71 S CB -0.174 63.030 63.200 0.006 0.000 0.867 71 S HN 0.433 nan 8.310 nan 0.000 0.449 72 A N 1.018 123.874 122.820 0.061 0.000 1.902 72 A HA -0.024 4.299 4.320 0.005 0.000 0.217 72 A C 2.038 179.745 177.584 0.205 0.000 1.181 72 A CA 1.427 53.571 52.037 0.177 0.000 0.623 72 A CB -0.660 18.439 19.000 0.164 0.000 0.818 72 A HN 0.594 nan 8.150 nan 0.000 0.443 73 I N -1.464 119.131 120.570 0.041 0.000 2.439 73 I HA -0.154 4.018 4.170 0.005 0.000 0.251 73 I C 2.642 178.662 176.117 -0.162 0.000 1.139 73 I CA 1.185 62.397 61.300 -0.148 0.000 1.438 73 I CB -0.249 37.578 38.000 -0.288 0.000 1.085 73 I HN 0.306 nan 8.210 nan 0.000 0.427 74 R N 1.099 121.552 120.500 -0.078 0.000 2.092 74 R HA -0.163 4.180 4.340 0.005 0.000 0.231 74 R C 2.129 178.435 176.300 0.011 0.000 1.119 74 R CA 1.349 57.446 56.100 -0.005 0.000 0.970 74 R CB -0.015 30.296 30.300 0.019 0.000 0.864 74 R HN 0.353 nan 8.270 nan 0.000 0.440 75 E N 0.239 120.448 120.200 0.014 0.000 2.058 75 E HA -0.250 4.103 4.350 0.005 0.000 0.194 75 E C 1.944 178.523 176.600 -0.035 0.000 0.997 75 E CA 1.463 57.880 56.400 0.029 0.000 0.801 75 E CB -0.157 29.598 29.700 0.091 0.000 0.746 75 E HN 0.184 nan 8.360 nan 0.000 0.450 76 L N 0.970 122.087 121.223 -0.178 0.000 2.012 76 L HA -0.196 4.146 4.340 0.005 0.000 0.210 76 L C 2.211 178.973 176.870 -0.181 0.000 1.073 76 L CA 2.273 56.892 54.840 -0.368 0.000 0.748 76 L CB -0.642 40.847 42.059 -0.950 0.000 0.891 76 L HN 0.054 nan 8.230 nan 0.000 0.431 77 A N -1.071 121.688 122.820 -0.102 0.000 1.933 77 A HA -0.241 4.082 4.320 0.005 0.000 0.218 77 A C 2.255 179.741 177.584 -0.163 0.000 1.175 77 A CA 1.766 53.756 52.037 -0.078 0.000 0.628 77 A CB -0.671 18.185 19.000 -0.240 0.000 0.814 77 A HN 0.564 nan 8.150 nan 0.000 0.444 78 E N -0.520 119.642 120.200 -0.062 0.000 2.072 78 E HA -0.081 4.271 4.350 0.005 0.000 0.190 78 E C 2.034 178.657 176.600 0.039 0.000 0.982 78 E CA 1.712 58.142 56.400 0.050 0.000 0.803 78 E CB -0.376 29.386 29.700 0.104 0.000 0.755 78 E HN 0.531 nan 8.360 nan 0.000 0.453 79 T N 0.799 115.357 114.554 0.006 0.000 2.788 79 T HA -0.112 4.241 4.350 0.005 0.000 0.268 79 T C 1.777 176.473 174.700 -0.008 0.000 1.044 79 T CA 1.164 63.265 62.100 0.002 0.000 1.139 79 T CB -0.170 68.691 68.868 -0.013 0.000 0.867 79 T HN 0.121 nan 8.240 nan 0.000 0.454 80 L N 0.375 121.579 121.223 -0.032 0.000 2.072 80 L HA -0.011 4.331 4.340 0.005 0.000 0.205 80 L C 2.660 179.564 176.870 0.056 0.000 1.079 80 L CA 1.030 55.829 54.840 -0.067 0.000 0.752 80 L CB -0.432 41.483 42.059 -0.239 0.000 0.906 80 L HN 0.137 nan 8.230 nan 0.000 0.436 81 K N 0.984 121.502 120.400 0.197 0.000 2.063 81 K HA -0.155 4.167 4.320 0.005 0.000 0.208 81 K C 1.982 178.678 176.600 0.160 0.000 1.048 81 K CA 1.680 58.139 56.287 0.287 0.000 0.928 81 K CB -0.361 32.297 32.500 0.263 0.000 0.713 81 K HN 0.229 nan 8.250 nan 0.000 0.442 82 A N 0.567 123.447 122.820 0.101 0.000 2.015 82 A HA -0.099 4.224 4.320 0.005 0.000 0.219 82 A C 1.927 179.541 177.584 0.050 0.000 1.163 82 A CA 1.369 53.448 52.037 0.069 0.000 0.646 82 A CB -0.357 18.673 19.000 0.050 0.000 0.806 82 A HN 0.336 nan 8.150 nan 0.000 0.448 83 R N -1.545 118.976 120.500 0.036 0.000 2.275 83 R HA 0.156 4.499 4.340 0.005 0.000 0.199 83 R C 1.214 177.526 176.300 0.020 0.000 0.989 83 R CA 0.547 56.655 56.100 0.014 0.000 1.016 83 R CB -0.073 30.217 30.300 -0.016 0.000 0.918 83 R HN 0.678 nan 8.270 nan 0.000 0.473 84 G N 1.816 110.648 108.800 0.054 0.000 2.147 84 G HA2 -0.225 3.738 3.960 0.005 0.000 0.244 84 G HA3 -0.225 3.738 3.960 0.005 0.000 0.244 84 G C -0.307 174.609 174.900 0.026 0.000 1.005 84 G CA -0.240 44.898 45.100 0.064 0.000 0.713 84 G HN 0.187 nan 8.290 nan 0.000 0.515 85 E N 0.734 120.922 120.200 -0.021 0.000 2.415 85 E HA 0.190 4.543 4.350 0.005 0.000 0.263 85 E C 0.620 177.119 176.600 -0.169 0.000 0.995 85 E CA 0.251 56.576 56.400 -0.124 0.000 0.915 85 E CB 0.448 30.011 29.700 -0.228 0.000 0.951 85 E HN 0.640 nan 8.360 nan 0.000 0.449 86 E N 1.777 121.884 120.200 -0.156 0.000 2.026 86 E HA 0.181 4.533 4.350 0.005 0.000 0.253 86 E C -0.553 175.870 176.600 -0.295 0.000 1.056 86 E CA -0.299 56.012 56.400 -0.149 0.000 0.927 86 E CB 0.734 30.415 29.700 -0.031 0.000 1.172 86 E HN 0.121 nan 8.360 nan 0.000 0.445 87 V N 3.349 122.818 119.914 -0.742 0.000 2.614 87 V HA 0.099 4.221 4.120 0.005 0.000 0.291 87 V C 0.359 176.216 176.094 -0.395 0.000 1.049 87 V CA 0.010 61.794 62.300 -0.860 0.000 1.038 87 V CB 0.768 31.507 31.823 -1.808 0.000 0.980 87 V HN 0.491 nan 8.190 nan 0.000 0.481 88 K N 4.218 124.510 120.400 -0.180 0.000 2.426 88 K HA 0.442 4.765 4.320 0.005 0.000 0.254 88 K C -1.296 175.256 176.600 -0.081 0.000 0.936 88 K CA -0.655 55.648 56.287 0.028 0.000 0.801 88 K CB 2.330 34.946 32.500 0.194 0.000 1.139 88 K HN 0.513 nan 8.250 nan 0.000 0.424 89 F N 3.796 123.610 119.950 -0.227 0.000 2.391 89 F HA 0.254 4.784 4.527 0.005 0.000 0.359 89 F C -0.091 175.338 175.800 -0.618 0.000 1.122 89 F CA -1.420 56.390 58.000 -0.318 0.000 1.120 89 F CB 0.529 39.486 39.000 -0.071 0.000 1.142 89 F HN 0.386 nan 8.300 nan 0.000 0.483 90 N N 4.991 123.123 118.700 -0.946 0.000 2.439 90 N HA 0.260 5.002 4.740 0.005 0.000 0.243 90 N C -0.038 174.756 175.510 -1.193 0.000 1.088 90 N CA 0.160 52.332 53.050 -1.463 0.000 0.940 90 N CB 1.184 39.176 38.487 -0.825 0.000 1.180 90 N HN 0.707 nan 8.380 nan 0.000 0.505 91 A N 2.697 124.763 122.820 -1.257 0.000 2.411 91 A HA 0.129 4.452 4.320 0.005 0.000 0.251 91 A C 1.532 178.878 177.584 -0.396 0.000 1.317 91 A CA -0.226 51.253 52.037 -0.929 0.000 0.904 91 A CB -0.152 18.436 19.000 -0.685 0.000 0.993 91 A HN 0.615 nan 8.150 nan 0.000 0.504 92 S N -0.778 114.727 115.700 -0.324 0.000 2.423 92 S HA -0.043 4.430 4.470 0.005 0.000 0.231 92 S C 0.716 175.286 174.600 -0.051 0.000 1.014 92 S CA 0.723 58.844 58.200 -0.130 0.000 0.965 92 S CB -0.323 62.840 63.200 -0.062 0.000 0.785 92 S HN 0.726 nan 8.310 nan 0.000 0.495 93 C N -0.215 119.064 119.300 -0.035 0.000 2.971 93 C HA 0.854 5.317 4.460 0.005 0.000 0.310 93 C C 0.577 175.608 174.990 0.067 0.000 1.285 93 C CA -0.450 58.588 59.018 0.033 0.000 1.593 93 C CB 0.972 28.747 27.740 0.059 0.000 2.076 93 C HN 0.613 nan 8.230 nan 0.000 0.472 94 G N 0.794 109.645 108.800 0.086 0.000 2.592 94 G HA2 0.093 4.056 3.960 0.005 0.000 0.685 94 G HA3 0.093 4.056 3.960 0.005 0.000 0.685 94 G C -1.178 173.787 174.900 0.109 0.000 1.278 94 G CA -1.061 44.105 45.100 0.109 0.000 0.822 94 G HN 0.825 nan 8.290 nan 0.000 0.652 95 L N 1.127 122.428 121.223 0.130 0.000 2.543 95 L HA 0.104 4.447 4.340 0.005 0.000 0.285 95 L C 2.304 179.291 176.870 0.194 0.000 1.236 95 L CA 0.019 54.972 54.840 0.187 0.000 0.871 95 L CB 0.342 42.588 42.059 0.312 0.000 1.121 95 L HN 0.791 nan 8.230 nan 0.000 0.501 96 R N 0.844 121.460 120.500 0.192 0.000 2.120 96 R HA -0.169 4.174 4.340 0.005 0.000 0.234 96 R C 2.210 178.614 176.300 0.174 0.000 1.123 96 R CA 1.320 57.507 56.100 0.144 0.000 0.975 96 R CB -0.352 30.003 30.300 0.093 0.000 0.866 96 R HN 0.749 nan 8.270 nan 0.000 0.446 97 H N 0.754 119.850 119.070 0.043 0.000 2.321 97 H HA -0.041 4.518 4.556 0.004 0.000 0.300 97 H C 1.642 176.999 175.328 0.048 0.000 1.087 97 H CA 1.387 57.458 56.048 0.039 0.000 1.319 97 H CB -0.404 29.376 29.762 0.030 0.000 1.379 97 H HN 0.102 nan 8.280 nan 0.000 0.501 98 R N 0.088 120.300 120.500 -0.481 0.000 2.075 98 R HA -0.020 4.323 4.340 0.005 0.000 0.232 98 R C 2.741 179.014 176.300 -0.045 0.000 1.126 98 R CA 1.115 57.026 56.100 -0.315 0.000 0.963 98 R CB -0.305 29.818 30.300 -0.294 0.000 0.858 98 R HN 0.224 nan 8.270 nan 0.000 0.435 99 L N 1.108 122.366 121.223 0.057 0.000 2.012 99 L HA -0.165 4.178 4.340 0.005 0.000 0.210 99 L C 1.892 178.890 176.870 0.214 0.000 1.073 99 L CA 1.770 56.726 54.840 0.193 0.000 0.748 99 L CB -0.281 41.874 42.059 0.160 0.000 0.891 99 L HN 0.152 nan 8.230 nan 0.000 0.431 100 L N -1.536 119.762 121.223 0.125 0.000 2.291 100 L HA -0.092 4.251 4.340 0.005 0.000 0.214 100 L C 2.367 179.294 176.870 0.094 0.000 1.120 100 L CA 0.776 55.688 54.840 0.121 0.000 0.799 100 L CB -0.543 41.552 42.059 0.060 0.000 0.925 100 L HN 0.231 nan 8.230 nan 0.000 0.446 101 S N 0.410 116.121 115.700 0.020 0.000 2.355 101 S HA -0.117 4.356 4.470 0.005 0.000 0.222 101 S C 2.281 176.787 174.600 -0.156 0.000 1.031 101 S CA 1.169 59.338 58.200 -0.051 0.000 0.993 101 S CB -0.239 62.913 63.200 -0.079 0.000 0.859 101 S HN 0.479 nan 8.310 nan 0.000 0.453 102 A N 0.723 123.409 122.820 -0.224 0.000 1.908 102 A HA -0.155 4.168 4.320 0.005 0.000 0.218 102 A C 1.943 179.168 177.584 -0.598 0.000 1.181 102 A CA 1.717 53.382 52.037 -0.620 0.000 0.627 102 A CB -1.089 17.555 19.000 -0.593 0.000 0.818 102 A HN 0.567 nan 8.150 nan 0.000 0.445 103 Y N 0.493 120.711 120.300 -0.136 0.000 2.114 103 Y HA -0.273 4.280 4.550 0.006 0.000 0.282 103 Y C 2.422 178.318 175.900 -0.007 0.000 1.165 103 Y CA 2.450 60.624 58.100 0.122 0.000 1.148 103 Y CB -0.235 38.370 38.460 0.241 0.000 0.972 103 Y HN 0.538 nan 8.280 nan 0.000 0.504 104 E N -0.645 119.611 120.200 0.094 0.000 2.051 104 E HA -0.200 4.153 4.350 0.005 0.000 0.192 104 E C 2.127 178.648 176.600 -0.131 0.000 0.991 104 E CA 1.893 58.297 56.400 0.007 0.000 0.799 104 E CB -0.229 29.477 29.700 0.010 0.000 0.748 104 E HN 0.378 nan 8.360 nan 0.000 0.449 105 V N 0.685 120.464 119.914 -0.225 0.000 2.261 105 V HA -0.248 3.875 4.120 0.005 0.000 0.246 105 V C 2.226 178.299 176.094 -0.035 0.000 1.047 105 V CA 1.829 64.005 62.300 -0.207 0.000 1.015 105 V CB -0.686 30.901 31.823 -0.395 0.000 0.642 105 V HN 0.265 nan 8.190 nan 0.000 0.446 106 F N 0.543 120.437 119.950 -0.094 0.000 2.186 106 F HA -0.054 4.476 4.527 0.004 0.000 0.299 106 F C 2.517 178.272 175.800 -0.075 0.000 1.090 106 F CA 1.433 59.440 58.000 0.011 0.000 1.307 106 F CB -0.985 37.982 39.000 -0.055 0.000 1.019 106 F HN 0.075 nan 8.300 nan 0.000 0.489 107 R N 1.272 121.708 120.500 -0.107 0.000 2.096 107 R HA -0.153 4.189 4.340 0.005 0.000 0.235 107 R C 2.240 178.354 176.300 -0.309 0.000 1.127 107 R CA 1.824 57.739 56.100 -0.309 0.000 0.968 107 R CB -0.890 29.074 30.300 -0.560 0.000 0.861 107 R HN 0.288 nan 8.270 nan 0.000 0.440 108 S N -1.282 114.240 115.700 -0.296 0.000 2.447 108 S HA -0.132 4.340 4.470 0.005 0.000 0.233 108 S C 1.557 175.681 174.600 -0.793 0.000 1.006 108 S CA 0.748 58.664 58.200 -0.473 0.000 0.957 108 S CB -0.488 62.464 63.200 -0.413 0.000 0.773 108 S HN 0.467 nan 8.310 nan 0.000 0.507 109 Y N 1.435 121.336 120.300 -0.664 0.000 2.529 109 Y HA 0.180 4.732 4.550 0.004 0.000 0.290 109 Y C 0.647 176.063 175.900 -0.806 0.000 1.177 109 Y CA 0.302 57.828 58.100 -0.957 0.000 1.305 109 Y CB -0.357 37.115 38.460 -1.646 0.000 1.047 109 Y HN 0.333 nan 8.280 nan 0.000 0.522 110 H N -3.415 115.547 119.070 -0.180 0.000 2.899 110 H HA -0.213 4.346 4.556 0.004 0.000 0.282 110 H C -0.679 174.847 175.328 0.330 0.000 1.198 110 H CA 0.598 56.714 56.048 0.113 0.000 1.140 110 H CB -1.940 27.868 29.762 0.078 0.000 1.317 110 H HN 0.290 nan 8.280 nan 0.000 0.375 111 W N 1.709 123.233 121.300 0.375 0.000 2.316 111 W HA 0.319 4.981 4.660 0.004 0.000 0.321 111 W C -1.841 174.900 176.519 0.370 0.000 1.203 111 W CA -2.382 55.124 57.345 0.268 0.000 1.214 111 W CB 0.124 29.643 29.460 0.099 0.000 1.169 111 W HN -0.008 nan 8.180 nan 0.000 0.561 112 P HA 0.154 nan 4.420 nan 0.000 0.269 112 P C -0.432 177.200 177.300 0.554 0.000 1.209 112 P CA 0.370 63.747 63.100 0.461 0.000 0.776 112 P CB 0.719 32.622 31.700 0.339 0.000 0.876 113 I N 2.941 123.870 120.570 0.598 0.000 2.569 113 I HA 0.494 4.667 4.170 0.005 0.000 0.290 113 I C -0.357 175.951 176.117 0.318 0.000 1.088 113 I CA -0.801 60.733 61.300 0.391 0.000 1.047 113 I CB 1.287 39.546 38.000 0.431 0.000 1.237 113 I HN 0.282 nan 8.210 nan 0.000 0.421 114 F N 5.010 124.889 119.950 -0.118 0.000 2.629 114 F HA 0.931 5.461 4.527 0.004 0.000 0.316 114 F C -1.552 174.051 175.800 -0.329 0.000 1.081 114 F CA -1.209 56.565 58.000 -0.376 0.000 0.954 114 F CB 1.325 39.698 39.000 -1.046 0.000 1.337 114 F HN 0.040 nan 8.300 nan 0.000 0.474 115 V N 2.078 121.981 119.914 -0.019 0.000 2.760 115 V HA 0.451 4.574 4.120 0.005 0.000 0.309 115 V C -0.864 175.255 176.094 0.042 0.000 1.077 115 V CA -0.962 61.310 62.300 -0.046 0.000 0.910 115 V CB 1.962 33.746 31.823 -0.064 0.000 1.008 115 V HN 0.795 nan 8.190 nan 0.000 0.424 116 V N 3.818 123.766 119.914 0.057 0.000 2.389 116 V HA 0.240 4.363 4.120 0.005 0.000 0.264 116 V C 0.568 176.670 176.094 0.014 0.000 1.049 116 V CA -0.348 61.968 62.300 0.027 0.000 0.932 116 V CB 1.030 32.883 31.823 0.049 0.000 1.011 116 V HN 0.843 nan 8.190 nan 0.000 0.475 117 E N 9.039 129.243 120.200 0.006 0.000 2.351 117 E HA 0.087 4.440 4.350 0.005 0.000 0.266 117 E C -1.533 175.080 176.600 0.021 0.000 1.031 117 E CA -1.610 54.797 56.400 0.012 0.000 0.911 117 E CB 1.710 31.416 29.700 0.010 0.000 0.986 117 E HN 0.380 nan 8.360 nan 0.000 0.446 118 P HA -0.087 nan 4.420 nan 0.000 0.222 118 P C 0.609 177.932 177.300 0.038 0.000 1.153 118 P CA 0.823 63.948 63.100 0.042 0.000 0.798 118 P CB 0.450 32.179 31.700 0.048 0.000 0.796 119 N N 0.358 119.075 118.700 0.029 0.000 2.135 119 N HA -0.076 4.667 4.740 0.005 0.000 0.186 119 N C 1.961 177.484 175.510 0.022 0.000 1.027 119 N CA 1.869 54.934 53.050 0.026 0.000 0.849 119 N CB -0.527 37.974 38.487 0.023 0.000 1.002 119 N HN 0.266 nan 8.380 nan 0.000 0.425 120 S N 0.079 115.790 115.700 0.018 0.000 2.446 120 S HA -0.036 4.437 4.470 0.005 0.000 0.225 120 S C 0.597 175.203 174.600 0.010 0.000 1.016 120 S CA 0.722 58.930 58.200 0.013 0.000 0.943 120 S CB 0.142 63.349 63.200 0.012 0.000 0.786 120 S HN 0.198 nan 8.310 nan 0.000 0.508 121 D N -0.366 120.042 120.400 0.013 0.000 3.041 121 D HA -0.146 4.497 4.640 0.005 0.000 0.220 121 D C -0.887 175.408 176.300 -0.009 0.000 1.157 121 D CA 0.640 54.646 54.000 0.009 0.000 0.876 121 D CB -2.210 38.598 40.800 0.013 0.000 1.107 121 D HN 0.604 nan 8.370 nan 0.000 0.422 122 C N 0.628 119.922 119.300 -0.011 0.000 2.514 122 C HA 0.524 4.987 4.460 0.005 0.000 0.392 122 C C 1.027 175.982 174.990 -0.059 0.000 1.294 122 C CA -1.024 57.977 59.018 -0.028 0.000 1.957 122 C CB -0.003 27.729 27.740 -0.012 0.000 2.541 122 C HN 0.450 nan 8.230 nan 0.000 0.569 123 L N 3.651 124.803 121.223 -0.119 0.000 2.313 123 L HA 0.397 4.740 4.340 0.005 0.000 0.282 123 L C -0.568 176.134 176.870 -0.280 0.000 1.092 123 L CA 0.267 54.962 54.840 -0.242 0.000 0.831 123 L CB 0.005 41.804 42.059 -0.433 0.000 1.159 123 L HN 0.799 nan 8.230 nan 0.000 0.442 124 C N 4.122 123.275 119.300 -0.245 0.000 2.345 124 C HA 0.370 4.833 4.460 0.005 0.000 0.323 124 C C -0.677 174.213 174.990 -0.166 0.000 1.276 124 C CA -0.905 58.040 59.018 -0.123 0.000 1.543 124 C CB 0.430 28.163 27.740 -0.011 0.000 2.211 124 C HN 0.824 nan 8.230 nan 0.000 0.493 125 W N 3.829 125.195 121.300 0.110 0.000 2.387 125 W HA 0.426 5.088 4.660 0.004 0.000 0.310 125 W C 0.886 177.497 176.519 0.153 0.000 1.181 125 W CA -0.478 56.951 57.345 0.140 0.000 1.333 125 W CB 0.332 29.836 29.460 0.075 0.000 1.286 125 W HN 0.638 nan 8.180 nan 0.000 0.455 126 L N 3.284 124.748 121.223 0.403 0.000 2.209 126 L HA 0.024 4.367 4.340 0.005 0.000 0.207 126 L C -0.089 177.069 176.870 0.481 0.000 1.094 126 L CA 0.827 55.892 54.840 0.374 0.000 0.790 126 L CB -0.261 42.015 42.059 0.361 0.000 0.932 126 L HN 0.416 nan 8.230 nan 0.000 0.447 127 Y N 0.449 120.974 120.300 0.376 0.000 2.390 127 Y HA 0.373 4.925 4.550 0.004 0.000 0.324 127 Y C -2.869 173.215 175.900 0.307 0.000 1.151 127 Y CA -2.821 55.457 58.100 0.296 0.000 1.053 127 Y CB 1.506 40.120 38.460 0.256 0.000 1.277 127 Y HN -0.245 nan 8.280 nan 0.000 0.432 128 P HA 0.129 nan 4.420 nan 0.000 0.280 128 P C 0.033 177.311 177.300 -0.038 0.000 1.244 128 P CA 0.134 62.977 63.100 -0.428 0.000 0.784 128 P CB 1.432 32.839 31.700 -0.488 0.000 0.913 129 E N 2.550 122.806 120.200 0.094 0.000 2.333 129 E HA -0.101 4.251 4.350 0.005 0.000 0.198 129 E C 2.057 178.692 176.600 0.059 0.000 1.007 129 E CA 1.194 57.674 56.400 0.133 0.000 0.845 129 E CB -0.732 29.051 29.700 0.139 0.000 0.766 129 E HN 0.706 nan 8.360 nan 0.000 0.507 130 G N 1.208 109.995 108.800 -0.021 0.000 2.470 130 G HA2 -0.178 3.785 3.960 0.005 0.000 0.220 130 G HA3 -0.178 3.785 3.960 0.005 0.000 0.220 130 G C 0.961 175.795 174.900 -0.111 0.000 1.121 130 G CA -0.037 45.029 45.100 -0.057 0.000 0.766 130 G HN 0.156 nan 8.290 nan 0.000 0.553 131 N N 1.173 119.743 118.700 -0.217 0.000 2.416 131 N HA 0.056 4.798 4.740 0.005 0.000 0.246 131 N C -0.241 175.182 175.510 -0.144 0.000 1.260 131 N CA 0.077 52.870 53.050 -0.428 0.000 0.897 131 N CB 0.328 38.091 38.487 -1.208 0.000 1.110 131 N HN 0.130 nan 8.380 nan 0.000 0.439 132 N N 1.431 120.078 118.700 -0.088 0.000 2.434 132 N HA 0.129 4.872 4.740 0.005 0.000 0.272 132 N C -0.947 174.752 175.510 0.315 0.000 1.040 132 N CA -0.404 52.712 53.050 0.111 0.000 0.956 132 N CB 0.828 39.341 38.487 0.043 0.000 1.108 132 N HN 0.371 nan 8.380 nan 0.000 0.481 133 D N 1.141 121.715 120.400 0.290 0.000 2.399 133 D HA 0.149 4.792 4.640 0.005 0.000 0.241 133 D C 0.760 177.129 176.300 0.115 0.000 1.133 133 D CA 0.476 54.599 54.000 0.206 0.000 0.890 133 D CB 0.747 41.612 40.800 0.109 0.000 1.201 133 D HN 0.491 nan 8.370 nan 0.000 0.432 134 T N -1.640 112.944 114.554 0.051 0.000 2.883 134 T HA 0.465 4.818 4.350 0.005 0.000 0.296 134 T C -0.499 174.189 174.700 -0.020 0.000 1.117 134 T CA -1.145 60.968 62.100 0.022 0.000 1.006 134 T CB 1.823 70.710 68.868 0.031 0.000 1.191 134 T HN 0.119 nan 8.240 nan 0.000 0.508 135 Q N 1.453 121.243 119.800 -0.017 0.000 2.279 135 Q HA 0.481 4.824 4.340 0.005 0.000 0.256 135 Q C -0.706 175.271 176.000 -0.039 0.000 0.937 135 Q CA -0.525 55.262 55.803 -0.026 0.000 0.933 135 Q CB 0.527 29.254 28.738 -0.018 0.000 1.189 135 Q HN 0.657 nan 8.270 nan 0.000 0.417 136 V N 5.237 125.124 119.914 -0.045 0.000 2.673 136 V HA -0.044 4.079 4.120 0.005 0.000 0.303 136 V C 0.710 176.779 176.094 -0.042 0.000 1.046 136 V CA 0.081 62.352 62.300 -0.047 0.000 1.126 136 V CB 0.468 32.269 31.823 -0.037 0.000 0.934 136 V HN 0.847 nan 8.190 nan 0.000 0.487 137 Q N 2.384 122.152 119.800 -0.053 0.000 2.535 137 Q HA 0.149 4.492 4.340 0.005 0.000 0.228 137 Q C -0.727 175.237 176.000 -0.059 0.000 1.062 137 Q CA -0.228 55.530 55.803 -0.075 0.000 0.967 137 Q CB 0.460 29.123 28.738 -0.125 0.000 1.273 137 Q HN 0.630 nan 8.270 nan 0.000 0.554 138 D N 1.142 121.499 120.400 -0.071 0.000 2.477 138 D HA 0.179 4.822 4.640 0.005 0.000 0.239 138 D C 0.232 176.500 176.300 -0.053 0.000 1.102 138 D CA -0.171 53.800 54.000 -0.049 0.000 0.901 138 D CB 0.810 41.574 40.800 -0.061 0.000 1.026 138 D HN 0.288 nan 8.370 nan 0.000 0.515 139 R N 0.765 121.249 120.500 -0.026 0.000 2.350 139 R HA 0.241 4.584 4.340 0.005 0.000 0.199 139 R C 1.042 177.350 176.300 0.014 0.000 0.876 139 R CA -0.376 55.713 56.100 -0.019 0.000 1.062 139 R CB 0.461 30.754 30.300 -0.012 0.000 1.263 139 R HN 0.366 nan 8.270 nan 0.000 0.641 140 I N 3.545 124.137 120.570 0.036 0.000 2.815 140 I HA -0.092 4.081 4.170 0.005 0.000 0.291 140 I C 0.356 176.530 176.117 0.095 0.000 1.209 140 I CA 0.786 62.123 61.300 0.061 0.000 1.431 140 I CB 0.753 38.790 38.000 0.061 0.000 1.351 140 I HN 0.241 nan 8.210 nan 0.000 0.585 141 T N 4.020 118.625 114.554 0.086 0.000 2.936 141 T HA 0.380 4.733 4.350 0.005 0.000 0.282 141 T C 1.344 176.148 174.700 0.173 0.000 1.003 141 T CA -0.742 61.401 62.100 0.072 0.000 1.005 141 T CB 1.466 70.323 68.868 -0.018 0.000 1.097 141 T HN 0.521 nan 8.240 nan 0.000 0.532 142 I N 0.914 121.566 120.570 0.136 0.000 2.194 142 I HA -0.177 3.995 4.170 0.005 0.000 0.246 142 I C 3.002 179.314 176.117 0.326 0.000 1.093 142 I CA 1.841 63.285 61.300 0.240 0.000 1.355 142 I CB -0.793 37.371 38.000 0.274 0.000 1.046 142 I HN 0.873 nan 8.210 nan 0.000 0.413 143 A N 0.334 123.270 122.820 0.194 0.000 1.902 143 A HA -0.241 4.081 4.320 0.005 0.000 0.217 143 A C 1.999 179.706 177.584 0.205 0.000 1.181 143 A CA 2.127 54.319 52.037 0.257 0.000 0.623 143 A CB -0.578 18.429 19.000 0.012 0.000 0.818 143 A HN 0.348 nan 8.150 nan 0.000 0.443 144 D N -1.773 118.709 120.400 0.136 0.000 2.117 144 D HA -0.116 4.527 4.640 0.005 0.000 0.198 144 D C 1.665 178.027 176.300 0.102 0.000 0.982 144 D CA 1.144 55.192 54.000 0.080 0.000 0.828 144 D CB -0.369 40.452 40.800 0.036 0.000 0.967 144 D HN 0.551 nan 8.370 nan 0.000 0.464 145 Y N 1.100 121.476 120.300 0.128 0.000 2.145 145 Y HA -0.131 4.421 4.550 0.004 0.000 0.286 145 Y C 2.384 178.438 175.900 0.255 0.000 1.145 145 Y CA 1.094 59.315 58.100 0.201 0.000 1.148 145 Y CB -0.291 38.283 38.460 0.191 0.000 0.981 145 Y HN -0.061 nan 8.280 nan 0.000 0.507 146 L N -1.521 119.936 121.223 0.390 0.000 2.046 146 L HA -0.253 4.090 4.340 0.005 0.000 0.208 146 L C 2.294 179.294 176.870 0.216 0.000 1.077 146 L CA 1.735 56.754 54.840 0.299 0.000 0.747 146 L CB -1.087 41.113 42.059 0.235 0.000 0.896 146 L HN 0.146 nan 8.230 nan 0.000 0.432 147 T N 0.444 115.087 114.554 0.147 0.000 2.652 147 T HA -0.192 4.160 4.350 0.005 0.000 0.267 147 T C 1.941 176.634 174.700 -0.012 0.000 1.039 147 T CA 1.551 63.686 62.100 0.058 0.000 1.153 147 T CB -0.300 68.581 68.868 0.022 0.000 0.863 147 T HN 0.190 nan 8.240 nan 0.000 0.428 148 I N -0.025 120.508 120.570 -0.062 0.000 2.194 148 I HA -0.183 3.990 4.170 0.005 0.000 0.246 148 I C 1.420 177.332 176.117 -0.341 0.000 1.093 148 I CA 1.550 62.690 61.300 -0.266 0.000 1.355 148 I CB -0.317 37.431 38.000 -0.419 0.000 1.046 148 I HN 0.193 nan 8.210 nan 0.000 0.413 149 F N 0.415 120.370 119.950 0.008 0.000 2.664 149 F HA 0.288 4.818 4.527 0.004 0.000 0.301 149 F C 1.537 177.348 175.800 0.020 0.000 1.126 149 F CA 0.472 58.488 58.000 0.026 0.000 1.373 149 F CB 0.167 39.214 39.000 0.078 0.000 1.042 149 F HN 0.149 nan 8.300 nan 0.000 0.535 150 G N 0.335 109.198 108.800 0.106 0.000 2.132 150 G HA2 -0.007 3.956 3.960 0.005 0.000 0.234 150 G HA3 -0.007 3.956 3.960 0.005 0.000 0.234 150 G C 0.052 175.001 174.900 0.082 0.000 0.989 150 G CA -0.105 45.033 45.100 0.064 0.000 0.676 150 G HN 0.689 nan 8.290 nan 0.000 0.522 151 A N -0.633 122.253 122.820 0.109 0.000 2.437 151 A HA 1.018 5.341 4.320 0.005 0.000 0.292 151 A C 0.030 177.683 177.584 0.115 0.000 1.173 151 A CA 0.030 52.133 52.037 0.108 0.000 0.785 151 A CB 1.533 20.598 19.000 0.109 0.000 1.351 151 A HN 1.324 nan 8.150 nan 0.000 0.431 152 R N 0.206 120.784 120.500 0.129 0.000 2.604 152 R HA 0.581 4.923 4.340 0.005 0.000 0.281 152 R C -0.559 175.826 176.300 0.141 0.000 1.020 152 R CA -0.136 56.049 56.100 0.141 0.000 0.899 152 R CB 1.755 32.129 30.300 0.123 0.000 1.205 152 R HN 1.116 nan 8.270 nan 0.000 0.450 153 G N 2.095 110.946 108.800 0.086 0.000 2.400 153 G HA2 0.396 4.359 3.960 0.005 0.000 0.333 153 G HA3 0.396 4.359 3.960 0.005 0.000 0.333 153 G C -1.084 173.693 174.900 -0.205 0.000 1.143 153 G CA -0.563 44.417 45.100 -0.200 0.000 0.914 153 G HN 0.618 nan 8.290 nan 0.000 0.480 154 E N 0.159 120.200 120.200 -0.265 0.000 2.171 154 E HA 0.431 4.784 4.350 0.005 0.000 0.271 154 E C -1.296 175.121 176.600 -0.306 0.000 0.916 154 E CA -0.327 56.008 56.400 -0.108 0.000 0.774 154 E CB 2.053 31.811 29.700 0.097 0.000 1.128 154 E HN 0.329 nan 8.360 nan 0.000 0.403 155 F N 2.036 122.018 119.950 0.054 0.000 2.495 155 F HA 0.284 4.813 4.527 0.004 0.000 0.327 155 F C 0.888 176.700 175.800 0.020 0.000 1.103 155 F CA -1.063 56.956 58.000 0.031 0.000 0.949 155 F CB 1.002 40.022 39.000 0.032 0.000 1.142 155 F HN 0.345 nan 8.300 nan 0.000 0.457 162 P HA -0.029 nan 4.420 nan 0.000 0.216 162 P C 1.204 178.498 177.300 -0.010 0.000 1.150 162 P CA 1.372 64.467 63.100 -0.008 0.000 0.837 162 P CB -0.034 31.660 31.700 -0.009 0.000 0.786 163 Q N -1.376 118.418 119.800 -0.010 0.000 2.096 163 Q HA -0.080 4.263 4.340 0.005 0.000 0.197 163 Q C 2.028 178.015 176.000 -0.021 0.000 0.964 163 Q CA 0.676 56.471 55.803 -0.012 0.000 0.838 163 Q CB -0.706 28.026 28.738 -0.011 0.000 0.906 163 Q HN 0.123 nan 8.270 nan 0.000 0.444 164 L N 1.604 122.811 121.223 -0.026 0.000 2.017 164 L HA -0.206 4.136 4.340 0.005 0.000 0.208 164 L C 1.408 178.246 176.870 -0.053 0.000 1.073 164 L CA 1.979 56.791 54.840 -0.048 0.000 0.745 164 L CB -0.645 41.390 42.059 -0.041 0.000 0.894 164 L HN 0.134 nan 8.230 nan 0.000 0.432 165 D N -0.811 119.578 120.400 -0.019 0.000 2.123 165 D HA -0.272 4.370 4.640 0.005 0.000 0.196 165 D C 2.078 178.403 176.300 0.041 0.000 0.992 165 D CA 1.640 55.647 54.000 0.011 0.000 0.833 165 D CB -0.141 40.669 40.800 0.018 0.000 0.954 165 D HN 0.651 nan 8.370 nan 0.000 0.455 166 Q N 0.132 119.947 119.800 0.026 0.000 2.083 166 Q HA -0.163 4.180 4.340 0.005 0.000 0.198 166 Q C 1.874 177.922 176.000 0.080 0.000 0.969 166 Q CA 0.910 56.757 55.803 0.073 0.000 0.838 166 Q CB 0.084 28.842 28.738 0.033 0.000 0.900 166 Q HN 0.036 nan 8.270 nan 0.000 0.436 167 Q N 0.788 120.582 119.800 -0.009 0.000 2.061 167 Q HA -0.128 4.215 4.340 0.005 0.000 0.204 167 Q C 2.263 178.167 176.000 -0.160 0.000 0.984 167 Q CA 1.367 57.124 55.803 -0.078 0.000 0.846 167 Q CB -0.375 28.299 28.738 -0.108 0.000 0.902 167 Q HN 0.483 nan 8.270 nan 0.000 0.421 168 L N -0.806 120.300 121.223 -0.196 0.000 2.093 168 L HA -0.178 4.165 4.340 0.005 0.000 0.208 168 L C 2.370 179.232 176.870 -0.013 0.000 1.085 168 L CA 1.135 55.760 54.840 -0.359 0.000 0.755 168 L CB -0.580 41.242 42.059 -0.394 0.000 0.904 168 L HN 0.201 nan 8.230 nan 0.000 0.435 169 Y N 1.182 121.466 120.300 -0.026 0.000 2.145 169 Y HA -0.269 4.283 4.550 0.004 0.000 0.286 169 Y C 2.651 178.559 175.900 0.013 0.000 1.145 169 Y CA 1.655 59.780 58.100 0.041 0.000 1.148 169 Y CB -0.207 38.270 38.460 0.029 0.000 0.981 169 Y HN 0.168 nan 8.280 nan 0.000 0.507 170 Q N -0.076 119.641 119.800 -0.138 0.000 2.172 170 Q HA -0.120 4.223 4.340 0.005 0.000 0.200 170 Q C 2.395 178.217 176.000 -0.297 0.000 0.964 170 Q CA 1.342 56.994 55.803 -0.252 0.000 0.855 170 Q CB -0.133 28.577 28.738 -0.046 0.000 0.918 170 Q HN 0.518 nan 8.270 nan 0.000 0.444 171 L N 0.220 121.260 121.223 -0.305 0.000 2.012 171 L HA -0.166 4.177 4.340 0.005 0.000 0.210 171 L C 2.337 178.796 176.870 -0.686 0.000 1.073 171 L CA 1.353 55.866 54.840 -0.546 0.000 0.748 171 L CB -0.761 40.950 42.059 -0.580 0.000 0.891 171 L HN 0.363 nan 8.230 nan 0.000 0.431 172 G N -0.872 107.761 108.800 -0.277 0.000 2.418 172 G HA2 -0.262 3.701 3.960 0.005 0.000 0.217 172 G HA3 -0.262 3.701 3.960 0.005 0.000 0.217 172 G C 1.356 176.230 174.900 -0.043 0.000 1.158 172 G CA 0.593 45.674 45.100 -0.031 0.000 0.771 172 G HN 0.402 nan 8.290 nan 0.000 0.545 173 E N 0.066 120.132 120.200 -0.223 0.000 2.070 173 E HA -0.172 4.181 4.350 0.005 0.000 0.197 173 E C 2.854 179.419 176.600 -0.058 0.000 1.004 173 E CA 0.825 57.121 56.400 -0.173 0.000 0.805 173 E CB -0.041 29.470 29.700 -0.316 0.000 0.744 173 E HN 0.178 nan 8.360 nan 0.000 0.451 174 R N 0.106 120.534 120.500 -0.120 0.000 2.066 174 R HA -0.132 4.211 4.340 0.005 0.000 0.232 174 R C 2.001 178.383 176.300 0.137 0.000 1.131 174 R CA 1.031 57.122 56.100 -0.015 0.000 0.955 174 R CB -0.776 29.494 30.300 -0.050 0.000 0.851 174 R HN 0.350 nan 8.270 nan 0.000 0.432 175 W N 0.805 122.005 121.300 -0.166 0.000 2.381 175 W HA 0.121 4.784 4.660 0.004 0.000 0.301 175 W C 2.413 178.930 176.519 -0.003 0.000 1.205 175 W CA 0.361 57.536 57.345 -0.283 0.000 1.285 175 W CB -1.175 27.735 29.460 -0.917 0.000 1.133 175 W HN 0.173 nan 8.180 nan 0.000 0.521 176 A N 0.417 123.446 122.820 0.349 0.000 1.930 176 A HA -0.172 4.150 4.320 0.005 0.000 0.217 176 A C 2.142 179.891 177.584 0.276 0.000 1.175 176 A CA 2.493 54.806 52.037 0.460 0.000 0.627 176 A CB -1.069 18.169 19.000 0.397 0.000 0.815 176 A HN 0.230 nan 8.150 nan 0.000 0.443 177 S N -1.015 114.794 115.700 0.182 0.000 2.558 177 S HA 0.063 4.535 4.470 0.005 0.000 0.217 177 S C 0.642 175.301 174.600 0.099 0.000 0.975 177 S CA 0.389 58.660 58.200 0.118 0.000 0.912 177 S CB -0.164 63.083 63.200 0.078 0.000 0.776 177 S HN 0.486 nan 8.310 nan 0.000 0.526 178 N N 0.977 119.750 118.700 0.122 0.000 2.541 178 N HA 0.438 5.181 4.740 0.005 0.000 0.297 178 N C 0.909 176.472 175.510 0.088 0.000 1.503 178 N CA 0.509 53.609 53.050 0.084 0.000 0.919 178 N CB 1.098 39.634 38.487 0.082 0.000 1.305 178 N HN 0.424 nan 8.380 nan 0.000 0.501 179 A N 0.502 123.382 122.820 0.100 0.000 1.902 179 A HA -0.055 4.268 4.320 0.005 0.000 0.217 179 A C 2.128 179.576 177.584 -0.226 0.000 1.181 179 A CA 0.940 53.000 52.037 0.038 0.000 0.623 179 A CB -0.305 18.668 19.000 -0.046 0.000 0.818 179 A HN 0.297 nan 8.150 nan 0.000 0.443 180 L N -0.853 120.266 121.223 -0.174 0.000 2.093 180 L HA -0.170 4.173 4.340 0.005 0.000 0.208 180 L C 2.671 179.476 176.870 -0.109 0.000 1.085 180 L CA 1.694 56.428 54.840 -0.176 0.000 0.755 180 L CB -0.567 41.417 42.059 -0.125 0.000 0.904 180 L HN 0.629 nan 8.230 nan 0.000 0.435 181 E N 0.808 120.973 120.200 -0.059 0.000 2.153 181 E HA -0.212 4.140 4.350 0.005 0.000 0.194 181 E C 2.073 178.646 176.600 -0.044 0.000 0.988 181 E CA 1.076 57.451 56.400 -0.040 0.000 0.811 181 E CB 0.095 29.785 29.700 -0.016 0.000 0.746 181 E HN 0.511 nan 8.360 nan 0.000 0.466 182 L N -0.252 120.956 121.223 -0.025 0.000 2.585 182 L HA 0.200 4.543 4.340 0.005 0.000 0.226 182 L C 2.175 179.057 176.870 0.020 0.000 1.113 182 L CA 0.104 54.923 54.840 -0.036 0.000 0.876 182 L CB -0.079 41.938 42.059 -0.071 0.000 1.072 182 L HN 0.227 nan 8.230 nan 0.000 0.468 183 G N 2.380 111.188 108.800 0.014 0.000 2.875 183 G HA2 -0.296 3.667 3.960 0.005 0.000 0.220 183 G HA3 -0.296 3.667 3.960 0.005 0.000 0.220 183 G C -0.703 174.225 174.900 0.046 0.000 1.293 183 G CA 1.207 46.324 45.100 0.028 0.000 0.789 183 G HN 0.252 nan 8.290 nan 0.000 0.677 184 P HA -0.096 nan 4.420 nan 0.000 0.216 184 P C 2.030 179.272 177.300 -0.098 0.000 1.154 184 P CA 2.012 65.061 63.100 -0.086 0.000 0.865 184 P CB -0.564 31.053 31.700 -0.139 0.000 0.789 185 G N -0.850 107.887 108.800 -0.105 0.000 2.432 185 G HA2 -0.203 3.760 3.960 0.005 0.000 0.219 185 G HA3 -0.203 3.760 3.960 0.005 0.000 0.219 185 G C 1.482 176.295 174.900 -0.144 0.000 1.135 185 G CA 0.421 45.449 45.100 -0.120 0.000 0.767 185 G HN 0.245 nan 8.290 nan 0.000 0.550 186 L N 0.342 121.475 121.223 -0.150 0.000 2.179 186 L HA 0.115 4.458 4.340 0.005 0.000 0.208 186 L C 3.343 180.173 176.870 -0.067 0.000 1.096 186 L CA 0.657 55.369 54.840 -0.213 0.000 0.779 186 L CB -0.245 41.633 42.059 -0.301 0.000 0.922 186 L HN 0.281 nan 8.230 nan 0.000 0.443 187 A N -0.114 122.710 122.820 0.007 0.000 1.892 187 A HA -0.252 4.071 4.320 0.005 0.000 0.218 187 A C 2.328 179.946 177.584 0.056 0.000 1.188 187 A CA 2.621 54.678 52.037 0.034 0.000 0.631 187 A CB -0.982 18.030 19.000 0.021 0.000 0.822 187 A HN 0.400 nan 8.150 nan 0.000 0.447 188 T N -0.246 114.330 114.554 0.036 0.000 2.821 188 T HA -0.078 4.275 4.350 0.005 0.000 0.267 188 T C 1.801 176.593 174.700 0.153 0.000 1.046 188 T CA 1.297 63.466 62.100 0.115 0.000 1.139 188 T CB -0.306 68.647 68.868 0.141 0.000 0.871 188 T HN 0.266 nan 8.240 nan 0.000 0.454 189 L N 2.344 123.600 121.223 0.056 0.000 2.046 189 L HA -0.027 4.316 4.340 0.005 0.000 0.208 189 L C 2.129 179.055 176.870 0.094 0.000 1.077 189 L CA 1.720 56.594 54.840 0.056 0.000 0.747 189 L CB -1.070 40.948 42.059 -0.068 0.000 0.896 189 L HN 0.224 nan 8.230 nan 0.000 0.432 190 N N -1.468 117.269 118.700 0.061 0.000 2.069 190 N HA -0.350 4.393 4.740 0.005 0.000 0.191 190 N C 2.087 177.655 175.510 0.096 0.000 1.031 190 N CA 2.068 55.158 53.050 0.066 0.000 0.852 190 N CB -0.572 37.948 38.487 0.055 0.000 1.018 190 N HN 0.523 nan 8.380 nan 0.000 0.423 191 Y N 0.659 120.979 120.300 0.033 0.000 2.165 191 Y HA -0.141 4.412 4.550 0.004 0.000 0.286 191 Y C 1.862 177.799 175.900 0.062 0.000 1.155 191 Y CA 1.634 59.760 58.100 0.042 0.000 1.164 191 Y CB -0.338 38.148 38.460 0.043 0.000 0.978 191 Y HN 0.138 nan 8.280 nan 0.000 0.513 192 L N 0.056 121.314 121.223 0.058 0.000 2.017 192 L HA -0.232 4.111 4.340 0.005 0.000 0.208 192 L C 2.890 179.788 176.870 0.045 0.000 1.073 192 L CA 1.298 56.149 54.840 0.019 0.000 0.745 192 L CB -1.159 40.995 42.059 0.158 0.000 0.894 192 L HN 0.353 nan 8.230 nan 0.000 0.432 193 A N -0.458 122.428 122.820 0.110 0.000 1.908 193 A HA -0.225 4.098 4.320 0.005 0.000 0.218 193 A C 2.369 179.921 177.584 -0.053 0.000 1.181 193 A CA 2.472 54.528 52.037 0.030 0.000 0.627 193 A CB -0.988 17.967 19.000 -0.075 0.000 0.818 193 A HN 0.422 nan 8.150 nan 0.000 0.445 194 T N -0.405 114.096 114.554 -0.089 0.000 2.821 194 T HA -0.107 4.246 4.350 0.005 0.000 0.267 194 T C 2.000 176.612 174.700 -0.147 0.000 1.046 194 T CA 1.839 63.872 62.100 -0.111 0.000 1.139 194 T CB -0.504 68.303 68.868 -0.102 0.000 0.871 194 T HN 0.566 nan 8.240 nan 0.000 0.454 195 T N 1.366 115.770 114.554 -0.251 0.000 2.720 195 T HA -0.149 4.204 4.350 0.005 0.000 0.268 195 T C 2.319 176.974 174.700 -0.074 0.000 1.037 195 T CA 1.319 63.292 62.100 -0.211 0.000 1.144 195 T CB -0.707 67.978 68.868 -0.306 0.000 0.864 195 T HN 0.468 nan 8.240 nan 0.000 0.444 196 C N 0.916 120.205 119.300 -0.018 0.000 2.436 196 C HA -0.013 4.450 4.460 0.005 0.000 0.277 196 C C 2.831 177.825 174.990 0.007 0.000 1.241 196 C CA 0.463 59.506 59.018 0.041 0.000 1.721 196 C CB -0.990 26.834 27.740 0.141 0.000 2.043 196 C HN 0.542 nan 8.230 nan 0.000 0.472 197 R N 1.250 121.736 120.500 -0.024 0.000 2.094 197 R HA -0.193 4.150 4.340 0.005 0.000 0.239 197 R C 2.175 178.462 176.300 -0.021 0.000 1.137 197 R CA 1.793 57.875 56.100 -0.029 0.000 0.943 197 R CB -0.247 30.026 30.300 -0.045 0.000 0.850 197 R HN 0.547 nan 8.270 nan 0.000 0.433 198 K N -0.141 120.240 120.400 -0.031 0.000 2.209 198 K HA -0.107 4.216 4.320 0.005 0.000 0.204 198 K C 1.662 178.255 176.600 -0.011 0.000 1.048 198 K CA 1.213 57.486 56.287 -0.022 0.000 0.940 198 K CB 0.090 32.572 32.500 -0.031 0.000 0.729 198 K HN 0.331 nan 8.250 nan 0.000 0.451 199 E N 0.524 120.719 120.200 -0.008 0.000 2.474 199 E HA -0.038 4.315 4.350 0.005 0.000 0.194 199 E C -0.265 176.341 176.600 0.010 0.000 1.041 199 E CA 0.123 56.525 56.400 0.003 0.000 0.874 199 E CB 0.398 30.101 29.700 0.006 0.000 0.914 199 E HN 0.246 nan 8.360 nan 0.000 0.498 200 Q N 0.698 120.504 119.800 0.009 0.000 2.468 200 Q HA -0.210 4.132 4.340 0.005 0.000 0.289 200 Q C -0.196 175.819 176.000 0.026 0.000 1.299 200 Q CA 1.007 56.818 55.803 0.015 0.000 0.838 200 Q CB -1.578 27.167 28.738 0.012 0.000 1.195 200 Q HN 0.378 nan 8.270 nan 0.000 0.456 201 K N -1.236 119.187 120.400 0.038 0.000 2.399 201 K HA 0.683 5.006 4.320 0.005 0.000 0.260 201 K C -0.023 176.636 176.600 0.098 0.000 1.049 201 K CA -1.090 55.231 56.287 0.057 0.000 0.890 201 K CB 0.997 33.526 32.500 0.049 0.000 1.430 201 K HN 0.036 nan 8.250 nan 0.000 0.459 202 L N 0.196 121.492 121.223 0.123 0.000 2.906 202 L HA 0.226 4.569 4.340 0.005 0.000 0.255 202 L C -0.745 176.257 176.870 0.220 0.000 1.166 202 L CA -0.232 54.740 54.840 0.219 0.000 0.977 202 L CB 0.103 42.280 42.059 0.197 0.000 1.313 202 L HN 0.767 nan 8.230 nan 0.000 0.549 203 D N -1.091 119.385 120.400 0.125 0.000 2.527 203 D HA 0.553 5.195 4.640 0.005 0.000 0.233 203 D C -0.824 175.515 176.300 0.064 0.000 1.063 203 D CA -0.864 53.174 54.000 0.065 0.000 0.880 203 D CB 3.002 43.821 40.800 0.032 0.000 1.457 203 D HN -0.216 nan 8.370 nan 0.000 0.475 204 V N 0.106 120.046 119.914 0.043 0.000 2.852 204 V HA 0.330 4.453 4.120 0.005 0.000 0.300 204 V C -1.643 174.482 176.094 0.051 0.000 1.205 204 V CA -0.608 61.722 62.300 0.050 0.000 0.940 204 V CB 1.786 33.648 31.823 0.065 0.000 1.047 204 V HN 0.769 nan 8.190 nan 0.000 0.429 205 E N 4.563 124.794 120.200 0.051 0.000 2.200 205 E HA 0.493 4.846 4.350 0.005 0.000 0.283 205 E C -1.175 175.468 176.600 0.071 0.000 1.015 205 E CA -0.707 55.727 56.400 0.056 0.000 0.819 205 E CB 1.340 31.061 29.700 0.035 0.000 1.081 205 E HN 0.592 nan 8.360 nan 0.000 0.397 206 L N 3.311 124.586 121.223 0.087 0.000 2.371 206 L HA 0.133 4.475 4.340 0.005 0.000 0.272 206 L C 0.563 177.451 176.870 0.031 0.000 1.124 206 L CA 0.207 55.089 54.840 0.069 0.000 0.816 206 L CB 1.224 43.331 42.059 0.079 0.000 1.129 206 L HN 0.572 nan 8.230 nan 0.000 0.448 207 S N 0.554 116.256 115.700 0.004 0.000 2.596 207 S HA 0.071 4.544 4.470 0.005 0.000 0.260 207 S C 0.685 175.247 174.600 -0.064 0.000 1.336 207 S CA -0.500 57.684 58.200 -0.026 0.000 0.993 207 S CB 0.486 63.662 63.200 -0.041 0.000 0.923 207 S HN 0.629 nan 8.310 nan 0.000 0.567 208 D N 0.418 120.782 120.400 -0.060 0.000 2.178 208 D HA -0.086 4.557 4.640 0.005 0.000 0.202 208 D C 1.740 177.959 176.300 -0.135 0.000 0.974 208 D CA 1.080 55.038 54.000 -0.070 0.000 0.841 208 D CB -0.153 40.620 40.800 -0.044 0.000 0.953 208 D HN 0.664 nan 8.370 nan 0.000 0.478 209 K N 0.993 121.291 120.400 -0.171 0.000 2.002 209 K HA -0.185 4.138 4.320 0.005 0.000 0.209 209 K C 2.148 178.323 176.600 -0.709 0.000 1.048 209 K CA 1.200 57.314 56.287 -0.289 0.000 0.930 209 K CB 0.068 32.458 32.500 -0.184 0.000 0.714 209 K HN 0.026 nan 8.250 nan 0.000 0.438 210 Q N 0.207 119.598 119.800 -0.681 0.000 2.152 210 Q HA -0.224 4.118 4.340 0.005 0.000 0.206 210 Q C 2.098 177.820 176.000 -0.463 0.000 0.985 210 Q CA 1.825 57.150 55.803 -0.797 0.000 0.863 210 Q CB -0.007 28.565 28.738 -0.276 0.000 0.904 210 Q HN 0.451 nan 8.270 nan 0.000 0.422 211 Q N -0.959 118.700 119.800 -0.235 0.000 2.291 211 Q HA -0.076 4.267 4.340 0.005 0.000 0.205 211 Q C 1.765 177.729 176.000 -0.060 0.000 0.970 211 Q CA 1.019 56.786 55.803 -0.059 0.000 0.876 211 Q CB 0.066 28.815 28.738 0.019 0.000 0.935 211 Q HN 0.434 nan 8.270 nan 0.000 0.455 212 G N -0.820 107.897 108.800 -0.138 0.000 3.042 212 G HA2 -0.034 3.929 3.960 0.005 0.000 0.212 212 G HA3 -0.034 3.929 3.960 0.005 0.000 0.212 212 G C -0.239 174.699 174.900 0.064 0.000 1.166 212 G CA -0.306 44.772 45.100 -0.036 0.000 0.767 212 G HN 0.110 nan 8.290 nan 0.000 0.546 213 Y N 1.088 121.381 120.300 -0.012 0.000 2.496 213 Y HA 0.216 4.769 4.550 0.005 0.000 0.334 213 Y C 1.693 177.574 175.900 -0.032 0.000 1.080 213 Y CA -1.419 56.664 58.100 -0.027 0.000 1.355 213 Y CB 0.534 38.970 38.460 -0.041 0.000 1.193 213 Y HN 0.059 nan 8.280 nan 0.000 0.523 214 R N 2.323 122.902 120.500 0.133 0.000 2.132 214 R HA -0.235 4.107 4.340 0.005 0.000 0.233 214 R C 1.403 177.716 176.300 0.023 0.000 1.125 214 R CA 2.547 58.680 56.100 0.055 0.000 0.914 214 R CB 0.037 30.355 30.300 0.029 0.000 0.845 214 R HN 0.849 nan 8.270 nan 0.000 0.431 215 E N 0.322 120.518 120.200 -0.006 0.000 2.110 215 E HA -0.206 4.146 4.350 0.005 0.000 0.193 215 E C 2.011 178.573 176.600 -0.064 0.000 0.988 215 E CA 1.009 57.381 56.400 -0.046 0.000 0.804 215 E CB -0.195 29.459 29.700 -0.077 0.000 0.745 215 E HN 0.217 nan 8.360 nan 0.000 0.458 216 L N 2.026 123.234 121.223 -0.024 0.000 2.013 216 L HA -0.225 4.118 4.340 0.005 0.000 0.212 216 L C 1.692 178.509 176.870 -0.089 0.000 1.073 216 L CA 1.793 56.606 54.840 -0.045 0.000 0.753 216 L CB -0.577 41.518 42.059 0.060 0.000 0.890 216 L HN 0.090 nan 8.230 nan 0.000 0.432 217 N N -0.479 118.190 118.700 -0.052 0.000 2.166 217 N HA -0.172 4.570 4.740 0.005 0.000 0.186 217 N C 1.923 177.415 175.510 -0.029 0.000 1.019 217 N CA 1.645 54.660 53.050 -0.059 0.000 0.856 217 N CB -0.210 38.278 38.487 0.001 0.000 0.993 217 N HN 0.409 nan 8.380 nan 0.000 0.426 218 L N 0.990 122.203 121.223 -0.017 0.000 2.013 218 L HA -0.198 4.145 4.340 0.005 0.000 0.212 218 L C 2.339 179.223 176.870 0.023 0.000 1.073 218 L CA 1.169 56.013 54.840 0.006 0.000 0.753 218 L CB -0.616 41.441 42.059 -0.005 0.000 0.890 218 L HN 0.149 nan 8.230 nan 0.000 0.432 219 L N -0.696 120.499 121.223 -0.048 0.000 2.027 219 L HA -0.220 4.123 4.340 0.005 0.000 0.206 219 L C 2.554 179.452 176.870 0.047 0.000 1.074 219 L CA 1.078 55.894 54.840 -0.040 0.000 0.745 219 L CB -0.529 41.347 42.059 -0.304 0.000 0.898 219 L HN 0.237 nan 8.230 nan 0.000 0.433 220 L N -0.175 121.007 121.223 -0.068 0.000 2.042 220 L HA -0.201 4.141 4.340 0.005 0.000 0.210 220 L C 2.844 179.718 176.870 0.007 0.000 1.076 220 L CA 1.720 56.490 54.840 -0.118 0.000 0.749 220 L CB -0.742 41.060 42.059 -0.429 0.000 0.893 220 L HN 0.429 nan 8.230 nan 0.000 0.432 221 S N -1.640 114.081 115.700 0.034 0.000 2.453 221 S HA -0.125 4.348 4.470 0.005 0.000 0.231 221 S C 1.449 176.104 174.600 0.092 0.000 1.005 221 S CA 0.772 59.016 58.200 0.075 0.000 0.949 221 S CB -0.261 62.982 63.200 0.070 0.000 0.774 221 S HN 0.360 nan 8.310 nan 0.000 0.510 222 D N 2.232 122.714 120.400 0.136 0.000 2.117 222 D HA 0.037 4.680 4.640 0.005 0.000 0.198 222 D C 2.021 178.400 176.300 0.131 0.000 0.982 222 D CA 0.935 55.029 54.000 0.157 0.000 0.828 222 D CB -0.399 40.587 40.800 0.310 0.000 0.967 222 D HN 0.378 nan 8.370 nan 0.000 0.464 223 L N 0.556 121.895 121.223 0.194 0.000 2.043 223 L HA -0.181 4.162 4.340 0.005 0.000 0.212 223 L C 2.597 179.519 176.870 0.085 0.000 1.075 223 L CA 0.808 55.745 54.840 0.162 0.000 0.752 223 L CB -0.614 41.561 42.059 0.193 0.000 0.891 223 L HN -0.051 nan 8.230 nan 0.000 0.432 224 V N -0.132 119.829 119.914 0.078 0.000 2.270 224 V HA -0.297 3.826 4.120 0.005 0.000 0.245 224 V C 2.502 178.621 176.094 0.041 0.000 1.043 224 V CA 2.053 64.389 62.300 0.060 0.000 1.014 224 V CB -0.501 31.368 31.823 0.077 0.000 0.645 224 V HN 0.493 nan 8.190 nan 0.000 0.447 225 E N 0.347 120.572 120.200 0.041 0.000 2.097 225 E HA -0.252 4.101 4.350 0.005 0.000 0.196 225 E C 2.005 178.608 176.600 0.005 0.000 1.000 225 E CA 1.467 57.881 56.400 0.023 0.000 0.804 225 E CB -0.242 29.473 29.700 0.024 0.000 0.740 225 E HN 0.580 nan 8.360 nan 0.000 0.454 226 A N 0.501 123.319 122.820 -0.004 0.000 2.239 226 A HA -0.059 4.264 4.320 0.005 0.000 0.209 226 A C 0.670 178.237 177.584 -0.028 0.000 1.171 226 A CA 0.839 52.854 52.037 -0.036 0.000 0.768 226 A CB -0.278 18.671 19.000 -0.084 0.000 0.790 226 A HN 0.329 nan 8.150 nan 0.000 0.478 227 K N -1.608 118.791 120.400 -0.002 0.000 3.088 227 K HA -0.220 4.103 4.320 0.005 0.000 0.273 227 K C 0.574 177.181 176.600 0.011 0.000 1.111 227 K CA 1.179 57.470 56.287 0.006 0.000 0.803 227 K CB -2.111 30.389 32.500 -0.000 0.000 1.226 227 K HN 0.870 nan 8.250 nan 0.000 0.485 228 I N -4.067 116.515 120.570 0.021 0.000 3.956 228 I HA 0.385 4.558 4.170 0.005 0.000 0.333 228 I C 0.491 176.685 176.117 0.128 0.000 1.302 228 I CA -0.248 61.085 61.300 0.054 0.000 1.122 228 I CB 0.804 38.810 38.000 0.011 0.000 1.013 228 I HN 0.128 nan 8.210 nan 0.000 0.405 229 A N 0.895 123.761 122.820 0.077 0.000 2.606 229 A HA 0.761 5.084 4.320 0.005 0.000 0.293 229 A C -0.529 177.059 177.584 0.006 0.000 1.082 229 A CA -0.181 51.862 52.037 0.010 0.000 0.685 229 A CB 1.279 20.207 19.000 -0.119 0.000 1.284 229 A HN 0.290 nan 8.150 nan 0.000 0.408 230 S N -0.109 115.583 115.700 -0.014 0.000 2.578 230 S HA 0.766 5.238 4.470 0.005 0.000 0.301 230 S C -1.097 173.539 174.600 0.061 0.000 1.091 230 S CA -0.519 57.692 58.200 0.018 0.000 1.032 230 S CB 1.493 64.694 63.200 0.001 0.000 1.064 230 S HN 1.573 nan 8.310 nan 0.000 0.508 231 Y N 0.946 121.207 120.300 -0.067 0.000 2.322 231 Y HA 0.546 5.099 4.550 0.005 0.000 0.324 231 Y C -1.354 174.519 175.900 -0.045 0.000 1.027 231 Y CA -0.764 57.295 58.100 -0.069 0.000 1.179 231 Y CB 1.238 39.660 38.460 -0.062 0.000 1.136 231 Y HN 0.841 nan 8.280 nan 0.000 0.449 232 E N 5.175 125.069 120.200 -0.509 0.000 2.311 232 E HA 0.241 4.594 4.350 0.005 0.000 0.281 232 E C -0.824 175.546 176.600 -0.383 0.000 0.905 232 E CA -0.586 55.578 56.400 -0.394 0.000 0.778 232 E CB 1.479 31.070 29.700 -0.182 0.000 1.240 232 E HN 0.774 nan 8.360 nan 0.000 0.410 233 N N 1.482 119.964 118.700 -0.364 0.000 2.735 233 N HA -0.225 4.518 4.740 0.005 0.000 0.248 233 N C 0.798 176.180 175.510 -0.213 0.000 1.083 233 N CA 1.428 54.339 53.050 -0.231 0.000 0.703 233 N CB -1.192 37.212 38.487 -0.138 0.000 1.005 233 N HN 1.012 nan 8.380 nan 0.000 0.550 234 G N -1.136 107.463 108.800 -0.334 0.000 2.168 234 G HA2 -0.331 3.632 3.960 0.005 0.000 0.263 234 G HA3 -0.331 3.632 3.960 0.005 0.000 0.263 234 G C 0.117 175.054 174.900 0.063 0.000 0.977 234 G CA 0.647 45.707 45.100 -0.067 0.000 0.659 234 G HN 0.548 nan 8.290 nan 0.000 0.533 235 I N 0.495 121.030 120.570 -0.058 0.000 2.321 235 I HA 0.535 4.708 4.170 0.005 0.000 0.291 235 I C 0.112 176.304 176.117 0.125 0.000 0.998 235 I CA -1.056 60.264 61.300 0.033 0.000 1.227 235 I CB 1.615 39.603 38.000 -0.020 0.000 1.368 235 I HN 0.081 nan 8.210 nan 0.000 0.466 236 L N 6.955 128.262 121.223 0.141 0.000 2.272 236 L HA 0.547 4.890 4.340 0.005 0.000 0.289 236 L C -0.420 176.346 176.870 -0.173 0.000 1.032 236 L CA 0.517 55.367 54.840 0.015 0.000 0.810 236 L CB 1.233 43.215 42.059 -0.127 0.000 1.205 236 L HN 0.547 nan 8.230 nan 0.000 0.422 237 T N 5.537 119.971 114.554 -0.200 0.000 2.815 237 T HA 0.488 4.841 4.350 0.005 0.000 0.289 237 T C -0.404 174.159 174.700 -0.228 0.000 1.000 237 T CA -0.126 61.879 62.100 -0.158 0.000 0.958 237 T CB 0.244 69.089 68.868 -0.038 0.000 0.944 237 T HN 0.242 nan 8.240 nan 0.000 0.442 238 F N 2.503 122.491 119.950 0.063 0.000 2.429 238 F HA 0.281 4.811 4.527 0.005 0.000 0.348 238 F C 2.013 177.839 175.800 0.044 0.000 1.109 238 F CA -1.229 56.807 58.000 0.061 0.000 1.232 238 F CB 0.206 39.247 39.000 0.068 0.000 1.157 238 F HN 0.592 nan 8.300 nan 0.000 0.564 239 I N -0.385 120.313 120.570 0.213 0.000 2.493 239 I HA -0.072 4.101 4.170 0.005 0.000 0.254 239 I C 0.117 176.304 176.117 0.116 0.000 1.160 239 I CA 0.794 62.168 61.300 0.123 0.000 1.445 239 I CB -0.440 37.609 38.000 0.081 0.000 1.086 239 I HN 0.713 nan 8.210 nan 0.000 0.433 240 N N -1.153 117.632 118.700 0.142 0.000 3.261 240 N HA 0.129 4.871 4.740 0.005 0.000 0.248 240 N C 0.000 175.549 175.510 0.065 0.000 1.498 240 N CA -0.675 52.429 53.050 0.090 0.000 0.884 240 N CB 0.465 38.984 38.487 0.054 0.000 1.428 240 N HN -0.122 nan 8.380 nan 0.000 0.517 241 E N 0.043 120.262 120.200 0.031 0.000 2.110 241 E HA -0.223 4.130 4.350 0.005 0.000 0.193 241 E C 0.893 177.481 176.600 -0.019 0.000 0.988 241 E CA 1.255 57.652 56.400 -0.005 0.000 0.804 241 E CB -0.011 29.690 29.700 0.002 0.000 0.745 241 E HN 0.802 nan 8.360 nan 0.000 0.458 242 E N 0.793 120.998 120.200 0.009 0.000 2.106 242 E HA -0.145 4.208 4.350 0.005 0.000 0.192 242 E C 1.965 178.591 176.600 0.044 0.000 0.984 242 E CA 0.926 57.343 56.400 0.027 0.000 0.806 242 E CB 0.036 29.752 29.700 0.027 0.000 0.750 242 E HN 0.152 nan 8.360 nan 0.000 0.458 243 A N 1.820 124.656 122.820 0.027 0.000 1.897 243 A HA -0.142 4.181 4.320 0.005 0.000 0.215 243 A C 2.256 179.764 177.584 -0.126 0.000 1.181 243 A CA 1.236 53.310 52.037 0.063 0.000 0.620 243 A CB -0.523 18.578 19.000 0.169 0.000 0.821 243 A HN 0.199 nan 8.150 nan 0.000 0.443 244 R N -0.248 120.011 120.500 -0.402 0.000 2.073 244 R HA -0.120 4.223 4.340 0.005 0.000 0.234 244 R C 2.301 178.353 176.300 -0.413 0.000 1.134 244 R CA 1.628 57.175 56.100 -0.922 0.000 0.952 244 R CB -0.314 29.620 30.300 -0.610 0.000 0.850 244 R HN 0.496 nan 8.270 nan 0.000 0.433 245 R N -0.665 119.745 120.500 -0.150 0.000 2.120 245 R HA -0.159 4.184 4.340 0.005 0.000 0.234 245 R C 2.180 178.513 176.300 0.055 0.000 1.123 245 R CA 1.662 57.736 56.100 -0.043 0.000 0.975 245 R CB -0.378 29.923 30.300 0.003 0.000 0.866 245 R HN 0.245 nan 8.270 nan 0.000 0.446 246 F N 0.935 120.873 119.950 -0.020 0.000 2.102 246 F HA -0.142 4.387 4.527 0.005 0.000 0.298 246 F C 2.173 178.121 175.800 0.246 0.000 1.105 246 F CA 1.593 59.664 58.000 0.118 0.000 1.239 246 F CB -0.272 38.792 39.000 0.106 0.000 0.991 246 F HN -0.041 nan 8.300 nan 0.000 0.474 247 A N -0.230 122.759 122.820 0.281 0.000 2.066 247 A HA -0.144 4.179 4.320 0.005 0.000 0.218 247 A C 1.899 179.534 177.584 0.086 0.000 1.157 247 A CA 1.392 53.573 52.037 0.240 0.000 0.670 247 A CB -0.907 18.278 19.000 0.308 0.000 0.804 247 A HN 0.484 nan 8.150 nan 0.000 0.453 248 N N -0.753 117.947 118.700 0.001 0.000 2.453 248 N HA 0.014 4.757 4.740 0.005 0.000 0.183 248 N C 1.161 176.676 175.510 0.008 0.000 1.041 248 N CA 1.522 54.563 53.050 -0.014 0.000 0.900 248 N CB 0.135 38.585 38.487 -0.061 0.000 0.961 248 N HN 0.577 nan 8.380 nan 0.000 0.443 249 G N -0.714 108.108 108.800 0.038 0.000 2.672 249 G HA2 -0.133 3.830 3.960 0.005 0.000 0.197 249 G HA3 -0.133 3.830 3.960 0.005 0.000 0.197 249 G C 0.598 175.321 174.900 -0.296 0.000 0.995 249 G CA 0.014 45.072 45.100 -0.070 0.000 0.754 249 G HN 0.358 nan 8.290 nan 0.000 0.505 250 E N 0.758 120.861 120.200 -0.162 0.000 2.472 250 E HA -0.061 4.291 4.350 0.005 0.000 0.200 250 E C 2.143 178.616 176.600 -0.211 0.000 1.046 250 E CA 0.730 57.032 56.400 -0.163 0.000 0.871 250 E CB -0.206 29.480 29.700 -0.023 0.000 0.806 250 E HN 0.866 nan 8.360 nan 0.000 0.533 251 W N 0.815 121.830 121.300 -0.474 0.000 2.325 251 W HA -0.206 4.457 4.660 0.005 0.000 0.299 251 W C 1.552 177.927 176.519 -0.240 0.000 1.215 251 W CA 0.387 57.275 57.345 -0.762 0.000 1.244 251 W CB -0.773 27.872 29.460 -1.358 0.000 1.140 251 W HN 0.109 nan 8.180 nan 0.000 0.523 252 L N 2.454 122.993 121.223 -1.140 0.000 2.131 252 L HA -0.097 4.245 4.340 0.005 0.000 0.206 252 L C 2.810 179.448 176.870 -0.387 0.000 1.087 252 L CA 2.633 56.841 54.840 -1.053 0.000 0.767 252 L CB -0.875 40.335 42.059 -1.416 0.000 0.917 252 L HN 0.181 nan 8.230 nan 0.000 0.441 253 E N -2.116 117.906 120.200 -0.297 0.000 2.107 253 E HA -0.149 4.204 4.350 0.005 0.000 0.191 253 E C 1.709 178.328 176.600 0.032 0.000 0.982 253 E CA 1.442 57.778 56.400 -0.106 0.000 0.809 253 E CB -0.784 28.852 29.700 -0.106 0.000 0.756 253 E HN 0.371 nan 8.360 nan 0.000 0.459 254 T N 1.894 116.485 114.554 0.062 0.000 2.684 254 T HA -0.156 4.197 4.350 0.005 0.000 0.267 254 T C 1.807 176.664 174.700 0.262 0.000 1.036 254 T CA 1.382 63.602 62.100 0.200 0.000 1.148 254 T CB -0.308 68.740 68.868 0.299 0.000 0.863 254 T HN 0.116 nan 8.240 nan 0.000 0.436 255 L N 1.334 122.694 121.223 0.228 0.000 2.017 255 L HA -0.050 4.293 4.340 0.005 0.000 0.208 255 L C 2.416 179.415 176.870 0.216 0.000 1.073 255 L CA 1.568 56.555 54.840 0.245 0.000 0.745 255 L CB -0.724 41.461 42.059 0.210 0.000 0.894 255 L HN 0.076 nan 8.230 nan 0.000 0.432 256 V N -0.571 119.430 119.914 0.145 0.000 2.343 256 V HA -0.322 3.800 4.120 0.005 0.000 0.247 256 V C 2.550 178.770 176.094 0.209 0.000 1.051 256 V CA 2.003 64.392 62.300 0.148 0.000 1.036 256 V CB -1.006 30.869 31.823 0.087 0.000 0.654 256 V HN 0.701 nan 8.190 nan 0.000 0.451 257 H N 0.500 119.641 119.070 0.120 0.000 2.319 257 H HA -0.142 4.416 4.556 0.004 0.000 0.299 257 H C 2.436 177.839 175.328 0.125 0.000 1.092 257 H CA 2.093 58.214 56.048 0.121 0.000 1.302 257 H CB -0.181 29.640 29.762 0.099 0.000 1.373 257 H HN 0.342 nan 8.280 nan 0.000 0.497 258 S N -0.881 114.893 115.700 0.122 0.000 2.382 258 S HA -0.155 4.318 4.470 0.005 0.000 0.228 258 S C 2.079 176.704 174.600 0.041 0.000 1.027 258 S CA 1.532 59.764 58.200 0.054 0.000 0.991 258 S CB -0.286 63.066 63.200 0.252 0.000 0.823 258 S HN 0.602 nan 8.310 nan 0.000 0.469 259 T N 1.820 116.471 114.554 0.161 0.000 2.777 259 T HA -0.026 4.327 4.350 0.005 0.000 0.266 259 T C 1.935 176.709 174.700 0.123 0.000 1.040 259 T CA 1.022 63.222 62.100 0.168 0.000 1.141 259 T CB -0.370 68.625 68.868 0.211 0.000 0.868 259 T HN 0.185 nan 8.240 nan 0.000 0.444 260 V N 1.848 121.840 119.914 0.130 0.000 2.332 260 V HA -0.203 3.920 4.120 0.005 0.000 0.248 260 V C 2.531 178.611 176.094 -0.023 0.000 1.055 260 V CA 1.732 64.117 62.300 0.141 0.000 1.038 260 V CB -0.553 31.371 31.823 0.168 0.000 0.651 260 V HN 0.467 nan 8.190 nan 0.000 0.450 261 K N -0.327 119.998 120.400 -0.125 0.000 2.057 261 K HA -0.241 4.082 4.320 0.005 0.000 0.207 261 K C 2.241 178.781 176.600 -0.101 0.000 1.049 261 K CA 1.740 57.930 56.287 -0.160 0.000 0.931 261 K CB -0.149 32.208 32.500 -0.237 0.000 0.714 261 K HN 0.526 nan 8.250 nan 0.000 0.440 262 Q N 0.345 120.100 119.800 -0.075 0.000 2.061 262 Q HA -0.165 4.178 4.340 0.005 0.000 0.204 262 Q C 2.202 178.194 176.000 -0.014 0.000 0.984 262 Q CA 1.864 57.637 55.803 -0.049 0.000 0.846 262 Q CB -0.147 28.574 28.738 -0.029 0.000 0.902 262 Q HN 0.407 nan 8.270 nan 0.000 0.421 263 I N 0.508 121.094 120.570 0.025 0.000 2.286 263 I HA -0.294 3.879 4.170 0.005 0.000 0.248 263 I C 2.619 178.728 176.117 -0.014 0.000 1.115 263 I CA 1.087 62.416 61.300 0.049 0.000 1.392 263 I CB -0.260 37.834 38.000 0.157 0.000 1.065 263 I HN 0.302 nan 8.210 nan 0.000 0.418 264 Q N 0.816 120.578 119.800 -0.063 0.000 2.224 264 Q HA -0.228 4.115 4.340 0.005 0.000 0.203 264 Q C 1.479 177.432 176.000 -0.078 0.000 0.970 264 Q CA 1.375 57.113 55.803 -0.108 0.000 0.865 264 Q CB 0.063 28.717 28.738 -0.140 0.000 0.922 264 Q HN 0.449 nan 8.270 nan 0.000 0.445 265 D N 0.921 121.284 120.400 -0.061 0.000 2.190 265 D HA -0.155 4.488 4.640 0.005 0.000 0.200 265 D C 0.643 176.919 176.300 -0.040 0.000 0.992 265 D CA 1.189 55.159 54.000 -0.050 0.000 0.854 265 D CB 0.020 40.793 40.800 -0.045 0.000 0.936 265 D HN 0.362 nan 8.370 nan 0.000 0.462 266 D N -1.078 119.303 120.400 -0.032 0.000 2.469 266 D HA 0.135 4.778 4.640 0.005 0.000 0.213 266 D C 0.326 176.609 176.300 -0.028 0.000 1.135 266 D CA -0.019 53.966 54.000 -0.024 0.000 0.834 266 D CB 0.881 41.675 40.800 -0.010 0.000 1.009 266 D HN 0.164 nan 8.370 nan 0.000 0.507 267 M N 1.848 121.421 119.600 -0.045 0.000 2.066 267 M HA 0.179 4.662 4.480 0.005 0.000 0.264 267 M C -2.043 174.202 176.300 -0.092 0.000 0.886 267 M CA -1.680 53.585 55.300 -0.058 0.000 0.810 267 M CB 2.607 35.170 32.600 -0.062 0.000 1.451 267 M HN -0.303 nan 8.290 nan 0.000 0.373 268 P HA -0.120 nan 4.420 nan 0.000 0.226 268 P C 1.124 178.360 177.300 -0.108 0.000 1.146 268 P CA 1.342 64.390 63.100 -0.088 0.000 0.773 268 P CB -0.496 31.163 31.700 -0.069 0.000 0.772 269 T N -2.621 111.865 114.554 -0.114 0.000 2.977 269 T HA -0.036 4.317 4.350 0.005 0.000 0.271 269 T C 1.037 175.616 174.700 -0.201 0.000 1.105 269 T CA 0.369 62.389 62.100 -0.133 0.000 1.116 269 T CB -0.901 67.896 68.868 -0.118 0.000 0.878 269 T HN 0.080 nan 8.240 nan 0.000 0.509 270 I N 3.003 123.420 120.570 -0.255 0.000 2.294 270 I HA 0.159 4.332 4.170 0.005 0.000 0.295 270 I C 1.571 177.556 176.117 -0.220 0.000 1.098 270 I CA -0.413 60.678 61.300 -0.348 0.000 1.277 270 I CB 0.891 38.604 38.000 -0.479 0.000 1.434 270 I HN 0.343 nan 8.210 nan 0.000 0.498 271 Q N 3.252 122.948 119.800 -0.173 0.000 2.317 271 Q HA 0.228 4.571 4.340 0.005 0.000 0.220 271 Q C -0.429 175.520 176.000 -0.084 0.000 0.873 271 Q CA 0.103 55.840 55.803 -0.109 0.000 0.936 271 Q CB 1.015 29.706 28.738 -0.079 0.000 1.105 271 Q HN 0.563 nan 8.270 nan 0.000 0.520 272 D N 0.206 120.550 120.400 -0.092 0.000 2.654 272 D HA 0.364 5.007 4.640 0.005 0.000 0.231 272 D C -1.535 174.743 176.300 -0.036 0.000 1.239 272 D CA -0.548 53.420 54.000 -0.053 0.000 0.790 272 D CB 1.589 42.374 40.800 -0.025 0.000 1.480 272 D HN 0.299 nan 8.370 nan 0.000 0.442 273 R N 0.281 120.794 120.500 0.022 0.000 2.663 273 R HA 0.848 5.190 4.340 0.005 0.000 0.267 273 R C -1.573 174.855 176.300 0.214 0.000 1.038 273 R CA -0.954 55.210 56.100 0.107 0.000 0.886 273 R CB 1.615 31.958 30.300 0.072 0.000 1.249 273 R HN 0.224 nan 8.270 nan 0.000 0.463 274 S N 0.735 116.600 115.700 0.275 0.000 2.565 274 S HA 0.562 5.034 4.470 0.005 0.000 0.269 274 S C -2.105 172.513 174.600 0.030 0.000 1.153 274 S CA -0.801 57.528 58.200 0.215 0.000 0.835 274 S CB 1.759 65.153 63.200 0.323 0.000 1.122 274 S HN 0.516 nan 8.310 nan 0.000 0.462 275 L N 3.784 124.879 121.223 -0.214 0.000 2.305 275 L HA 0.627 4.970 4.340 0.005 0.000 0.284 275 L C -0.193 176.607 176.870 -0.117 0.000 1.013 275 L CA 0.263 54.928 54.840 -0.292 0.000 0.819 275 L CB 0.643 42.358 42.059 -0.572 0.000 1.227 275 L HN 0.794 nan 8.230 nan 0.000 0.417 276 N N 2.909 121.559 118.700 -0.083 0.000 2.727 276 N HA -0.153 4.589 4.740 0.005 0.000 0.251 276 N C -0.647 174.801 175.510 -0.103 0.000 1.040 276 N CA 0.808 53.810 53.050 -0.081 0.000 0.712 276 N CB -1.007 37.435 38.487 -0.074 0.000 0.912 276 N HN 0.363 nan 8.380 nan 0.000 0.545 277 V N 1.374 121.216 119.914 -0.121 0.000 2.485 277 V HA -0.051 4.071 4.120 0.005 0.000 0.287 277 V C 0.979 176.914 176.094 -0.264 0.000 1.022 277 V CA 0.126 62.270 62.300 -0.259 0.000 1.067 277 V CB 1.038 32.700 31.823 -0.269 0.000 0.967 277 V HN 0.147 nan 8.190 nan 0.000 0.479 278 Q N 4.016 123.641 119.800 -0.291 0.000 2.288 278 Q HA 0.449 4.792 4.340 0.005 0.000 0.258 278 Q C -0.575 175.190 176.000 -0.391 0.000 0.957 278 Q CA -0.225 55.389 55.803 -0.316 0.000 0.919 278 Q CB 1.711 30.331 28.738 -0.198 0.000 1.185 278 Q HN 0.564 nan 8.270 nan 0.000 0.408 279 V N 3.936 123.562 119.914 -0.481 0.000 2.487 279 V HA 0.411 4.534 4.120 0.005 0.000 0.298 279 V C -1.042 174.779 176.094 -0.454 0.000 1.028 279 V CA -0.849 61.261 62.300 -0.317 0.000 0.860 279 V CB 0.926 32.641 31.823 -0.181 0.000 0.991 279 V HN 0.595 nan 8.190 nan 0.000 0.427 280 Y N 3.398 123.674 120.300 -0.040 0.000 2.393 280 Y HA 0.748 5.300 4.550 0.005 0.000 0.341 280 Y C 0.389 176.286 175.900 -0.005 0.000 0.988 280 Y CA -0.818 57.269 58.100 -0.022 0.000 1.078 280 Y CB 2.073 40.519 38.460 -0.023 0.000 1.203 280 Y HN 0.461 nan 8.280 nan 0.000 0.453 281 R N 1.984 122.563 120.500 0.132 0.000 2.532 281 R HA 0.348 4.691 4.340 0.005 0.000 0.297 281 R C -1.101 175.246 176.300 0.078 0.000 0.984 281 R CA -1.106 55.047 56.100 0.089 0.000 0.884 281 R CB 1.862 32.196 30.300 0.056 0.000 1.182 281 R HN 0.506 nan 8.270 nan 0.000 0.442 282 Q N 2.628 122.465 119.800 0.061 0.000 2.261 282 Q HA 0.315 4.657 4.340 0.005 0.000 0.252 282 Q C -0.893 175.126 176.000 0.031 0.000 0.915 282 Q CA -0.451 55.377 55.803 0.043 0.000 0.915 282 Q CB 1.488 30.242 28.738 0.027 0.000 1.204 282 Q HN 0.298 nan 8.270 nan 0.000 0.421 283 L N 2.156 123.396 121.223 0.027 0.000 2.401 283 L HA 0.426 4.768 4.340 0.005 0.000 0.263 283 L C 0.929 177.809 176.870 0.016 0.000 1.004 283 L CA 0.003 54.855 54.840 0.020 0.000 0.881 283 L CB 0.974 43.044 42.059 0.019 0.000 1.219 283 L HN 0.843 nan 8.230 nan 0.000 0.441 284 G N 2.169 110.977 108.800 0.013 0.000 2.611 284 G HA2 -0.343 3.620 3.960 0.005 0.000 0.301 284 G HA3 -0.343 3.620 3.960 0.005 0.000 0.301 284 G C 0.792 175.698 174.900 0.010 0.000 1.233 284 G CA 0.598 45.704 45.100 0.010 0.000 0.993 284 G HN 0.593 nan 8.290 nan 0.000 0.553 285 E N 1.115 121.320 120.200 0.009 0.000 2.511 285 E HA 0.119 4.471 4.350 0.005 0.000 0.196 285 E C 1.524 178.132 176.600 0.012 0.000 1.066 285 E CA 0.343 56.748 56.400 0.009 0.000 0.871 285 E CB 0.116 29.820 29.700 0.007 0.000 0.863 285 E HN 0.376 nan 8.360 nan 0.000 0.520 286 R N 0.484 120.994 120.500 0.016 0.000 2.691 286 R HA 0.451 4.794 4.340 0.005 0.000 0.259 286 R C -0.306 176.011 176.300 0.030 0.000 1.048 286 R CA -0.432 55.680 56.100 0.020 0.000 1.086 286 R CB 1.208 31.518 30.300 0.017 0.000 1.166 286 R HN -0.085 nan 8.270 nan 0.000 0.526 287 E N 0.355 120.577 120.200 0.037 0.000 2.308 287 E HA 0.308 4.661 4.350 0.005 0.000 0.275 287 E C -1.846 174.782 176.600 0.046 0.000 0.890 287 E CA -0.772 55.662 56.400 0.057 0.000 0.754 287 E CB 2.316 32.069 29.700 0.087 0.000 1.207 287 E HN 0.310 nan 8.360 nan 0.000 0.426 288 V N 3.849 123.788 119.914 0.042 0.000 2.384 288 V HA 0.698 4.820 4.120 0.005 0.000 0.287 288 V C -1.046 175.036 176.094 -0.019 0.000 1.020 288 V CA -0.623 61.684 62.300 0.012 0.000 0.850 288 V CB 1.468 33.291 31.823 0.000 0.000 0.987 288 V HN 0.614 nan 8.190 nan 0.000 0.436 289 R N 5.390 125.851 120.500 -0.065 0.000 2.460 289 R HA 0.585 4.928 4.340 0.005 0.000 0.303 289 R C -1.006 175.180 176.300 -0.189 0.000 0.968 289 R CA -0.304 55.672 56.100 -0.207 0.000 0.889 289 R CB 1.383 31.564 30.300 -0.198 0.000 1.123 289 R HN 0.959 nan 8.270 nan 0.000 0.455 290 N N 1.561 120.113 118.700 -0.247 0.000 2.405 290 N HA 0.259 5.002 4.740 0.005 0.000 0.285 290 N C -1.421 173.962 175.510 -0.211 0.000 1.262 290 N CA -0.608 52.336 53.050 -0.176 0.000 0.773 290 N CB 2.466 40.877 38.487 -0.126 0.000 1.490 290 N HN 0.535 nan 8.380 nan 0.000 0.486 291 E N 1.206 121.315 120.200 -0.152 0.000 2.234 291 E HA 0.381 4.734 4.350 0.005 0.000 0.266 291 E C -1.256 175.280 176.600 -0.107 0.000 0.877 291 E CA -0.519 55.793 56.400 -0.146 0.000 0.758 291 E CB 1.157 30.783 29.700 -0.124 0.000 1.170 291 E HN 0.385 nan 8.360 nan 0.000 0.415 292 L N 5.104 126.267 121.223 -0.100 0.000 2.262 292 L HA 0.260 4.603 4.340 0.005 0.000 0.288 292 L C 0.532 177.377 176.870 -0.041 0.000 1.035 292 L CA -0.853 53.955 54.840 -0.055 0.000 0.820 292 L CB 0.918 42.959 42.059 -0.030 0.000 1.204 292 L HN 0.639 nan 8.230 nan 0.000 0.424 293 D N 2.101 122.479 120.400 -0.036 0.000 2.087 293 D HA -0.083 4.559 4.640 0.005 0.000 0.192 293 D C 0.517 176.816 176.300 -0.002 0.000 0.993 293 D CA 1.543 55.520 54.000 -0.038 0.000 0.828 293 D CB 0.269 41.036 40.800 -0.055 0.000 0.968 293 D HN 0.215 nan 8.370 nan 0.000 0.448 294 V N 0.084 120.028 119.914 0.050 0.000 2.525 294 V HA 0.661 4.784 4.120 0.005 0.000 0.299 294 V C -0.437 175.753 176.094 0.161 0.000 1.034 294 V CA -1.031 61.346 62.300 0.128 0.000 0.863 294 V CB 1.779 33.719 31.823 0.195 0.000 0.999 294 V HN 0.184 nan 8.190 nan 0.000 0.423 295 A N 3.431 126.352 122.820 0.168 0.000 2.342 295 A HA 0.981 5.303 4.320 0.005 0.000 0.323 295 A C 0.040 177.732 177.584 0.180 0.000 1.125 295 A CA -0.328 51.812 52.037 0.170 0.000 0.785 295 A CB 1.595 20.681 19.000 0.142 0.000 1.221 295 A HN 1.004 nan 8.150 nan 0.000 0.463 296 T N -1.494 113.158 114.554 0.162 0.000 2.901 296 T HA 0.725 5.078 4.350 0.005 0.000 0.293 296 T C -0.832 173.866 174.700 -0.003 0.000 1.084 296 T CA -0.693 61.440 62.100 0.054 0.000 1.008 296 T CB 1.321 70.159 68.868 -0.050 0.000 1.170 296 T HN 0.691 nan 8.240 nan 0.000 0.509 297 V N 1.341 121.213 119.914 -0.069 0.000 2.555 297 V HA 0.735 4.857 4.120 0.005 0.000 0.302 297 V C -0.671 175.317 176.094 -0.178 0.000 1.038 297 V CA -0.684 61.567 62.300 -0.082 0.000 0.887 297 V CB 1.626 33.452 31.823 0.004 0.000 0.991 297 V HN 0.917 nan 8.190 nan 0.000 0.434 298 V N 3.535 123.325 119.914 -0.207 0.000 2.623 298 V HA 0.484 4.607 4.120 0.005 0.000 0.304 298 V C 0.297 176.308 176.094 -0.140 0.000 1.054 298 V CA -0.876 61.234 62.300 -0.316 0.000 0.882 298 V CB 1.530 32.938 31.823 -0.693 0.000 1.002 298 V HN 0.942 nan 8.190 nan 0.000 0.424 299 N N 4.434 123.075 118.700 -0.099 0.000 2.716 299 N HA -0.234 4.509 4.740 0.005 0.000 0.250 299 N C 0.719 176.247 175.510 0.029 0.000 1.033 299 N CA 1.177 54.208 53.050 -0.033 0.000 0.727 299 N CB -0.908 37.563 38.487 -0.027 0.000 0.950 299 N HN 0.893 nan 8.380 nan 0.000 0.541 300 N N -2.577 116.156 118.700 0.055 0.000 2.778 300 N HA -0.236 4.506 4.740 0.005 0.000 0.249 300 N C -1.067 174.598 175.510 0.258 0.000 1.069 300 N CA 1.601 54.747 53.050 0.161 0.000 0.831 300 N CB -0.843 37.719 38.487 0.126 0.000 1.142 300 N HN 0.699 nan 8.380 nan 0.000 0.573 301 K N 0.581 121.066 120.400 0.143 0.000 2.244 301 K HA 0.410 4.732 4.320 0.005 0.000 0.260 301 K C -0.022 176.547 176.600 -0.052 0.000 0.951 301 K CA -0.884 55.454 56.287 0.086 0.000 0.826 301 K CB 1.988 34.547 32.500 0.099 0.000 1.108 301 K HN -0.037 nan 8.250 nan 0.000 0.433 302 L N 3.564 124.525 121.223 -0.437 0.000 2.462 302 L HA 0.081 4.424 4.340 0.005 0.000 0.272 302 L C -0.939 175.834 176.870 -0.162 0.000 1.166 302 L CA 0.504 55.071 54.840 -0.455 0.000 0.880 302 L CB -0.200 41.428 42.059 -0.719 0.000 1.142 302 L HN 0.502 nan 8.230 nan 0.000 0.473 303 H N 5.349 124.336 119.070 -0.138 0.000 2.587 303 H HA 0.552 5.110 4.556 0.004 0.000 0.325 303 H C -0.671 174.772 175.328 0.191 0.000 1.012 303 H CA -0.330 55.726 56.048 0.012 0.000 1.213 303 H CB 1.067 30.788 29.762 -0.068 0.000 1.431 303 H HN 0.531 nan 8.280 nan 0.000 0.492 304 I N 4.590 125.347 120.570 0.312 0.000 2.441 304 I HA 0.349 4.522 4.170 0.005 0.000 0.295 304 I C -0.312 175.949 176.117 0.241 0.000 0.994 304 I CA -0.524 60.912 61.300 0.228 0.000 1.144 304 I CB 1.589 39.640 38.000 0.085 0.000 1.314 304 I HN 0.404 nan 8.210 nan 0.000 0.445 305 I N 5.279 125.947 120.570 0.162 0.000 2.418 305 I HA 0.304 4.476 4.170 0.005 0.000 0.287 305 I C -0.205 175.904 176.117 -0.014 0.000 1.008 305 I CA -0.486 60.835 61.300 0.036 0.000 1.104 305 I CB 1.763 39.802 38.000 0.066 0.000 1.264 305 I HN 0.597 nan 8.210 nan 0.000 0.438 306 E N 5.476 125.636 120.200 -0.068 0.000 2.174 306 E HA 0.387 4.739 4.350 0.005 0.000 0.282 306 E C -1.336 175.200 176.600 -0.105 0.000 0.992 306 E CA -0.583 55.769 56.400 -0.079 0.000 0.803 306 E CB 1.125 30.774 29.700 -0.085 0.000 1.090 306 E HN 0.624 nan 8.360 nan 0.000 0.396 307 C N 5.053 124.287 119.300 -0.110 0.000 2.273 307 C HA 0.430 4.893 4.460 0.005 0.000 0.328 307 C C -0.144 174.760 174.990 -0.143 0.000 1.275 307 C CA -0.800 58.131 59.018 -0.145 0.000 1.704 307 C CB -0.072 27.558 27.740 -0.184 0.000 2.326 307 C HN 0.651 nan 8.230 nan 0.000 0.517 308 K N 1.487 121.812 120.400 -0.125 0.000 2.244 308 K HA 0.436 4.758 4.320 0.005 0.000 0.260 308 K C 0.820 177.376 176.600 -0.073 0.000 0.951 308 K CA -0.140 56.090 56.287 -0.095 0.000 0.826 308 K CB 1.667 34.128 32.500 -0.065 0.000 1.108 308 K HN 0.813 nan 8.250 nan 0.000 0.433 309 T N -1.292 113.215 114.554 -0.078 0.000 3.022 309 T HA 0.180 4.533 4.350 0.005 0.000 0.250 309 T C 0.597 175.373 174.700 0.126 0.000 1.060 309 T CA 0.047 62.150 62.100 0.005 0.000 1.013 309 T CB 0.271 69.048 68.868 -0.152 0.000 0.982 309 T HN 0.101 nan 8.240 nan 0.000 0.508 310 K N 1.369 121.800 120.400 0.053 0.000 2.211 310 K HA 0.732 5.055 4.320 0.005 0.000 0.237 310 K C 0.526 177.143 176.600 0.028 0.000 1.002 310 K CA -0.891 55.428 56.287 0.053 0.000 0.885 310 K CB 1.106 33.620 32.500 0.023 0.000 1.136 310 K HN 0.232 nan 8.250 nan 0.000 0.448 311 G N 0.385 109.194 108.800 0.015 0.000 2.507 311 G HA2 0.350 4.313 3.960 0.005 0.000 0.271 311 G HA3 0.350 4.313 3.960 0.005 0.000 0.271 311 G C -0.454 174.435 174.900 -0.019 0.000 1.189 311 G CA -0.551 44.544 45.100 -0.009 0.000 0.859 311 G HN 0.413 nan 8.290 nan 0.000 0.542 312 M N 1.226 120.807 119.600 -0.031 0.000 2.162 312 M HA 0.227 4.710 4.480 0.005 0.000 0.356 312 M C 1.056 177.342 176.300 -0.024 0.000 1.303 312 M CA -0.107 55.174 55.300 -0.033 0.000 1.116 312 M CB 0.825 33.396 32.600 -0.049 0.000 1.632 312 M HN 0.527 nan 8.290 nan 0.000 0.469 316 G N 1.196 110.015 108.800 0.031 0.000 2.366 316 G HA2 -0.195 3.768 3.960 0.005 0.000 0.299 316 G HA3 -0.195 3.768 3.960 0.005 0.000 0.299 316 G C -0.089 174.845 174.900 0.058 0.000 1.020 316 G CA 0.568 45.697 45.100 0.047 0.000 1.026 316 G HN 0.768 nan 8.290 nan 0.000 0.512 317 D N 0.050 120.483 120.400 0.056 0.000 2.350 317 D HA 0.222 4.864 4.640 0.005 0.000 0.249 317 D C 1.144 177.496 176.300 0.086 0.000 1.119 317 D CA 0.224 54.249 54.000 0.041 0.000 0.886 317 D CB 0.747 41.548 40.800 0.002 0.000 1.195 317 D HN 0.287 nan 8.370 nan 0.000 0.437 318 D N 1.650 122.095 120.400 0.075 0.000 2.349 318 D HA -0.068 4.575 4.640 0.005 0.000 0.214 318 D C 1.262 177.601 176.300 0.065 0.000 1.063 318 D CA 0.095 54.171 54.000 0.127 0.000 0.847 318 D CB 0.050 40.900 40.800 0.084 0.000 0.933 318 D HN 0.231 nan 8.370 nan 0.000 0.513 319 T N 1.168 115.718 114.554 -0.006 0.000 2.635 319 T HA -0.119 4.234 4.350 0.005 0.000 0.267 319 T C 1.930 176.585 174.700 -0.075 0.000 1.040 319 T CA 1.323 63.396 62.100 -0.045 0.000 1.156 319 T CB -0.171 68.658 68.868 -0.065 0.000 0.863 319 T HN 0.195 nan 8.240 nan 0.000 0.430 320 L N -1.056 120.078 121.223 -0.149 0.000 2.095 320 L HA 0.017 4.360 4.340 0.005 0.000 0.204 320 L C 2.440 179.187 176.870 -0.206 0.000 1.080 320 L CA 1.082 55.791 54.840 -0.219 0.000 0.759 320 L CB -0.531 41.331 42.059 -0.330 0.000 0.914 320 L HN 0.251 nan 8.230 nan 0.000 0.439 321 Y N 0.468 120.748 120.300 -0.034 0.000 2.181 321 Y HA -0.263 4.289 4.550 0.004 0.000 0.288 321 Y C 2.702 178.584 175.900 -0.030 0.000 1.146 321 Y CA 1.304 59.386 58.100 -0.028 0.000 1.164 321 Y CB -0.482 37.964 38.460 -0.024 0.000 0.982 321 Y HN 0.090 nan 8.280 nan 0.000 0.515 322 K N 0.064 120.542 120.400 0.129 0.000 2.057 322 K HA -0.186 4.137 4.320 0.005 0.000 0.206 322 K C 2.100 178.707 176.600 0.012 0.000 1.050 322 K CA 1.213 57.533 56.287 0.054 0.000 0.935 322 K CB -0.460 32.057 32.500 0.028 0.000 0.715 322 K HN 0.226 nan 8.250 nan 0.000 0.439 323 L N 2.287 123.501 121.223 -0.014 0.000 1.989 323 L HA -0.182 4.161 4.340 0.005 0.000 0.211 323 L C 2.273 179.129 176.870 -0.024 0.000 1.071 323 L CA 1.942 56.762 54.840 -0.033 0.000 0.749 323 L CB -0.724 41.299 42.059 -0.060 0.000 0.890 323 L HN 0.294 nan 8.230 nan 0.000 0.431 324 E N -1.198 118.992 120.200 -0.017 0.000 2.118 324 E HA -0.266 4.086 4.350 0.005 0.000 0.195 324 E C 2.210 178.811 176.600 0.001 0.000 0.992 324 E CA 1.449 57.846 56.400 -0.006 0.000 0.804 324 E CB -0.091 29.617 29.700 0.013 0.000 0.741 324 E HN 0.614 nan 8.360 nan 0.000 0.458 325 S N -0.081 115.629 115.700 0.016 0.000 2.387 325 S HA -0.066 4.407 4.470 0.005 0.000 0.226 325 S C 2.119 176.710 174.600 -0.015 0.000 1.026 325 S CA 0.509 58.715 58.200 0.010 0.000 0.972 325 S CB -0.174 63.041 63.200 0.025 0.000 0.814 325 S HN 0.300 nan 8.310 nan 0.000 0.477 326 L N 1.420 122.631 121.223 -0.022 0.000 2.017 326 L HA -0.078 4.265 4.340 0.005 0.000 0.208 326 L C 3.095 179.928 176.870 -0.061 0.000 1.073 326 L CA 1.593 56.411 54.840 -0.038 0.000 0.745 326 L CB -0.638 41.399 42.059 -0.037 0.000 0.894 326 L HN 0.367 nan 8.230 nan 0.000 0.432 327 R N 0.652 121.118 120.500 -0.058 0.000 2.122 327 R HA -0.230 4.113 4.340 0.005 0.000 0.236 327 R C 1.820 178.044 176.300 -0.126 0.000 1.129 327 R CA 2.517 58.568 56.100 -0.082 0.000 0.925 327 R CB -0.631 29.638 30.300 -0.052 0.000 0.850 327 R HN 0.362 nan 8.270 nan 0.000 0.431 328 D N 0.680 121.024 120.400 -0.092 0.000 2.103 328 D HA -0.209 4.433 4.640 0.005 0.000 0.190 328 D C 2.094 178.302 176.300 -0.154 0.000 0.997 328 D CA 1.416 55.357 54.000 -0.100 0.000 0.833 328 D CB -0.402 40.374 40.800 -0.040 0.000 0.961 328 D HN 0.256 nan 8.370 nan 0.000 0.447 329 L N -0.108 121.053 121.223 -0.103 0.000 2.291 329 L HA -0.042 4.300 4.340 0.005 0.000 0.214 329 L C 2.233 179.024 176.870 -0.132 0.000 1.120 329 L CA 0.575 55.373 54.840 -0.071 0.000 0.799 329 L CB 0.061 42.109 42.059 -0.017 0.000 0.925 329 L HN 0.012 nan 8.230 nan 0.000 0.446 330 L N -2.389 118.713 121.223 -0.202 0.000 2.556 330 L HA 0.261 4.604 4.340 0.005 0.000 0.226 330 L C 1.634 178.266 176.870 -0.398 0.000 1.089 330 L CA 0.625 55.363 54.840 -0.171 0.000 0.864 330 L CB 0.034 42.056 42.059 -0.062 0.000 1.067 330 L HN 0.226 nan 8.230 nan 0.000 0.477 331 G N -1.121 107.288 108.800 -0.651 0.000 3.738 331 G HA2 0.443 4.405 3.960 0.005 0.000 0.241 331 G HA3 0.443 4.405 3.960 0.005 0.000 0.241 331 G C 0.683 175.188 174.900 -0.657 0.000 1.068 331 G CA 0.352 45.086 45.100 -0.611 0.000 0.899 331 G HN 0.358 nan 8.290 nan 0.000 0.519 332 G N 0.542 108.868 108.800 -0.791 0.000 2.562 332 G HA2 -0.282 3.681 3.960 0.005 0.000 0.250 332 G HA3 -0.282 3.681 3.960 0.005 0.000 0.250 332 G C 1.010 175.867 174.900 -0.072 0.000 1.269 332 G CA 0.033 44.966 45.100 -0.279 0.000 0.919 332 G HN 0.552 nan 8.290 nan 0.000 0.574 333 L N -0.319 120.932 121.223 0.047 0.000 2.217 333 L HA -0.006 4.337 4.340 0.005 0.000 0.211 333 L C 2.793 179.675 176.870 0.020 0.000 1.107 333 L CA 1.758 56.620 54.840 0.036 0.000 0.783 333 L CB -0.320 41.777 42.059 0.064 0.000 0.919 333 L HN 0.497 nan 8.230 nan 0.000 0.442 334 Q N -0.094 119.729 119.800 0.039 0.000 2.392 334 Q HA 0.251 4.593 4.340 0.005 0.000 0.203 334 Q C 0.636 176.601 176.000 -0.058 0.000 0.917 334 Q CA 0.054 55.869 55.803 0.019 0.000 0.939 334 Q CB 0.239 29.023 28.738 0.077 0.000 1.063 334 Q HN 0.364 nan 8.270 nan 0.000 0.516 335 A N 0.715 123.480 122.820 -0.093 0.000 2.445 335 A HA 0.441 4.764 4.320 0.005 0.000 0.242 335 A C -0.154 177.306 177.584 -0.207 0.000 1.075 335 A CA 0.038 51.962 52.037 -0.189 0.000 0.777 335 A CB 0.338 19.212 19.000 -0.210 0.000 1.013 335 A HN 0.221 nan 8.150 nan 0.000 0.493 336 R N -0.230 120.068 120.500 -0.336 0.000 2.750 336 R HA 0.704 5.047 4.340 0.005 0.000 0.281 336 R C -0.783 175.558 176.300 0.068 0.000 0.972 336 R CA -0.207 55.757 56.100 -0.227 0.000 0.912 336 R CB 2.435 32.383 30.300 -0.587 0.000 1.187 336 R HN 0.973 nan 8.270 nan 0.000 0.464 337 A N 2.443 125.422 122.820 0.264 0.000 2.515 337 A HA 0.716 5.038 4.320 0.005 0.000 0.298 337 A C -1.370 176.233 177.584 0.031 0.000 1.059 337 A CA -0.689 51.488 52.037 0.233 0.000 0.698 337 A CB 1.928 20.959 19.000 0.052 0.000 1.289 337 A HN 0.721 nan 8.150 nan 0.000 0.404 338 M N 2.054 121.509 119.600 -0.242 0.000 2.530 338 M HA 0.741 5.224 4.480 0.005 0.000 0.307 338 M C -2.167 173.936 176.300 -0.329 0.000 1.161 338 M CA -0.988 53.973 55.300 -0.566 0.000 0.903 338 M CB 1.834 33.687 32.600 -1.245 0.000 1.711 338 M HN 0.732 nan 8.290 nan 0.000 0.451 339 L N 5.257 126.302 121.223 -0.297 0.000 2.305 339 L HA 0.624 4.967 4.340 0.005 0.000 0.284 339 L C -1.650 175.086 176.870 -0.224 0.000 1.013 339 L CA -0.396 54.314 54.840 -0.216 0.000 0.819 339 L CB 1.705 43.660 42.059 -0.174 0.000 1.227 339 L HN 0.557 nan 8.230 nan 0.000 0.417 340 V N 4.304 124.105 119.914 -0.188 0.000 2.383 340 V HA 0.551 4.673 4.120 0.005 0.000 0.275 340 V C 0.161 176.185 176.094 -0.117 0.000 1.036 340 V CA -0.279 61.926 62.300 -0.159 0.000 0.889 340 V CB 1.174 32.913 31.823 -0.141 0.000 0.985 340 V HN 0.856 nan 8.190 nan 0.000 0.459 341 S N 3.523 119.169 115.700 -0.090 0.000 2.519 341 S HA 0.457 4.929 4.470 0.005 0.000 0.309 341 S C 0.265 174.881 174.600 0.026 0.000 1.100 341 S CA -0.546 57.626 58.200 -0.046 0.000 1.059 341 S CB 0.921 64.075 63.200 -0.077 0.000 1.008 341 S HN 0.616 nan 8.310 nan 0.000 0.478 342 F N 5.389 125.296 119.950 -0.073 0.000 2.259 342 F HA 0.307 4.837 4.527 0.005 0.000 0.298 342 F C 1.088 176.894 175.800 0.009 0.000 1.088 342 F CA 0.854 58.857 58.000 0.006 0.000 1.358 342 F CB 0.223 39.258 39.000 0.059 0.000 1.040 342 F HN 0.436 nan 8.300 nan 0.000 0.505 343 R N 1.041 121.503 120.500 -0.064 0.000 2.536 343 R HA 0.320 4.663 4.340 0.005 0.000 0.279 343 R C -2.410 173.810 176.300 -0.133 0.000 1.001 343 R CA -2.179 53.829 56.100 -0.153 0.000 1.027 343 R CB -0.121 30.153 30.300 -0.043 0.000 1.096 343 R HN -0.075 nan 8.270 nan 0.000 0.502 344 P HA -0.005 nan 4.420 nan 0.000 0.266 344 P C -0.778 176.461 177.300 -0.102 0.000 1.193 344 P CA 0.194 63.223 63.100 -0.118 0.000 0.770 344 P CB 0.362 32.001 31.700 -0.102 0.000 0.836 345 L N 2.019 123.173 121.223 -0.114 0.000 2.296 345 L HA 0.484 4.827 4.340 0.005 0.000 0.286 345 L C 0.996 177.797 176.870 -0.116 0.000 1.023 345 L CA -0.638 54.130 54.840 -0.119 0.000 0.812 345 L CB 0.794 42.763 42.059 -0.149 0.000 1.223 345 L HN 0.290 nan 8.230 nan 0.000 0.421 346 R N 1.364 121.814 120.500 -0.084 0.000 2.734 346 R HA -0.002 4.341 4.340 0.005 0.000 0.266 346 R C 0.978 177.239 176.300 -0.066 0.000 1.044 346 R CA -0.210 55.862 56.100 -0.048 0.000 1.128 346 R CB 0.408 30.691 30.300 -0.028 0.000 1.010 346 R HN 0.694 nan 8.270 nan 0.000 0.461 347 H N 2.661 121.702 119.070 -0.047 0.000 2.421 347 H HA -0.142 4.416 4.556 0.004 0.000 0.298 347 H C 1.254 176.554 175.328 -0.046 0.000 1.087 347 H CA 1.654 57.674 56.048 -0.046 0.000 1.330 347 H CB 0.323 30.062 29.762 -0.038 0.000 1.388 347 H HN 0.584 nan 8.280 nan 0.000 0.526 348 N N 0.925 119.661 118.700 0.060 0.000 2.049 348 N HA -0.163 4.580 4.740 0.005 0.000 0.198 348 N C 1.399 176.885 175.510 -0.040 0.000 1.030 348 N CA 1.518 54.575 53.050 0.013 0.000 0.870 348 N CB -0.299 38.188 38.487 0.000 0.000 1.045 348 N HN 0.487 nan 8.380 nan 0.000 0.434 349 D N 0.406 120.760 120.400 -0.075 0.000 2.249 349 D HA 0.067 4.710 4.640 0.005 0.000 0.205 349 D C 2.162 178.377 176.300 -0.142 0.000 0.962 349 D CA 0.115 54.046 54.000 -0.116 0.000 0.860 349 D CB 0.113 40.843 40.800 -0.116 0.000 0.955 349 D HN 0.311 nan 8.370 nan 0.000 0.505 350 I N 1.028 121.497 120.570 -0.169 0.000 2.113 350 I HA -0.236 3.937 4.170 0.005 0.000 0.238 350 I C 2.338 178.379 176.117 -0.126 0.000 1.070 350 I CA 1.083 62.261 61.300 -0.203 0.000 1.332 350 I CB -0.537 37.236 38.000 -0.379 0.000 1.044 350 I HN -0.066 nan 8.210 nan 0.000 0.402 351 T N 0.218 114.733 114.554 -0.065 0.000 2.759 351 T HA -0.240 4.113 4.350 0.005 0.000 0.269 351 T C 1.987 176.661 174.700 -0.043 0.000 1.042 351 T CA 1.592 63.684 62.100 -0.014 0.000 1.140 351 T CB -0.315 68.579 68.868 0.042 0.000 0.864 351 T HN 0.266 nan 8.240 nan 0.000 0.455 352 R N 0.938 121.393 120.500 -0.074 0.000 2.073 352 R HA 0.088 4.430 4.340 0.005 0.000 0.229 352 R C 2.568 178.790 176.300 -0.131 0.000 1.120 352 R CA 1.299 57.335 56.100 -0.108 0.000 0.967 352 R CB -0.534 29.666 30.300 -0.166 0.000 0.862 352 R HN 0.324 nan 8.270 nan 0.000 0.436 353 A N 0.834 123.570 122.820 -0.139 0.000 1.908 353 A HA -0.245 4.078 4.320 0.005 0.000 0.218 353 A C 2.089 179.619 177.584 -0.091 0.000 1.181 353 A CA 1.803 53.760 52.037 -0.132 0.000 0.627 353 A CB -0.704 18.207 19.000 -0.147 0.000 0.818 353 A HN 0.612 nan 8.150 nan 0.000 0.445 354 E N -0.437 119.718 120.200 -0.075 0.000 2.051 354 E HA -0.280 4.073 4.350 0.005 0.000 0.192 354 E C 1.754 178.337 176.600 -0.028 0.000 0.991 354 E CA 1.455 57.828 56.400 -0.045 0.000 0.799 354 E CB -0.225 29.455 29.700 -0.034 0.000 0.748 354 E HN 0.545 nan 8.360 nan 0.000 0.449 355 D N -0.116 120.268 120.400 -0.027 0.000 2.116 355 D HA -0.178 4.465 4.640 0.005 0.000 0.193 355 D C 1.679 177.974 176.300 -0.007 0.000 0.998 355 D CA 0.915 54.909 54.000 -0.010 0.000 0.836 355 D CB -0.039 40.758 40.800 -0.004 0.000 0.951 355 D HN 0.159 nan 8.370 nan 0.000 0.449 356 L N -0.365 120.841 121.223 -0.028 0.000 2.552 356 L HA 0.266 4.608 4.340 0.005 0.000 0.227 356 L C 1.789 178.649 176.870 -0.017 0.000 1.146 356 L CA 1.114 55.941 54.840 -0.021 0.000 0.858 356 L CB -0.869 41.155 42.059 -0.058 0.000 0.969 356 L HN 0.331 nan 8.230 nan 0.000 0.451 357 G N 0.030 108.820 108.800 -0.017 0.000 2.198 357 G HA2 -0.274 3.689 3.960 0.005 0.000 0.257 357 G HA3 -0.274 3.689 3.960 0.005 0.000 0.257 357 G C 0.153 175.053 174.900 -0.001 0.000 1.042 357 G CA 0.154 45.254 45.100 -0.001 0.000 0.791 357 G HN 0.295 nan 8.290 nan 0.000 0.502 358 L N 0.157 121.356 121.223 -0.040 0.000 2.309 358 L HA 0.759 5.102 4.340 0.005 0.000 0.282 358 L C 0.924 177.729 176.870 -0.109 0.000 1.036 358 L CA -0.535 54.265 54.840 -0.066 0.000 0.806 358 L CB 1.720 43.716 42.059 -0.105 0.000 1.220 358 L HN 0.321 nan 8.230 nan 0.000 0.429 359 A N 4.524 127.240 122.820 -0.173 0.000 2.304 359 A HA 0.775 5.098 4.320 0.005 0.000 0.271 359 A C -0.593 176.789 177.584 -0.337 0.000 1.091 359 A CA -0.333 51.531 52.037 -0.288 0.000 0.812 359 A CB 0.581 19.228 19.000 -0.589 0.000 1.056 359 A HN 0.659 nan 8.150 nan 0.000 0.489 360 L N 1.147 122.187 121.223 -0.305 0.000 2.401 360 L HA 0.550 4.892 4.340 0.005 0.000 0.266 360 L C -1.023 175.665 176.870 -0.303 0.000 0.991 360 L CA -0.301 54.370 54.840 -0.283 0.000 0.818 360 L CB 2.007 43.932 42.059 -0.224 0.000 1.321 360 L HN 0.587 nan 8.230 nan 0.000 0.413 361 I N 1.806 122.210 120.570 -0.277 0.000 2.439 361 I HA 0.430 4.603 4.170 0.005 0.000 0.283 361 I C 0.441 176.451 176.117 -0.179 0.000 1.023 361 I CA -0.247 60.902 61.300 -0.252 0.000 1.100 361 I CB 1.867 39.735 38.000 -0.219 0.000 1.238 361 I HN 0.661 nan 8.210 nan 0.000 0.445 362 G N 6.018 114.713 108.800 -0.175 0.000 2.568 362 G HA2 0.443 4.406 3.960 0.005 0.000 0.293 362 G HA3 0.443 4.406 3.960 0.005 0.000 0.293 362 G C -1.831 173.010 174.900 -0.098 0.000 1.347 362 G CA -1.067 43.954 45.100 -0.131 0.000 1.039 362 G HN 0.329 nan 8.290 nan 0.000 0.523 363 P HA -0.105 nan 4.420 nan 0.000 0.216 363 P C 0.763 178.026 177.300 -0.062 0.000 1.150 363 P CA 1.190 64.227 63.100 -0.106 0.000 0.837 363 P CB 0.234 31.811 31.700 -0.205 0.000 0.786 364 D N 0.188 120.545 120.400 -0.070 0.000 2.144 364 D HA -0.134 4.509 4.640 0.005 0.000 0.199 364 D C 1.644 177.942 176.300 -0.004 0.000 0.984 364 D CA 1.138 55.114 54.000 -0.040 0.000 0.834 364 D CB -0.339 40.431 40.800 -0.050 0.000 0.955 364 D HN 0.411 nan 8.370 nan 0.000 0.465 365 E N -0.223 119.959 120.200 -0.030 0.000 2.474 365 E HA 0.136 4.489 4.350 0.005 0.000 0.195 365 E C 1.951 178.615 176.600 0.107 0.000 1.039 365 E CA -0.229 56.185 56.400 0.022 0.000 0.881 365 E CB 0.299 29.829 29.700 -0.283 0.000 0.970 365 E HN 0.193 nan 8.360 nan 0.000 0.486 366 L N 1.853 123.116 121.223 0.067 0.000 2.191 366 L HA -0.181 4.161 4.340 0.005 0.000 0.212 366 L C 2.366 179.317 176.870 0.135 0.000 1.103 366 L CA 1.072 55.980 54.840 0.114 0.000 0.769 366 L CB -0.375 41.772 42.059 0.146 0.000 0.908 366 L HN 0.205 nan 8.230 nan 0.000 0.438 367 K N -1.086 119.382 120.400 0.114 0.000 2.439 367 K HA -0.097 4.226 4.320 0.005 0.000 0.197 367 K C -0.025 176.627 176.600 0.088 0.000 1.041 367 K CA 0.957 57.302 56.287 0.096 0.000 0.970 367 K CB -0.055 32.489 32.500 0.072 0.000 0.773 367 K HN 0.309 nan 8.250 nan 0.000 0.479 368 D N 1.412 121.885 120.400 0.123 0.000 2.772 368 D HA 0.048 4.690 4.640 0.005 0.000 0.272 368 D C 1.019 177.378 176.300 0.098 0.000 1.314 368 D CA -0.171 53.859 54.000 0.050 0.000 0.835 368 D CB 0.635 41.391 40.800 -0.073 0.000 1.080 368 D HN 0.032 nan 8.370 nan 0.000 0.482 369 L N 1.368 122.672 121.223 0.136 0.000 2.042 369 L HA -0.159 4.183 4.340 0.005 0.000 0.210 369 L C 2.124 179.055 176.870 0.102 0.000 1.076 369 L CA 1.988 56.913 54.840 0.141 0.000 0.749 369 L CB -0.254 41.878 42.059 0.122 0.000 0.893 369 L HN -0.083 nan 8.230 nan 0.000 0.432 370 K N -1.705 118.744 120.400 0.081 0.000 2.097 370 K HA -0.131 4.192 4.320 0.005 0.000 0.205 370 K C 1.866 178.491 176.600 0.041 0.000 1.050 370 K CA 1.708 58.045 56.287 0.084 0.000 0.938 370 K CB -0.168 32.390 32.500 0.096 0.000 0.718 370 K HN 0.374 nan 8.250 nan 0.000 0.442 371 T N 0.580 115.111 114.554 -0.037 0.000 2.737 371 T HA -0.108 4.245 4.350 0.005 0.000 0.265 371 T C 1.510 176.143 174.700 -0.111 0.000 1.038 371 T CA 1.202 63.237 62.100 -0.109 0.000 1.144 371 T CB -0.325 68.413 68.868 -0.217 0.000 0.866 371 T HN 0.344 nan 8.240 nan 0.000 0.434 372 H N 0.775 119.849 119.070 0.007 0.000 2.389 372 H HA 0.121 4.679 4.556 0.004 0.000 0.299 372 H C 2.354 177.656 175.328 -0.043 0.000 1.081 372 H CA 0.811 56.847 56.048 -0.020 0.000 1.345 372 H CB -0.443 29.289 29.762 -0.050 0.000 1.393 372 H HN 0.294 nan 8.280 nan 0.000 0.520 373 L N 0.199 121.451 121.223 0.048 0.000 2.056 373 L HA -0.138 4.205 4.340 0.005 0.000 0.207 373 L C 2.508 179.306 176.870 -0.120 0.000 1.078 373 L CA 1.259 56.033 54.840 -0.111 0.000 0.749 373 L CB -0.490 41.546 42.059 -0.038 0.000 0.901 373 L HN 0.233 nan 8.230 nan 0.000 0.433 374 T N -0.832 113.767 114.554 0.074 0.000 2.708 374 T HA -0.249 4.103 4.350 0.005 0.000 0.266 374 T C 1.850 176.624 174.700 0.123 0.000 1.037 374 T CA 1.365 63.559 62.100 0.156 0.000 1.146 374 T CB -0.237 68.695 68.868 0.108 0.000 0.865 374 T HN 0.375 nan 8.240 nan 0.000 0.435 375 Q N -0.547 119.308 119.800 0.092 0.000 2.112 375 Q HA -0.183 4.160 4.340 0.005 0.000 0.206 375 Q C 2.110 178.202 176.000 0.154 0.000 0.987 375 Q CA 1.736 57.604 55.803 0.109 0.000 0.858 375 Q CB -0.284 28.521 28.738 0.111 0.000 0.905 375 Q HN 0.598 nan 8.270 nan 0.000 0.420 376 W N 0.431 121.672 121.300 -0.098 0.000 2.381 376 W HA -0.147 4.515 4.660 0.004 0.000 0.301 376 W C 1.480 177.993 176.519 -0.010 0.000 1.205 376 W CA 1.092 58.367 57.345 -0.116 0.000 1.285 376 W CB -0.298 28.989 29.460 -0.288 0.000 1.133 376 W HN 0.063 nan 8.180 nan 0.000 0.521 377 F N 0.889 120.867 119.950 0.046 0.000 2.259 377 F HA -0.058 4.472 4.527 0.004 0.000 0.298 377 F C 2.221 177.934 175.800 -0.145 0.000 1.088 377 F CA 1.375 59.252 58.000 -0.204 0.000 1.358 377 F CB -1.152 37.761 39.000 -0.145 0.000 1.040 377 F HN -0.155 nan 8.300 nan 0.000 0.505 378 K N 0.227 120.709 120.400 0.136 0.000 2.057 378 K HA -0.101 4.222 4.320 0.005 0.000 0.207 378 K C 2.261 178.886 176.600 0.042 0.000 1.049 378 K CA 1.278 57.607 56.287 0.070 0.000 0.931 378 K CB -0.603 31.939 32.500 0.069 0.000 0.714 378 K HN 0.197 nan 8.250 nan 0.000 0.440 379 A N 1.589 124.437 122.820 0.047 0.000 2.131 379 A HA -0.111 4.211 4.320 0.005 0.000 0.220 379 A C 2.251 179.842 177.584 0.013 0.000 1.158 379 A CA 1.629 53.687 52.037 0.035 0.000 0.665 379 A CB -0.557 18.480 19.000 0.063 0.000 0.795 379 A HN 0.352 nan 8.150 nan 0.000 0.460 380 A N -1.199 121.619 122.820 -0.004 0.000 2.172 380 A HA 0.391 4.713 4.320 0.005 0.000 0.216 380 A C 1.741 179.328 177.584 0.005 0.000 1.154 380 A CA 1.498 53.541 52.037 0.010 0.000 0.701 380 A CB -1.189 17.792 19.000 -0.033 0.000 0.789 380 A HN 2.133 nan 8.150 nan 0.000 0.465 381 G N -2.466 106.335 108.800 0.002 0.000 2.698 381 G HA2 0.300 4.263 3.960 0.005 0.000 0.233 381 G HA3 0.300 4.263 3.960 0.005 0.000 0.233 381 G C 1.115 176.008 174.900 -0.011 0.000 1.352 381 G CA 0.538 45.639 45.100 0.002 0.000 0.879 381 G HN 2.117 nan 8.290 nan 0.000 0.567 382 G N -1.399 107.395 108.800 -0.009 0.000 2.179 382 G HA2 -0.244 3.719 3.960 0.005 0.000 0.220 382 G HA3 -0.244 3.719 3.960 0.005 0.000 0.220 382 G C 0.418 175.305 174.900 -0.022 0.000 0.990 382 G CA 1.264 46.353 45.100 -0.019 0.000 0.646 382 G HN 1.217 nan 8.290 nan 0.000 0.517 383 N N 0.000 118.690 118.700 -0.016 0.000 1.763 383 N HA 0.000 4.743 4.740 0.005 0.000 0.220 383 N CA 0.000 53.041 53.050 -0.015 0.000 0.885 383 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 383 N HN 0.000 nan 8.380 nan 0.000 0.667