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 1wd7_1_A DATA FIRST_RESID 8 DATA SEQUENCE AVRVAYAGLR RKEAFKALAE KLGFTPLLFP VQATEKVPVP EYRDQVRALA DATA SEQUENCE QGVDLFLATT GVGVRDLLEA GKALGLDLEG PLAKAFRLAR GAKAARALKE DATA SEQUENCE AGLPPHAVGD GTSKSLLPLL PQGRGVAALQ LYGKPLPLLE NALAERGYRV DATA SEQUENCE LPLMPYRHLP DPEGILRLEE ALLRGEVDAL AFVAAIQVEF LFEGAKDPKA DATA SEQUENCE LREALNTRVK ALAVGRVTAD ALREWGVKPF YVDETERLGS LLQGFKRALQ DATA SEQUENCE KEVA 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.654 177.584 0.117 0.000 1.274 8 A CA 0.000 52.091 52.037 0.090 0.000 0.836 8 A CB 0.000 19.053 19.000 0.089 0.000 0.831 9 V N 2.539 122.566 119.914 0.188 0.000 2.485 9 V HA 0.171 4.293 4.120 0.003 0.000 0.287 9 V C 0.731 176.886 176.094 0.101 0.000 1.022 9 V CA 0.406 62.789 62.300 0.140 0.000 1.067 9 V CB 0.265 32.181 31.823 0.156 0.000 0.967 9 V HN 0.728 nan 8.190 nan 0.000 0.479 10 R N 4.040 124.571 120.500 0.052 0.000 2.210 10 R HA 0.454 4.795 4.340 0.003 0.000 0.338 10 R C -0.918 175.393 176.300 0.018 0.000 1.062 10 R CA -0.323 55.811 56.100 0.056 0.000 0.902 10 R CB 0.924 31.262 30.300 0.063 0.000 1.050 10 R HN 0.532 nan 8.270 nan 0.000 0.461 11 V N 3.059 122.995 119.914 0.036 0.000 2.357 11 V HA 0.435 4.557 4.120 0.003 0.000 0.284 11 V C 0.292 176.532 176.094 0.244 0.000 1.018 11 V CA -0.855 61.469 62.300 0.040 0.000 0.841 11 V CB 1.393 33.175 31.823 -0.069 0.000 0.991 11 V HN 0.859 nan 8.190 nan 0.000 0.437 12 A N 4.692 127.578 122.820 0.110 0.000 2.316 12 A HA 0.721 5.042 4.320 0.003 0.000 0.284 12 A C -1.072 176.424 177.584 -0.145 0.000 1.115 12 A CA -0.382 51.708 52.037 0.088 0.000 0.812 12 A CB 0.574 19.654 19.000 0.134 0.000 1.064 12 A HN 0.897 nan 8.150 nan 0.000 0.489 13 Y N 1.407 121.391 120.300 -0.527 0.000 2.350 13 Y HA 0.495 5.048 4.550 0.004 0.000 0.338 13 Y C 0.604 176.233 175.900 -0.452 0.000 0.961 13 Y CA -0.299 57.303 58.100 -0.830 0.000 1.100 13 Y CB 1.849 39.297 38.460 -1.687 0.000 1.179 13 Y HN 0.670 nan 8.280 nan 0.000 0.454 14 A N 4.217 126.539 122.820 -0.830 0.000 2.345 14 A HA 0.370 4.692 4.320 0.003 0.000 0.225 14 A C 0.938 178.138 177.584 -0.640 0.000 1.243 14 A CA 0.434 52.114 52.037 -0.594 0.000 0.875 14 A CB -0.657 18.016 19.000 -0.545 0.000 0.929 14 A HN 0.872 nan 8.150 nan 0.000 0.502 15 G N -1.555 106.448 108.800 -1.328 0.000 2.557 15 G HA2 0.471 4.433 3.960 0.003 0.000 0.292 15 G HA3 0.471 4.433 3.960 0.003 0.000 0.292 15 G C 0.474 175.236 174.900 -0.228 0.000 1.237 15 G CA -0.378 44.242 45.100 -0.799 0.000 0.978 15 G HN 0.167 nan 8.290 nan 0.000 0.498 16 L N -0.519 120.707 121.223 0.006 0.000 2.730 16 L HA 0.122 4.464 4.340 0.003 0.000 0.236 16 L C 2.956 179.903 176.870 0.128 0.000 1.061 16 L CA -0.193 54.693 54.840 0.076 0.000 0.898 16 L CB -0.068 42.019 42.059 0.047 0.000 1.270 16 L HN 0.634 nan 8.230 nan 0.000 0.500 17 R N 1.700 122.283 120.500 0.139 0.000 2.235 17 R HA -0.214 4.128 4.340 0.003 0.000 0.222 17 R C 0.367 176.747 176.300 0.135 0.000 1.095 17 R CA 1.423 57.602 56.100 0.133 0.000 0.863 17 R CB -0.947 29.444 30.300 0.152 0.000 0.824 17 R HN 0.155 nan 8.270 nan 0.000 0.432 18 R N 1.307 121.912 120.500 0.175 0.000 3.752 18 R HA 0.258 4.600 4.340 0.003 0.000 0.291 18 R C 0.912 177.187 176.300 -0.041 0.000 1.433 18 R CA -0.070 56.072 56.100 0.071 0.000 1.518 18 R CB 0.858 31.198 30.300 0.066 0.000 1.413 18 R HN 0.348 nan 8.270 nan 0.000 0.676 19 K N 0.612 121.025 120.400 0.022 0.000 2.103 19 K HA -0.079 4.243 4.320 0.003 0.000 0.204 19 K C 1.191 177.791 176.600 -0.001 0.000 1.052 19 K CA 0.900 57.180 56.287 -0.012 0.000 0.945 19 K CB 0.357 32.896 32.500 0.065 0.000 0.722 19 K HN 0.222 nan 8.250 nan 0.000 0.443 20 E N 0.694 120.895 120.200 0.002 0.000 2.047 20 E HA -0.131 4.221 4.350 0.003 0.000 0.191 20 E C 2.004 178.592 176.600 -0.019 0.000 0.987 20 E CA 1.202 57.601 56.400 -0.003 0.000 0.799 20 E CB -0.314 29.385 29.700 -0.001 0.000 0.752 20 E HN 0.265 nan 8.360 nan 0.000 0.449 21 A N 0.772 123.579 122.820 -0.022 0.000 1.902 21 A HA -0.185 4.137 4.320 0.003 0.000 0.217 21 A C 2.154 179.705 177.584 -0.056 0.000 1.181 21 A CA 1.408 53.428 52.037 -0.029 0.000 0.623 21 A CB -0.859 18.135 19.000 -0.009 0.000 0.818 21 A HN 0.285 nan 8.150 nan 0.000 0.443 22 F N 0.797 120.594 119.950 -0.254 0.000 2.069 22 F HA -0.170 4.359 4.527 0.005 0.000 0.298 22 F C 2.176 177.879 175.800 -0.162 0.000 1.113 22 F CA 2.240 60.050 58.000 -0.317 0.000 1.214 22 F CB -0.257 38.301 39.000 -0.736 0.000 0.978 22 F HN 0.129 nan 8.300 nan 0.000 0.474 23 K N 0.193 120.527 120.400 -0.111 0.000 2.009 23 K HA -0.181 4.140 4.320 0.003 0.000 0.210 23 K C 2.329 178.821 176.600 -0.180 0.000 1.049 23 K CA 1.462 57.663 56.287 -0.143 0.000 0.929 23 K CB -0.697 31.793 32.500 -0.016 0.000 0.714 23 K HN 0.370 nan 8.250 nan 0.000 0.440 24 A N 1.489 124.235 122.820 -0.123 0.000 1.902 24 A HA -0.151 4.171 4.320 0.003 0.000 0.217 24 A C 2.104 179.611 177.584 -0.129 0.000 1.181 24 A CA 1.163 53.140 52.037 -0.101 0.000 0.623 24 A CB -0.505 18.456 19.000 -0.066 0.000 0.818 24 A HN 0.112 nan 8.150 nan 0.000 0.443 25 L N -0.661 120.465 121.223 -0.160 0.000 1.994 25 L HA -0.196 4.146 4.340 0.003 0.000 0.208 25 L C 3.090 179.855 176.870 -0.175 0.000 1.071 25 L CA 2.122 56.874 54.840 -0.146 0.000 0.745 25 L CB -1.628 40.356 42.059 -0.125 0.000 0.892 25 L HN 0.471 nan 8.230 nan 0.000 0.431 26 A N -0.274 122.359 122.820 -0.312 0.000 1.908 26 A HA -0.229 4.092 4.320 0.003 0.000 0.218 26 A C 2.143 179.668 177.584 -0.097 0.000 1.181 26 A CA 1.734 53.662 52.037 -0.183 0.000 0.627 26 A CB -0.442 18.275 19.000 -0.470 0.000 0.818 26 A HN 0.527 nan 8.150 nan 0.000 0.445 27 E N -0.479 119.643 120.200 -0.130 0.000 2.047 27 E HA -0.200 4.151 4.350 0.003 0.000 0.191 27 E C 2.066 178.593 176.600 -0.122 0.000 0.987 27 E CA 1.076 57.418 56.400 -0.096 0.000 0.799 27 E CB -0.189 29.464 29.700 -0.080 0.000 0.752 27 E HN 0.450 nan 8.360 nan 0.000 0.449 28 K N 1.545 121.869 120.400 -0.125 0.000 2.218 28 K HA -0.164 4.158 4.320 0.003 0.000 0.205 28 K C 1.670 178.163 176.600 -0.179 0.000 1.046 28 K CA 1.202 57.414 56.287 -0.125 0.000 0.933 28 K CB -0.149 32.289 32.500 -0.102 0.000 0.728 28 K HN 0.207 nan 8.250 nan 0.000 0.454 29 L N -0.655 120.410 121.223 -0.264 0.000 2.592 29 L HA 0.141 4.482 4.340 0.003 0.000 0.227 29 L C 1.176 177.691 176.870 -0.592 0.000 1.127 29 L CA 0.431 54.992 54.840 -0.464 0.000 0.884 29 L CB 0.025 41.693 42.059 -0.652 0.000 1.065 29 L HN 0.429 nan 8.230 nan 0.000 0.457 30 G N -0.126 108.463 108.800 -0.352 0.000 2.143 30 G HA2 -0.286 3.676 3.960 0.003 0.000 0.249 30 G HA3 -0.286 3.676 3.960 0.003 0.000 0.249 30 G C 0.186 175.015 174.900 -0.118 0.000 0.981 30 G CA -0.352 44.608 45.100 -0.233 0.000 0.665 30 G HN 0.244 nan 8.290 nan 0.000 0.528 31 F N 0.202 120.127 119.950 -0.043 0.000 2.370 31 F HA 0.550 5.079 4.527 0.003 0.000 0.324 31 F C 1.078 176.859 175.800 -0.032 0.000 1.116 31 F CA -0.540 57.448 58.000 -0.020 0.000 1.123 31 F CB 1.554 40.547 39.000 -0.011 0.000 1.238 31 F HN -0.069 nan 8.300 nan 0.000 0.536 32 T N 4.200 118.888 114.554 0.224 0.000 2.929 32 T HA 0.205 4.557 4.350 0.003 0.000 0.331 32 T C -2.454 172.315 174.700 0.115 0.000 1.120 32 T CA -1.472 60.698 62.100 0.117 0.000 0.973 32 T CB 0.404 69.330 68.868 0.097 0.000 1.036 32 T HN 0.200 nan 8.240 nan 0.000 0.502 33 P HA 0.249 nan 4.420 nan 0.000 0.268 33 P C -0.905 176.513 177.300 0.196 0.000 1.204 33 P CA -0.253 62.945 63.100 0.163 0.000 0.768 33 P CB 0.976 32.694 31.700 0.029 0.000 0.842 34 L N 3.363 124.757 121.223 0.286 0.000 2.401 34 L HA 0.467 4.809 4.340 0.003 0.000 0.266 34 L C -0.350 176.523 176.870 0.005 0.000 0.991 34 L CA -1.108 53.780 54.840 0.079 0.000 0.818 34 L CB 1.954 44.093 42.059 0.133 0.000 1.321 34 L HN 0.194 nan 8.230 nan 0.000 0.413 35 L N 3.314 124.388 121.223 -0.247 0.000 2.319 35 L HA 0.462 4.804 4.340 0.003 0.000 0.281 35 L C -0.988 175.609 176.870 -0.455 0.000 1.005 35 L CA 0.291 55.002 54.840 -0.214 0.000 0.828 35 L CB 1.105 43.111 42.059 -0.090 0.000 1.227 35 L HN 0.323 nan 8.230 nan 0.000 0.415 36 F N 4.703 124.594 119.950 -0.098 0.000 2.660 36 F HA 0.350 4.877 4.527 0.001 0.000 0.352 36 F C -2.049 173.661 175.800 -0.149 0.000 1.257 36 F CA -1.691 56.241 58.000 -0.114 0.000 1.200 36 F CB 1.179 40.099 39.000 -0.134 0.000 1.473 36 F HN 0.288 nan 8.300 nan 0.000 0.561 37 P HA 0.044 nan 4.420 nan 0.000 0.271 37 P C 0.465 177.773 177.300 0.013 0.000 1.218 37 P CA 0.113 63.198 63.100 -0.025 0.000 0.780 37 P CB 2.193 33.886 31.700 -0.012 0.000 0.901 38 V N -1.486 118.442 119.914 0.023 0.000 3.477 38 V HA 0.279 4.400 4.120 0.003 0.000 0.297 38 V C 0.584 176.744 176.094 0.110 0.000 1.433 38 V CA 0.268 62.608 62.300 0.065 0.000 1.052 38 V CB -0.641 31.251 31.823 0.114 0.000 0.895 38 V HN 0.361 nan 8.190 nan 0.000 0.438 39 Q N 0.155 120.026 119.800 0.119 0.000 2.282 39 Q HA 0.763 5.105 4.340 0.003 0.000 0.260 39 Q C 1.088 177.118 176.000 0.050 0.000 0.964 39 Q CA 0.103 55.995 55.803 0.148 0.000 0.880 39 Q CB 2.232 31.114 28.738 0.239 0.000 1.286 39 Q HN 0.332 nan 8.270 nan 0.000 0.445 40 A N 2.183 125.008 122.820 0.008 0.000 1.873 40 A HA 0.004 4.326 4.320 0.003 0.000 0.215 40 A C 0.794 178.380 177.584 0.004 0.000 1.186 40 A CA 1.501 53.531 52.037 -0.012 0.000 0.616 40 A CB 0.317 19.294 19.000 -0.038 0.000 0.823 40 A HN 0.656 nan 8.150 nan 0.000 0.442 41 T N -2.622 111.941 114.554 0.014 0.000 2.665 41 T HA 0.409 4.760 4.350 0.003 0.000 0.303 41 T C -1.191 173.501 174.700 -0.013 0.000 1.334 41 T CA -0.522 61.579 62.100 0.002 0.000 1.011 41 T CB 1.198 70.061 68.868 -0.008 0.000 1.573 41 T HN 0.345 nan 8.240 nan 0.000 0.492 42 E N 1.053 121.235 120.200 -0.031 0.000 2.442 42 E HA 0.170 4.522 4.350 0.003 0.000 0.260 42 E C -0.724 175.791 176.600 -0.141 0.000 1.148 42 E CA 0.212 56.570 56.400 -0.070 0.000 0.976 42 E CB 0.356 30.022 29.700 -0.057 0.000 0.967 42 E HN 0.259 nan 8.360 nan 0.000 0.454 43 K N 1.043 121.291 120.400 -0.254 0.000 2.447 43 K HA 0.167 4.489 4.320 0.003 0.000 0.281 43 K C -0.960 175.550 176.600 -0.151 0.000 1.031 43 K CA 0.000 56.050 56.287 -0.396 0.000 1.019 43 K CB 0.573 32.721 32.500 -0.587 0.000 0.918 43 K HN 0.210 nan 8.250 nan 0.000 0.476 44 V N 5.962 125.844 119.914 -0.055 0.000 2.483 44 V HA 0.306 4.427 4.120 0.003 0.000 0.295 44 V C -2.153 174.023 176.094 0.137 0.000 1.035 44 V CA -2.480 59.848 62.300 0.046 0.000 0.896 44 V CB 1.498 33.333 31.823 0.019 0.000 0.986 44 V HN 0.631 nan 8.190 nan 0.000 0.447 45 P HA 0.088 nan 4.420 nan 0.000 0.266 45 P C -0.667 176.638 177.300 0.008 0.000 1.195 45 P CA 0.038 63.174 63.100 0.060 0.000 0.768 45 P CB 0.434 32.167 31.700 0.055 0.000 0.838 46 V N 6.749 126.631 119.914 -0.053 0.000 2.333 46 V HA 0.125 4.246 4.120 0.003 0.000 0.274 46 V C -1.298 174.825 176.094 0.047 0.000 1.028 46 V CA -1.377 60.926 62.300 0.005 0.000 0.851 46 V CB 0.838 32.666 31.823 0.007 0.000 1.000 46 V HN 0.541 nan 8.190 nan 0.000 0.456 47 P HA -0.238 nan 4.420 nan 0.000 0.219 47 P C 1.226 178.562 177.300 0.060 0.000 1.159 47 P CA 1.529 64.656 63.100 0.046 0.000 0.944 47 P CB 0.268 31.990 31.700 0.036 0.000 0.792 48 E N -2.789 117.448 120.200 0.063 0.000 2.515 48 E HA -0.171 4.181 4.350 0.003 0.000 0.201 48 E C 1.678 178.321 176.600 0.072 0.000 1.071 48 E CA 0.250 56.683 56.400 0.055 0.000 0.880 48 E CB -0.838 28.890 29.700 0.046 0.000 0.828 48 E HN 0.357 nan 8.360 nan 0.000 0.540 49 Y N 1.565 121.849 120.300 -0.026 0.000 2.081 49 Y HA -0.289 4.261 4.550 -0.000 0.000 0.280 49 Y C 2.358 178.243 175.900 -0.025 0.000 1.163 49 Y CA 1.983 60.062 58.100 -0.035 0.000 1.135 49 Y CB -0.147 38.268 38.460 -0.076 0.000 0.970 49 Y HN -0.084 nan 8.280 nan 0.000 0.498 50 R N 0.167 120.616 120.500 -0.086 0.000 2.103 50 R HA -0.192 4.150 4.340 0.003 0.000 0.242 50 R C 1.816 178.022 176.300 -0.156 0.000 1.142 50 R CA 2.128 58.138 56.100 -0.150 0.000 0.960 50 R CB -0.362 29.916 30.300 -0.037 0.000 0.858 50 R HN 0.410 nan 8.270 nan 0.000 0.439 51 D N -0.158 120.187 120.400 -0.092 0.000 2.224 51 D HA -0.140 4.501 4.640 0.003 0.000 0.205 51 D C 1.830 178.076 176.300 -0.091 0.000 0.965 51 D CA 0.946 54.904 54.000 -0.070 0.000 0.852 51 D CB -0.028 40.754 40.800 -0.031 0.000 0.947 51 D HN 0.427 nan 8.370 nan 0.000 0.494 52 Q N 0.231 119.954 119.800 -0.128 0.000 2.046 52 Q HA -0.088 4.253 4.340 0.003 0.000 0.200 52 Q C 2.372 178.268 176.000 -0.173 0.000 0.975 52 Q CA 0.851 56.583 55.803 -0.119 0.000 0.836 52 Q CB 0.203 28.896 28.738 -0.076 0.000 0.896 52 Q HN 0.115 nan 8.270 nan 0.000 0.428 53 V N 0.964 120.688 119.914 -0.317 0.000 2.427 53 V HA -0.234 3.888 4.120 0.003 0.000 0.248 53 V C 2.068 178.076 176.094 -0.143 0.000 1.051 53 V CA 1.671 63.810 62.300 -0.268 0.000 1.048 53 V CB -0.548 31.046 31.823 -0.381 0.000 0.666 53 V HN 0.317 nan 8.190 nan 0.000 0.456 54 R N 0.833 121.259 120.500 -0.124 0.000 2.096 54 R HA -0.081 4.261 4.340 0.003 0.000 0.235 54 R C 2.466 178.736 176.300 -0.051 0.000 1.127 54 R CA 1.440 57.496 56.100 -0.074 0.000 0.968 54 R CB -0.686 29.579 30.300 -0.059 0.000 0.861 54 R HN 0.513 nan 8.270 nan 0.000 0.440 55 A N 1.901 124.692 122.820 -0.048 0.000 1.902 55 A HA -0.163 4.159 4.320 0.003 0.000 0.217 55 A C 2.181 179.759 177.584 -0.010 0.000 1.181 55 A CA 1.158 53.183 52.037 -0.021 0.000 0.623 55 A CB -0.479 18.514 19.000 -0.012 0.000 0.818 55 A HN 0.253 nan 8.150 nan 0.000 0.443 56 L N -0.061 121.151 121.223 -0.018 0.000 2.042 56 L HA -0.079 4.263 4.340 0.003 0.000 0.210 56 L C 2.525 179.386 176.870 -0.016 0.000 1.076 56 L CA 2.289 57.129 54.840 -0.000 0.000 0.749 56 L CB -0.751 41.305 42.059 -0.006 0.000 0.893 56 L HN 0.322 nan 8.230 nan 0.000 0.432 57 A N -1.348 121.452 122.820 -0.034 0.000 2.125 57 A HA -0.179 4.143 4.320 0.003 0.000 0.219 57 A C 2.072 179.645 177.584 -0.018 0.000 1.156 57 A CA 1.310 53.327 52.037 -0.034 0.000 0.671 57 A CB -0.494 18.482 19.000 -0.040 0.000 0.794 57 A HN 0.627 nan 8.150 nan 0.000 0.459 58 Q N -0.930 118.865 119.800 -0.009 0.000 2.378 58 Q HA 0.194 4.535 4.340 0.003 0.000 0.205 58 Q C 0.716 176.722 176.000 0.011 0.000 0.954 58 Q CA 0.920 56.723 55.803 0.000 0.000 0.901 58 Q CB -0.099 28.641 28.738 0.004 0.000 0.981 58 Q HN 0.909 nan 8.270 nan 0.000 0.483 59 G N 0.099 108.908 108.800 0.016 0.000 3.187 59 G HA2 0.023 3.985 3.960 0.003 0.000 0.682 59 G HA3 0.023 3.985 3.960 0.003 0.000 0.682 59 G C -0.765 174.168 174.900 0.054 0.000 1.266 59 G CA -0.343 44.775 45.100 0.030 0.000 0.902 59 G HN 0.291 nan 8.290 nan 0.000 0.589 60 V N -0.928 119.030 119.914 0.073 0.000 2.962 60 V HA 0.834 4.956 4.120 0.003 0.000 0.313 60 V C 0.380 176.556 176.094 0.136 0.000 1.099 60 V CA -0.314 62.052 62.300 0.111 0.000 0.971 60 V CB 2.314 34.216 31.823 0.132 0.000 1.028 60 V HN 0.605 nan 8.190 nan 0.000 0.430 61 D N 0.872 121.378 120.400 0.175 0.000 2.301 61 D HA 0.202 4.844 4.640 0.003 0.000 0.206 61 D C 0.013 176.443 176.300 0.215 0.000 0.979 61 D CA 1.125 55.250 54.000 0.208 0.000 0.874 61 D CB 1.244 42.217 40.800 0.289 0.000 0.968 61 D HN 0.433 nan 8.370 nan 0.000 0.510 62 L N 0.045 121.364 121.223 0.160 0.000 2.431 62 L HA 0.457 4.799 4.340 0.003 0.000 0.266 62 L C -1.954 175.004 176.870 0.148 0.000 0.978 62 L CA -0.908 54.005 54.840 0.120 0.000 0.822 62 L CB 2.389 44.357 42.059 -0.152 0.000 1.310 62 L HN -0.252 nan 8.230 nan 0.000 0.409 63 F N 5.569 125.529 119.950 0.016 0.000 2.507 63 F HA 0.743 5.272 4.527 0.003 0.000 0.328 63 F C -1.802 173.979 175.800 -0.032 0.000 1.136 63 F CA -0.678 57.316 58.000 -0.009 0.000 0.930 63 F CB 1.441 40.436 39.000 -0.008 0.000 1.166 63 F HN 0.358 nan 8.300 nan 0.000 0.436 64 L N 6.009 126.757 121.223 -0.791 0.000 2.305 64 L HA 0.766 5.107 4.340 0.003 0.000 0.284 64 L C -0.387 175.973 176.870 -0.849 0.000 1.013 64 L CA -0.442 54.025 54.840 -0.623 0.000 0.819 64 L CB 1.604 43.475 42.059 -0.314 0.000 1.227 64 L HN 0.765 nan 8.230 nan 0.000 0.417 65 A N 1.357 123.839 122.820 -0.564 0.000 2.304 65 A HA 0.623 4.944 4.320 0.003 0.000 0.323 65 A C 0.759 178.267 177.584 -0.126 0.000 1.195 65 A CA 0.111 51.964 52.037 -0.306 0.000 0.826 65 A CB 0.796 19.768 19.000 -0.047 0.000 1.184 65 A HN 0.831 nan 8.150 nan 0.000 0.496 66 T N -1.338 113.191 114.554 -0.041 0.000 3.034 66 T HA 0.243 4.595 4.350 0.003 0.000 0.248 66 T C 0.793 175.486 174.700 -0.012 0.000 1.040 66 T CA 1.089 63.199 62.100 0.016 0.000 1.107 66 T CB -0.356 68.617 68.868 0.176 0.000 0.932 66 T HN 1.125 nan 8.240 nan 0.000 0.474 67 T N -2.221 112.342 114.554 0.014 0.000 2.896 67 T HA 0.682 5.033 4.350 0.003 0.000 0.297 67 T C 1.285 175.994 174.700 0.015 0.000 1.108 67 T CA -0.238 61.852 62.100 -0.017 0.000 1.004 67 T CB 1.563 70.413 68.868 -0.029 0.000 1.159 67 T HN 0.041 nan 8.240 nan 0.000 0.499 68 G N 0.170 108.968 108.800 -0.002 0.000 2.394 68 G HA2 -0.086 3.876 3.960 0.003 0.000 0.214 68 G HA3 -0.086 3.876 3.960 0.003 0.000 0.214 68 G C 1.463 176.382 174.900 0.033 0.000 1.176 68 G CA 0.872 45.981 45.100 0.014 0.000 0.786 68 G HN 0.805 nan 8.290 nan 0.000 0.533 69 V N 1.568 121.498 119.914 0.027 0.000 2.407 69 V HA -0.013 4.109 4.120 0.003 0.000 0.248 69 V C 2.786 178.925 176.094 0.075 0.000 1.055 69 V CA 2.692 65.019 62.300 0.046 0.000 1.049 69 V CB -0.736 31.110 31.823 0.039 0.000 0.662 69 V HN 0.342 nan 8.190 nan 0.000 0.455 70 G N -0.746 108.106 108.800 0.086 0.000 2.418 70 G HA2 -0.184 3.777 3.960 0.003 0.000 0.217 70 G HA3 -0.184 3.777 3.960 0.003 0.000 0.217 70 G C 1.648 176.634 174.900 0.143 0.000 1.158 70 G CA 1.188 46.361 45.100 0.121 0.000 0.771 70 G HN 0.451 nan 8.290 nan 0.000 0.545 71 V N 0.545 120.541 119.914 0.136 0.000 2.358 71 V HA -0.136 3.986 4.120 0.003 0.000 0.246 71 V C 2.928 179.080 176.094 0.097 0.000 1.047 71 V CA 1.847 64.240 62.300 0.155 0.000 1.035 71 V CB -0.432 31.475 31.823 0.140 0.000 0.658 71 V HN 0.302 nan 8.190 nan 0.000 0.452 72 R N -0.100 120.445 120.500 0.075 0.000 2.081 72 R HA -0.152 4.190 4.340 0.003 0.000 0.235 72 R C 2.058 178.398 176.300 0.067 0.000 1.131 72 R CA 1.733 57.867 56.100 0.055 0.000 0.960 72 R CB -0.416 29.911 30.300 0.045 0.000 0.856 72 R HN 0.503 nan 8.270 nan 0.000 0.436 73 D N 0.681 121.134 120.400 0.089 0.000 2.144 73 D HA -0.130 4.512 4.640 0.003 0.000 0.200 73 D C 1.785 178.161 176.300 0.125 0.000 0.978 73 D CA 0.682 54.743 54.000 0.102 0.000 0.833 73 D CB -0.133 40.735 40.800 0.113 0.000 0.961 73 D HN 0.053 nan 8.370 nan 0.000 0.470 74 L N 0.381 121.691 121.223 0.145 0.000 2.027 74 L HA -0.067 4.274 4.340 0.003 0.000 0.206 74 L C 2.009 178.925 176.870 0.078 0.000 1.074 74 L CA 1.425 56.365 54.840 0.167 0.000 0.745 74 L CB -0.510 41.662 42.059 0.188 0.000 0.898 74 L HN -0.005 nan 8.230 nan 0.000 0.433 75 L N -0.121 121.128 121.223 0.043 0.000 2.056 75 L HA -0.192 4.150 4.340 0.003 0.000 0.207 75 L C 2.692 179.569 176.870 0.012 0.000 1.078 75 L CA 1.730 56.569 54.840 -0.001 0.000 0.749 75 L CB -0.872 41.178 42.059 -0.015 0.000 0.901 75 L HN 0.522 nan 8.230 nan 0.000 0.433 76 E N 1.070 121.290 120.200 0.034 0.000 2.077 76 E HA -0.244 4.107 4.350 0.003 0.000 0.193 76 E C 2.172 178.795 176.600 0.039 0.000 0.989 76 E CA 1.302 57.723 56.400 0.035 0.000 0.800 76 E CB -0.221 29.506 29.700 0.046 0.000 0.746 76 E HN 0.383 nan 8.360 nan 0.000 0.452 77 A N 1.612 124.470 122.820 0.063 0.000 1.908 77 A HA -0.073 4.248 4.320 0.003 0.000 0.218 77 A C 2.536 180.131 177.584 0.019 0.000 1.181 77 A CA 1.852 53.930 52.037 0.068 0.000 0.627 77 A CB -1.385 17.703 19.000 0.146 0.000 0.818 77 A HN 0.469 nan 8.150 nan 0.000 0.445 78 G N -0.376 108.425 108.800 0.000 0.000 2.421 78 G HA2 -0.241 3.721 3.960 0.003 0.000 0.216 78 G HA3 -0.241 3.721 3.960 0.003 0.000 0.216 78 G C 1.677 176.565 174.900 -0.020 0.000 1.171 78 G CA 1.091 46.174 45.100 -0.028 0.000 0.775 78 G HN 0.566 nan 8.290 nan 0.000 0.543 79 K N 0.510 120.904 120.400 -0.010 0.000 2.148 79 K HA 0.078 4.399 4.320 0.003 0.000 0.204 79 K C 2.873 179.472 176.600 -0.002 0.000 1.050 79 K CA 0.849 57.131 56.287 -0.008 0.000 0.942 79 K CB -0.134 32.363 32.500 -0.005 0.000 0.724 79 K HN 0.287 nan 8.250 nan 0.000 0.446 80 A N 1.069 123.893 122.820 0.006 0.000 1.929 80 A HA -0.058 4.264 4.320 0.003 0.000 0.216 80 A C 1.914 179.501 177.584 0.004 0.000 1.176 80 A CA 0.991 53.034 52.037 0.010 0.000 0.628 80 A CB -0.349 18.663 19.000 0.021 0.000 0.816 80 A HN 0.162 nan 8.150 nan 0.000 0.444 81 L N -0.897 120.324 121.223 -0.003 0.000 2.610 81 L HA 0.138 4.480 4.340 0.003 0.000 0.232 81 L C 1.549 178.411 176.870 -0.015 0.000 1.149 81 L CA 0.545 55.378 54.840 -0.012 0.000 0.872 81 L CB -0.227 41.816 42.059 -0.027 0.000 0.992 81 L HN 0.583 nan 8.230 nan 0.000 0.447 82 G N 0.668 109.460 108.800 -0.013 0.000 2.182 82 G HA2 -0.265 3.697 3.960 0.003 0.000 0.248 82 G HA3 -0.265 3.697 3.960 0.003 0.000 0.248 82 G C -0.080 174.809 174.900 -0.019 0.000 1.042 82 G CA -0.128 44.964 45.100 -0.013 0.000 0.775 82 G HN 0.234 nan 8.290 nan 0.000 0.501 83 L N -0.040 121.168 121.223 -0.026 0.000 2.325 83 L HA 0.571 4.912 4.340 0.003 0.000 0.278 83 L C -0.140 176.710 176.870 -0.034 0.000 1.023 83 L CA -1.075 53.746 54.840 -0.032 0.000 0.811 83 L CB 1.703 43.736 42.059 -0.044 0.000 1.249 83 L HN 0.146 nan 8.230 nan 0.000 0.431 84 D N 2.487 122.866 120.400 -0.034 0.000 2.428 84 D HA 0.271 4.912 4.640 0.003 0.000 0.221 84 D C 0.419 176.689 176.300 -0.050 0.000 1.123 84 D CA -0.087 53.891 54.000 -0.037 0.000 0.869 84 D CB 0.919 41.702 40.800 -0.028 0.000 1.032 84 D HN 0.389 nan 8.370 nan 0.000 0.506 85 L N 2.523 123.707 121.223 -0.066 0.000 2.463 85 L HA 0.158 4.500 4.340 0.003 0.000 0.219 85 L C 1.933 178.735 176.870 -0.113 0.000 1.088 85 L CA 0.117 54.899 54.840 -0.096 0.000 0.849 85 L CB 0.038 42.026 42.059 -0.119 0.000 1.012 85 L HN 0.393 nan 8.230 nan 0.000 0.468 86 E N 0.777 120.924 120.200 -0.089 0.000 2.110 86 E HA -0.142 4.210 4.350 0.003 0.000 0.193 86 E C 2.186 178.748 176.600 -0.064 0.000 0.988 86 E CA 1.064 57.413 56.400 -0.085 0.000 0.804 86 E CB -0.140 29.523 29.700 -0.061 0.000 0.745 86 E HN 0.526 nan 8.360 nan 0.000 0.458 87 G N 2.059 110.831 108.800 -0.047 0.000 2.453 87 G HA2 -0.200 3.761 3.960 0.003 0.000 0.215 87 G HA3 -0.200 3.761 3.960 0.003 0.000 0.215 87 G C -0.787 174.098 174.900 -0.024 0.000 1.201 87 G CA 0.548 45.631 45.100 -0.028 0.000 0.784 87 G HN 0.217 nan 8.290 nan 0.000 0.545 88 P HA -0.028 nan 4.420 nan 0.000 0.216 88 P C 1.965 179.254 177.300 -0.019 0.000 1.150 88 P CA 0.740 63.830 63.100 -0.017 0.000 0.837 88 P CB -0.103 31.582 31.700 -0.025 0.000 0.786 89 L N -1.531 119.648 121.223 -0.073 0.000 2.291 89 L HA -0.057 4.284 4.340 0.003 0.000 0.214 89 L C 2.328 179.184 176.870 -0.023 0.000 1.120 89 L CA 0.975 55.759 54.840 -0.094 0.000 0.799 89 L CB -0.959 40.947 42.059 -0.255 0.000 0.925 89 L HN -0.041 nan 8.230 nan 0.000 0.446 90 A N 1.247 124.058 122.820 -0.016 0.000 2.015 90 A HA -0.180 4.142 4.320 0.003 0.000 0.219 90 A C 2.117 179.739 177.584 0.064 0.000 1.163 90 A CA 1.574 53.621 52.037 0.016 0.000 0.646 90 A CB -0.269 18.734 19.000 0.004 0.000 0.806 90 A HN 0.544 nan 8.150 nan 0.000 0.448 91 K N -1.217 119.222 120.400 0.064 0.000 2.373 91 K HA 0.599 4.921 4.320 0.003 0.000 0.202 91 K C 0.310 176.982 176.600 0.120 0.000 1.025 91 K CA 0.367 56.704 56.287 0.084 0.000 1.115 91 K CB 0.233 32.767 32.500 0.057 0.000 0.858 91 K HN 0.240 nan 8.250 nan 0.000 0.525 92 A N 1.182 124.091 122.820 0.149 0.000 2.281 92 A HA 0.541 4.863 4.320 0.003 0.000 0.329 92 A C -1.229 176.544 177.584 0.315 0.000 1.122 92 A CA -0.713 51.446 52.037 0.204 0.000 0.850 92 A CB 0.407 19.515 19.000 0.180 0.000 1.207 92 A HN 0.330 nan 8.150 nan 0.000 0.495 93 F N 1.342 121.388 119.950 0.160 0.000 2.445 93 F HA 0.442 4.970 4.527 0.002 0.000 0.359 93 F C 0.606 176.582 175.800 0.292 0.000 1.101 93 F CA -0.065 58.065 58.000 0.217 0.000 1.177 93 F CB 0.527 39.568 39.000 0.069 0.000 1.110 93 F HN 0.493 nan 8.300 nan 0.000 0.522 94 R N 7.037 127.530 120.500 -0.012 0.000 2.295 94 R HA 0.585 4.926 4.340 0.003 0.000 0.324 94 R C -1.449 174.631 176.300 -0.367 0.000 0.968 94 R CA -0.910 55.107 56.100 -0.138 0.000 0.837 94 R CB 1.598 31.806 30.300 -0.154 0.000 1.133 94 R HN 0.640 nan 8.270 nan 0.000 0.450 95 L N 1.879 122.963 121.223 -0.232 0.000 2.365 95 L HA 0.659 5.001 4.340 0.003 0.000 0.273 95 L C -0.676 176.103 176.870 -0.152 0.000 1.000 95 L CA -0.457 54.257 54.840 -0.210 0.000 0.819 95 L CB 2.091 44.073 42.059 -0.128 0.000 1.284 95 L HN 0.726 nan 8.230 nan 0.000 0.418 96 A N 3.144 125.894 122.820 -0.118 0.000 2.342 96 A HA 0.499 4.821 4.320 0.003 0.000 0.323 96 A C 0.674 178.213 177.584 -0.076 0.000 1.125 96 A CA -0.606 51.377 52.037 -0.090 0.000 0.785 96 A CB 1.338 20.298 19.000 -0.066 0.000 1.221 96 A HN 0.902 nan 8.150 nan 0.000 0.463 97 R N 1.806 122.263 120.500 -0.072 0.000 2.081 97 R HA 0.025 4.367 4.340 0.003 0.000 0.235 97 R C 0.858 177.122 176.300 -0.059 0.000 1.131 97 R CA 1.979 58.043 56.100 -0.061 0.000 0.960 97 R CB -0.001 30.267 30.300 -0.053 0.000 0.856 97 R HN 0.891 nan 8.270 nan 0.000 0.436 98 G N -2.854 105.910 108.800 -0.060 0.000 2.749 98 G HA2 0.457 4.419 3.960 0.003 0.000 0.300 98 G HA3 0.457 4.419 3.960 0.003 0.000 0.300 98 G C 0.028 174.897 174.900 -0.051 0.000 1.352 98 G CA -0.126 44.939 45.100 -0.058 0.000 0.789 98 G HN 0.160 nan 8.290 nan 0.000 0.509 99 A N -0.199 122.592 122.820 -0.049 0.000 1.917 99 A HA -0.051 4.270 4.320 0.003 0.000 0.219 99 A C 2.175 179.736 177.584 -0.038 0.000 1.182 99 A CA 2.368 54.380 52.037 -0.042 0.000 0.633 99 A CB -0.521 18.455 19.000 -0.040 0.000 0.819 99 A HN 0.575 nan 8.150 nan 0.000 0.448 100 K N -0.570 119.804 120.400 -0.043 0.000 2.026 100 K HA -0.035 4.287 4.320 0.003 0.000 0.208 100 K C 2.331 178.917 176.600 -0.024 0.000 1.048 100 K CA 1.163 57.429 56.287 -0.035 0.000 0.929 100 K CB -0.323 32.151 32.500 -0.045 0.000 0.713 100 K HN 0.449 nan 8.250 nan 0.000 0.439 101 A N 1.287 124.091 122.820 -0.027 0.000 1.902 101 A HA -0.114 4.208 4.320 0.003 0.000 0.217 101 A C 2.334 179.914 177.584 -0.006 0.000 1.181 101 A CA 1.825 53.857 52.037 -0.008 0.000 0.623 101 A CB -0.725 18.263 19.000 -0.020 0.000 0.818 101 A HN 0.342 nan 8.150 nan 0.000 0.443 102 A N -0.030 122.774 122.820 -0.026 0.000 1.877 102 A HA -0.185 4.137 4.320 0.003 0.000 0.216 102 A C 2.225 179.792 177.584 -0.029 0.000 1.186 102 A CA 1.999 54.015 52.037 -0.035 0.000 0.620 102 A CB -0.511 18.462 19.000 -0.044 0.000 0.822 102 A HN 0.559 nan 8.150 nan 0.000 0.443 103 R N -0.263 120.223 120.500 -0.024 0.000 2.091 103 R HA -0.090 4.252 4.340 0.003 0.000 0.238 103 R C 2.213 178.505 176.300 -0.013 0.000 1.136 103 R CA 1.729 57.816 56.100 -0.020 0.000 0.959 103 R CB -0.507 29.782 30.300 -0.018 0.000 0.856 103 R HN 0.412 nan 8.270 nan 0.000 0.437 104 A N 0.692 123.510 122.820 -0.004 0.000 1.933 104 A HA -0.115 4.206 4.320 0.003 0.000 0.218 104 A C 2.187 179.772 177.584 0.002 0.000 1.175 104 A CA 1.299 53.339 52.037 0.006 0.000 0.628 104 A CB -0.517 18.496 19.000 0.022 0.000 0.814 104 A HN 0.379 nan 8.150 nan 0.000 0.444 105 L N -1.305 119.920 121.223 0.003 0.000 2.027 105 L HA -0.178 4.164 4.340 0.003 0.000 0.206 105 L C 2.609 179.456 176.870 -0.038 0.000 1.074 105 L CA 1.674 56.507 54.840 -0.012 0.000 0.745 105 L CB -0.379 41.678 42.059 -0.004 0.000 0.898 105 L HN 0.253 nan 8.230 nan 0.000 0.433 106 K N 0.400 120.776 120.400 -0.039 0.000 2.032 106 K HA -0.204 4.118 4.320 0.003 0.000 0.209 106 K C 1.930 178.511 176.600 -0.031 0.000 1.048 106 K CA 1.522 57.784 56.287 -0.042 0.000 0.927 106 K CB -0.138 32.340 32.500 -0.036 0.000 0.712 106 K HN 0.271 nan 8.250 nan 0.000 0.441 107 E N -0.524 119.662 120.200 -0.023 0.000 2.265 107 E HA -0.119 4.233 4.350 0.003 0.000 0.196 107 E C 1.366 177.954 176.600 -0.020 0.000 0.996 107 E CA 0.844 57.234 56.400 -0.018 0.000 0.832 107 E CB 0.016 29.709 29.700 -0.011 0.000 0.756 107 E HN 0.342 nan 8.360 nan 0.000 0.491 108 A N 0.199 123.004 122.820 -0.026 0.000 2.251 108 A HA 0.297 4.619 4.320 0.003 0.000 0.209 108 A C 1.612 179.172 177.584 -0.039 0.000 1.187 108 A CA 0.626 52.644 52.037 -0.032 0.000 0.823 108 A CB -0.160 18.815 19.000 -0.040 0.000 0.846 108 A HN 0.286 nan 8.150 nan 0.000 0.486 109 G N -1.128 107.649 108.800 -0.037 0.000 2.147 109 G HA2 -0.203 3.758 3.960 0.003 0.000 0.244 109 G HA3 -0.203 3.758 3.960 0.003 0.000 0.244 109 G C 0.090 174.959 174.900 -0.050 0.000 1.005 109 G CA 0.422 45.499 45.100 -0.038 0.000 0.713 109 G HN 0.646 nan 8.290 nan 0.000 0.515 110 L N 1.270 122.452 121.223 -0.067 0.000 2.783 110 L HA 0.287 4.629 4.340 0.003 0.000 0.265 110 L C -1.885 174.909 176.870 -0.126 0.000 1.398 110 L CA -1.859 52.924 54.840 -0.095 0.000 0.802 110 L CB 1.329 43.323 42.059 -0.108 0.000 1.126 110 L HN -0.011 nan 8.230 nan 0.000 0.529 111 P HA 0.054 nan 4.420 nan 0.000 0.266 111 P C -2.493 174.645 177.300 -0.271 0.000 1.193 111 P CA -0.641 62.371 63.100 -0.147 0.000 0.770 111 P CB -0.079 31.558 31.700 -0.106 0.000 0.836 112 P HA 0.070 nan 4.420 nan 0.000 0.274 112 P C 0.583 177.648 177.300 -0.391 0.000 1.237 112 P CA 0.061 62.964 63.100 -0.329 0.000 0.793 112 P CB 0.657 32.248 31.700 -0.181 0.000 0.977 113 H N -0.046 118.866 119.070 -0.264 0.000 2.486 113 H HA 0.347 4.905 4.556 0.002 0.000 0.287 113 H C 0.745 175.980 175.328 -0.155 0.000 1.010 113 H CA 0.695 56.603 56.048 -0.233 0.000 1.324 113 H CB 0.365 29.865 29.762 -0.437 0.000 1.446 113 H HN 0.512 nan 8.280 nan 0.000 0.537 114 A N 0.603 123.357 122.820 -0.109 0.000 2.572 114 A HA 0.592 4.913 4.320 0.003 0.000 0.295 114 A C -1.160 176.385 177.584 -0.064 0.000 1.072 114 A CA -0.496 51.525 52.037 -0.027 0.000 0.691 114 A CB 1.871 20.908 19.000 0.061 0.000 1.291 114 A HN -0.034 nan 8.150 nan 0.000 0.404 115 V N 0.721 120.615 119.914 -0.034 0.000 2.789 115 V HA 0.726 4.847 4.120 0.003 0.000 0.311 115 V C 0.929 177.005 176.094 -0.030 0.000 1.073 115 V CA 0.014 62.288 62.300 -0.044 0.000 0.921 115 V CB 1.790 33.587 31.823 -0.044 0.000 1.009 115 V HN 1.392 nan 8.190 nan 0.000 0.426 116 G N 1.383 110.160 108.800 -0.038 0.000 2.531 116 G HA2 0.347 4.309 3.960 0.003 0.000 0.253 116 G HA3 0.347 4.309 3.960 0.003 0.000 0.253 116 G C 0.161 175.036 174.900 -0.041 0.000 1.439 116 G CA 0.456 45.535 45.100 -0.035 0.000 1.056 116 G HN 0.822 nan 8.290 nan 0.000 0.555 117 D N -2.549 117.823 120.400 -0.048 0.000 2.424 117 D HA 0.291 4.933 4.640 0.003 0.000 0.220 117 D C 1.340 177.602 176.300 -0.063 0.000 1.150 117 D CA 0.549 54.517 54.000 -0.053 0.000 0.831 117 D CB 0.072 40.840 40.800 -0.054 0.000 0.981 117 D HN 1.090 nan 8.370 nan 0.000 0.500 118 G N 0.167 108.928 108.800 -0.066 0.000 2.213 118 G HA2 -0.229 3.732 3.960 0.003 0.000 0.236 118 G HA3 -0.229 3.732 3.960 0.003 0.000 0.236 118 G C 0.405 175.254 174.900 -0.085 0.000 0.991 118 G CA 0.270 45.323 45.100 -0.078 0.000 0.629 118 G HN 0.833 nan 8.290 nan 0.000 0.517 119 T N -1.780 112.725 114.554 -0.080 0.000 2.855 119 T HA 0.717 5.069 4.350 0.003 0.000 0.281 119 T C 1.289 175.952 174.700 -0.062 0.000 1.007 119 T CA 0.667 62.716 62.100 -0.084 0.000 1.009 119 T CB 1.905 70.706 68.868 -0.112 0.000 0.983 119 T HN 0.241 nan 8.240 nan 0.000 0.455 120 S N 1.746 117.422 115.700 -0.040 0.000 2.382 120 S HA -0.136 4.336 4.470 0.003 0.000 0.228 120 S C 1.995 176.571 174.600 -0.041 0.000 1.027 120 S CA 1.437 59.623 58.200 -0.024 0.000 0.991 120 S CB -0.383 62.824 63.200 0.011 0.000 0.823 120 S HN 0.932 nan 8.310 nan 0.000 0.469 121 K N 1.909 122.273 120.400 -0.061 0.000 2.209 121 K HA -0.073 4.248 4.320 0.003 0.000 0.204 121 K C 2.001 178.568 176.600 -0.055 0.000 1.048 121 K CA 1.620 57.868 56.287 -0.065 0.000 0.940 121 K CB -0.595 31.846 32.500 -0.098 0.000 0.729 121 K HN 0.427 nan 8.250 nan 0.000 0.451 122 S N 1.241 116.907 115.700 -0.057 0.000 2.474 122 S HA -0.024 4.447 4.470 0.003 0.000 0.235 122 S C 1.885 176.468 174.600 -0.029 0.000 0.997 122 S CA 0.502 58.675 58.200 -0.045 0.000 0.949 122 S CB -0.478 62.693 63.200 -0.050 0.000 0.766 122 S HN 0.329 nan 8.310 nan 0.000 0.517 123 L N -0.157 121.049 121.223 -0.028 0.000 2.313 123 L HA 0.079 4.420 4.340 0.003 0.000 0.214 123 L C 2.190 179.057 176.870 -0.004 0.000 1.119 123 L CA 0.138 54.969 54.840 -0.015 0.000 0.809 123 L CB -0.567 41.476 42.059 -0.027 0.000 0.933 123 L HN 0.267 nan 8.230 nan 0.000 0.449 124 L N 0.796 122.012 121.223 -0.012 0.000 1.978 124 L HA -0.196 4.146 4.340 0.003 0.000 0.218 124 L C -0.148 176.725 176.870 0.005 0.000 1.075 124 L CA 2.485 57.322 54.840 -0.005 0.000 0.767 124 L CB -1.997 40.054 42.059 -0.013 0.000 0.890 124 L HN 0.156 nan 8.230 nan 0.000 0.434 125 P HA -0.129 nan 4.420 nan 0.000 0.219 125 P C 1.701 179.015 177.300 0.023 0.000 1.146 125 P CA 1.222 64.327 63.100 0.008 0.000 0.808 125 P CB 0.017 31.718 31.700 0.001 0.000 0.779 126 L N -2.235 119.011 121.223 0.039 0.000 2.567 126 L HA 0.104 4.445 4.340 0.003 0.000 0.225 126 L C 0.864 177.799 176.870 0.109 0.000 1.119 126 L CA -0.230 54.660 54.840 0.083 0.000 0.871 126 L CB -0.472 41.645 42.059 0.097 0.000 1.036 126 L HN -0.057 nan 8.230 nan 0.000 0.459 127 L N 1.546 122.804 121.223 0.058 0.000 2.455 127 L HA 0.150 4.492 4.340 0.003 0.000 0.272 127 L C -1.898 174.968 176.870 -0.007 0.000 1.174 127 L CA -1.616 53.245 54.840 0.036 0.000 0.869 127 L CB -0.025 42.044 42.059 0.016 0.000 1.130 127 L HN -0.162 nan 8.230 nan 0.000 0.474 128 P HA 0.110 nan 4.420 nan 0.000 0.275 128 P C -1.249 176.086 177.300 0.059 0.000 1.270 128 P CA -0.429 62.589 63.100 -0.138 0.000 0.791 128 P CB 0.446 31.947 31.700 -0.332 0.000 1.089 129 Q N -0.091 119.722 119.800 0.022 0.000 2.381 129 Q HA 0.658 5.000 4.340 0.003 0.000 0.263 129 Q C -0.238 175.753 176.000 -0.014 0.000 1.030 129 Q CA -0.488 55.333 55.803 0.029 0.000 0.772 129 Q CB 1.624 30.351 28.738 -0.018 0.000 1.232 129 Q HN 0.653 nan 8.270 nan 0.000 0.476 130 G N 1.488 110.222 108.800 -0.111 0.000 2.441 130 G HA2 0.417 4.378 3.960 0.003 0.000 0.294 130 G HA3 0.417 4.378 3.960 0.003 0.000 0.294 130 G C -1.990 172.518 174.900 -0.654 0.000 1.393 130 G CA -0.926 44.022 45.100 -0.253 0.000 0.796 130 G HN 0.426 nan 8.290 nan 0.000 0.494 131 R N -0.261 119.968 120.500 -0.452 0.000 2.437 131 R HA 0.736 5.078 4.340 0.003 0.000 0.310 131 R C 0.387 176.513 176.300 -0.290 0.000 0.955 131 R CA 0.451 56.277 56.100 -0.457 0.000 0.851 131 R CB 1.434 31.593 30.300 -0.236 0.000 1.161 131 R HN 1.560 nan 8.270 nan 0.000 0.446 132 G N 1.715 110.371 108.800 -0.242 0.000 2.552 132 G HA2 0.200 4.162 3.960 0.003 0.000 0.137 132 G HA3 0.200 4.162 3.960 0.003 0.000 0.137 132 G C -1.749 173.245 174.900 0.157 0.000 1.135 132 G CA -0.241 44.870 45.100 0.017 0.000 1.047 132 G HN 0.427 nan 8.290 nan 0.000 0.501 133 V N 1.002 121.061 119.914 0.240 0.000 2.540 133 V HA 0.775 4.897 4.120 0.003 0.000 0.302 133 V C 0.078 176.312 176.094 0.233 0.000 1.035 133 V CA -0.104 62.323 62.300 0.212 0.000 0.873 133 V CB 1.244 33.144 31.823 0.129 0.000 0.992 133 V HN 1.550 nan 8.190 nan 0.000 0.428 134 A N 3.609 126.528 122.820 0.164 0.000 2.311 134 A HA 0.880 5.201 4.320 0.003 0.000 0.306 134 A C 0.030 177.639 177.584 0.042 0.000 1.189 134 A CA -0.355 51.701 52.037 0.031 0.000 0.791 134 A CB 1.036 19.961 19.000 -0.126 0.000 1.172 134 A HN 1.275 nan 8.150 nan 0.000 0.481 135 A N 2.133 124.999 122.820 0.077 0.000 2.301 135 A HA 0.645 4.967 4.320 0.003 0.000 0.298 135 A C -0.658 176.900 177.584 -0.043 0.000 1.185 135 A CA -0.317 51.781 52.037 0.102 0.000 0.830 135 A CB 0.407 19.577 19.000 0.282 0.000 1.112 135 A HN 1.570 nan 8.150 nan 0.000 0.508 136 L N 2.320 123.513 121.223 -0.050 0.000 2.372 136 L HA 0.327 4.669 4.340 0.003 0.000 0.273 136 L C -0.116 176.708 176.870 -0.077 0.000 0.989 136 L CA -0.191 54.565 54.840 -0.141 0.000 0.841 136 L CB 1.675 43.681 42.059 -0.087 0.000 1.225 136 L HN 0.779 nan 8.230 nan 0.000 0.414 137 Q N 5.338 125.050 119.800 -0.147 0.000 2.293 137 Q HA 0.329 4.671 4.340 0.003 0.000 0.263 137 Q C -1.414 174.600 176.000 0.025 0.000 1.002 137 Q CA 0.048 55.863 55.803 0.020 0.000 0.910 137 Q CB 0.754 29.538 28.738 0.078 0.000 1.185 137 Q HN 0.811 nan 8.270 nan 0.000 0.401 138 L N 4.065 125.315 121.223 0.045 0.000 2.335 138 L HA 0.365 4.707 4.340 0.003 0.000 0.268 138 L C -0.013 176.891 176.870 0.057 0.000 1.016 138 L CA -0.893 53.935 54.840 -0.019 0.000 0.805 138 L CB 0.917 42.914 42.059 -0.102 0.000 1.311 138 L HN 0.717 nan 8.230 nan 0.000 0.456 139 Y N -1.728 118.573 120.300 0.001 0.000 2.719 139 Y HA 0.625 5.180 4.550 0.008 0.000 0.251 139 Y C 0.627 176.507 175.900 -0.034 0.000 1.159 139 Y CA -0.153 57.938 58.100 -0.014 0.000 1.166 139 Y CB 0.433 38.855 38.460 -0.063 0.000 1.219 139 Y HN 0.633 nan 8.280 nan 0.000 0.551 140 G N 0.887 109.636 108.800 -0.086 0.000 2.624 140 G HA2 -0.122 3.840 3.960 0.003 0.000 0.190 140 G HA3 -0.122 3.840 3.960 0.003 0.000 0.190 140 G C -0.187 174.735 174.900 0.036 0.000 1.008 140 G CA -0.206 44.959 45.100 0.109 0.000 0.731 140 G HN 0.482 nan 8.290 nan 0.000 0.478 141 K N 0.105 120.381 120.400 -0.208 0.000 2.508 141 K HA 0.723 5.045 4.320 0.003 0.000 0.260 141 K C -3.440 173.072 176.600 -0.147 0.000 0.949 141 K CA -2.053 54.187 56.287 -0.079 0.000 0.834 141 K CB 2.825 35.328 32.500 0.004 0.000 1.365 141 K HN -0.017 nan 8.250 nan 0.000 0.437 142 P HA 0.126 nan 4.420 nan 0.000 0.272 142 P C -0.914 176.362 177.300 -0.040 0.000 1.223 142 P CA -0.413 62.666 63.100 -0.034 0.000 0.784 142 P CB 0.447 32.153 31.700 0.010 0.000 0.923 143 L N 3.691 124.892 121.223 -0.037 0.000 2.556 143 L HA 0.261 4.603 4.340 0.003 0.000 0.243 143 L C -1.345 175.527 176.870 0.002 0.000 1.331 143 L CA -1.522 53.309 54.840 -0.016 0.000 0.927 143 L CB 1.391 43.431 42.059 -0.031 0.000 1.219 143 L HN 0.307 nan 8.230 nan 0.000 0.490 144 P HA -0.268 nan 4.420 nan 0.000 0.218 144 P C 1.635 178.944 177.300 0.016 0.000 1.154 144 P CA 1.302 64.414 63.100 0.020 0.000 0.872 144 P CB 0.689 32.407 31.700 0.031 0.000 0.790 145 L N -0.951 120.281 121.223 0.015 0.000 2.012 145 L HA -0.149 4.192 4.340 0.003 0.000 0.210 145 L C 2.641 179.512 176.870 0.001 0.000 1.073 145 L CA 1.691 56.535 54.840 0.006 0.000 0.748 145 L CB -1.507 40.551 42.059 -0.002 0.000 0.891 145 L HN -0.108 nan 8.230 nan 0.000 0.431 146 L N -0.773 120.448 121.223 -0.004 0.000 2.072 146 L HA -0.124 4.218 4.340 0.003 0.000 0.205 146 L C 2.338 179.204 176.870 -0.006 0.000 1.079 146 L CA 1.605 56.439 54.840 -0.010 0.000 0.752 146 L CB -0.662 41.386 42.059 -0.018 0.000 0.906 146 L HN 0.343 nan 8.230 nan 0.000 0.436 147 E N -0.445 119.754 120.200 -0.003 0.000 2.058 147 E HA -0.260 4.092 4.350 0.003 0.000 0.194 147 E C 2.022 178.633 176.600 0.019 0.000 0.997 147 E CA 1.556 57.959 56.400 0.005 0.000 0.801 147 E CB -0.308 29.396 29.700 0.007 0.000 0.746 147 E HN 0.608 nan 8.360 nan 0.000 0.450 148 N N -0.102 118.609 118.700 0.019 0.000 2.244 148 N HA -0.122 4.620 4.740 0.003 0.000 0.183 148 N C 1.826 177.354 175.510 0.029 0.000 1.016 148 N CA 0.680 53.744 53.050 0.024 0.000 0.866 148 N CB 0.037 38.536 38.487 0.019 0.000 0.980 148 N HN 0.088 nan 8.380 nan 0.000 0.430 149 A N 1.209 124.043 122.820 0.023 0.000 1.933 149 A HA -0.084 4.238 4.320 0.003 0.000 0.218 149 A C 2.167 179.782 177.584 0.052 0.000 1.175 149 A CA 0.824 52.878 52.037 0.028 0.000 0.628 149 A CB -0.550 18.458 19.000 0.013 0.000 0.814 149 A HN 0.244 nan 8.150 nan 0.000 0.444 150 L N -0.894 120.357 121.223 0.047 0.000 2.027 150 L HA -0.182 4.160 4.340 0.003 0.000 0.206 150 L C 3.123 180.095 176.870 0.169 0.000 1.074 150 L CA 1.099 55.986 54.840 0.078 0.000 0.745 150 L CB -0.539 41.531 42.059 0.018 0.000 0.898 150 L HN 0.434 nan 8.230 nan 0.000 0.433 151 A N 0.497 123.381 122.820 0.107 0.000 1.902 151 A HA -0.260 4.061 4.320 0.003 0.000 0.217 151 A C 2.164 179.795 177.584 0.078 0.000 1.181 151 A CA 1.841 53.936 52.037 0.096 0.000 0.623 151 A CB -0.555 18.480 19.000 0.058 0.000 0.818 151 A HN 0.526 nan 8.150 nan 0.000 0.443 152 E N -0.295 119.943 120.200 0.065 0.000 2.209 152 E HA -0.191 4.161 4.350 0.003 0.000 0.196 152 E C 1.739 178.371 176.600 0.054 0.000 0.993 152 E CA 1.204 57.631 56.400 0.045 0.000 0.819 152 E CB -0.143 29.578 29.700 0.035 0.000 0.745 152 E HN 0.339 nan 8.360 nan 0.000 0.477 153 R N -0.295 120.273 120.500 0.112 0.000 2.313 153 R HA 0.139 4.481 4.340 0.003 0.000 0.199 153 R C 1.036 177.349 176.300 0.022 0.000 0.958 153 R CA 0.796 56.980 56.100 0.139 0.000 1.047 153 R CB 0.018 30.505 30.300 0.312 0.000 0.955 153 R HN 0.422 nan 8.270 nan 0.000 0.481 154 G N 0.227 109.022 108.800 -0.008 0.000 2.130 154 G HA2 -0.264 3.698 3.960 0.003 0.000 0.216 154 G HA3 -0.264 3.698 3.960 0.003 0.000 0.216 154 G C -0.497 174.236 174.900 -0.278 0.000 0.999 154 G CA -0.286 44.718 45.100 -0.161 0.000 0.686 154 G HN 0.275 nan 8.290 nan 0.000 0.515 155 Y N -0.612 119.693 120.300 0.008 0.000 2.446 155 Y HA 0.663 5.214 4.550 0.001 0.000 0.338 155 Y C 0.810 176.719 175.900 0.016 0.000 1.055 155 Y CA -1.167 56.942 58.100 0.015 0.000 1.101 155 Y CB 1.176 39.650 38.460 0.024 0.000 1.221 155 Y HN 0.169 nan 8.280 nan 0.000 0.460 156 R N 2.166 122.769 120.500 0.171 0.000 2.220 156 R HA 0.428 4.770 4.340 0.003 0.000 0.340 156 R C -1.453 174.916 176.300 0.115 0.000 1.076 156 R CA -0.327 55.837 56.100 0.106 0.000 0.920 156 R CB 0.081 30.425 30.300 0.073 0.000 1.062 156 R HN 0.586 nan 8.270 nan 0.000 0.469 157 V N 6.516 126.485 119.914 0.091 0.000 2.529 157 V HA 0.011 4.133 4.120 0.003 0.000 0.292 157 V C 0.079 176.206 176.094 0.054 0.000 1.028 157 V CA -0.069 62.271 62.300 0.066 0.000 1.074 157 V CB 0.820 32.671 31.823 0.047 0.000 0.958 157 V HN 0.592 nan 8.190 nan 0.000 0.481 158 L N 9.642 130.897 121.223 0.053 0.000 2.337 158 L HA 0.561 4.903 4.340 0.003 0.000 0.269 158 L C -2.175 174.725 176.870 0.052 0.000 1.018 158 L CA -1.829 53.043 54.840 0.053 0.000 0.876 158 L CB 1.488 43.584 42.059 0.062 0.000 1.236 158 L HN 0.406 nan 8.230 nan 0.000 0.436 159 P HA 0.125 nan 4.420 nan 0.000 0.271 159 P C -1.042 176.316 177.300 0.095 0.000 1.216 159 P CA 0.026 63.158 63.100 0.053 0.000 0.771 159 P CB 0.996 32.722 31.700 0.043 0.000 0.864 160 L N 4.275 125.573 121.223 0.126 0.000 2.417 160 L HA 0.507 4.848 4.340 0.003 0.000 0.259 160 L C 0.216 177.246 176.870 0.268 0.000 1.023 160 L CA -0.111 54.876 54.840 0.245 0.000 0.901 160 L CB 0.935 43.141 42.059 0.245 0.000 1.227 160 L HN 0.340 nan 8.230 nan 0.000 0.454 161 M N 5.179 124.931 119.600 0.253 0.000 2.106 161 M HA 0.377 4.858 4.480 0.003 0.000 0.288 161 M C -1.937 174.174 176.300 -0.315 0.000 0.941 161 M CA -1.534 53.778 55.300 0.019 0.000 0.934 161 M CB 2.674 35.290 32.600 0.026 0.000 1.551 161 M HN 0.052 nan 8.290 nan 0.000 0.437 162 P HA -0.048 nan 4.420 nan 0.000 0.217 162 P C -0.651 176.111 177.300 -0.896 0.000 1.151 162 P CA 1.370 63.623 63.100 -1.411 0.000 0.828 162 P CB 0.250 31.152 31.700 -1.330 0.000 0.788 163 Y N -1.336 118.854 120.300 -0.184 0.000 2.536 163 Y HA 0.579 5.129 4.550 -0.000 0.000 0.347 163 Y C 0.658 176.560 175.900 0.004 0.000 1.000 163 Y CA -1.141 56.910 58.100 -0.081 0.000 1.051 163 Y CB 1.814 40.236 38.460 -0.063 0.000 1.259 163 Y HN -0.317 nan 8.280 nan 0.000 0.468 164 R N 1.288 121.885 120.500 0.162 0.000 2.439 164 R HA 0.465 4.807 4.340 0.003 0.000 0.310 164 R C -1.656 174.721 176.300 0.128 0.000 0.955 164 R CA -0.751 55.445 56.100 0.159 0.000 0.853 164 R CB 0.561 30.918 30.300 0.095 0.000 1.171 164 R HN 0.781 nan 8.270 nan 0.000 0.449 165 H N 3.204 122.376 119.070 0.170 0.000 2.487 165 H HA 0.310 4.866 4.556 0.001 0.000 0.333 165 H C -0.425 175.065 175.328 0.270 0.000 1.114 165 H CA -0.194 56.002 56.048 0.246 0.000 1.310 165 H CB 1.278 31.225 29.762 0.307 0.000 1.462 165 H HN 0.297 nan 8.280 nan 0.000 0.516 166 L N 5.679 127.046 121.223 0.241 0.000 2.280 166 L HA 0.349 4.691 4.340 0.003 0.000 0.287 166 L C -2.265 174.447 176.870 -0.264 0.000 1.023 166 L CA -2.062 52.770 54.840 -0.013 0.000 0.819 166 L CB 1.465 43.513 42.059 -0.019 0.000 1.212 166 L HN 0.437 nan 8.230 nan 0.000 0.420 167 P HA 0.066 nan 4.420 nan 0.000 0.277 167 P C -1.129 175.962 177.300 -0.348 0.000 1.240 167 P CA -0.369 62.190 63.100 -0.903 0.000 0.798 167 P CB 1.490 32.426 31.700 -1.274 0.000 0.979 168 D N 2.623 122.898 120.400 -0.209 0.000 2.485 168 D HA 0.220 4.861 4.640 0.003 0.000 0.229 168 D C -1.717 174.524 176.300 -0.099 0.000 1.101 168 D CA -2.504 51.430 54.000 -0.111 0.000 0.906 168 D CB 0.571 41.341 40.800 -0.051 0.000 1.019 168 D HN 0.007 nan 8.370 nan 0.000 0.516 169 P HA -0.189 nan 4.420 nan 0.000 0.216 169 P C 0.897 178.161 177.300 -0.059 0.000 1.157 169 P CA 1.313 64.363 63.100 -0.085 0.000 0.880 169 P CB 0.508 32.163 31.700 -0.075 0.000 0.791 170 E N -0.662 119.512 120.200 -0.044 0.000 2.058 170 E HA -0.134 4.218 4.350 0.003 0.000 0.194 170 E C 2.341 178.933 176.600 -0.013 0.000 0.997 170 E CA 1.808 58.193 56.400 -0.026 0.000 0.801 170 E CB -1.635 28.055 29.700 -0.018 0.000 0.746 170 E HN 0.267 nan 8.360 nan 0.000 0.450 171 G N 0.434 109.229 108.800 -0.008 0.000 2.408 171 G HA2 -0.198 3.764 3.960 0.003 0.000 0.217 171 G HA3 -0.198 3.764 3.960 0.003 0.000 0.217 171 G C 1.657 176.557 174.900 0.001 0.000 1.150 171 G CA 0.660 45.774 45.100 0.023 0.000 0.776 171 G HN 0.190 nan 8.290 nan 0.000 0.542 172 I N 0.357 120.903 120.570 -0.039 0.000 2.226 172 I HA -0.118 4.054 4.170 0.003 0.000 0.245 172 I C 2.503 178.557 176.117 -0.104 0.000 1.100 172 I CA 0.470 61.725 61.300 -0.075 0.000 1.374 172 I CB -0.089 37.860 38.000 -0.084 0.000 1.057 172 I HN 0.074 nan 8.210 nan 0.000 0.413 173 L N 0.438 121.612 121.223 -0.081 0.000 2.109 173 L HA -0.126 4.216 4.340 0.003 0.000 0.207 173 L C 2.639 179.453 176.870 -0.094 0.000 1.086 173 L CA 1.667 56.454 54.840 -0.088 0.000 0.760 173 L CB -1.119 40.904 42.059 -0.060 0.000 0.910 173 L HN 0.263 nan 8.230 nan 0.000 0.437 174 R N -0.712 119.757 120.500 -0.052 0.000 2.081 174 R HA -0.197 4.144 4.340 0.003 0.000 0.235 174 R C 2.075 178.231 176.300 -0.241 0.000 1.131 174 R CA 1.038 57.119 56.100 -0.031 0.000 0.960 174 R CB -0.424 29.956 30.300 0.133 0.000 0.856 174 R HN 0.168 nan 8.270 nan 0.000 0.436 175 L N 1.549 122.590 121.223 -0.304 0.000 2.017 175 L HA -0.168 4.173 4.340 0.003 0.000 0.208 175 L C 2.198 178.783 176.870 -0.475 0.000 1.073 175 L CA 1.894 56.355 54.840 -0.633 0.000 0.745 175 L CB -0.632 41.213 42.059 -0.358 0.000 0.894 175 L HN 0.171 nan 8.230 nan 0.000 0.432 176 E N -0.632 119.387 120.200 -0.302 0.000 2.077 176 E HA -0.286 4.065 4.350 0.003 0.000 0.193 176 E C 2.051 178.521 176.600 -0.216 0.000 0.989 176 E CA 1.430 57.679 56.400 -0.251 0.000 0.800 176 E CB -0.140 29.437 29.700 -0.206 0.000 0.746 176 E HN 0.662 nan 8.360 nan 0.000 0.452 177 E N 0.035 120.121 120.200 -0.191 0.000 2.049 177 E HA -0.254 4.098 4.350 0.003 0.000 0.198 177 E C 1.995 178.497 176.600 -0.163 0.000 1.007 177 E CA 1.486 57.802 56.400 -0.140 0.000 0.809 177 E CB -0.215 29.424 29.700 -0.101 0.000 0.749 177 E HN 0.403 nan 8.360 nan 0.000 0.450 178 A N 0.590 123.253 122.820 -0.261 0.000 1.908 178 A HA -0.208 4.114 4.320 0.003 0.000 0.218 178 A C 2.183 179.637 177.584 -0.216 0.000 1.181 178 A CA 1.382 53.258 52.037 -0.268 0.000 0.627 178 A CB -0.744 17.912 19.000 -0.574 0.000 0.818 178 A HN 0.225 nan 8.150 nan 0.000 0.445 179 L N -0.722 120.346 121.223 -0.258 0.000 2.017 179 L HA -0.156 4.186 4.340 0.003 0.000 0.208 179 L C 2.468 179.271 176.870 -0.112 0.000 1.073 179 L CA 1.035 55.768 54.840 -0.178 0.000 0.745 179 L CB -0.501 41.443 42.059 -0.191 0.000 0.894 179 L HN 0.355 nan 8.230 nan 0.000 0.432 180 L N -0.670 120.488 121.223 -0.109 0.000 2.291 180 L HA -0.126 4.215 4.340 0.003 0.000 0.214 180 L C 2.484 179.322 176.870 -0.053 0.000 1.120 180 L CA 0.885 55.683 54.840 -0.070 0.000 0.799 180 L CB -0.411 41.607 42.059 -0.068 0.000 0.925 180 L HN 0.266 nan 8.230 nan 0.000 0.446 181 R N -0.018 120.446 120.500 -0.061 0.000 2.297 181 R HA 0.047 4.389 4.340 0.003 0.000 0.197 181 R C 1.045 177.328 176.300 -0.029 0.000 0.943 181 R CA 0.564 56.640 56.100 -0.041 0.000 1.038 181 R CB 0.208 30.483 30.300 -0.041 0.000 0.957 181 R HN 0.405 nan 8.270 nan 0.000 0.484 182 G N 1.434 110.212 108.800 -0.036 0.000 2.176 182 G HA2 -0.271 3.691 3.960 0.003 0.000 0.252 182 G HA3 -0.271 3.691 3.960 0.003 0.000 0.252 182 G C 0.148 175.042 174.900 -0.011 0.000 1.024 182 G CA 0.437 45.523 45.100 -0.023 0.000 0.755 182 G HN 0.507 nan 8.290 nan 0.000 0.507 183 E N -1.159 119.033 120.200 -0.013 0.000 2.474 183 E HA 0.318 4.670 4.350 0.003 0.000 0.195 183 E C 0.472 177.093 176.600 0.034 0.000 1.039 183 E CA 0.182 56.594 56.400 0.020 0.000 0.881 183 E CB 1.051 30.778 29.700 0.044 0.000 0.970 183 E HN 0.379 nan 8.360 nan 0.000 0.486 184 V N 1.286 121.199 119.914 -0.003 0.000 2.735 184 V HA 0.130 4.251 4.120 0.003 0.000 0.310 184 V C 0.028 176.110 176.094 -0.020 0.000 1.061 184 V CA -0.662 61.636 62.300 -0.002 0.000 0.913 184 V CB 2.153 33.949 31.823 -0.045 0.000 1.005 184 V HN -0.003 nan 8.190 nan 0.000 0.428 185 D N 1.896 122.284 120.400 -0.020 0.000 2.422 185 D HA 0.407 5.048 4.640 0.003 0.000 0.218 185 D C 0.454 176.714 176.300 -0.067 0.000 1.047 185 D CA 0.897 54.877 54.000 -0.033 0.000 0.885 185 D CB 1.557 42.349 40.800 -0.013 0.000 1.035 185 D HN 0.669 nan 8.370 nan 0.000 0.502 186 A N 0.530 123.289 122.820 -0.102 0.000 2.574 186 A HA 0.601 4.923 4.320 0.003 0.000 0.297 186 A C -2.028 175.449 177.584 -0.179 0.000 1.062 186 A CA -0.569 51.353 52.037 -0.193 0.000 0.686 186 A CB 1.830 20.583 19.000 -0.412 0.000 1.285 186 A HN 0.042 nan 8.150 nan 0.000 0.403 187 L N 1.456 122.564 121.223 -0.191 0.000 2.406 187 L HA 0.832 5.173 4.340 0.003 0.000 0.272 187 L C -0.143 176.533 176.870 -0.324 0.000 0.980 187 L CA -0.182 54.496 54.840 -0.269 0.000 0.831 187 L CB 1.502 43.385 42.059 -0.293 0.000 1.253 187 L HN 1.195 nan 8.230 nan 0.000 0.406 188 A N 4.784 127.392 122.820 -0.353 0.000 2.276 188 A HA 0.762 5.084 4.320 0.003 0.000 0.316 188 A C -1.269 176.067 177.584 -0.412 0.000 1.229 188 A CA -0.239 51.667 52.037 -0.219 0.000 0.851 188 A CB 0.089 19.095 19.000 0.008 0.000 1.165 188 A HN 0.560 nan 8.150 nan 0.000 0.513 189 F N 2.072 121.979 119.950 -0.071 0.000 2.444 189 F HA 0.386 4.913 4.527 0.001 0.000 0.342 189 F C 1.303 177.062 175.800 -0.069 0.000 1.121 189 F CA -0.498 57.434 58.000 -0.112 0.000 0.997 189 F CB 2.142 41.100 39.000 -0.070 0.000 1.130 189 F HN 0.436 nan 8.300 nan 0.000 0.454 190 V N 0.296 120.239 119.914 0.049 0.000 3.174 190 V HA 0.572 4.694 4.120 0.003 0.000 0.254 190 V C 0.610 176.730 176.094 0.042 0.000 1.120 190 V CA 0.746 63.087 62.300 0.069 0.000 1.114 190 V CB -0.337 31.529 31.823 0.071 0.000 0.756 190 V HN 0.665 nan 8.190 nan 0.000 0.467 191 A N -0.875 121.958 122.820 0.021 0.000 2.498 191 A HA 0.893 5.214 4.320 0.003 0.000 0.298 191 A C 0.955 178.494 177.584 -0.076 0.000 1.075 191 A CA -0.040 51.972 52.037 -0.041 0.000 0.714 191 A CB 1.574 20.533 19.000 -0.069 0.000 1.299 191 A HN 0.732 nan 8.150 nan 0.000 0.407 192 A N 1.025 123.758 122.820 -0.146 0.000 1.972 192 A HA -0.084 4.238 4.320 0.003 0.000 0.219 192 A C 1.795 179.275 177.584 -0.172 0.000 1.169 192 A CA 1.831 53.764 52.037 -0.174 0.000 0.635 192 A CB -0.685 18.170 19.000 -0.242 0.000 0.810 192 A HN 1.150 nan 8.150 nan 0.000 0.446 193 I N -0.568 119.869 120.570 -0.221 0.000 2.454 193 I HA -0.318 3.854 4.170 0.003 0.000 0.254 193 I C 2.445 178.286 176.117 -0.459 0.000 1.156 193 I CA 1.500 62.569 61.300 -0.384 0.000 1.433 193 I CB -0.115 37.557 38.000 -0.547 0.000 1.082 193 I HN 0.449 nan 8.210 nan 0.000 0.432 194 Q N -0.517 119.170 119.800 -0.187 0.000 2.119 194 Q HA -0.152 4.190 4.340 0.003 0.000 0.201 194 Q C 2.238 178.302 176.000 0.106 0.000 0.972 194 Q CA 1.633 57.451 55.803 0.025 0.000 0.847 194 Q CB -0.029 28.788 28.738 0.131 0.000 0.903 194 Q HN 0.419 nan 8.270 nan 0.000 0.433 195 V N 1.264 121.143 119.914 -0.059 0.000 2.358 195 V HA -0.246 3.876 4.120 0.003 0.000 0.246 195 V C 1.826 177.867 176.094 -0.088 0.000 1.047 195 V CA 1.923 64.063 62.300 -0.268 0.000 1.035 195 V CB -0.429 31.134 31.823 -0.434 0.000 0.658 195 V HN 0.355 nan 8.190 nan 0.000 0.452 196 E N -0.447 119.718 120.200 -0.059 0.000 2.072 196 E HA -0.150 4.201 4.350 0.003 0.000 0.191 196 E C 2.152 178.806 176.600 0.090 0.000 0.985 196 E CA 1.266 57.682 56.400 0.027 0.000 0.801 196 E CB -0.221 29.536 29.700 0.095 0.000 0.750 196 E HN 0.618 nan 8.360 nan 0.000 0.452 197 F N 0.494 120.437 119.950 -0.011 0.000 2.186 197 F HA -0.182 4.350 4.527 0.008 0.000 0.299 197 F C 2.380 178.121 175.800 -0.098 0.000 1.090 197 F CA -0.118 57.865 58.000 -0.029 0.000 1.307 197 F CB 0.004 39.004 39.000 0.000 0.000 1.019 197 F HN 0.107 nan 8.300 nan 0.000 0.489 198 L N -0.016 121.251 121.223 0.074 0.000 1.994 198 L HA -0.211 4.130 4.340 0.003 0.000 0.208 198 L C 1.928 178.586 176.870 -0.354 0.000 1.071 198 L CA 1.968 56.733 54.840 -0.125 0.000 0.745 198 L CB -1.171 40.824 42.059 -0.107 0.000 0.892 198 L HN -0.020 nan 8.230 nan 0.000 0.431 199 F N 0.149 119.794 119.950 -0.509 0.000 2.234 199 F HA -0.101 4.427 4.527 0.001 0.000 0.299 199 F C 2.471 177.854 175.800 -0.695 0.000 1.087 199 F CA 1.437 58.919 58.000 -0.863 0.000 1.340 199 F CB -0.249 37.563 39.000 -1.981 0.000 1.031 199 F HN 0.206 nan 8.300 nan 0.000 0.500 200 E N -0.667 119.361 120.200 -0.286 0.000 2.274 200 E HA -0.073 4.278 4.350 0.003 0.000 0.194 200 E C 2.281 178.866 176.600 -0.026 0.000 0.996 200 E CA 0.808 57.187 56.400 -0.036 0.000 0.840 200 E CB -0.268 29.509 29.700 0.127 0.000 0.772 200 E HN 0.424 nan 8.360 nan 0.000 0.491 201 G N 0.455 109.210 108.800 -0.075 0.000 3.020 201 G HA2 0.286 4.248 3.960 0.003 0.000 0.217 201 G HA3 0.286 4.248 3.960 0.003 0.000 0.217 201 G C 0.464 175.303 174.900 -0.102 0.000 1.144 201 G CA 0.222 45.276 45.100 -0.076 0.000 0.760 201 G HN 0.231 nan 8.290 nan 0.000 0.548 202 A N 0.284 123.013 122.820 -0.152 0.000 2.406 202 A HA 0.501 4.823 4.320 0.003 0.000 0.243 202 A C 1.200 178.731 177.584 -0.089 0.000 1.082 202 A CA 0.027 51.965 52.037 -0.164 0.000 0.786 202 A CB 0.574 19.413 19.000 -0.268 0.000 1.029 202 A HN 0.224 nan 8.150 nan 0.000 0.495 203 K N -0.568 119.785 120.400 -0.079 0.000 2.308 203 K HA 0.044 4.365 4.320 0.003 0.000 0.197 203 K C -0.460 176.126 176.600 -0.023 0.000 1.049 203 K CA 0.541 56.803 56.287 -0.041 0.000 0.991 203 K CB 0.439 32.914 32.500 -0.042 0.000 0.836 203 K HN 0.686 nan 8.250 nan 0.000 0.500 204 D N 0.637 121.015 120.400 -0.038 0.000 2.468 204 D HA 0.109 4.750 4.640 0.003 0.000 0.272 204 D C -2.011 174.288 176.300 -0.000 0.000 1.221 204 D CA -1.950 52.046 54.000 -0.008 0.000 0.860 204 D CB 1.245 42.036 40.800 -0.015 0.000 1.190 204 D HN -0.119 nan 8.370 nan 0.000 0.509 205 P HA -0.151 nan 4.420 nan 0.000 0.219 205 P C 1.309 178.748 177.300 0.231 0.000 1.146 205 P CA 0.539 63.730 63.100 0.153 0.000 0.808 205 P CB 0.719 32.599 31.700 0.301 0.000 0.779 206 K N -0.176 120.320 120.400 0.159 0.000 2.167 206 K HA 0.066 4.388 4.320 0.003 0.000 0.203 206 K C 2.138 178.801 176.600 0.105 0.000 1.052 206 K CA 1.012 57.386 56.287 0.145 0.000 0.956 206 K CB -0.430 32.133 32.500 0.105 0.000 0.735 206 K HN 0.009 nan 8.250 nan 0.000 0.451 207 A N 1.214 124.070 122.820 0.061 0.000 1.930 207 A HA -0.137 4.184 4.320 0.003 0.000 0.217 207 A C 2.059 179.661 177.584 0.030 0.000 1.175 207 A CA 0.936 52.993 52.037 0.033 0.000 0.627 207 A CB -0.393 18.609 19.000 0.003 0.000 0.815 207 A HN 0.251 nan 8.150 nan 0.000 0.443 208 L N 0.131 121.363 121.223 0.015 0.000 2.017 208 L HA -0.112 4.229 4.340 0.003 0.000 0.208 208 L C 2.421 179.367 176.870 0.127 0.000 1.073 208 L CA 2.489 57.308 54.840 -0.035 0.000 0.745 208 L CB -0.701 41.200 42.059 -0.263 0.000 0.894 208 L HN 0.480 nan 8.230 nan 0.000 0.432 209 R N -0.447 120.228 120.500 0.292 0.000 2.091 209 R HA -0.236 4.106 4.340 0.003 0.000 0.238 209 R C 2.344 178.749 176.300 0.175 0.000 1.136 209 R CA 1.919 58.213 56.100 0.323 0.000 0.959 209 R CB -0.406 30.062 30.300 0.280 0.000 0.856 209 R HN 0.645 nan 8.270 nan 0.000 0.437 210 E N -0.176 120.098 120.200 0.122 0.000 2.051 210 E HA -0.214 4.137 4.350 0.003 0.000 0.192 210 E C 1.813 178.455 176.600 0.070 0.000 0.991 210 E CA 1.299 57.749 56.400 0.082 0.000 0.799 210 E CB -0.154 29.582 29.700 0.060 0.000 0.748 210 E HN 0.489 nan 8.360 nan 0.000 0.449 211 A N 1.149 124.003 122.820 0.057 0.000 1.883 211 A HA -0.158 4.164 4.320 0.003 0.000 0.217 211 A C 2.180 179.797 177.584 0.055 0.000 1.186 211 A CA 1.298 53.356 52.037 0.035 0.000 0.624 211 A CB -0.728 18.273 19.000 0.002 0.000 0.822 211 A HN 0.344 nan 8.150 nan 0.000 0.444 212 L N -0.165 121.114 121.223 0.093 0.000 2.551 212 L HA -0.050 4.291 4.340 0.003 0.000 0.228 212 L C 1.348 178.294 176.870 0.126 0.000 1.153 212 L CA 0.361 55.276 54.840 0.125 0.000 0.851 212 L CB -0.336 41.844 42.059 0.202 0.000 0.959 212 L HN 0.361 nan 8.230 nan 0.000 0.451 213 N N -1.391 117.374 118.700 0.108 0.000 2.220 213 N HA 0.019 4.761 4.740 0.003 0.000 0.195 213 N C 1.349 176.911 175.510 0.088 0.000 1.123 213 N CA 1.082 54.193 53.050 0.102 0.000 0.874 213 N CB 0.749 39.290 38.487 0.089 0.000 0.995 213 N HN 0.402 nan 8.380 nan 0.000 0.498 214 T N -2.753 111.842 114.554 0.069 0.000 3.469 214 T HA 0.215 4.567 4.350 0.003 0.000 0.242 214 T C 1.543 176.262 174.700 0.032 0.000 0.994 214 T CA -0.262 61.870 62.100 0.053 0.000 1.152 214 T CB 0.535 69.429 68.868 0.044 0.000 1.205 214 T HN -0.158 nan 8.240 nan 0.000 0.372 215 R N 1.149 121.662 120.500 0.021 0.000 2.153 215 R HA 0.319 4.661 4.340 0.003 0.000 0.218 215 R C 0.177 176.470 176.300 -0.012 0.000 1.072 215 R CA 0.504 56.606 56.100 0.003 0.000 0.990 215 R CB -0.219 30.081 30.300 0.001 0.000 0.889 215 R HN 0.354 nan 8.270 nan 0.000 0.452 216 V N 2.417 122.329 119.914 -0.003 0.000 2.448 216 V HA 0.235 4.356 4.120 0.003 0.000 0.295 216 V C -0.169 175.922 176.094 -0.005 0.000 1.025 216 V CA -0.951 61.337 62.300 -0.019 0.000 0.859 216 V CB 2.141 33.954 31.823 -0.016 0.000 0.988 216 V HN 0.023 nan 8.190 nan 0.000 0.431 217 K N 3.496 123.858 120.400 -0.063 0.000 2.316 217 K HA 0.628 4.950 4.320 0.003 0.000 0.289 217 K C 0.142 176.761 176.600 0.032 0.000 1.070 217 K CA -0.095 56.164 56.287 -0.047 0.000 0.928 217 K CB 1.306 33.617 32.500 -0.315 0.000 1.039 217 K HN 0.832 nan 8.250 nan 0.000 0.480 218 A N 5.016 127.940 122.820 0.173 0.000 2.362 218 A HA 0.366 4.687 4.320 0.003 0.000 0.276 218 A C -0.294 177.434 177.584 0.239 0.000 1.153 218 A CA -0.566 51.612 52.037 0.234 0.000 0.813 218 A CB 0.046 19.218 19.000 0.287 0.000 1.081 218 A HN 0.689 nan 8.150 nan 0.000 0.507 219 L N 2.187 123.522 121.223 0.187 0.000 2.322 219 L HA 0.725 5.067 4.340 0.003 0.000 0.281 219 L C 0.282 177.296 176.870 0.239 0.000 1.014 219 L CA -0.505 54.445 54.840 0.183 0.000 0.815 219 L CB 1.875 43.937 42.059 0.006 0.000 1.247 219 L HN 0.731 nan 8.230 nan 0.000 0.421 220 A N 3.051 125.986 122.820 0.192 0.000 2.343 220 A HA 0.699 5.020 4.320 0.003 0.000 0.316 220 A C -0.639 177.005 177.584 0.100 0.000 1.104 220 A CA -0.501 51.623 52.037 0.146 0.000 0.768 220 A CB 1.682 20.720 19.000 0.064 0.000 1.213 220 A HN 0.409 nan 8.150 nan 0.000 0.456 221 V N 2.653 122.631 119.914 0.107 0.000 2.353 221 V HA 0.604 4.726 4.120 0.003 0.000 0.264 221 V C 0.860 176.973 176.094 0.032 0.000 1.049 221 V CA 1.086 63.437 62.300 0.085 0.000 0.896 221 V CB -0.197 31.692 31.823 0.111 0.000 1.025 221 V HN 1.958 nan 8.190 nan 0.000 0.475 222 G N 4.994 113.795 108.800 0.002 0.000 2.712 222 G HA2 -0.152 3.810 3.960 0.003 0.000 0.686 222 G HA3 -0.152 3.810 3.960 0.003 0.000 0.686 222 G C 0.163 175.033 174.900 -0.050 0.000 1.181 222 G CA -0.355 44.729 45.100 -0.026 0.000 0.762 222 G HN 0.590 nan 8.290 nan 0.000 0.641 223 R N 0.404 120.868 120.500 -0.061 0.000 2.148 223 R HA 0.005 4.346 4.340 0.003 0.000 0.227 223 R C 2.616 178.866 176.300 -0.083 0.000 1.103 223 R CA 1.591 57.648 56.100 -0.072 0.000 0.983 223 R CB -0.176 30.083 30.300 -0.068 0.000 0.874 223 R HN 0.446 nan 8.270 nan 0.000 0.451 224 V N 0.132 119.990 119.914 -0.093 0.000 2.453 224 V HA -0.191 3.930 4.120 0.003 0.000 0.247 224 V C 2.040 178.055 176.094 -0.131 0.000 1.048 224 V CA 1.953 64.177 62.300 -0.127 0.000 1.049 224 V CB -0.376 31.351 31.823 -0.160 0.000 0.672 224 V HN 0.352 nan 8.190 nan 0.000 0.457 225 T N 0.529 115.020 114.554 -0.106 0.000 2.746 225 T HA -0.129 4.223 4.350 0.003 0.000 0.267 225 T C 2.080 176.719 174.700 -0.102 0.000 1.039 225 T CA 1.566 63.606 62.100 -0.099 0.000 1.142 225 T CB -0.362 68.483 68.868 -0.039 0.000 0.866 225 T HN 0.559 nan 8.240 nan 0.000 0.444 226 A N 1.816 124.589 122.820 -0.078 0.000 1.933 226 A HA -0.145 4.176 4.320 0.003 0.000 0.218 226 A C 2.110 179.643 177.584 -0.086 0.000 1.175 226 A CA 1.667 53.660 52.037 -0.073 0.000 0.628 226 A CB -0.627 18.333 19.000 -0.066 0.000 0.814 226 A HN 0.316 nan 8.150 nan 0.000 0.444 227 D N 0.097 120.441 120.400 -0.094 0.000 2.123 227 D HA -0.080 4.562 4.640 0.003 0.000 0.196 227 D C 2.221 178.460 176.300 -0.102 0.000 0.992 227 D CA 1.547 55.488 54.000 -0.098 0.000 0.833 227 D CB -0.374 40.362 40.800 -0.106 0.000 0.954 227 D HN 0.422 nan 8.370 nan 0.000 0.455 228 A N 0.373 123.133 122.820 -0.100 0.000 1.933 228 A HA -0.105 4.217 4.320 0.003 0.000 0.218 228 A C 2.394 179.959 177.584 -0.032 0.000 1.175 228 A CA 0.814 52.820 52.037 -0.052 0.000 0.628 228 A CB -0.685 18.277 19.000 -0.063 0.000 0.814 228 A HN 0.212 nan 8.150 nan 0.000 0.444 229 L N -1.143 120.014 121.223 -0.110 0.000 2.017 229 L HA -0.176 4.165 4.340 0.003 0.000 0.208 229 L C 2.892 179.706 176.870 -0.094 0.000 1.073 229 L CA 1.433 56.200 54.840 -0.122 0.000 0.745 229 L CB -0.423 41.566 42.059 -0.117 0.000 0.894 229 L HN 0.352 nan 8.230 nan 0.000 0.432 230 R N -0.268 120.179 120.500 -0.089 0.000 2.092 230 R HA -0.198 4.143 4.340 0.003 0.000 0.231 230 R C 2.163 178.379 176.300 -0.139 0.000 1.119 230 R CA 1.323 57.368 56.100 -0.091 0.000 0.970 230 R CB -0.228 30.024 30.300 -0.080 0.000 0.864 230 R HN 0.401 nan 8.270 nan 0.000 0.440 231 E N -0.065 120.030 120.200 -0.175 0.000 2.110 231 E HA -0.197 4.155 4.350 0.003 0.000 0.193 231 E C 0.634 176.954 176.600 -0.466 0.000 0.988 231 E CA 1.011 57.233 56.400 -0.297 0.000 0.804 231 E CB 0.019 29.531 29.700 -0.313 0.000 0.745 231 E HN 0.381 nan 8.360 nan 0.000 0.458 232 W N 0.027 121.101 121.300 -0.378 0.000 3.400 232 W HA 0.299 4.960 4.660 0.001 0.000 0.347 232 W C 1.044 177.276 176.519 -0.478 0.000 1.218 232 W CA 0.455 57.444 57.345 -0.592 0.000 1.837 232 W CB 0.556 29.249 29.460 -1.278 0.000 1.067 232 W HN 0.257 nan 8.180 nan 0.000 0.701 233 G N 0.249 108.955 108.800 -0.157 0.000 2.143 233 G HA2 -0.280 3.682 3.960 0.003 0.000 0.248 233 G HA3 -0.280 3.682 3.960 0.003 0.000 0.248 233 G C -0.219 174.665 174.900 -0.026 0.000 0.991 233 G CA 0.120 45.173 45.100 -0.078 0.000 0.689 233 G HN 0.065 nan 8.290 nan 0.000 0.522 234 V N 0.101 119.994 119.914 -0.034 0.000 2.427 234 V HA 0.602 4.723 4.120 0.003 0.000 0.286 234 V C 0.357 176.466 176.094 0.026 0.000 1.034 234 V CA -1.031 61.288 62.300 0.032 0.000 0.893 234 V CB 1.839 33.704 31.823 0.071 0.000 0.982 234 V HN 0.188 nan 8.190 nan 0.000 0.452 235 K N 6.305 126.739 120.400 0.057 0.000 2.267 235 K HA 0.461 4.782 4.320 0.003 0.000 0.282 235 K C -2.610 174.048 176.600 0.098 0.000 1.078 235 K CA -2.381 53.941 56.287 0.057 0.000 0.903 235 K CB 0.824 33.361 32.500 0.060 0.000 1.111 235 K HN 0.337 nan 8.250 nan 0.000 0.475 236 P HA -0.026 nan 4.420 nan 0.000 0.265 236 P C 0.005 177.407 177.300 0.170 0.000 1.193 236 P CA 0.003 63.175 63.100 0.120 0.000 0.765 236 P CB 0.323 32.054 31.700 0.052 0.000 0.823 237 F N 3.552 123.581 119.950 0.133 0.000 2.234 237 F HA 0.113 4.641 4.527 0.002 0.000 0.296 237 F C 0.292 176.258 175.800 0.277 0.000 1.089 237 F CA 0.892 59.004 58.000 0.187 0.000 1.343 237 F CB 0.062 39.189 39.000 0.212 0.000 1.040 237 F HN 0.253 nan 8.300 nan 0.000 0.498 238 Y N 0.073 120.428 120.300 0.091 0.000 2.479 238 Y HA 0.552 5.103 4.550 0.002 0.000 0.338 238 Y C -1.716 174.226 175.900 0.070 0.000 1.055 238 Y CA -1.671 56.445 58.100 0.026 0.000 1.023 238 Y CB 1.658 40.242 38.460 0.206 0.000 1.287 238 Y HN -0.306 nan 8.280 nan 0.000 0.447 239 V N 5.158 124.711 119.914 -0.601 0.000 2.444 239 V HA 0.240 4.361 4.120 0.003 0.000 0.294 239 V C -1.037 174.708 176.094 -0.582 0.000 1.022 239 V CA -0.805 61.256 62.300 -0.397 0.000 0.850 239 V CB 1.588 33.270 31.823 -0.234 0.000 0.992 239 V HN 0.750 nan 8.190 nan 0.000 0.426 240 D N 3.651 123.894 120.400 -0.261 0.000 2.365 240 D HA 0.186 4.828 4.640 0.003 0.000 0.237 240 D C 1.056 177.319 176.300 -0.061 0.000 1.190 240 D CA -0.116 53.826 54.000 -0.098 0.000 0.867 240 D CB 1.088 41.963 40.800 0.125 0.000 1.050 240 D HN 0.553 nan 8.370 nan 0.000 0.491 241 E N 1.785 121.938 120.200 -0.078 0.000 2.427 241 E HA -0.078 4.274 4.350 0.003 0.000 0.196 241 E C 1.375 177.969 176.600 -0.010 0.000 1.028 241 E CA 0.677 57.048 56.400 -0.048 0.000 0.864 241 E CB 0.112 29.778 29.700 -0.056 0.000 0.813 241 E HN 0.638 nan 8.360 nan 0.000 0.514 242 T N -1.887 112.677 114.554 0.017 0.000 3.107 242 T HA 0.043 4.395 4.350 0.003 0.000 0.249 242 T C 0.438 175.161 174.700 0.038 0.000 1.096 242 T CA -0.091 62.028 62.100 0.031 0.000 1.012 242 T CB -0.119 68.779 68.868 0.050 0.000 0.977 242 T HN 0.087 nan 8.240 nan 0.000 0.527 243 E N 0.768 120.992 120.200 0.040 0.000 2.252 243 E HA -0.175 4.177 4.350 0.003 0.000 0.218 243 E C -0.592 176.047 176.600 0.065 0.000 1.253 243 E CA 0.167 56.595 56.400 0.046 0.000 0.705 243 E CB -1.041 28.675 29.700 0.027 0.000 1.172 243 E HN 0.655 nan 8.360 nan 0.000 0.369 244 R N 0.282 120.834 120.500 0.087 0.000 2.514 244 R HA 0.204 4.546 4.340 0.003 0.000 0.296 244 R C 0.692 177.069 176.300 0.128 0.000 1.012 244 R CA -0.796 55.361 56.100 0.095 0.000 0.897 244 R CB 1.044 31.393 30.300 0.082 0.000 1.184 244 R HN 0.031 nan 8.270 nan 0.000 0.440 245 L N 2.993 124.298 121.223 0.138 0.000 2.079 245 L HA -0.045 4.296 4.340 0.003 0.000 0.210 245 L C 1.811 178.780 176.870 0.165 0.000 1.081 245 L CA 2.415 57.362 54.840 0.179 0.000 0.752 245 L CB -0.469 41.702 42.059 0.186 0.000 0.896 245 L HN 0.898 nan 8.230 nan 0.000 0.433 246 G N -1.868 107.004 108.800 0.119 0.000 2.418 246 G HA2 -0.288 3.674 3.960 0.003 0.000 0.217 246 G HA3 -0.288 3.674 3.960 0.003 0.000 0.217 246 G C 1.693 176.665 174.900 0.120 0.000 1.158 246 G CA 0.859 46.018 45.100 0.098 0.000 0.771 246 G HN 0.472 nan 8.290 nan 0.000 0.545 247 S N -0.203 115.577 115.700 0.133 0.000 2.383 247 S HA -0.062 4.409 4.470 0.003 0.000 0.227 247 S C 2.326 177.067 174.600 0.236 0.000 1.026 247 S CA 1.237 59.531 58.200 0.156 0.000 0.981 247 S CB -0.278 63.009 63.200 0.145 0.000 0.818 247 S HN 0.259 nan 8.310 nan 0.000 0.472 248 L N 1.675 123.059 121.223 0.270 0.000 1.990 248 L HA -0.044 4.298 4.340 0.003 0.000 0.213 248 L C 2.131 179.189 176.870 0.313 0.000 1.072 248 L CA 1.886 56.953 54.840 0.378 0.000 0.755 248 L CB -0.567 41.682 42.059 0.316 0.000 0.889 248 L HN 0.384 nan 8.230 nan 0.000 0.432 249 L N -1.260 120.128 121.223 0.274 0.000 2.093 249 L HA -0.199 4.143 4.340 0.003 0.000 0.208 249 L C 2.635 179.684 176.870 0.298 0.000 1.085 249 L CA 1.237 56.282 54.840 0.342 0.000 0.755 249 L CB -0.561 41.667 42.059 0.283 0.000 0.904 249 L HN 0.397 nan 8.230 nan 0.000 0.435 250 Q N -0.177 119.722 119.800 0.165 0.000 2.046 250 Q HA -0.138 4.203 4.340 0.003 0.000 0.200 250 Q C 2.322 178.345 176.000 0.039 0.000 0.975 250 Q CA 1.576 57.428 55.803 0.082 0.000 0.836 250 Q CB -0.390 28.387 28.738 0.065 0.000 0.896 250 Q HN 0.578 nan 8.270 nan 0.000 0.428 251 G N 0.082 108.900 108.800 0.030 0.000 2.422 251 G HA2 -0.257 3.705 3.960 0.003 0.000 0.218 251 G HA3 -0.257 3.705 3.960 0.003 0.000 0.218 251 G C 1.156 175.750 174.900 -0.509 0.000 1.140 251 G CA 0.373 45.390 45.100 -0.137 0.000 0.775 251 G HN 0.325 nan 8.290 nan 0.000 0.545 252 F N 1.488 121.082 119.950 -0.593 0.000 2.102 252 F HA 0.067 4.596 4.527 0.004 0.000 0.298 252 F C 2.437 178.232 175.800 -0.009 0.000 1.105 252 F CA 1.796 59.569 58.000 -0.378 0.000 1.239 252 F CB -0.207 38.740 39.000 -0.088 0.000 0.991 252 F HN 0.106 nan 8.300 nan 0.000 0.474 253 K N -0.181 120.186 120.400 -0.056 0.000 2.147 253 K HA -0.165 4.157 4.320 0.003 0.000 0.205 253 K C 2.290 178.799 176.600 -0.151 0.000 1.049 253 K CA 0.835 57.058 56.287 -0.107 0.000 0.936 253 K CB -0.030 32.423 32.500 -0.078 0.000 0.722 253 K HN 0.094 nan 8.250 nan 0.000 0.446 254 R N 0.011 120.441 120.500 -0.117 0.000 2.073 254 R HA -0.013 4.329 4.340 0.003 0.000 0.229 254 R C 2.166 178.426 176.300 -0.066 0.000 1.120 254 R CA 1.239 57.293 56.100 -0.077 0.000 0.967 254 R CB -0.641 29.634 30.300 -0.042 0.000 0.862 254 R HN 0.256 nan 8.270 nan 0.000 0.436 255 A N 1.023 123.789 122.820 -0.091 0.000 1.933 255 A HA -0.104 4.218 4.320 0.003 0.000 0.218 255 A C 2.376 180.002 177.584 0.070 0.000 1.175 255 A CA 0.985 53.022 52.037 -0.001 0.000 0.628 255 A CB -0.541 18.466 19.000 0.012 0.000 0.814 255 A HN 0.199 nan 8.150 nan 0.000 0.444 256 L N -0.717 120.472 121.223 -0.057 0.000 2.012 256 L HA -0.286 4.056 4.340 0.003 0.000 0.210 256 L C 2.981 179.837 176.870 -0.022 0.000 1.073 256 L CA 1.870 56.666 54.840 -0.074 0.000 0.748 256 L CB -0.542 41.338 42.059 -0.298 0.000 0.891 256 L HN 0.529 nan 8.230 nan 0.000 0.431 257 Q N -0.378 119.395 119.800 -0.046 0.000 2.124 257 Q HA -0.275 4.066 4.340 0.003 0.000 0.202 257 Q C 2.096 178.096 176.000 0.000 0.000 0.977 257 Q CA 1.548 57.336 55.803 -0.026 0.000 0.850 257 Q CB -0.160 28.555 28.738 -0.039 0.000 0.901 257 Q HN 0.339 nan 8.270 nan 0.000 0.429 258 K N 1.297 121.703 120.400 0.010 0.000 2.283 258 K HA -0.149 4.172 4.320 0.003 0.000 0.202 258 K C 1.632 178.257 176.600 0.041 0.000 1.048 258 K CA 0.987 57.287 56.287 0.023 0.000 0.948 258 K CB 0.179 32.693 32.500 0.024 0.000 0.742 258 K HN 0.152 nan 8.250 nan 0.000 0.458 259 E N -0.404 119.836 120.200 0.067 0.000 2.208 259 E HA -0.091 4.261 4.350 0.003 0.000 0.193 259 E C 1.374 178.008 176.600 0.056 0.000 0.988 259 E CA 0.929 57.381 56.400 0.087 0.000 0.828 259 E CB 0.391 30.181 29.700 0.150 0.000 0.763 259 E HN 0.154 nan 8.360 nan 0.000 0.478 260 V N 0.619 120.554 119.914 0.036 0.000 3.174 260 V HA 0.107 4.228 4.120 0.003 0.000 0.254 260 V C 1.143 177.247 176.094 0.017 0.000 1.120 260 V CA 0.488 62.802 62.300 0.023 0.000 1.114 260 V CB -0.042 31.788 31.823 0.012 0.000 0.756 260 V HN 0.144 nan 8.190 nan 0.000 0.467 261 A N 0.000 122.829 122.820 0.015 0.000 2.254 261 A HA 0.000 4.322 4.320 0.003 0.000 0.244 261 A CA 0.000 52.043 52.037 0.011 0.000 0.836 261 A CB 0.000 19.005 19.000 0.009 0.000 0.831 261 A HN 0.000 nan 8.150 nan 0.000 0.486