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 2zeh_1_A DATA FIRST_RESID 33 DATA SEQUENCE ASAWPEEKNY HQPAILNSSA LRQIAEGTSI SEMWQNDLQP LLIERYPGSP DATA SEQUENCE GSYAARQHIM QRIQRLQADW VLEIDTFLSQ TPYGYRSFSN IISTLNPTAK DATA SEQUENCE RHLVLACHYD SKYFSHWNNR VFVGATDSAV PCAMMLELAR ALDKKLLSLK DATA SEQUENCE XXXXXXPDLS LQLIFFDGQE AFLHWSPQDS LYGSRHLAAK MASTPHPPGA DATA SEQUENCE RGTSQLHGMD LLVLLDLIGA PNPTFPNFFP NSARWFERLQ AIEHELHELG DATA SEQUENCE LLKDHSLEGR YFQNYSYGGV IQDDHIPFLR RGVPVLHLIP SPFPEVWHTM DATA SEQUENCE DDNEENLDES TIDNLNKILQ VFVLEYLHL 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.599 177.584 0.025 0.000 1.274 33 A CA 0.000 52.050 52.037 0.022 0.000 0.836 33 A CB 0.000 19.001 19.000 0.002 0.000 0.831 34 S N 1.094 116.833 115.700 0.065 0.000 2.558 34 S HA 0.355 4.797 4.470 -0.046 0.000 0.291 34 S C 1.275 175.882 174.600 0.012 0.000 1.306 34 S CA 0.618 58.880 58.200 0.102 0.000 1.056 34 S CB 0.580 63.947 63.200 0.279 0.000 0.836 34 S HN 1.917 nan 8.310 nan 0.000 0.504 35 A N 6.499 129.341 122.820 0.037 0.000 2.462 35 A HA 0.204 4.496 4.320 -0.046 0.000 0.261 35 A C 1.497 179.091 177.584 0.018 0.000 1.323 35 A CA -0.260 51.769 52.037 -0.014 0.000 0.913 35 A CB -0.588 18.431 19.000 0.032 0.000 1.028 35 A HN 1.025 nan 8.150 nan 0.000 0.511 36 W N 0.043 121.368 121.300 0.041 0.000 2.350 36 W HA -0.068 4.565 4.660 -0.046 0.000 0.289 36 W C -1.918 174.639 176.519 0.064 0.000 1.215 36 W CA 1.226 58.602 57.345 0.051 0.000 1.236 36 W CB -1.969 27.514 29.460 0.039 0.000 1.130 36 W HN 0.266 nan 8.180 nan 0.000 0.541 37 P HA -0.093 nan 4.420 nan 0.000 0.230 37 P C 1.028 178.234 177.300 -0.158 0.000 1.158 37 P CA 1.879 64.629 63.100 -0.583 0.000 0.769 37 P CB -0.242 30.942 31.700 -0.860 0.000 0.807 38 E N -0.551 119.615 120.200 -0.056 0.000 2.442 38 E HA -0.061 4.262 4.350 -0.046 0.000 0.195 38 E C 1.480 178.180 176.600 0.165 0.000 1.030 38 E CA 0.173 56.604 56.400 0.051 0.000 0.869 38 E CB -0.119 29.647 29.700 0.111 0.000 0.857 38 E HN 0.424 nan 8.360 nan 0.000 0.505 39 E N 1.586 121.919 120.200 0.222 0.000 2.118 39 E HA -0.249 4.074 4.350 -0.046 0.000 0.195 39 E C 1.957 178.705 176.600 0.248 0.000 0.992 39 E CA 1.372 57.946 56.400 0.289 0.000 0.804 39 E CB -0.150 29.710 29.700 0.267 0.000 0.741 39 E HN 0.269 nan 8.360 nan 0.000 0.458 40 K N 0.838 121.351 120.400 0.188 0.000 2.211 40 K HA -0.170 4.123 4.320 -0.046 0.000 0.204 40 K C 1.369 178.079 176.600 0.184 0.000 1.047 40 K CA 1.839 58.252 56.287 0.210 0.000 0.935 40 K CB -0.381 32.232 32.500 0.188 0.000 0.728 40 K HN 0.125 nan 8.250 nan 0.000 0.452 41 N N -0.260 118.425 118.700 -0.026 0.000 2.289 41 N HA -0.130 4.582 4.740 -0.046 0.000 0.184 41 N C 0.666 175.907 175.510 -0.448 0.000 1.016 41 N CA 1.060 53.934 53.050 -0.293 0.000 0.872 41 N CB -0.078 38.034 38.487 -0.626 0.000 0.973 41 N HN 0.265 nan 8.380 nan 0.000 0.433 42 Y N -0.632 119.763 120.300 0.159 0.000 2.467 42 Y HA 0.160 4.683 4.550 -0.045 0.000 0.250 42 Y C 0.613 176.599 175.900 0.142 0.000 1.155 42 Y CA -0.494 57.675 58.100 0.115 0.000 1.249 42 Y CB -0.396 38.115 38.460 0.084 0.000 1.146 42 Y HN 0.130 nan 8.280 nan 0.000 0.524 43 H N 2.476 121.663 119.070 0.195 0.000 2.964 43 H HA 0.072 4.600 4.556 -0.046 0.000 0.328 43 H C -0.399 175.037 175.328 0.180 0.000 1.030 43 H CA 0.575 56.717 56.048 0.156 0.000 1.445 43 H CB 0.715 30.537 29.762 0.100 0.000 1.449 43 H HN 0.161 nan 8.280 nan 0.000 0.581 44 Q N 5.413 124.999 119.800 -0.356 0.000 2.387 44 Q HA 0.376 4.689 4.340 -0.046 0.000 0.273 44 Q C -2.364 173.506 176.000 -0.218 0.000 1.089 44 Q CA -2.003 53.682 55.803 -0.197 0.000 0.824 44 Q CB 2.219 30.884 28.738 -0.122 0.000 1.367 44 Q HN 0.616 nan 8.270 nan 0.000 0.443 45 P HA 0.303 nan 4.420 nan 0.000 0.276 45 P C -1.257 175.906 177.300 -0.228 0.000 1.252 45 P CA -0.460 62.623 63.100 -0.030 0.000 0.802 45 P CB 0.839 32.583 31.700 0.074 0.000 1.035 46 A N 3.161 125.753 122.820 -0.380 0.000 2.412 46 A HA 0.436 4.729 4.320 -0.046 0.000 0.334 46 A C 0.432 177.899 177.584 -0.195 0.000 1.419 46 A CA -0.771 50.997 52.037 -0.449 0.000 0.930 46 A CB -0.775 17.786 19.000 -0.731 0.000 1.149 46 A HN 0.442 nan 8.150 nan 0.000 0.515 47 I N 2.924 123.415 120.570 -0.131 0.000 2.618 47 I HA 0.014 4.156 4.170 -0.046 0.000 0.284 47 I C 0.119 176.208 176.117 -0.048 0.000 1.146 47 I CA 0.227 61.487 61.300 -0.066 0.000 1.425 47 I CB 0.696 38.667 38.000 -0.048 0.000 1.383 47 I HN 0.472 nan 8.210 nan 0.000 0.562 48 L N 6.418 127.628 121.223 -0.021 0.000 2.380 48 L HA 0.176 4.488 4.340 -0.046 0.000 0.273 48 L C 0.343 177.212 176.870 -0.002 0.000 1.138 48 L CA -0.659 54.175 54.840 -0.010 0.000 0.832 48 L CB 0.294 42.358 42.059 0.007 0.000 1.124 48 L HN 0.691 nan 8.230 nan 0.000 0.454 49 N N 0.677 119.374 118.700 -0.004 0.000 2.364 49 N HA 0.101 4.814 4.740 -0.046 0.000 0.264 49 N C 0.663 176.178 175.510 0.009 0.000 1.263 49 N CA -0.565 52.486 53.050 0.001 0.000 0.959 49 N CB 0.360 38.845 38.487 -0.003 0.000 1.204 49 N HN 0.457 nan 8.380 nan 0.000 0.550 50 S N -0.660 115.047 115.700 0.011 0.000 2.374 50 S HA -0.237 4.205 4.470 -0.046 0.000 0.227 50 S C 1.792 176.399 174.600 0.011 0.000 1.037 50 S CA 1.546 59.754 58.200 0.014 0.000 1.024 50 S CB -0.699 62.508 63.200 0.013 0.000 0.861 50 S HN 0.735 nan 8.310 nan 0.000 0.456 51 S N 1.580 117.285 115.700 0.008 0.000 2.368 51 S HA -0.068 4.375 4.470 -0.046 0.000 0.225 51 S C 2.039 176.646 174.600 0.011 0.000 1.030 51 S CA 1.216 59.420 58.200 0.008 0.000 0.999 51 S CB -0.492 62.711 63.200 0.006 0.000 0.844 51 S HN 0.540 nan 8.310 nan 0.000 0.459 52 A N 1.220 124.046 122.820 0.010 0.000 1.969 52 A HA 0.153 4.446 4.320 -0.046 0.000 0.218 52 A C 2.233 179.829 177.584 0.020 0.000 1.169 52 A CA 1.153 53.198 52.037 0.014 0.000 0.635 52 A CB -0.677 18.329 19.000 0.010 0.000 0.810 52 A HN 0.582 nan 8.150 nan 0.000 0.445 53 L N -1.038 120.197 121.223 0.020 0.000 2.056 53 L HA -0.176 4.137 4.340 -0.046 0.000 0.207 53 L C 2.847 179.731 176.870 0.024 0.000 1.078 53 L CA 1.333 56.188 54.840 0.026 0.000 0.749 53 L CB -0.441 41.635 42.059 0.028 0.000 0.901 53 L HN 0.368 nan 8.230 nan 0.000 0.433 54 R N -0.495 120.015 120.500 0.018 0.000 2.092 54 R HA -0.201 4.111 4.340 -0.046 0.000 0.231 54 R C 2.247 178.559 176.300 0.020 0.000 1.119 54 R CA 1.226 57.335 56.100 0.016 0.000 0.970 54 R CB -0.295 30.012 30.300 0.011 0.000 0.864 54 R HN 0.443 nan 8.270 nan 0.000 0.440 55 Q N 0.710 120.523 119.800 0.020 0.000 2.050 55 Q HA -0.167 4.145 4.340 -0.046 0.000 0.202 55 Q C 1.927 177.945 176.000 0.030 0.000 0.980 55 Q CA 1.284 57.100 55.803 0.023 0.000 0.840 55 Q CB 0.158 28.909 28.738 0.021 0.000 0.898 55 Q HN 0.202 nan 8.270 nan 0.000 0.424 56 I N 0.925 121.515 120.570 0.034 0.000 2.226 56 I HA -0.207 3.936 4.170 -0.046 0.000 0.245 56 I C 2.434 178.578 176.117 0.045 0.000 1.100 56 I CA 1.342 62.668 61.300 0.043 0.000 1.374 56 I CB -1.878 36.151 38.000 0.049 0.000 1.057 56 I HN 0.238 nan 8.210 nan 0.000 0.413 57 A N 0.517 123.361 122.820 0.039 0.000 1.902 57 A HA -0.171 4.122 4.320 -0.046 0.000 0.217 57 A C 2.139 179.745 177.584 0.037 0.000 1.181 57 A CA 1.403 53.463 52.037 0.039 0.000 0.623 57 A CB -0.441 18.576 19.000 0.028 0.000 0.818 57 A HN 0.360 nan 8.150 nan 0.000 0.443 58 E N -0.493 119.726 120.200 0.031 0.000 2.347 58 E HA -0.064 4.258 4.350 -0.046 0.000 0.196 58 E C 1.872 178.493 176.600 0.034 0.000 1.008 58 E CA 0.871 57.288 56.400 0.029 0.000 0.852 58 E CB -0.461 29.253 29.700 0.023 0.000 0.783 58 E HN 0.588 nan 8.360 nan 0.000 0.505 59 G N 0.496 109.319 108.800 0.039 0.000 2.985 59 G HA2 -0.071 3.861 3.960 -0.046 0.000 0.209 59 G HA3 -0.071 3.861 3.960 -0.046 0.000 0.209 59 G C 0.713 175.642 174.900 0.049 0.000 1.165 59 G CA 0.321 45.447 45.100 0.042 0.000 0.776 59 G HN 0.138 nan 8.290 nan 0.000 0.541 60 T N -0.696 113.890 114.554 0.054 0.000 2.888 60 T HA 0.558 4.880 4.350 -0.046 0.000 0.284 60 T C -0.679 174.059 174.700 0.063 0.000 1.017 60 T CA -0.451 61.686 62.100 0.062 0.000 1.022 60 T CB 1.661 70.570 68.868 0.070 0.000 1.013 60 T HN -0.013 nan 8.240 nan 0.000 0.465 61 S N 4.208 119.950 115.700 0.071 0.000 2.733 61 S HA 0.338 4.780 4.470 -0.046 0.000 0.307 61 S C 0.897 175.558 174.600 0.102 0.000 1.127 61 S CA -0.807 57.437 58.200 0.074 0.000 1.097 61 S CB 0.611 63.849 63.200 0.064 0.000 1.003 61 S HN 0.707 nan 8.310 nan 0.000 0.477 62 I N 5.670 126.308 120.570 0.113 0.000 2.315 62 I HA -0.086 4.057 4.170 -0.046 0.000 0.248 62 I C 2.311 178.558 176.117 0.216 0.000 1.117 62 I CA 2.323 63.729 61.300 0.178 0.000 1.404 62 I CB -0.304 37.797 38.000 0.168 0.000 1.071 62 I HN 0.811 nan 8.210 nan 0.000 0.419 63 S N -0.410 115.365 115.700 0.125 0.000 2.383 63 S HA -0.120 4.323 4.470 -0.046 0.000 0.227 63 S C 1.892 176.587 174.600 0.159 0.000 1.026 63 S CA 0.860 59.131 58.200 0.118 0.000 0.981 63 S CB -0.580 62.642 63.200 0.037 0.000 0.818 63 S HN 0.482 nan 8.310 nan 0.000 0.472 64 E N 1.274 121.547 120.200 0.122 0.000 2.072 64 E HA -0.072 4.251 4.350 -0.046 0.000 0.191 64 E C 2.010 178.684 176.600 0.123 0.000 0.985 64 E CA 1.080 57.543 56.400 0.105 0.000 0.801 64 E CB -0.451 29.294 29.700 0.075 0.000 0.750 64 E HN 0.638 nan 8.360 nan 0.000 0.452 65 M N -0.171 119.512 119.600 0.137 0.000 2.080 65 M HA -0.179 4.273 4.480 -0.046 0.000 0.260 65 M C 2.176 178.549 176.300 0.122 0.000 1.068 65 M CA 1.563 56.930 55.300 0.113 0.000 1.109 65 M CB -0.270 32.397 32.600 0.112 0.000 1.342 65 M HN 0.198 nan 8.290 nan 0.000 0.405 66 W N 1.184 122.497 121.300 0.020 0.000 2.335 66 W HA -0.286 4.345 4.660 -0.047 0.000 0.311 66 W C 2.359 178.881 176.519 0.004 0.000 1.213 66 W CA 2.332 59.684 57.345 0.012 0.000 1.274 66 W CB -0.738 28.728 29.460 0.010 0.000 1.148 66 W HN 0.498 nan 8.180 nan 0.000 0.498 67 Q N -0.273 119.681 119.800 0.257 0.000 2.062 67 Q HA -0.154 4.158 4.340 -0.046 0.000 0.196 67 Q C 1.702 177.743 176.000 0.069 0.000 0.967 67 Q CA 1.454 57.347 55.803 0.150 0.000 0.832 67 Q CB -0.246 28.569 28.738 0.129 0.000 0.899 67 Q HN 0.131 nan 8.270 nan 0.000 0.442 68 N N 0.137 118.880 118.700 0.073 0.000 2.402 68 N HA -0.036 4.676 4.740 -0.046 0.000 0.174 68 N C 0.620 176.201 175.510 0.117 0.000 1.027 68 N CA 0.903 53.996 53.050 0.072 0.000 0.891 68 N CB 0.279 38.804 38.487 0.064 0.000 1.016 68 N HN 0.277 nan 8.380 nan 0.000 0.439 69 D N -0.123 120.327 120.400 0.082 0.000 2.463 69 D HA 0.053 4.666 4.640 -0.046 0.000 0.237 69 D C 1.828 178.161 176.300 0.055 0.000 1.013 69 D CA -0.027 54.054 54.000 0.135 0.000 0.910 69 D CB 0.471 41.299 40.800 0.047 0.000 1.080 69 D HN 0.030 nan 8.370 nan 0.000 0.498 70 L N 1.261 122.420 121.223 -0.108 0.000 2.071 70 L HA 0.021 4.334 4.340 -0.046 0.000 0.201 70 L C 2.185 178.893 176.870 -0.270 0.000 1.076 70 L CA 1.643 56.330 54.840 -0.254 0.000 0.755 70 L CB -0.558 41.183 42.059 -0.531 0.000 0.915 70 L HN -0.151 nan 8.230 nan 0.000 0.445 71 Q N -0.169 119.487 119.800 -0.240 0.000 2.152 71 Q HA -0.187 4.125 4.340 -0.046 0.000 0.206 71 Q C -0.509 175.366 176.000 -0.209 0.000 0.985 71 Q CA 2.244 57.939 55.803 -0.179 0.000 0.863 71 Q CB -1.144 27.555 28.738 -0.065 0.000 0.904 71 Q HN 0.465 nan 8.270 nan 0.000 0.422 72 P HA -0.119 nan 4.420 nan 0.000 0.225 72 P C 0.612 177.677 177.300 -0.391 0.000 1.148 72 P CA 1.071 63.915 63.100 -0.428 0.000 0.779 72 P CB 0.087 31.295 31.700 -0.819 0.000 0.780 73 L N -1.895 119.138 121.223 -0.317 0.000 2.567 73 L HA 0.094 4.407 4.340 -0.046 0.000 0.225 73 L C 0.924 177.715 176.870 -0.132 0.000 1.119 73 L CA 0.046 54.781 54.840 -0.175 0.000 0.871 73 L CB -0.249 41.751 42.059 -0.099 0.000 1.036 73 L HN -0.080 nan 8.230 nan 0.000 0.459 74 L N 3.040 124.171 121.223 -0.154 0.000 2.437 74 L HA 0.259 4.571 4.340 -0.046 0.000 0.243 74 L C -0.101 176.707 176.870 -0.103 0.000 1.346 74 L CA 0.096 54.856 54.840 -0.135 0.000 1.233 74 L CB -0.680 41.295 42.059 -0.139 0.000 1.436 74 L HN 0.203 nan 8.230 nan 0.000 0.416 75 I N -3.382 117.140 120.570 -0.081 0.000 3.095 75 I HA 0.466 4.608 4.170 -0.046 0.000 0.310 75 I C -0.349 175.764 176.117 -0.008 0.000 1.196 75 I CA -1.093 60.179 61.300 -0.046 0.000 0.985 75 I CB 2.009 39.984 38.000 -0.043 0.000 1.250 75 I HN 0.009 nan 8.210 nan 0.000 0.446 76 E N 3.330 123.550 120.200 0.035 0.000 2.351 76 E HA 0.170 4.493 4.350 -0.046 0.000 0.266 76 E C -0.318 176.317 176.600 0.058 0.000 1.031 76 E CA -0.255 56.215 56.400 0.117 0.000 0.911 76 E CB 0.540 30.358 29.700 0.197 0.000 0.986 76 E HN 0.716 nan 8.360 nan 0.000 0.446 77 R N 3.956 124.507 120.500 0.084 0.000 2.583 77 R HA 0.102 4.414 4.340 -0.046 0.000 0.329 77 R C -0.960 175.353 176.300 0.021 0.000 1.166 77 R CA -0.657 55.444 56.100 0.002 0.000 1.264 77 R CB -0.551 29.782 30.300 0.056 0.000 1.324 77 R HN 0.411 nan 8.270 nan 0.000 0.684 78 Y N -0.434 119.927 120.300 0.101 0.000 2.426 78 Y HA 0.491 5.014 4.550 -0.046 0.000 0.344 78 Y C -2.235 173.674 175.900 0.016 0.000 1.256 78 Y CA -2.865 55.272 58.100 0.062 0.000 1.451 78 Y CB -0.311 38.237 38.460 0.146 0.000 1.342 78 Y HN -0.007 nan 8.280 nan 0.000 0.600 79 P HA 0.077 nan 4.420 nan 0.000 0.262 79 P C 0.755 178.027 177.300 -0.046 0.000 1.182 79 P CA 2.090 65.177 63.100 -0.021 0.000 0.761 79 P CB 0.556 32.201 31.700 -0.092 0.000 0.795 80 G N 1.876 110.581 108.800 -0.157 0.000 2.179 80 G HA2 -0.251 3.682 3.960 -0.046 0.000 0.260 80 G HA3 -0.251 3.682 3.960 -0.046 0.000 0.260 80 G C 0.415 175.217 174.900 -0.163 0.000 0.977 80 G CA 0.341 45.348 45.100 -0.155 0.000 0.641 80 G HN 0.782 nan 8.290 nan 0.000 0.533 81 S N 0.081 115.594 115.700 -0.311 0.000 2.645 81 S HA 0.650 5.093 4.470 -0.046 0.000 0.266 81 S C -0.844 173.643 174.600 -0.189 0.000 1.258 81 S CA -0.552 57.393 58.200 -0.424 0.000 0.990 81 S CB 2.030 64.615 63.200 -1.026 0.000 0.967 81 S HN -0.012 nan 8.310 nan 0.000 0.556 82 P HA 0.079 nan 4.420 nan 0.000 0.218 82 P C 1.621 178.937 177.300 0.027 0.000 1.149 82 P CA 1.290 64.378 63.100 -0.020 0.000 0.817 82 P CB -0.445 31.244 31.700 -0.018 0.000 0.785 83 G N -0.557 108.213 108.800 -0.050 0.000 2.422 83 G HA2 -0.239 3.693 3.960 -0.046 0.000 0.218 83 G HA3 -0.239 3.693 3.960 -0.046 0.000 0.218 83 G C 1.821 176.733 174.900 0.020 0.000 1.140 83 G CA 0.930 46.019 45.100 -0.019 0.000 0.775 83 G HN 0.312 nan 8.290 nan 0.000 0.545 84 S N -0.714 114.989 115.700 0.005 0.000 2.368 84 S HA -0.165 4.278 4.470 -0.046 0.000 0.224 84 S C 2.091 176.795 174.600 0.173 0.000 1.029 84 S CA 1.416 59.682 58.200 0.111 0.000 0.988 84 S CB -0.447 62.778 63.200 0.041 0.000 0.838 84 S HN 0.487 nan 8.310 nan 0.000 0.462 85 Y N 2.082 122.389 120.300 0.012 0.000 2.145 85 Y HA -0.009 4.514 4.550 -0.046 0.000 0.286 85 Y C 2.440 178.337 175.900 -0.005 0.000 1.145 85 Y CA 1.364 59.466 58.100 0.002 0.000 1.148 85 Y CB -1.004 37.440 38.460 -0.028 0.000 0.981 85 Y HN 0.310 nan 8.280 nan 0.000 0.507 86 A N 0.363 123.162 122.820 -0.035 0.000 1.933 86 A HA -0.092 4.201 4.320 -0.046 0.000 0.218 86 A C 2.415 179.925 177.584 -0.123 0.000 1.175 86 A CA 1.838 53.809 52.037 -0.111 0.000 0.628 86 A CB -1.453 17.539 19.000 -0.012 0.000 0.814 86 A HN 0.603 nan 8.150 nan 0.000 0.444 87 A N -0.193 122.598 122.820 -0.049 0.000 1.873 87 A HA -0.150 4.143 4.320 -0.046 0.000 0.215 87 A C 2.236 179.714 177.584 -0.176 0.000 1.186 87 A CA 1.769 53.794 52.037 -0.021 0.000 0.616 87 A CB -0.488 18.601 19.000 0.150 0.000 0.823 87 A HN 0.554 nan 8.150 nan 0.000 0.442 88 R N -0.888 119.463 120.500 -0.248 0.000 2.081 88 R HA -0.161 4.152 4.340 -0.046 0.000 0.235 88 R C 2.225 178.278 176.300 -0.412 0.000 1.131 88 R CA 1.646 57.477 56.100 -0.448 0.000 0.960 88 R CB -0.211 29.902 30.300 -0.310 0.000 0.856 88 R HN 0.470 nan 8.270 nan 0.000 0.436 89 Q N -0.561 118.990 119.800 -0.415 0.000 2.119 89 Q HA -0.202 4.110 4.340 -0.046 0.000 0.201 89 Q C 1.945 177.796 176.000 -0.249 0.000 0.972 89 Q CA 1.862 57.447 55.803 -0.364 0.000 0.847 89 Q CB -0.503 27.984 28.738 -0.419 0.000 0.903 89 Q HN 0.591 nan 8.270 nan 0.000 0.433 90 H N 0.635 119.531 119.070 -0.289 0.000 2.326 90 H HA 0.001 4.529 4.556 -0.046 0.000 0.301 90 H C 1.962 177.110 175.328 -0.299 0.000 1.081 90 H CA 1.557 57.458 56.048 -0.244 0.000 1.334 90 H CB -0.227 29.413 29.762 -0.203 0.000 1.385 90 H HN 0.126 nan 8.280 nan 0.000 0.504 91 I N -0.088 120.142 120.570 -0.567 0.000 2.179 91 I HA -0.300 3.842 4.170 -0.046 0.000 0.242 91 I C 2.395 178.136 176.117 -0.627 0.000 1.088 91 I CA 1.638 62.483 61.300 -0.759 0.000 1.357 91 I CB -0.245 37.184 38.000 -0.951 0.000 1.051 91 I HN 0.370 nan 8.210 nan 0.000 0.409 92 M N -0.380 118.929 119.600 -0.486 0.000 2.117 92 M HA -0.248 4.205 4.480 -0.046 0.000 0.262 92 M C 2.329 178.457 176.300 -0.287 0.000 1.065 92 M CA 1.832 56.921 55.300 -0.352 0.000 1.114 92 M CB -0.435 32.004 32.600 -0.269 0.000 1.361 92 M HN 0.226 nan 8.290 nan 0.000 0.408 93 Q N -0.307 119.327 119.800 -0.277 0.000 2.084 93 Q HA -0.107 4.206 4.340 -0.046 0.000 0.202 93 Q C 2.198 178.066 176.000 -0.220 0.000 0.978 93 Q CA 1.002 56.682 55.803 -0.204 0.000 0.844 93 Q CB -0.043 28.599 28.738 -0.160 0.000 0.898 93 Q HN 0.366 nan 8.270 nan 0.000 0.426 94 R N 0.292 120.590 120.500 -0.337 0.000 2.115 94 R HA -0.050 4.262 4.340 -0.046 0.000 0.230 94 R C 2.056 178.199 176.300 -0.261 0.000 1.111 94 R CA 1.001 56.918 56.100 -0.306 0.000 0.976 94 R CB -0.367 29.668 30.300 -0.442 0.000 0.870 94 R HN 0.368 nan 8.270 nan 0.000 0.445 95 I N 0.837 121.213 120.570 -0.324 0.000 2.406 95 I HA -0.212 3.931 4.170 -0.046 0.000 0.249 95 I C 2.290 178.308 176.117 -0.165 0.000 1.122 95 I CA 0.950 62.042 61.300 -0.345 0.000 1.431 95 I CB -0.208 37.501 38.000 -0.485 0.000 1.087 95 I HN 0.135 nan 8.210 nan 0.000 0.424 96 Q N 0.825 120.549 119.800 -0.127 0.000 2.170 96 Q HA -0.213 4.099 4.340 -0.046 0.000 0.203 96 Q C 2.089 178.084 176.000 -0.008 0.000 0.976 96 Q CA 1.316 57.094 55.803 -0.041 0.000 0.858 96 Q CB -0.230 28.475 28.738 -0.055 0.000 0.907 96 Q HN 0.577 nan 8.270 nan 0.000 0.433 97 R N 0.189 120.669 120.500 -0.032 0.000 2.316 97 R HA 0.044 4.356 4.340 -0.046 0.000 0.202 97 R C 0.443 176.758 176.300 0.025 0.000 1.029 97 R CA 0.132 56.227 56.100 -0.008 0.000 1.018 97 R CB -0.295 29.990 30.300 -0.025 0.000 0.888 97 R HN 0.091 nan 8.270 nan 0.000 0.471 98 L N 1.543 122.799 121.223 0.056 0.000 2.439 98 L HA 0.109 4.422 4.340 -0.046 0.000 0.261 98 L C 1.428 178.372 176.870 0.125 0.000 1.153 98 L CA -0.372 54.534 54.840 0.110 0.000 0.808 98 L CB 0.950 43.123 42.059 0.190 0.000 1.126 98 L HN 0.130 nan 8.230 nan 0.000 0.460 99 Q N 1.346 121.208 119.800 0.103 0.000 2.137 99 Q HA 0.037 4.350 4.340 -0.046 0.000 0.198 99 Q C 0.737 176.769 176.000 0.054 0.000 0.960 99 Q CA 0.675 56.518 55.803 0.066 0.000 0.847 99 Q CB -0.015 28.749 28.738 0.042 0.000 0.915 99 Q HN 0.782 nan 8.270 nan 0.000 0.448 100 A N 1.820 124.676 122.820 0.061 0.000 2.507 100 A HA -0.074 4.218 4.320 -0.046 0.000 0.235 100 A C 0.026 177.548 177.584 -0.104 0.000 1.070 100 A CA 0.003 51.989 52.037 -0.085 0.000 0.768 100 A CB 0.125 18.987 19.000 -0.231 0.000 1.011 100 A HN 0.119 nan 8.150 nan 0.000 0.502 101 D N 1.199 121.477 120.400 -0.203 0.000 2.934 101 D HA 0.183 4.796 4.640 -0.046 0.000 0.237 101 D C -0.637 175.596 176.300 -0.111 0.000 1.158 101 D CA -0.143 53.790 54.000 -0.113 0.000 0.971 101 D CB -0.572 40.166 40.800 -0.103 0.000 1.123 101 D HN 0.407 nan 8.370 nan 0.000 0.467 102 W N 0.730 122.029 121.300 -0.002 0.000 2.210 102 W HA 0.218 4.850 4.660 -0.046 0.000 0.330 102 W C 0.203 176.717 176.519 -0.009 0.000 1.334 102 W CA -0.672 56.671 57.345 -0.004 0.000 1.227 102 W CB 0.781 30.235 29.460 -0.010 0.000 1.178 102 W HN -0.128 nan 8.180 nan 0.000 0.560 103 V N 5.952 126.022 119.914 0.260 0.000 2.334 103 V HA 0.288 4.381 4.120 -0.046 0.000 0.281 103 V C -0.005 176.170 176.094 0.135 0.000 1.016 103 V CA -0.969 61.418 62.300 0.144 0.000 0.832 103 V CB 0.637 32.511 31.823 0.085 0.000 0.999 103 V HN 0.333 nan 8.190 nan 0.000 0.439 104 L N 5.311 126.586 121.223 0.087 0.000 2.292 104 L HA 0.562 4.874 4.340 -0.046 0.000 0.284 104 L C 0.147 177.036 176.870 0.031 0.000 1.065 104 L CA -0.072 54.791 54.840 0.040 0.000 0.806 104 L CB 1.132 43.184 42.059 -0.012 0.000 1.175 104 L HN 0.640 nan 8.230 nan 0.000 0.431 105 E N 3.940 124.159 120.200 0.032 0.000 2.272 105 E HA 0.492 4.815 4.350 -0.046 0.000 0.269 105 E C -1.232 175.398 176.600 0.050 0.000 0.877 105 E CA -0.825 55.601 56.400 0.043 0.000 0.755 105 E CB 2.855 32.586 29.700 0.052 0.000 1.192 105 E HN 0.271 nan 8.360 nan 0.000 0.422 106 I N 2.366 122.973 120.570 0.063 0.000 2.339 106 I HA 0.155 4.298 4.170 -0.046 0.000 0.290 106 I C -0.371 175.832 176.117 0.142 0.000 0.994 106 I CA -0.829 60.524 61.300 0.089 0.000 1.191 106 I CB 0.992 39.032 38.000 0.066 0.000 1.343 106 I HN 0.542 nan 8.210 nan 0.000 0.458 107 D N 5.403 125.928 120.400 0.209 0.000 2.485 107 D HA 0.238 4.850 4.640 -0.046 0.000 0.221 107 D C -0.540 175.984 176.300 0.374 0.000 1.112 107 D CA -0.048 54.125 54.000 0.288 0.000 0.911 107 D CB 0.684 41.679 40.800 0.324 0.000 1.019 107 D HN 0.368 nan 8.370 nan 0.000 0.516 108 T N 4.187 118.909 114.554 0.280 0.000 2.799 108 T HA 0.585 4.907 4.350 -0.046 0.000 0.286 108 T C -0.415 174.417 174.700 0.220 0.000 0.973 108 T CA -0.417 61.801 62.100 0.197 0.000 1.035 108 T CB 0.292 69.222 68.868 0.104 0.000 0.932 108 T HN 0.356 nan 8.240 nan 0.000 0.469 109 F N 0.824 120.755 119.950 -0.032 0.000 2.711 109 F HA 0.757 5.256 4.527 -0.046 0.000 0.313 109 F C -2.041 173.766 175.800 0.010 0.000 1.141 109 F CA -1.724 56.211 58.000 -0.109 0.000 0.941 109 F CB 0.911 39.582 39.000 -0.548 0.000 1.349 109 F HN 0.299 nan 8.300 nan 0.000 0.464 110 L N 1.812 123.105 121.223 0.117 0.000 2.334 110 L HA 0.761 5.073 4.340 -0.046 0.000 0.275 110 L C -0.185 176.802 176.870 0.194 0.000 1.036 110 L CA -0.772 54.104 54.840 0.060 0.000 0.807 110 L CB 1.822 43.874 42.059 -0.012 0.000 1.231 110 L HN 0.873 nan 8.230 nan 0.000 0.438 111 S N 0.958 116.761 115.700 0.173 0.000 2.556 111 S HA 0.355 4.797 4.470 -0.046 0.000 0.271 111 S C -1.102 173.580 174.600 0.138 0.000 1.135 111 S CA -0.639 57.676 58.200 0.191 0.000 0.858 111 S CB 1.969 65.366 63.200 0.328 0.000 1.114 111 S HN 0.541 nan 8.310 nan 0.000 0.468 112 Q N 1.707 121.576 119.800 0.114 0.000 2.327 112 Q HA 0.609 4.922 4.340 -0.046 0.000 0.254 112 Q C -0.055 176.089 176.000 0.240 0.000 0.952 112 Q CA 0.305 56.233 55.803 0.209 0.000 0.884 112 Q CB 0.876 29.725 28.738 0.186 0.000 1.224 112 Q HN 0.822 nan 8.270 nan 0.000 0.422 113 T N -0.100 114.535 114.554 0.135 0.000 2.812 113 T HA 0.539 4.862 4.350 -0.046 0.000 0.294 113 T C -2.193 172.446 174.700 -0.103 0.000 1.159 113 T CA -1.655 60.479 62.100 0.057 0.000 1.008 113 T CB 1.185 69.888 68.868 -0.275 0.000 1.289 113 T HN 0.410 nan 8.240 nan 0.000 0.514 114 P HA 0.064 nan 4.420 nan 0.000 0.225 114 P C 0.023 176.937 177.300 -0.644 0.000 1.148 114 P CA 0.834 63.679 63.100 -0.426 0.000 0.779 114 P CB -0.160 31.223 31.700 -0.528 0.000 0.780 115 Y N -1.325 118.826 120.300 -0.248 0.000 2.607 115 Y HA 0.459 4.981 4.550 -0.046 0.000 0.266 115 Y C 1.602 177.368 175.900 -0.224 0.000 1.178 115 Y CA 0.132 58.070 58.100 -0.270 0.000 1.226 115 Y CB -0.171 38.042 38.460 -0.412 0.000 1.144 115 Y HN -0.087 nan 8.280 nan 0.000 0.528 116 G N -0.453 108.293 108.800 -0.090 0.000 2.610 116 G HA2 -0.234 3.698 3.960 -0.046 0.000 0.304 116 G HA3 -0.234 3.698 3.960 -0.046 0.000 0.304 116 G C -0.671 174.277 174.900 0.080 0.000 1.309 116 G CA -1.135 43.934 45.100 -0.052 0.000 0.906 116 G HN 0.179 nan 8.290 nan 0.000 0.521 117 Y N 1.070 121.331 120.300 -0.065 0.000 2.526 117 Y HA 0.418 4.941 4.550 -0.046 0.000 0.330 117 Y C 1.623 177.463 175.900 -0.100 0.000 1.156 117 Y CA -0.103 57.969 58.100 -0.046 0.000 1.419 117 Y CB 0.483 38.928 38.460 -0.024 0.000 1.250 117 Y HN 0.434 nan 8.280 nan 0.000 0.540 118 R N 1.150 121.675 120.500 0.041 0.000 2.799 118 R HA 0.399 4.711 4.340 -0.046 0.000 0.270 118 R C -1.209 174.961 176.300 -0.216 0.000 1.010 118 R CA -1.017 54.980 56.100 -0.171 0.000 0.916 118 R CB 2.203 32.261 30.300 -0.403 0.000 1.228 118 R HN 0.502 nan 8.270 nan 0.000 0.469 119 S N 0.721 116.196 115.700 -0.376 0.000 2.525 119 S HA 0.718 5.161 4.470 -0.046 0.000 0.290 119 S C -1.257 172.939 174.600 -0.672 0.000 1.152 119 S CA -0.438 57.544 58.200 -0.363 0.000 1.072 119 S CB 0.453 63.519 63.200 -0.222 0.000 1.027 119 S HN 0.352 nan 8.310 nan 0.000 0.500 120 F N 1.276 120.858 119.950 -0.613 0.000 2.588 120 F HA 0.545 5.044 4.527 -0.046 0.000 0.314 120 F C 0.178 175.744 175.800 -0.390 0.000 1.069 120 F CA -0.732 56.933 58.000 -0.559 0.000 0.931 120 F CB 2.516 40.951 39.000 -0.942 0.000 1.260 120 F HN 0.397 nan 8.300 nan 0.000 0.465 121 S N 2.005 117.811 115.700 0.178 0.000 2.789 121 S HA 0.334 4.777 4.470 -0.046 0.000 0.286 121 S C -0.975 173.904 174.600 0.466 0.000 1.153 121 S CA -0.901 57.471 58.200 0.285 0.000 1.084 121 S CB 0.570 63.897 63.200 0.212 0.000 1.036 121 S HN 0.431 nan 8.310 nan 0.000 0.484 122 N N 2.201 121.207 118.700 0.511 0.000 2.503 122 N HA 0.403 5.115 4.740 -0.046 0.000 0.267 122 N C -0.489 175.194 175.510 0.289 0.000 1.214 122 N CA -0.026 53.317 53.050 0.488 0.000 0.959 122 N CB 0.733 39.498 38.487 0.463 0.000 1.142 122 N HN 0.506 nan 8.380 nan 0.000 0.455 123 I N 2.172 122.865 120.570 0.206 0.000 2.378 123 I HA 0.344 4.486 4.170 -0.046 0.000 0.291 123 I C -0.428 175.753 176.117 0.107 0.000 0.992 123 I CA -0.640 60.702 61.300 0.069 0.000 1.154 123 I CB 1.000 38.927 38.000 -0.123 0.000 1.315 123 I HN 0.208 nan 8.210 nan 0.000 0.448 124 I N 5.094 125.700 120.570 0.059 0.000 2.436 124 I HA 0.315 4.458 4.170 -0.046 0.000 0.289 124 I C -0.053 176.088 176.117 0.041 0.000 1.010 124 I CA -0.077 61.238 61.300 0.025 0.000 1.098 124 I CB 2.022 40.024 38.000 0.003 0.000 1.266 124 I HN 0.396 nan 8.210 nan 0.000 0.434 125 S N 3.817 119.549 115.700 0.054 0.000 2.552 125 S HA 0.758 5.201 4.470 -0.046 0.000 0.314 125 S C -0.706 174.081 174.600 0.312 0.000 1.099 125 S CA -0.286 57.984 58.200 0.117 0.000 1.070 125 S CB 0.616 63.751 63.200 -0.110 0.000 0.998 125 S HN 0.624 nan 8.310 nan 0.000 0.474 126 T N 5.418 120.183 114.554 0.353 0.000 2.861 126 T HA 0.493 4.815 4.350 -0.046 0.000 0.287 126 T C -0.752 174.022 174.700 0.123 0.000 1.003 126 T CA -0.542 61.685 62.100 0.211 0.000 0.977 126 T CB 1.029 69.876 68.868 -0.035 0.000 0.996 126 T HN 0.525 nan 8.240 nan 0.000 0.448 127 L N 3.208 124.390 121.223 -0.069 0.000 2.309 127 L HA 0.463 4.776 4.340 -0.046 0.000 0.282 127 L C 0.264 177.144 176.870 0.016 0.000 1.036 127 L CA -0.879 53.805 54.840 -0.259 0.000 0.806 127 L CB 0.606 42.332 42.059 -0.555 0.000 1.220 127 L HN 0.768 nan 8.230 nan 0.000 0.429 128 N N 2.202 120.896 118.700 -0.010 0.000 2.671 128 N HA -0.144 4.568 4.740 -0.046 0.000 0.261 128 N C -2.170 173.469 175.510 0.214 0.000 1.053 128 N CA -0.061 53.026 53.050 0.062 0.000 0.732 128 N CB -0.684 37.797 38.487 -0.010 0.000 0.887 128 N HN 0.468 nan 8.380 nan 0.000 0.546 129 P HA -0.191 nan 4.420 nan 0.000 0.216 129 P C 1.662 179.100 177.300 0.229 0.000 1.150 129 P CA 1.961 65.132 63.100 0.119 0.000 0.843 129 P CB 0.014 31.753 31.700 0.065 0.000 0.787 130 T N -4.262 110.376 114.554 0.139 0.000 3.100 130 T HA 0.330 4.653 4.350 -0.046 0.000 0.253 130 T C 0.923 175.633 174.700 0.017 0.000 1.118 130 T CA -0.015 62.128 62.100 0.073 0.000 1.058 130 T CB -0.775 68.079 68.868 -0.023 0.000 0.953 130 T HN 0.060 nan 8.240 nan 0.000 0.515 131 A N 1.696 124.561 122.820 0.075 0.000 2.531 131 A HA 0.246 4.539 4.320 -0.046 0.000 0.236 131 A C 1.409 178.987 177.584 -0.011 0.000 1.062 131 A CA -0.168 51.822 52.037 -0.079 0.000 0.760 131 A CB 0.219 19.073 19.000 -0.243 0.000 0.995 131 A HN 0.477 nan 8.150 nan 0.000 0.501 132 K N 1.081 121.326 120.400 -0.257 0.000 2.097 132 K HA -0.081 4.212 4.320 -0.046 0.000 0.205 132 K C 0.410 176.951 176.600 -0.097 0.000 1.050 132 K CA 1.135 57.158 56.287 -0.439 0.000 0.938 132 K CB -0.007 31.799 32.500 -1.156 0.000 0.718 132 K HN 0.693 nan 8.250 nan 0.000 0.442 133 R N 0.379 120.802 120.500 -0.128 0.000 2.589 133 R HA 0.347 4.660 4.340 -0.046 0.000 0.293 133 R C -1.039 175.124 176.300 -0.229 0.000 0.963 133 R CA -0.567 55.532 56.100 -0.001 0.000 0.905 133 R CB 1.557 31.869 30.300 0.021 0.000 1.144 133 R HN 0.080 nan 8.270 nan 0.000 0.459 134 H N 0.570 119.641 119.070 0.000 0.000 2.806 134 H HA 0.272 4.800 4.556 -0.046 0.000 0.367 134 H C -1.220 174.041 175.328 -0.113 0.000 1.136 134 H CA -0.865 55.148 56.048 -0.057 0.000 1.178 134 H CB 1.680 31.402 29.762 -0.066 0.000 1.718 134 H HN 0.236 nan 8.280 nan 0.000 0.540 135 L N 3.227 124.403 121.223 -0.079 0.000 2.331 135 L HA 0.467 4.779 4.340 -0.046 0.000 0.278 135 L C -1.101 175.684 176.870 -0.143 0.000 1.106 135 L CA -0.186 54.482 54.840 -0.287 0.000 0.824 135 L CB 0.516 42.302 42.059 -0.455 0.000 1.142 135 L HN 0.449 nan 8.230 nan 0.000 0.443 136 V N 6.641 126.448 119.914 -0.178 0.000 2.487 136 V HA 0.445 4.537 4.120 -0.046 0.000 0.298 136 V C -0.035 175.951 176.094 -0.181 0.000 1.028 136 V CA -0.625 61.581 62.300 -0.157 0.000 0.860 136 V CB 1.496 33.206 31.823 -0.188 0.000 0.991 136 V HN 0.638 nan 8.190 nan 0.000 0.427 137 L N 4.252 125.371 121.223 -0.175 0.000 2.325 137 L HA 0.968 5.281 4.340 -0.046 0.000 0.278 137 L C 0.159 176.859 176.870 -0.283 0.000 1.023 137 L CA -0.378 54.347 54.840 -0.191 0.000 0.811 137 L CB 1.732 43.697 42.059 -0.156 0.000 1.249 137 L HN 0.778 nan 8.230 nan 0.000 0.431 138 A N 1.865 124.543 122.820 -0.237 0.000 2.609 138 A HA 0.876 5.168 4.320 -0.046 0.000 0.291 138 A C -0.916 176.607 177.584 -0.101 0.000 1.096 138 A CA -0.496 51.372 52.037 -0.281 0.000 0.684 138 A CB 1.772 20.669 19.000 -0.172 0.000 1.282 138 A HN 0.971 nan 8.150 nan 0.000 0.412 139 C N -0.767 118.502 119.300 -0.051 0.000 3.284 139 C HA 0.904 5.336 4.460 -0.046 0.000 0.348 139 C C -0.742 174.475 174.990 0.377 0.000 1.448 139 C CA -0.556 58.558 59.018 0.160 0.000 1.223 139 C CB 0.538 28.307 27.740 0.049 0.000 1.588 139 C HN 1.639 nan 8.230 nan 0.000 0.451 140 H N -0.761 118.516 119.070 0.345 0.000 2.472 140 H HA 0.656 5.184 4.556 -0.046 0.000 0.338 140 H C -0.146 175.406 175.328 0.372 0.000 1.133 140 H CA -0.257 56.031 56.048 0.400 0.000 1.216 140 H CB 0.852 30.798 29.762 0.307 0.000 1.497 140 H HN 0.886 nan 8.280 nan 0.000 0.500 141 Y N 0.771 121.252 120.300 0.302 0.000 2.449 141 Y HA 0.185 4.707 4.550 -0.046 0.000 0.254 141 Y C -0.282 175.731 175.900 0.188 0.000 1.140 141 Y CA -0.835 57.365 58.100 0.165 0.000 1.272 141 Y CB -0.058 38.498 38.460 0.160 0.000 1.114 141 Y HN 0.674 nan 8.280 nan 0.000 0.525 142 D N 1.776 122.090 120.400 -0.144 0.000 2.358 142 D HA 0.251 4.863 4.640 -0.046 0.000 0.244 142 D C -0.190 176.240 176.300 0.217 0.000 1.163 142 D CA 0.061 54.025 54.000 -0.061 0.000 0.945 142 D CB 1.738 42.525 40.800 -0.023 0.000 1.152 142 D HN 0.297 nan 8.370 nan 0.000 0.451 143 S N -0.987 114.839 115.700 0.209 0.000 2.566 143 S HA 0.378 4.820 4.470 -0.046 0.000 0.298 143 S C -0.216 174.566 174.600 0.303 0.000 1.083 143 S CA -1.156 57.240 58.200 0.327 0.000 0.978 143 S CB 2.103 65.474 63.200 0.285 0.000 1.073 143 S HN 0.574 nan 8.310 nan 0.000 0.491 144 K N 1.156 121.740 120.400 0.305 0.000 2.412 144 K HA 0.082 4.374 4.320 -0.046 0.000 0.281 144 K C -0.890 175.576 176.600 -0.222 0.000 1.027 144 K CA -0.404 55.793 56.287 -0.149 0.000 0.989 144 K CB 0.154 32.301 32.500 -0.589 0.000 0.935 144 K HN 0.707 nan 8.250 nan 0.000 0.475 145 Y N 4.851 124.881 120.300 -0.450 0.000 2.442 145 Y HA 0.206 4.729 4.550 -0.046 0.000 0.330 145 Y C -1.340 174.126 175.900 -0.723 0.000 1.129 145 Y CA 0.284 58.097 58.100 -0.479 0.000 1.365 145 Y CB 0.240 38.361 38.460 -0.566 0.000 1.233 145 Y HN 0.438 nan 8.280 nan 0.000 0.529 146 F N 3.356 122.524 119.950 -1.304 0.000 2.596 146 F HA 0.303 4.803 4.527 -0.046 0.000 0.311 146 F C -0.226 175.012 175.800 -0.938 0.000 1.116 146 F CA -1.000 56.444 58.000 -0.927 0.000 0.957 146 F CB 1.639 40.375 39.000 -0.439 0.000 1.250 146 F HN 0.507 nan 8.300 nan 0.000 0.444 147 S N 1.237 116.713 115.700 -0.374 0.000 2.572 147 S HA 0.259 4.701 4.470 -0.046 0.000 0.279 147 S C -0.299 174.411 174.600 0.183 0.000 1.341 147 S CA -0.580 57.586 58.200 -0.056 0.000 1.043 147 S CB 0.026 63.282 63.200 0.093 0.000 0.887 147 S HN 0.685 nan 8.310 nan 0.000 0.516 148 H N 0.634 119.758 119.070 0.090 0.000 2.928 148 H HA 0.105 4.634 4.556 -0.046 0.000 0.338 148 H C -0.891 174.551 175.328 0.189 0.000 1.047 148 H CA 0.056 56.180 56.048 0.127 0.000 1.435 148 H CB 0.411 30.229 29.762 0.094 0.000 1.428 148 H HN 0.760 nan 8.280 nan 0.000 0.590 149 W N 4.632 125.996 121.300 0.106 0.000 2.424 149 W HA 0.210 4.843 4.660 -0.044 0.000 0.318 149 W C -0.510 176.026 176.519 0.028 0.000 1.016 149 W CA -0.849 56.523 57.345 0.045 0.000 1.268 149 W CB 0.297 29.756 29.460 -0.002 0.000 1.297 149 W HN 0.767 nan 8.180 nan 0.000 0.428 150 N N 6.018 124.434 118.700 -0.473 0.000 2.725 150 N HA -0.337 4.375 4.740 -0.046 0.000 0.251 150 N C -0.021 175.373 175.510 -0.194 0.000 1.031 150 N CA 0.814 53.560 53.050 -0.507 0.000 0.720 150 N CB -0.880 36.990 38.487 -1.028 0.000 0.930 150 N HN 0.702 nan 8.380 nan 0.000 0.543 151 N N -1.767 116.896 118.700 -0.062 0.000 2.778 151 N HA -0.190 4.522 4.740 -0.046 0.000 0.249 151 N C -0.535 174.966 175.510 -0.014 0.000 1.069 151 N CA 1.343 54.386 53.050 -0.012 0.000 0.831 151 N CB -0.559 37.908 38.487 -0.032 0.000 1.142 151 N HN 0.590 nan 8.380 nan 0.000 0.573 152 R N 0.205 120.731 120.500 0.044 0.000 2.486 152 R HA 0.653 4.965 4.340 -0.046 0.000 0.286 152 R C -0.111 176.185 176.300 -0.007 0.000 0.999 152 R CA -0.618 55.512 56.100 0.050 0.000 0.993 152 R CB 1.797 32.200 30.300 0.170 0.000 1.084 152 R HN -0.155 nan 8.270 nan 0.000 0.487 153 V N 3.199 123.067 119.914 -0.078 0.000 2.604 153 V HA 0.267 4.359 4.120 -0.046 0.000 0.305 153 V C -0.713 175.403 176.094 0.038 0.000 1.043 153 V CA -0.835 61.397 62.300 -0.113 0.000 0.888 153 V CB 1.670 33.330 31.823 -0.271 0.000 0.995 153 V HN 0.560 nan 8.190 nan 0.000 0.429 154 F N 5.466 125.411 119.950 -0.009 0.000 2.445 154 F HA 0.409 4.908 4.527 -0.047 0.000 0.359 154 F C 0.919 176.750 175.800 0.052 0.000 1.101 154 F CA -0.057 57.948 58.000 0.008 0.000 1.177 154 F CB 1.391 40.455 39.000 0.106 0.000 1.110 154 F HN 0.336 nan 8.300 nan 0.000 0.522 155 V N 3.385 122.934 119.914 -0.608 0.000 3.528 155 V HA 0.385 4.478 4.120 -0.046 0.000 0.294 155 V C 0.987 176.729 176.094 -0.587 0.000 1.404 155 V CA 0.186 62.229 62.300 -0.429 0.000 1.065 155 V CB -0.358 31.325 31.823 -0.232 0.000 0.904 155 V HN 1.252 nan 8.190 nan 0.000 0.435 156 G N 1.261 109.301 108.800 -1.266 0.000 2.372 156 G HA2 -0.166 3.767 3.960 -0.046 0.000 0.290 156 G HA3 -0.166 3.767 3.960 -0.046 0.000 0.290 156 G C 0.991 175.730 174.900 -0.267 0.000 0.965 156 G CA 0.739 45.442 45.100 -0.662 0.000 1.263 156 G HN 1.424 nan 8.290 nan 0.000 0.498 157 A N 0.558 123.227 122.820 -0.251 0.000 1.877 157 A HA 0.031 4.323 4.320 -0.046 0.000 0.216 157 A C 2.657 180.187 177.584 -0.089 0.000 1.186 157 A CA 2.721 54.665 52.037 -0.155 0.000 0.620 157 A CB -0.630 18.296 19.000 -0.124 0.000 0.822 157 A HN 1.639 nan 8.150 nan 0.000 0.443 158 T N -3.575 110.965 114.554 -0.024 0.000 3.088 158 T HA 0.076 4.398 4.350 -0.046 0.000 0.259 158 T C 0.322 175.054 174.700 0.053 0.000 1.122 158 T CA 1.000 63.113 62.100 0.023 0.000 1.095 158 T CB 0.003 68.913 68.868 0.070 0.000 0.930 158 T HN 0.269 nan 8.240 nan 0.000 0.508 159 D N 0.788 121.231 120.400 0.071 0.000 2.441 159 D HA 0.375 4.987 4.640 -0.046 0.000 0.287 159 D C -0.757 175.592 176.300 0.081 0.000 1.198 159 D CA -0.509 53.598 54.000 0.178 0.000 0.894 159 D CB 0.387 41.399 40.800 0.354 0.000 1.070 159 D HN 0.074 nan 8.370 nan 0.000 0.499 160 S N 0.792 116.354 115.700 -0.230 0.000 2.665 160 S HA 0.369 4.811 4.470 -0.046 0.000 0.235 160 S C 1.260 175.792 174.600 -0.113 0.000 1.084 160 S CA -0.039 58.054 58.200 -0.178 0.000 1.151 160 S CB 0.929 63.958 63.200 -0.286 0.000 1.151 160 S HN 0.458 nan 8.310 nan 0.000 0.461 161 A N 0.808 123.571 122.820 -0.094 0.000 1.908 161 A HA -0.050 4.242 4.320 -0.046 0.000 0.218 161 A C 2.043 179.573 177.584 -0.090 0.000 1.181 161 A CA 1.772 53.758 52.037 -0.084 0.000 0.627 161 A CB -0.643 18.282 19.000 -0.125 0.000 0.818 161 A HN 0.446 nan 8.150 nan 0.000 0.445 162 V N 0.340 120.191 119.914 -0.106 0.000 2.261 162 V HA -0.162 3.930 4.120 -0.046 0.000 0.246 162 V C -0.043 176.027 176.094 -0.040 0.000 1.047 162 V CA 2.556 64.790 62.300 -0.110 0.000 1.015 162 V CB -1.427 30.338 31.823 -0.098 0.000 0.642 162 V HN 0.352 nan 8.190 nan 0.000 0.446 163 P HA -0.149 nan 4.420 nan 0.000 0.216 163 P C 1.849 179.170 177.300 0.036 0.000 1.153 163 P CA 1.746 64.855 63.100 0.015 0.000 0.858 163 P CB -0.194 31.523 31.700 0.027 0.000 0.789 164 C N -0.727 118.617 119.300 0.073 0.000 2.413 164 C HA -0.102 4.330 4.460 -0.046 0.000 0.276 164 C C 2.893 177.968 174.990 0.142 0.000 1.236 164 C CA 1.404 60.545 59.018 0.205 0.000 1.735 164 C CB -1.823 26.032 27.740 0.190 0.000 2.031 164 C HN 0.233 nan 8.230 nan 0.000 0.474 165 A N -0.234 122.609 122.820 0.038 0.000 1.969 165 A HA -0.148 4.145 4.320 -0.046 0.000 0.218 165 A C 2.101 179.693 177.584 0.013 0.000 1.169 165 A CA 1.697 53.735 52.037 0.002 0.000 0.635 165 A CB -0.523 18.426 19.000 -0.084 0.000 0.810 165 A HN 0.638 nan 8.150 nan 0.000 0.445 166 M N -1.387 118.222 119.600 0.015 0.000 2.175 166 M HA -0.092 4.361 4.480 -0.046 0.000 0.264 166 M C 2.327 178.642 176.300 0.025 0.000 1.063 166 M CA 1.570 56.884 55.300 0.023 0.000 1.119 166 M CB -0.392 32.220 32.600 0.020 0.000 1.377 166 M HN 0.397 nan 8.290 nan 0.000 0.415 167 M N -0.089 119.526 119.600 0.024 0.000 2.132 167 M HA -0.172 4.280 4.480 -0.046 0.000 0.263 167 M C 2.037 178.353 176.300 0.026 0.000 1.065 167 M CA 1.495 56.795 55.300 0.001 0.000 1.122 167 M CB -0.373 32.180 32.600 -0.078 0.000 1.365 167 M HN 0.260 nan 8.290 nan 0.000 0.411 168 L N -0.403 120.847 121.223 0.045 0.000 2.056 168 L HA -0.191 4.122 4.340 -0.046 0.000 0.207 168 L C 2.506 179.367 176.870 -0.017 0.000 1.078 168 L CA 1.126 55.949 54.840 -0.028 0.000 0.749 168 L CB -0.650 41.362 42.059 -0.079 0.000 0.901 168 L HN 0.272 nan 8.230 nan 0.000 0.433 169 E N 0.918 121.127 120.200 0.014 0.000 2.150 169 E HA -0.235 4.088 4.350 -0.046 0.000 0.193 169 E C 2.096 178.725 176.600 0.049 0.000 0.985 169 E CA 1.133 57.553 56.400 0.034 0.000 0.814 169 E CB -0.262 29.467 29.700 0.048 0.000 0.752 169 E HN 0.409 nan 8.360 nan 0.000 0.466 170 L N -0.251 121.003 121.223 0.051 0.000 2.027 170 L HA -0.038 4.275 4.340 -0.046 0.000 0.206 170 L C 2.320 179.251 176.870 0.102 0.000 1.074 170 L CA 1.772 56.656 54.840 0.074 0.000 0.745 170 L CB -0.560 41.541 42.059 0.069 0.000 0.898 170 L HN 0.228 nan 8.230 nan 0.000 0.433 171 A N -0.002 122.870 122.820 0.088 0.000 1.908 171 A HA -0.267 4.026 4.320 -0.046 0.000 0.218 171 A C 2.496 180.171 177.584 0.151 0.000 1.181 171 A CA 1.929 54.061 52.037 0.159 0.000 0.627 171 A CB -0.713 18.270 19.000 -0.029 0.000 0.818 171 A HN 0.545 nan 8.150 nan 0.000 0.445 172 R N -0.453 120.091 120.500 0.074 0.000 2.062 172 R HA -0.077 4.236 4.340 -0.046 0.000 0.231 172 R C 2.349 178.696 176.300 0.079 0.000 1.136 172 R CA 1.458 57.599 56.100 0.068 0.000 0.948 172 R CB -0.459 29.863 30.300 0.036 0.000 0.845 172 R HN 0.419 nan 8.270 nan 0.000 0.430 173 A N 0.965 123.830 122.820 0.074 0.000 1.972 173 A HA -0.082 4.210 4.320 -0.046 0.000 0.219 173 A C 1.945 179.575 177.584 0.076 0.000 1.169 173 A CA 1.133 53.213 52.037 0.071 0.000 0.635 173 A CB -0.268 18.773 19.000 0.069 0.000 0.810 173 A HN 0.376 nan 8.150 nan 0.000 0.446 174 L N -0.764 120.516 121.223 0.095 0.000 2.653 174 L HA 0.081 4.394 4.340 -0.046 0.000 0.231 174 L C 1.515 178.443 176.870 0.096 0.000 1.153 174 L CA 0.207 55.102 54.840 0.092 0.000 0.933 174 L CB -0.163 41.959 42.059 0.105 0.000 1.175 174 L HN 0.270 nan 8.230 nan 0.000 0.473 175 D N 1.532 121.998 120.400 0.109 0.000 2.116 175 D HA -0.272 4.341 4.640 -0.046 0.000 0.193 175 D C 2.155 178.492 176.300 0.063 0.000 0.998 175 D CA 1.578 55.647 54.000 0.115 0.000 0.836 175 D CB 0.267 41.139 40.800 0.119 0.000 0.951 175 D HN 0.166 nan 8.370 nan 0.000 0.449 176 K N 0.073 120.503 120.400 0.049 0.000 2.063 176 K HA -0.180 4.112 4.320 -0.046 0.000 0.208 176 K C 2.029 178.639 176.600 0.018 0.000 1.048 176 K CA 1.278 57.583 56.287 0.029 0.000 0.928 176 K CB 0.048 32.564 32.500 0.027 0.000 0.713 176 K HN 0.027 nan 8.250 nan 0.000 0.442 177 K N 0.420 120.835 120.400 0.025 0.000 2.057 177 K HA -0.061 4.232 4.320 -0.046 0.000 0.206 177 K C 2.050 178.649 176.600 -0.002 0.000 1.050 177 K CA 1.243 57.540 56.287 0.016 0.000 0.935 177 K CB -0.045 32.472 32.500 0.029 0.000 0.715 177 K HN 0.138 nan 8.250 nan 0.000 0.439 178 L N 0.709 121.930 121.223 -0.003 0.000 2.201 178 L HA -0.135 4.178 4.340 -0.046 0.000 0.212 178 L C 2.238 179.043 176.870 -0.109 0.000 1.105 178 L CA 0.249 55.051 54.840 -0.063 0.000 0.775 178 L CB -0.344 41.676 42.059 -0.064 0.000 0.913 178 L HN 0.169 nan 8.230 nan 0.000 0.440 179 L N 0.183 121.367 121.223 -0.066 0.000 2.127 179 L HA -0.205 4.108 4.340 -0.046 0.000 0.211 179 L C 2.722 179.553 176.870 -0.064 0.000 1.089 179 L CA 2.032 56.831 54.840 -0.069 0.000 0.757 179 L CB -0.566 41.477 42.059 -0.028 0.000 0.899 179 L HN 0.354 nan 8.230 nan 0.000 0.434 180 S N -1.383 114.288 115.700 -0.048 0.000 2.474 180 S HA -0.128 4.314 4.470 -0.046 0.000 0.235 180 S C 1.822 176.389 174.600 -0.054 0.000 0.997 180 S CA 1.076 59.253 58.200 -0.040 0.000 0.949 180 S CB -0.797 62.390 63.200 -0.022 0.000 0.766 180 S HN 0.543 nan 8.310 nan 0.000 0.517 181 L N 0.560 121.735 121.223 -0.080 0.000 2.478 181 L HA 0.215 4.528 4.340 -0.046 0.000 0.223 181 L C 1.584 178.396 176.870 -0.097 0.000 1.140 181 L CA 0.255 55.040 54.840 -0.093 0.000 0.842 181 L CB -0.375 41.609 42.059 -0.124 0.000 0.953 181 L HN 0.285 nan 8.230 nan 0.000 0.452 190 D N 2.240 122.577 120.400 -0.104 0.000 2.671 190 D HA 0.253 4.865 4.640 -0.046 0.000 0.228 190 D C -0.734 175.448 176.300 -0.197 0.000 1.102 190 D CA 0.115 54.023 54.000 -0.153 0.000 1.044 190 D CB -0.058 40.632 40.800 -0.184 0.000 1.113 190 D HN 0.199 nan 8.370 nan 0.000 0.480 191 L N 0.903 122.005 121.223 -0.202 0.000 2.410 191 L HA 0.607 4.920 4.340 -0.046 0.000 0.270 191 L C -0.789 175.923 176.870 -0.264 0.000 0.983 191 L CA -0.229 54.463 54.840 -0.246 0.000 0.822 191 L CB 1.916 43.853 42.059 -0.203 0.000 1.285 191 L HN 0.017 nan 8.230 nan 0.000 0.409 192 S N 3.237 118.694 115.700 -0.405 0.000 2.998 192 S HA 0.803 5.246 4.470 -0.046 0.000 0.323 192 S C -1.783 172.763 174.600 -0.089 0.000 1.141 192 S CA -0.486 57.554 58.200 -0.267 0.000 0.873 192 S CB 0.977 64.023 63.200 -0.256 0.000 1.315 192 S HN 0.755 nan 8.310 nan 0.000 0.637 193 L N 1.993 123.261 121.223 0.074 0.000 2.362 193 L HA 0.718 5.031 4.340 -0.046 0.000 0.271 193 L C -0.819 176.197 176.870 0.244 0.000 1.002 193 L CA -0.025 54.896 54.840 0.135 0.000 0.818 193 L CB 1.756 43.858 42.059 0.071 0.000 1.298 193 L HN 0.766 nan 8.230 nan 0.000 0.420 194 Q N 3.563 123.465 119.800 0.171 0.000 2.359 194 Q HA 0.663 4.976 4.340 -0.046 0.000 0.274 194 Q C -2.109 173.908 176.000 0.028 0.000 1.074 194 Q CA -0.685 55.181 55.803 0.106 0.000 0.810 194 Q CB 2.027 30.696 28.738 -0.116 0.000 1.342 194 Q HN 0.740 nan 8.270 nan 0.000 0.427 195 L N 4.242 125.460 121.223 -0.008 0.000 2.346 195 L HA 0.635 4.948 4.340 -0.046 0.000 0.276 195 L C -0.701 175.951 176.870 -0.364 0.000 1.006 195 L CA -0.809 53.873 54.840 -0.264 0.000 0.817 195 L CB 1.798 43.663 42.059 -0.324 0.000 1.272 195 L HN 0.589 nan 8.230 nan 0.000 0.421 196 I N 2.367 122.585 120.570 -0.587 0.000 2.466 196 I HA 0.363 4.505 4.170 -0.046 0.000 0.289 196 I C -1.135 174.506 176.117 -0.795 0.000 1.026 196 I CA -0.260 60.681 61.300 -0.599 0.000 1.078 196 I CB 2.006 39.540 38.000 -0.775 0.000 1.249 196 I HN 0.353 nan 8.210 nan 0.000 0.429 197 F N 5.936 125.709 119.950 -0.295 0.000 2.347 197 F HA 0.451 4.951 4.527 -0.045 0.000 0.366 197 F C -0.198 175.699 175.800 0.162 0.000 1.107 197 F CA -0.593 57.378 58.000 -0.049 0.000 1.058 197 F CB 0.588 39.546 39.000 -0.070 0.000 1.236 197 F HN 0.168 nan 8.300 nan 0.000 0.456 198 F N 1.589 121.816 119.950 0.461 0.000 2.429 198 F HA 0.218 4.717 4.527 -0.046 0.000 0.348 198 F C 0.699 176.754 175.800 0.425 0.000 1.109 198 F CA -0.379 57.882 58.000 0.435 0.000 1.232 198 F CB 0.437 39.631 39.000 0.323 0.000 1.157 198 F HN 0.360 nan 8.300 nan 0.000 0.564 199 D N 0.557 121.311 120.400 0.589 0.000 2.332 199 D HA 0.387 4.999 4.640 -0.046 0.000 0.252 199 D C 0.809 177.328 176.300 0.365 0.000 1.050 199 D CA 0.257 54.401 54.000 0.240 0.000 0.970 199 D CB 1.480 42.498 40.800 0.363 0.000 1.141 199 D HN 0.739 nan 8.370 nan 0.000 0.485 200 G N 1.766 110.754 108.800 0.312 0.000 2.283 200 G HA2 -0.320 3.612 3.960 -0.046 0.000 0.280 200 G HA3 -0.320 3.612 3.960 -0.046 0.000 0.280 200 G C 0.878 175.932 174.900 0.257 0.000 1.029 200 G CA 0.907 46.231 45.100 0.373 0.000 0.840 200 G HN 0.558 nan 8.290 nan 0.000 0.505 201 Q N -0.395 119.472 119.800 0.112 0.000 2.119 201 Q HA -0.069 4.244 4.340 -0.046 0.000 0.201 201 Q C 0.955 176.926 176.000 -0.048 0.000 0.972 201 Q CA 1.077 56.853 55.803 -0.045 0.000 0.847 201 Q CB 0.025 28.556 28.738 -0.345 0.000 0.903 201 Q HN 0.700 nan 8.270 nan 0.000 0.433 202 E N 0.598 120.755 120.200 -0.073 0.000 2.366 202 E HA 0.293 4.616 4.350 -0.046 0.000 0.266 202 E C -0.657 175.921 176.600 -0.038 0.000 1.051 202 E CA 0.003 56.365 56.400 -0.063 0.000 0.884 202 E CB 0.981 30.600 29.700 -0.135 0.000 1.006 202 E HN 0.291 nan 8.360 nan 0.000 0.417 203 A N 2.350 125.172 122.820 0.003 0.000 2.445 203 A HA 0.129 4.422 4.320 -0.046 0.000 0.242 203 A C 0.478 178.009 177.584 -0.088 0.000 1.075 203 A CA -0.139 51.920 52.037 0.036 0.000 0.777 203 A CB -0.017 19.024 19.000 0.069 0.000 1.013 203 A HN 0.631 nan 8.150 nan 0.000 0.493 204 F N 0.747 120.772 119.950 0.124 0.000 2.325 204 F HA 0.011 4.511 4.527 -0.045 0.000 0.299 204 F C 1.337 177.139 175.800 0.005 0.000 1.090 204 F CA 1.141 59.194 58.000 0.089 0.000 1.392 204 F CB -0.143 38.955 39.000 0.164 0.000 1.053 204 F HN 0.413 nan 8.300 nan 0.000 0.521 205 L N -2.234 119.050 121.223 0.100 0.000 2.666 205 L HA 0.257 4.570 4.340 -0.046 0.000 0.213 205 L C 0.158 176.948 176.870 -0.132 0.000 1.734 205 L CA -0.751 54.070 54.840 -0.031 0.000 2.979 205 L CB -0.394 41.662 42.059 -0.005 0.000 2.784 205 L HN -0.210 nan 8.230 nan 0.000 0.797 206 H N -1.214 117.883 119.070 0.045 0.000 2.533 206 H HA 0.105 4.634 4.556 -0.045 0.000 0.343 206 H C -1.220 174.189 175.328 0.134 0.000 1.160 206 H CA -1.053 55.059 56.048 0.108 0.000 1.218 206 H CB 1.391 31.238 29.762 0.142 0.000 1.566 206 H HN 0.343 nan 8.280 nan 0.000 0.522 207 W N 3.334 124.780 121.300 0.243 0.000 2.409 207 W HA 0.099 4.735 4.660 -0.042 0.000 0.338 207 W C -0.246 176.333 176.519 0.100 0.000 1.273 207 W CA 0.777 58.210 57.345 0.147 0.000 1.299 207 W CB 0.280 29.843 29.460 0.172 0.000 1.192 207 W HN 0.488 nan 8.180 nan 0.000 0.565 208 S N 4.032 118.997 115.700 -1.225 0.000 2.596 208 S HA 0.506 4.948 4.470 -0.046 0.000 0.270 208 S C -2.368 171.237 174.600 -1.660 0.000 1.155 208 S CA -1.335 56.016 58.200 -1.415 0.000 0.827 208 S CB 2.144 65.014 63.200 -0.550 0.000 1.130 208 S HN 0.266 nan 8.310 nan 0.000 0.467 209 P HA -0.040 nan 4.420 nan 0.000 0.218 209 P C 0.808 177.852 177.300 -0.426 0.000 1.148 209 P CA 1.373 64.130 63.100 -0.571 0.000 0.822 209 P CB 0.027 31.565 31.700 -0.270 0.000 0.784 210 Q N -1.740 117.824 119.800 -0.393 0.000 2.402 210 Q HA 0.058 4.370 4.340 -0.046 0.000 0.206 210 Q C 0.328 176.126 176.000 -0.337 0.000 0.919 210 Q CA 0.584 56.214 55.803 -0.288 0.000 0.923 210 Q CB -0.125 28.512 28.738 -0.168 0.000 1.048 210 Q HN 0.125 nan 8.270 nan 0.000 0.515 211 D N 0.795 120.964 120.400 -0.384 0.000 2.460 211 D HA 0.363 4.976 4.640 -0.046 0.000 0.268 211 D C -1.168 174.923 176.300 -0.349 0.000 1.153 211 D CA -0.271 53.592 54.000 -0.230 0.000 0.929 211 D CB 0.064 40.845 40.800 -0.031 0.000 1.015 211 D HN 0.084 nan 8.370 nan 0.000 0.502 212 S N 1.225 116.549 115.700 -0.625 0.000 2.735 212 S HA 0.154 4.597 4.470 -0.046 0.000 0.276 212 S C -0.220 174.109 174.600 -0.451 0.000 0.957 212 S CA -0.852 57.153 58.200 -0.325 0.000 0.933 212 S CB -0.291 62.866 63.200 -0.072 0.000 1.182 212 S HN 0.469 nan 8.310 nan 0.000 0.459 213 L N 0.244 121.359 121.223 -0.179 0.000 3.737 213 L HA -0.280 4.033 4.340 -0.046 0.000 0.418 213 L C 0.906 177.657 176.870 -0.198 0.000 1.216 213 L CA 0.747 55.488 54.840 -0.164 0.000 0.915 213 L CB -2.404 39.564 42.059 -0.151 0.000 1.834 213 L HN 0.820 nan 8.230 nan 0.000 0.943 214 Y N 0.424 120.654 120.300 -0.116 0.000 2.114 214 Y HA -0.162 4.361 4.550 -0.045 0.000 0.284 214 Y C 2.473 178.361 175.900 -0.021 0.000 1.143 214 Y CA 2.094 60.080 58.100 -0.189 0.000 1.135 214 Y CB -0.463 37.593 38.460 -0.673 0.000 0.980 214 Y HN 0.368 nan 8.280 nan 0.000 0.499 215 G N -0.714 108.275 108.800 0.314 0.000 2.418 215 G HA2 -0.267 3.666 3.960 -0.046 0.000 0.217 215 G HA3 -0.267 3.666 3.960 -0.046 0.000 0.217 215 G C 1.831 176.892 174.900 0.269 0.000 1.158 215 G CA 1.378 46.759 45.100 0.468 0.000 0.771 215 G HN 0.483 nan 8.290 nan 0.000 0.545 216 S N 0.458 116.134 115.700 -0.041 0.000 2.387 216 S HA 0.001 4.444 4.470 -0.046 0.000 0.226 216 S C 2.225 176.686 174.600 -0.233 0.000 1.026 216 S CA 0.858 58.905 58.200 -0.254 0.000 0.972 216 S CB -0.296 62.481 63.200 -0.704 0.000 0.814 216 S HN 0.394 nan 8.310 nan 0.000 0.477 217 R N 0.291 120.654 120.500 -0.229 0.000 2.081 217 R HA -0.106 4.207 4.340 -0.046 0.000 0.235 217 R C 2.489 178.626 176.300 -0.272 0.000 1.131 217 R CA 1.716 57.657 56.100 -0.265 0.000 0.960 217 R CB -0.548 29.621 30.300 -0.217 0.000 0.856 217 R HN 0.698 nan 8.270 nan 0.000 0.436 218 H N 0.491 119.329 119.070 -0.387 0.000 2.326 218 H HA -0.097 4.431 4.556 -0.046 0.000 0.301 218 H C 1.884 176.998 175.328 -0.358 0.000 1.081 218 H CA 1.507 57.238 56.048 -0.528 0.000 1.334 218 H CB -0.121 28.893 29.762 -1.247 0.000 1.385 218 H HN 0.062 nan 8.280 nan 0.000 0.504 219 L N 0.531 121.628 121.223 -0.210 0.000 2.056 219 L HA 0.038 4.351 4.340 -0.046 0.000 0.207 219 L C 2.462 179.224 176.870 -0.180 0.000 1.078 219 L CA 1.882 56.674 54.840 -0.081 0.000 0.749 219 L CB -1.321 40.964 42.059 0.376 0.000 0.901 219 L HN 0.442 nan 8.230 nan 0.000 0.433 220 A N -0.497 122.067 122.820 -0.427 0.000 1.908 220 A HA -0.140 4.153 4.320 -0.046 0.000 0.218 220 A C 2.447 179.766 177.584 -0.442 0.000 1.181 220 A CA 1.894 53.452 52.037 -0.799 0.000 0.627 220 A CB -1.130 17.043 19.000 -1.378 0.000 0.818 220 A HN 0.555 nan 8.150 nan 0.000 0.445 221 A N -0.503 122.076 122.820 -0.401 0.000 1.930 221 A HA -0.138 4.155 4.320 -0.046 0.000 0.217 221 A C 2.148 179.568 177.584 -0.274 0.000 1.175 221 A CA 1.898 53.751 52.037 -0.307 0.000 0.627 221 A CB -0.402 18.425 19.000 -0.288 0.000 0.815 221 A HN 0.543 nan 8.150 nan 0.000 0.443 222 K N -0.840 119.352 120.400 -0.348 0.000 2.057 222 K HA -0.042 4.251 4.320 -0.046 0.000 0.206 222 K C 2.043 178.551 176.600 -0.153 0.000 1.050 222 K CA 1.476 57.601 56.287 -0.271 0.000 0.935 222 K CB -0.226 32.053 32.500 -0.369 0.000 0.715 222 K HN 0.502 nan 8.250 nan 0.000 0.439 223 M N 0.094 119.618 119.600 -0.126 0.000 2.229 223 M HA -0.083 4.370 4.480 -0.046 0.000 0.264 223 M C 2.249 178.493 176.300 -0.093 0.000 1.063 223 M CA 1.355 56.617 55.300 -0.063 0.000 1.114 223 M CB -0.140 32.477 32.600 0.027 0.000 1.387 223 M HN 0.217 nan 8.290 nan 0.000 0.420 224 A N 0.164 122.902 122.820 -0.138 0.000 2.019 224 A HA -0.113 4.180 4.320 -0.046 0.000 0.219 224 A C 2.058 179.566 177.584 -0.126 0.000 1.164 224 A CA 1.875 53.818 52.037 -0.156 0.000 0.644 224 A CB -0.601 18.299 19.000 -0.166 0.000 0.805 224 A HN 0.561 nan 8.150 nan 0.000 0.449 225 S N -1.550 114.089 115.700 -0.103 0.000 2.574 225 S HA 0.271 4.713 4.470 -0.046 0.000 0.242 225 S C 0.046 174.624 174.600 -0.037 0.000 0.982 225 S CA -0.085 58.075 58.200 -0.068 0.000 0.977 225 S CB -0.154 63.003 63.200 -0.072 0.000 0.814 225 S HN 0.165 nan 8.310 nan 0.000 0.464 226 T N 4.694 119.230 114.554 -0.029 0.000 2.791 226 T HA 0.493 4.815 4.350 -0.046 0.000 0.288 226 T C -2.963 171.771 174.700 0.057 0.000 0.999 226 T CA -1.479 60.629 62.100 0.013 0.000 0.952 226 T CB 1.559 70.434 68.868 0.011 0.000 0.938 226 T HN 0.076 nan 8.240 nan 0.000 0.444 227 P HA 0.269 nan 4.420 nan 0.000 0.268 227 P C -0.802 176.619 177.300 0.201 0.000 1.205 227 P CA -0.032 63.141 63.100 0.122 0.000 0.771 227 P CB 0.382 32.135 31.700 0.089 0.000 0.858 228 H N 2.027 121.177 119.070 0.134 0.000 3.029 228 H HA 0.386 4.914 4.556 -0.046 0.000 0.358 228 H C -2.769 172.704 175.328 0.241 0.000 1.129 228 H CA -1.887 54.250 56.048 0.148 0.000 1.230 228 H CB 1.638 31.495 29.762 0.159 0.000 1.827 228 H HN 0.214 nan 8.280 nan 0.000 0.530 229 P HA 0.179 nan 4.420 nan 0.000 0.274 229 P C -2.600 174.555 177.300 -0.242 0.000 1.256 229 P CA -1.525 61.083 63.100 -0.821 0.000 0.795 229 P CB -0.112 31.193 31.700 -0.659 0.000 1.038 230 P HA -0.022 nan 4.420 nan 0.000 0.261 230 P C 1.046 178.330 177.300 -0.027 0.000 1.173 230 P CA 1.920 65.002 63.100 -0.030 0.000 0.760 230 P CB -0.468 31.220 31.700 -0.020 0.000 0.783 231 G N 1.678 110.482 108.800 0.007 0.000 2.176 231 G HA2 -0.200 3.732 3.960 -0.046 0.000 0.253 231 G HA3 -0.200 3.732 3.960 -0.046 0.000 0.253 231 G C 0.481 175.399 174.900 0.030 0.000 0.979 231 G CA -0.020 45.089 45.100 0.014 0.000 0.641 231 G HN 0.851 nan 8.290 nan 0.000 0.530 232 A N -0.140 122.708 122.820 0.046 0.000 2.425 232 A HA 0.674 4.966 4.320 -0.046 0.000 0.242 232 A C 1.358 178.993 177.584 0.085 0.000 1.077 232 A CA 1.014 53.103 52.037 0.087 0.000 0.781 232 A CB 0.215 19.308 19.000 0.155 0.000 1.020 232 A HN 0.498 nan 8.150 nan 0.000 0.494 233 R N 1.389 121.941 120.500 0.087 0.000 2.112 233 R HA 0.094 4.406 4.340 -0.046 0.000 0.216 233 R C 1.263 177.609 176.300 0.076 0.000 1.080 233 R CA 1.080 57.221 56.100 0.069 0.000 0.996 233 R CB 0.271 30.605 30.300 0.056 0.000 0.902 233 R HN 0.771 nan 8.270 nan 0.000 0.449 234 G N 0.562 109.421 108.800 0.100 0.000 4.399 234 G HA2 0.030 3.963 3.960 -0.046 0.000 0.268 234 G HA3 0.030 3.963 3.960 -0.046 0.000 0.268 234 G C -0.211 174.784 174.900 0.158 0.000 1.038 234 G CA -0.191 44.969 45.100 0.099 0.000 0.811 234 G HN 0.227 nan 8.290 nan 0.000 0.408 235 T N -0.860 113.828 114.554 0.223 0.000 2.885 235 T HA 0.729 5.051 4.350 -0.046 0.000 0.285 235 T C 0.125 175.014 174.700 0.314 0.000 1.019 235 T CA -0.173 62.163 62.100 0.393 0.000 1.010 235 T CB 2.151 71.236 68.868 0.361 0.000 1.022 235 T HN 0.452 nan 8.240 nan 0.000 0.466 236 S N 1.592 117.375 115.700 0.139 0.000 2.766 236 S HA 0.353 4.796 4.470 -0.046 0.000 0.307 236 S C 1.090 175.749 174.600 0.099 0.000 1.121 236 S CA -0.984 57.208 58.200 -0.013 0.000 0.980 236 S CB 1.365 64.393 63.200 -0.287 0.000 1.159 236 S HN 0.753 nan 8.310 nan 0.000 0.546 237 Q N -0.262 119.572 119.800 0.057 0.000 2.181 237 Q HA -0.026 4.286 4.340 -0.046 0.000 0.205 237 Q C 1.787 177.791 176.000 0.006 0.000 0.980 237 Q CA 1.362 57.154 55.803 -0.018 0.000 0.862 237 Q CB -0.602 28.081 28.738 -0.093 0.000 0.905 237 Q HN 0.627 nan 8.270 nan 0.000 0.429 238 L N -0.691 120.500 121.223 -0.054 0.000 2.141 238 L HA -0.176 4.137 4.340 -0.046 0.000 0.209 238 L C 1.903 178.823 176.870 0.084 0.000 1.094 238 L CA 1.231 56.070 54.840 -0.001 0.000 0.763 238 L CB -0.530 41.492 42.059 -0.062 0.000 0.908 238 L HN 0.391 nan 8.230 nan 0.000 0.437 239 H N -0.819 118.313 119.070 0.102 0.000 2.456 239 H HA -0.086 4.442 4.556 -0.046 0.000 0.296 239 H C 2.229 177.667 175.328 0.182 0.000 1.079 239 H CA 0.572 56.648 56.048 0.048 0.000 1.322 239 H CB -0.018 29.703 29.762 -0.068 0.000 1.388 239 H HN 0.380 nan 8.280 nan 0.000 0.538 240 G N 0.370 109.454 108.800 0.474 0.000 2.598 240 G HA2 -0.100 3.832 3.960 -0.046 0.000 0.215 240 G HA3 -0.100 3.832 3.960 -0.046 0.000 0.215 240 G C 0.584 175.656 174.900 0.288 0.000 1.131 240 G CA -0.086 45.337 45.100 0.539 0.000 0.785 240 G HN 0.216 nan 8.290 nan 0.000 0.539 241 M N 1.480 121.189 119.600 0.183 0.000 2.264 241 M HA 0.181 4.634 4.480 -0.046 0.000 0.340 241 M C 0.422 176.774 176.300 0.086 0.000 1.420 241 M CA -0.332 55.025 55.300 0.094 0.000 1.254 241 M CB 1.189 33.821 32.600 0.053 0.000 1.575 241 M HN -0.080 nan 8.290 nan 0.000 0.452 242 D N 2.005 122.442 120.400 0.062 0.000 2.149 242 D HA 0.003 4.616 4.640 -0.046 0.000 0.198 242 D C -0.226 176.081 176.300 0.013 0.000 0.990 242 D CA 1.347 55.383 54.000 0.061 0.000 0.839 242 D CB 0.329 41.145 40.800 0.027 0.000 0.948 242 D HN 0.367 nan 8.370 nan 0.000 0.460 243 L N -0.708 120.458 121.223 -0.094 0.000 2.643 243 L HA 0.338 4.651 4.340 -0.046 0.000 0.257 243 L C -2.272 174.506 176.870 -0.154 0.000 0.922 243 L CA -0.854 53.916 54.840 -0.116 0.000 0.909 243 L CB 1.511 43.415 42.059 -0.259 0.000 1.424 243 L HN -0.173 nan 8.230 nan 0.000 0.422 244 L N 5.744 126.900 121.223 -0.111 0.000 2.276 244 L HA 0.719 5.031 4.340 -0.046 0.000 0.286 244 L C -1.224 175.581 176.870 -0.107 0.000 1.024 244 L CA -0.236 54.513 54.840 -0.152 0.000 0.826 244 L CB 1.528 43.472 42.059 -0.190 0.000 1.211 244 L HN 0.394 nan 8.230 nan 0.000 0.422 245 V N 6.632 126.467 119.914 -0.131 0.000 2.318 245 V HA 0.346 4.438 4.120 -0.046 0.000 0.271 245 V C -0.270 175.781 176.094 -0.072 0.000 1.030 245 V CA -0.486 61.747 62.300 -0.112 0.000 0.844 245 V CB 1.114 32.823 31.823 -0.189 0.000 1.015 245 V HN 0.645 nan 8.190 nan 0.000 0.460 246 L N 7.275 128.501 121.223 0.007 0.000 2.280 246 L HA 0.644 4.956 4.340 -0.046 0.000 0.287 246 L C -0.747 176.208 176.870 0.143 0.000 1.023 246 L CA -0.095 54.787 54.840 0.071 0.000 0.819 246 L CB 1.236 43.332 42.059 0.062 0.000 1.212 246 L HN 0.420 nan 8.230 nan 0.000 0.420 247 L N 5.189 126.470 121.223 0.097 0.000 2.307 247 L HA 0.667 4.980 4.340 -0.046 0.000 0.282 247 L C -0.371 176.596 176.870 0.163 0.000 1.051 247 L CA 0.095 54.998 54.840 0.105 0.000 0.804 247 L CB 1.311 43.392 42.059 0.037 0.000 1.197 247 L HN 0.613 nan 8.230 nan 0.000 0.431 248 D N 2.349 122.857 120.400 0.180 0.000 2.769 248 D HA 0.405 5.017 4.640 -0.046 0.000 0.219 248 D C -0.287 176.085 176.300 0.120 0.000 1.245 248 D CA -0.459 53.647 54.000 0.177 0.000 0.801 248 D CB 1.423 42.361 40.800 0.230 0.000 1.598 248 D HN 0.409 nan 8.370 nan 0.000 0.485 249 L N 1.854 123.138 121.223 0.102 0.000 3.634 249 L HA -0.222 4.091 4.340 -0.046 0.000 0.423 249 L C -0.315 176.594 176.870 0.066 0.000 1.253 249 L CA 0.509 55.386 54.840 0.063 0.000 0.885 249 L CB -1.772 40.245 42.059 -0.069 0.000 1.789 249 L HN 0.417 nan 8.230 nan 0.000 0.904 250 I N -0.353 120.270 120.570 0.089 0.000 2.437 250 I HA 0.581 4.724 4.170 -0.046 0.000 0.298 250 I C 1.250 177.397 176.117 0.050 0.000 0.984 250 I CA 0.651 62.009 61.300 0.096 0.000 1.214 250 I CB 1.649 39.736 38.000 0.144 0.000 1.365 250 I HN 0.299 nan 8.210 nan 0.000 0.469 251 G N 3.743 112.565 108.800 0.037 0.000 2.485 251 G HA2 -0.051 3.882 3.960 -0.046 0.000 0.181 251 G HA3 -0.051 3.882 3.960 -0.046 0.000 0.181 251 G C 0.113 175.046 174.900 0.055 0.000 0.999 251 G CA -0.017 45.111 45.100 0.047 0.000 0.721 251 G HN 0.847 nan 8.290 nan 0.000 0.486 252 A N 0.633 123.471 122.820 0.031 0.000 2.257 252 A HA 0.847 5.139 4.320 -0.046 0.000 0.289 252 A C -2.264 175.328 177.584 0.013 0.000 1.095 252 A CA -1.085 50.974 52.037 0.036 0.000 0.836 252 A CB 0.305 19.327 19.000 0.037 0.000 1.111 252 A HN 0.116 nan 8.150 nan 0.000 0.497 253 P HA 0.171 nan 4.420 nan 0.000 0.274 253 P C -0.695 176.617 177.300 0.019 0.000 1.231 253 P CA -0.154 62.968 63.100 0.037 0.000 0.790 253 P CB 0.217 31.944 31.700 0.045 0.000 0.951 254 N N -1.392 117.345 118.700 0.063 0.000 2.714 254 N HA -0.120 4.593 4.740 -0.046 0.000 0.252 254 N C -2.003 173.501 175.510 -0.011 0.000 1.014 254 N CA 0.420 53.512 53.050 0.070 0.000 0.735 254 N CB -1.781 36.723 38.487 0.029 0.000 0.924 254 N HN 0.439 nan 8.380 nan 0.000 0.540 255 P HA 0.126 nan 4.420 nan 0.000 0.271 255 P C -0.119 176.998 177.300 -0.306 0.000 1.218 255 P CA 0.295 63.195 63.100 -0.334 0.000 0.780 255 P CB 0.803 32.146 31.700 -0.594 0.000 0.901 256 T N -0.332 114.007 114.554 -0.358 0.000 2.847 256 T HA 0.557 4.880 4.350 -0.046 0.000 0.291 256 T C -0.584 173.994 174.700 -0.205 0.000 0.998 256 T CA -0.592 61.423 62.100 -0.143 0.000 0.967 256 T CB 0.108 68.984 68.868 0.013 0.000 0.954 256 T HN 0.069 nan 8.240 nan 0.000 0.441 257 F N 4.889 124.869 119.950 0.050 0.000 2.404 257 F HA 0.480 4.980 4.527 -0.045 0.000 0.354 257 F C -1.946 173.872 175.800 0.030 0.000 1.122 257 F CA -2.387 55.642 58.000 0.048 0.000 1.080 257 F CB 1.545 40.591 39.000 0.077 0.000 1.131 257 F HN 0.377 nan 8.300 nan 0.000 0.471 258 P HA 0.071 nan 4.420 nan 0.000 0.278 258 P C -0.770 175.861 177.300 -1.115 0.000 1.258 258 P CA -0.594 61.780 63.100 -1.210 0.000 0.811 258 P CB 0.932 31.512 31.700 -1.866 0.000 1.063 259 N N 1.021 118.898 118.700 -1.371 0.000 2.602 259 N HA 0.128 4.840 4.740 -0.046 0.000 0.238 259 N C 0.357 175.425 175.510 -0.737 0.000 1.084 259 N CA -0.225 52.002 53.050 -1.373 0.000 0.952 259 N CB -0.852 36.739 38.487 -1.493 0.000 1.244 259 N HN 0.193 nan 8.380 nan 0.000 0.512 260 F N 1.760 121.395 119.950 -0.526 0.000 2.259 260 F HA 0.166 4.671 4.527 -0.037 0.000 0.298 260 F C 0.308 175.644 175.800 -0.773 0.000 1.088 260 F CA 0.649 58.201 58.000 -0.747 0.000 1.358 260 F CB 0.102 38.337 39.000 -1.276 0.000 1.040 260 F HN 0.273 nan 8.300 nan 0.000 0.505 261 F N -0.091 119.979 119.950 0.200 0.000 2.529 261 F HA 0.364 4.867 4.527 -0.040 0.000 0.320 261 F C -1.666 174.199 175.800 0.108 0.000 1.118 261 F CA -3.127 54.967 58.000 0.156 0.000 0.915 261 F CB 0.854 39.961 39.000 0.179 0.000 1.161 261 F HN -0.358 nan 8.300 nan 0.000 0.445 262 P HA -0.153 nan 4.420 nan 0.000 0.220 262 P C 0.757 178.160 177.300 0.173 0.000 1.148 262 P CA 1.361 64.559 63.100 0.162 0.000 0.803 262 P CB 0.119 31.888 31.700 0.115 0.000 0.782 263 N N 0.074 118.899 118.700 0.208 0.000 2.461 263 N HA -0.052 4.660 4.740 -0.046 0.000 0.188 263 N C 0.857 176.516 175.510 0.248 0.000 1.134 263 N CA 0.747 53.902 53.050 0.175 0.000 0.878 263 N CB -0.874 37.689 38.487 0.127 0.000 0.972 263 N HN 0.147 nan 8.380 nan 0.000 0.456 264 S N -2.955 112.939 115.700 0.323 0.000 2.780 264 S HA 0.539 4.982 4.470 -0.046 0.000 0.248 264 S C 1.508 176.339 174.600 0.386 0.000 1.036 264 S CA -0.111 58.350 58.200 0.435 0.000 1.061 264 S CB 0.140 63.623 63.200 0.471 0.000 1.037 264 S HN 0.325 nan 8.310 nan 0.000 0.584 265 A N 3.866 126.840 122.820 0.256 0.000 1.940 265 A HA -0.177 4.115 4.320 -0.046 0.000 0.219 265 A C 2.337 180.038 177.584 0.195 0.000 1.176 265 A CA 1.662 53.823 52.037 0.206 0.000 0.631 265 A CB -0.775 18.286 19.000 0.101 0.000 0.814 265 A HN 0.752 nan 8.150 nan 0.000 0.446 266 R N -1.829 118.698 120.500 0.044 0.000 2.148 266 R HA -0.144 4.169 4.340 -0.046 0.000 0.227 266 R C 1.792 178.012 176.300 -0.134 0.000 1.103 266 R CA 1.412 57.438 56.100 -0.124 0.000 0.983 266 R CB -0.554 29.544 30.300 -0.337 0.000 0.874 266 R HN 0.669 nan 8.270 nan 0.000 0.451 267 W N 0.173 121.639 121.300 0.277 0.000 2.523 267 W HA 0.095 4.727 4.660 -0.046 0.000 0.278 267 W C 1.930 178.613 176.519 0.274 0.000 1.236 267 W CA -0.359 57.209 57.345 0.372 0.000 1.306 267 W CB -0.224 29.522 29.460 0.476 0.000 1.101 267 W HN -0.017 nan 8.180 nan 0.000 0.577 268 F N 1.913 122.031 119.950 0.279 0.000 2.134 268 F HA -0.191 4.308 4.527 -0.047 0.000 0.299 268 F C 2.075 177.921 175.800 0.078 0.000 1.097 268 F CA 1.992 60.063 58.000 0.119 0.000 1.264 268 F CB -0.342 38.735 39.000 0.128 0.000 1.001 268 F HN -0.150 nan 8.300 nan 0.000 0.479 269 E N -0.250 120.112 120.200 0.270 0.000 2.153 269 E HA -0.213 4.109 4.350 -0.046 0.000 0.194 269 E C 2.235 178.860 176.600 0.042 0.000 0.988 269 E CA 0.765 57.251 56.400 0.144 0.000 0.811 269 E CB -0.089 29.683 29.700 0.120 0.000 0.746 269 E HN 0.243 nan 8.360 nan 0.000 0.466 270 R N 0.492 121.055 120.500 0.105 0.000 2.075 270 R HA -0.069 4.243 4.340 -0.046 0.000 0.232 270 R C 2.403 178.753 176.300 0.082 0.000 1.126 270 R CA 0.813 57.005 56.100 0.154 0.000 0.963 270 R CB -0.767 29.752 30.300 0.366 0.000 0.858 270 R HN 0.263 nan 8.270 nan 0.000 0.435 271 L N 0.977 122.150 121.223 -0.083 0.000 2.079 271 L HA -0.223 4.089 4.340 -0.046 0.000 0.210 271 L C 2.569 179.186 176.870 -0.421 0.000 1.081 271 L CA 1.456 56.012 54.840 -0.474 0.000 0.752 271 L CB -0.414 40.855 42.059 -1.316 0.000 0.896 271 L HN 0.239 nan 8.230 nan 0.000 0.433 272 Q N -0.473 119.129 119.800 -0.330 0.000 2.084 272 Q HA -0.180 4.132 4.340 -0.046 0.000 0.202 272 Q C 2.452 178.485 176.000 0.055 0.000 0.978 272 Q CA 1.513 57.281 55.803 -0.059 0.000 0.844 272 Q CB -0.251 28.498 28.738 0.019 0.000 0.898 272 Q HN 0.577 nan 8.270 nan 0.000 0.426 273 A N 0.904 123.743 122.820 0.033 0.000 1.898 273 A HA -0.148 4.144 4.320 -0.046 0.000 0.216 273 A C 2.035 179.685 177.584 0.110 0.000 1.181 273 A CA 1.004 53.083 52.037 0.069 0.000 0.620 273 A CB -0.529 18.492 19.000 0.036 0.000 0.819 273 A HN 0.272 nan 8.150 nan 0.000 0.442 274 I N -0.593 120.026 120.570 0.081 0.000 2.202 274 I HA -0.256 3.887 4.170 -0.046 0.000 0.242 274 I C 2.581 178.761 176.117 0.104 0.000 1.091 274 I CA 1.793 63.147 61.300 0.090 0.000 1.368 274 I CB -0.294 37.759 38.000 0.088 0.000 1.058 274 I HN 0.559 nan 8.210 nan 0.000 0.410 275 E N 0.457 120.725 120.200 0.113 0.000 2.085 275 E HA -0.344 3.978 4.350 -0.046 0.000 0.194 275 E C 2.147 178.828 176.600 0.135 0.000 0.994 275 E CA 1.757 58.241 56.400 0.140 0.000 0.801 275 E CB -0.139 29.719 29.700 0.264 0.000 0.743 275 E HN 0.584 nan 8.360 nan 0.000 0.453 276 H N -0.207 118.918 119.070 0.092 0.000 2.357 276 H HA -0.109 4.419 4.556 -0.048 0.000 0.301 276 H C 2.086 177.487 175.328 0.122 0.000 1.082 276 H CA 1.988 58.096 56.048 0.101 0.000 1.342 276 H CB 0.101 29.905 29.762 0.069 0.000 1.389 276 H HN 0.135 nan 8.280 nan 0.000 0.511 277 E N 0.388 120.726 120.200 0.229 0.000 2.072 277 E HA -0.098 4.224 4.350 -0.046 0.000 0.191 277 E C 2.266 178.907 176.600 0.068 0.000 0.985 277 E CA 1.187 57.681 56.400 0.157 0.000 0.801 277 E CB -0.310 29.470 29.700 0.133 0.000 0.750 277 E HN 0.579 nan 8.360 nan 0.000 0.452 278 L N 0.341 121.598 121.223 0.055 0.000 2.042 278 L HA -0.222 4.090 4.340 -0.046 0.000 0.210 278 L C 2.763 179.618 176.870 -0.025 0.000 1.076 278 L CA 1.681 56.529 54.840 0.013 0.000 0.749 278 L CB -0.756 41.309 42.059 0.010 0.000 0.893 278 L HN 0.393 nan 8.230 nan 0.000 0.432 279 H N 0.575 119.569 119.070 -0.126 0.000 2.290 279 H HA -0.171 4.360 4.556 -0.042 0.000 0.298 279 H C 1.984 177.255 175.328 -0.095 0.000 1.087 279 H CA 1.745 57.714 56.048 -0.132 0.000 1.291 279 H CB 0.273 29.972 29.762 -0.105 0.000 1.369 279 H HN 0.303 nan 8.280 nan 0.000 0.492 280 E N 0.828 121.001 120.200 -0.045 0.000 2.153 280 E HA -0.105 4.218 4.350 -0.046 0.000 0.194 280 E C 2.469 179.025 176.600 -0.073 0.000 0.988 280 E CA 0.398 56.762 56.400 -0.060 0.000 0.811 280 E CB -0.157 29.542 29.700 -0.001 0.000 0.746 280 E HN 0.542 nan 8.360 nan 0.000 0.466 281 L N -0.075 121.116 121.223 -0.054 0.000 2.610 281 L HA 0.066 4.378 4.340 -0.046 0.000 0.232 281 L C 1.198 178.027 176.870 -0.067 0.000 1.149 281 L CA 0.403 55.219 54.840 -0.040 0.000 0.872 281 L CB -0.382 41.669 42.059 -0.013 0.000 0.992 281 L HN 0.184 nan 8.230 nan 0.000 0.447 282 G N 0.469 109.193 108.800 -0.127 0.000 2.198 282 G HA2 -0.290 3.643 3.960 -0.046 0.000 0.260 282 G HA3 -0.290 3.643 3.960 -0.046 0.000 0.260 282 G C 0.578 175.428 174.900 -0.083 0.000 1.025 282 G CA 0.248 45.271 45.100 -0.129 0.000 0.769 282 G HN 0.395 nan 8.290 nan 0.000 0.507 283 L N -0.963 120.216 121.223 -0.073 0.000 2.607 283 L HA 0.426 4.739 4.340 -0.046 0.000 0.228 283 L C 1.249 178.102 176.870 -0.029 0.000 1.123 283 L CA 0.032 54.850 54.840 -0.036 0.000 0.890 283 L CB -0.000 42.049 42.059 -0.016 0.000 1.103 283 L HN 0.214 nan 8.230 nan 0.000 0.468 284 L N -0.294 120.894 121.223 -0.058 0.000 2.313 284 L HA 0.510 4.823 4.340 -0.046 0.000 0.268 284 L C -0.354 176.534 176.870 0.029 0.000 1.010 284 L CA -0.855 53.967 54.840 -0.031 0.000 0.814 284 L CB 1.750 43.703 42.059 -0.177 0.000 1.304 284 L HN -0.186 nan 8.230 nan 0.000 0.441 285 K N 0.429 120.884 120.400 0.092 0.000 2.270 285 K HA 0.282 4.575 4.320 -0.046 0.000 0.255 285 K C -1.006 175.687 176.600 0.156 0.000 0.936 285 K CA -0.289 56.058 56.287 0.099 0.000 0.809 285 K CB 0.992 33.541 32.500 0.081 0.000 1.131 285 K HN 0.474 nan 8.250 nan 0.000 0.427 286 D N 2.608 123.081 120.400 0.123 0.000 2.735 286 D HA -0.256 4.356 4.640 -0.046 0.000 0.235 286 D C -1.155 175.256 176.300 0.184 0.000 1.175 286 D CA 1.122 55.196 54.000 0.122 0.000 0.683 286 D CB -0.957 39.905 40.800 0.102 0.000 1.008 286 D HN 0.577 nan 8.370 nan 0.000 0.416 287 H N -0.592 118.528 119.070 0.085 0.000 2.771 287 H HA 0.547 5.077 4.556 -0.043 0.000 0.361 287 H C -0.755 174.651 175.328 0.130 0.000 1.108 287 H CA -0.217 55.882 56.048 0.086 0.000 1.201 287 H CB 1.792 31.625 29.762 0.118 0.000 1.681 287 H HN 0.138 nan 8.280 nan 0.000 0.534 288 S N 4.022 119.476 115.700 -0.410 0.000 2.599 288 S HA 0.346 4.788 4.470 -0.046 0.000 0.287 288 S C 0.961 175.203 174.600 -0.597 0.000 1.105 288 S CA -0.932 57.117 58.200 -0.251 0.000 0.899 288 S CB 1.624 64.743 63.200 -0.135 0.000 1.100 288 S HN 0.585 nan 8.310 nan 0.000 0.482 289 L N 0.746 121.656 121.223 -0.520 0.000 2.109 289 L HA 0.010 4.322 4.340 -0.046 0.000 0.207 289 L C 2.550 179.276 176.870 -0.241 0.000 1.086 289 L CA 0.989 55.578 54.840 -0.419 0.000 0.760 289 L CB -0.454 41.406 42.059 -0.331 0.000 0.910 289 L HN 0.722 nan 8.230 nan 0.000 0.437 290 E N 0.462 120.552 120.200 -0.183 0.000 2.118 290 E HA -0.140 4.182 4.350 -0.046 0.000 0.195 290 E C 1.693 178.205 176.600 -0.148 0.000 0.992 290 E CA 1.296 57.621 56.400 -0.124 0.000 0.804 290 E CB -0.168 29.478 29.700 -0.090 0.000 0.741 290 E HN 0.446 nan 8.360 nan 0.000 0.458 291 G N 2.104 110.773 108.800 -0.219 0.000 3.814 291 G HA2 0.072 4.005 3.960 -0.046 0.000 0.293 291 G HA3 0.072 4.005 3.960 -0.046 0.000 0.293 291 G C 0.391 175.085 174.900 -0.344 0.000 1.243 291 G CA -0.546 44.426 45.100 -0.213 0.000 1.053 291 G HN 0.065 nan 8.290 nan 0.000 0.562 292 R N -1.381 118.922 120.500 -0.328 0.000 2.774 292 R HA 0.207 4.520 4.340 -0.046 0.000 0.269 292 R C 0.085 176.285 176.300 -0.167 0.000 1.068 292 R CA -0.243 55.636 56.100 -0.367 0.000 1.180 292 R CB 0.510 30.735 30.300 -0.124 0.000 1.077 292 R HN 0.105 nan 8.270 nan 0.000 0.513 293 Y N -0.298 120.041 120.300 0.066 0.000 2.397 293 Y HA 0.188 4.709 4.550 -0.048 0.000 0.292 293 Y C 0.386 176.166 175.900 -0.200 0.000 1.115 293 Y CA -0.116 57.926 58.100 -0.096 0.000 1.208 293 Y CB 0.071 38.437 38.460 -0.157 0.000 1.046 293 Y HN 0.331 nan 8.280 nan 0.000 0.552 294 F N 2.270 122.434 119.950 0.356 0.000 2.291 294 F HA 0.365 4.865 4.527 -0.046 0.000 0.368 294 F C 0.188 176.190 175.800 0.337 0.000 1.085 294 F CA -1.234 56.922 58.000 0.260 0.000 1.165 294 F CB 0.194 39.072 39.000 -0.204 0.000 1.429 294 F HN -0.075 nan 8.300 nan 0.000 0.503 295 Q N 1.084 121.232 119.800 0.580 0.000 2.180 295 Q HA 0.357 4.670 4.340 -0.046 0.000 0.241 295 Q C -0.561 175.749 176.000 0.516 0.000 0.970 295 Q CA -1.202 54.867 55.803 0.444 0.000 0.919 295 Q CB 1.070 29.988 28.738 0.299 0.000 1.222 295 Q HN 0.361 nan 8.270 nan 0.000 0.482 296 N N 1.722 120.620 118.700 0.331 0.000 2.448 296 N HA 0.236 4.948 4.740 -0.046 0.000 0.250 296 N C -1.255 174.404 175.510 0.248 0.000 1.136 296 N CA -0.004 53.195 53.050 0.248 0.000 0.953 296 N CB -0.245 38.338 38.487 0.159 0.000 1.251 296 N HN 0.510 nan 8.380 nan 0.000 0.502 297 Y N -0.926 119.338 120.300 -0.059 0.000 2.380 297 Y HA 0.393 4.927 4.550 -0.027 0.000 0.320 297 Y C -1.231 174.530 175.900 -0.231 0.000 1.272 297 Y CA -1.210 56.822 58.100 -0.112 0.000 1.165 297 Y CB 0.132 38.551 38.460 -0.067 0.000 1.319 297 Y HN 0.339 nan 8.280 nan 0.000 0.443 298 S N 3.321 118.885 115.700 -0.226 0.000 2.745 298 S HA 0.731 5.174 4.470 -0.046 0.000 0.292 298 S C -1.530 172.885 174.600 -0.308 0.000 1.133 298 S CA -0.687 57.287 58.200 -0.377 0.000 0.998 298 S CB 2.244 65.321 63.200 -0.204 0.000 1.087 298 S HN 1.066 nan 8.310 nan 0.000 0.551 299 Y N -0.307 119.722 120.300 -0.453 0.000 2.307 299 Y HA 0.544 5.066 4.550 -0.047 0.000 0.323 299 Y C 0.624 176.458 175.900 -0.111 0.000 1.100 299 Y CA -0.601 57.327 58.100 -0.287 0.000 1.140 299 Y CB 1.042 39.214 38.460 -0.479 0.000 1.159 299 Y HN 0.803 nan 8.280 nan 0.000 0.436 300 G N 3.099 111.793 108.800 -0.177 0.000 2.511 300 G HA2 0.113 4.046 3.960 -0.046 0.000 0.217 300 G HA3 0.113 4.046 3.960 -0.046 0.000 0.217 300 G C 0.776 175.667 174.900 -0.015 0.000 1.133 300 G CA 0.394 45.454 45.100 -0.067 0.000 0.792 300 G HN 0.908 nan 8.290 nan 0.000 0.539 301 G N -0.672 108.022 108.800 -0.178 0.000 2.683 301 G HA2 0.386 4.318 3.960 -0.046 0.000 0.260 301 G HA3 0.386 4.318 3.960 -0.046 0.000 0.260 301 G C -0.740 174.359 174.900 0.330 0.000 1.238 301 G CA -0.268 44.843 45.100 0.019 0.000 0.934 301 G HN 0.160 nan 8.290 nan 0.000 0.534 302 V N 0.605 120.659 119.914 0.232 0.000 2.435 302 V HA 0.376 4.468 4.120 -0.046 0.000 0.290 302 V C 0.075 176.268 176.094 0.165 0.000 1.030 302 V CA -0.396 62.027 62.300 0.205 0.000 0.881 302 V CB 1.405 33.293 31.823 0.109 0.000 0.983 302 V HN 0.476 nan 8.190 nan 0.000 0.445 303 I N 4.318 124.974 120.570 0.144 0.000 2.362 303 I HA 0.323 4.465 4.170 -0.046 0.000 0.289 303 I C -0.136 176.071 176.117 0.151 0.000 0.994 303 I CA -0.737 60.623 61.300 0.101 0.000 1.158 303 I CB 1.726 39.741 38.000 0.026 0.000 1.315 303 I HN 0.492 nan 8.210 nan 0.000 0.451 304 Q N 5.223 125.020 119.800 -0.005 0.000 2.271 304 Q HA 0.213 4.526 4.340 -0.046 0.000 0.273 304 Q C -0.782 175.284 176.000 0.110 0.000 1.051 304 Q CA 0.681 56.457 55.803 -0.045 0.000 0.901 304 Q CB 1.084 29.598 28.738 -0.373 0.000 1.174 304 Q HN 0.512 nan 8.270 nan 0.000 0.385 305 D N 0.327 120.803 120.400 0.127 0.000 2.713 305 D HA 0.100 4.712 4.640 -0.046 0.000 0.306 305 D C -0.288 176.028 176.300 0.026 0.000 1.299 305 D CA -0.474 53.633 54.000 0.178 0.000 0.823 305 D CB 1.014 42.041 40.800 0.379 0.000 1.353 305 D HN 0.172 nan 8.370 nan 0.000 0.447 306 D N -0.683 119.722 120.400 0.009 0.000 2.311 306 D HA -0.154 4.459 4.640 -0.046 0.000 0.212 306 D C 1.576 177.816 176.300 -0.100 0.000 0.972 306 D CA 0.905 54.781 54.000 -0.206 0.000 0.887 306 D CB -0.073 40.473 40.800 -0.423 0.000 0.915 306 D HN 0.456 nan 8.370 nan 0.000 0.497 307 H N -0.020 118.956 119.070 -0.156 0.000 2.502 307 H HA -0.006 4.523 4.556 -0.045 0.000 0.283 307 H C 2.086 177.411 175.328 -0.005 0.000 1.015 307 H CA 0.068 56.070 56.048 -0.077 0.000 1.298 307 H CB -0.352 29.234 29.762 -0.293 0.000 1.411 307 H HN 0.053 nan 8.280 nan 0.000 0.556 308 I N 2.163 122.254 120.570 -0.799 0.000 2.145 308 I HA -0.178 3.964 4.170 -0.046 0.000 0.244 308 I C -0.494 175.452 176.117 -0.286 0.000 1.075 308 I CA 1.238 62.201 61.300 -0.562 0.000 1.332 308 I CB -2.108 35.648 38.000 -0.407 0.000 1.033 308 I HN 0.272 nan 8.210 nan 0.000 0.410 309 P HA -0.109 nan 4.420 nan 0.000 0.223 309 P C 1.792 178.833 177.300 -0.431 0.000 1.151 309 P CA 1.390 64.275 63.100 -0.358 0.000 0.787 309 P CB -0.107 31.307 31.700 -0.477 0.000 0.788 310 F N -1.144 118.708 119.950 -0.164 0.000 2.179 310 F HA 0.032 4.531 4.527 -0.046 0.000 0.292 310 F C 2.248 177.974 175.800 -0.124 0.000 1.089 310 F CA 0.466 58.399 58.000 -0.111 0.000 1.295 310 F CB -1.313 37.648 39.000 -0.064 0.000 1.041 310 F HN -0.220 nan 8.300 nan 0.000 0.487 311 L N 0.748 121.977 121.223 0.010 0.000 2.042 311 L HA -0.160 4.153 4.340 -0.046 0.000 0.210 311 L C 2.103 178.914 176.870 -0.098 0.000 1.076 311 L CA 1.849 56.626 54.840 -0.104 0.000 0.749 311 L CB -0.444 41.489 42.059 -0.209 0.000 0.893 311 L HN 0.002 nan 8.230 nan 0.000 0.432 312 R N -0.853 119.580 120.500 -0.111 0.000 2.323 312 R HA 0.062 4.374 4.340 -0.046 0.000 0.198 312 R C 1.256 177.508 176.300 -0.080 0.000 0.988 312 R CA 0.311 56.356 56.100 -0.092 0.000 1.041 312 R CB -0.076 30.164 30.300 -0.100 0.000 0.926 312 R HN 0.376 nan 8.270 nan 0.000 0.476 313 R N -0.526 119.927 120.500 -0.079 0.000 2.509 313 R HA 0.141 4.453 4.340 -0.046 0.000 0.300 313 R C 0.464 176.761 176.300 -0.006 0.000 0.985 313 R CA 0.398 56.464 56.100 -0.058 0.000 1.092 313 R CB 1.274 31.512 30.300 -0.103 0.000 1.237 313 R HN 0.283 nan 8.270 nan 0.000 0.546 314 G N 0.979 109.775 108.800 -0.006 0.000 2.132 314 G HA2 -0.237 3.695 3.960 -0.046 0.000 0.234 314 G HA3 -0.237 3.695 3.960 -0.046 0.000 0.234 314 G C 0.082 175.002 174.900 0.033 0.000 0.989 314 G CA -0.102 45.005 45.100 0.011 0.000 0.676 314 G HN 0.128 nan 8.290 nan 0.000 0.522 315 V N 1.581 121.523 119.914 0.046 0.000 2.530 315 V HA 0.405 4.498 4.120 -0.046 0.000 0.282 315 V C -1.408 174.695 176.094 0.015 0.000 1.048 315 V CA -1.328 61.013 62.300 0.068 0.000 0.997 315 V CB 1.413 33.321 31.823 0.143 0.000 0.987 315 V HN 0.141 nan 8.190 nan 0.000 0.477 316 P HA 0.253 nan 4.420 nan 0.000 0.271 316 P C -0.923 176.384 177.300 0.011 0.000 1.216 316 P CA 0.023 63.143 63.100 0.033 0.000 0.771 316 P CB 0.720 32.491 31.700 0.117 0.000 0.864 317 V N 4.487 124.388 119.914 -0.022 0.000 2.656 317 V HA 0.343 4.435 4.120 -0.046 0.000 0.307 317 V C -0.426 175.804 176.094 0.227 0.000 1.051 317 V CA -0.678 61.634 62.300 0.021 0.000 0.893 317 V CB 2.029 33.787 31.823 -0.109 0.000 0.999 317 V HN 0.312 nan 8.190 nan 0.000 0.426 318 L N 4.416 125.758 121.223 0.198 0.000 2.301 318 L HA 0.472 4.785 4.340 -0.046 0.000 0.278 318 L C -0.258 176.770 176.870 0.265 0.000 1.022 318 L CA -0.005 55.000 54.840 0.275 0.000 0.854 318 L CB 0.550 42.680 42.059 0.118 0.000 1.226 318 L HN 0.759 nan 8.230 nan 0.000 0.429 319 H N 6.016 125.233 119.070 0.246 0.000 2.741 319 H HA 0.318 4.848 4.556 -0.044 0.000 0.282 319 H C -0.516 174.952 175.328 0.234 0.000 1.122 319 H CA -0.695 55.397 56.048 0.074 0.000 1.293 319 H CB 0.712 30.304 29.762 -0.283 0.000 1.415 319 H HN 0.582 nan 8.280 nan 0.000 0.472 320 L N 8.205 129.586 121.223 0.263 0.000 2.423 320 L HA 0.234 4.547 4.340 -0.046 0.000 0.249 320 L C -0.227 176.837 176.870 0.324 0.000 1.276 320 L CA 0.129 55.067 54.840 0.163 0.000 1.199 320 L CB -0.380 41.607 42.059 -0.119 0.000 1.407 320 L HN 0.571 nan 8.230 nan 0.000 0.410 321 I N 2.960 123.706 120.570 0.293 0.000 2.545 321 I HA 0.546 4.689 4.170 -0.046 0.000 0.292 321 I C -2.328 173.891 176.117 0.169 0.000 1.040 321 I CA -2.229 59.135 61.300 0.107 0.000 1.068 321 I CB 3.185 40.935 38.000 -0.417 0.000 1.251 321 I HN 0.095 nan 8.210 nan 0.000 0.424 322 P HA 0.186 nan 4.420 nan 0.000 0.276 322 P C -1.342 175.942 177.300 -0.028 0.000 1.244 322 P CA -0.440 62.457 63.100 -0.338 0.000 0.801 322 P CB 1.455 32.853 31.700 -0.503 0.000 1.006 323 S N 1.652 117.315 115.700 -0.061 0.000 2.733 323 S HA 0.521 4.964 4.470 -0.046 0.000 0.294 323 S C -2.681 171.923 174.600 0.008 0.000 1.149 323 S CA -1.663 56.526 58.200 -0.018 0.000 1.034 323 S CB 0.719 63.896 63.200 -0.039 0.000 1.015 323 S HN 0.253 nan 8.310 nan 0.000 0.486 324 P HA 0.328 nan 4.420 nan 0.000 0.274 324 P C -0.392 176.904 177.300 -0.007 0.000 1.256 324 P CA -0.520 62.504 63.100 -0.127 0.000 0.795 324 P CB 0.312 31.932 31.700 -0.133 0.000 1.038 325 F N -0.372 119.452 119.950 -0.210 0.000 2.490 325 F HA 0.240 4.741 4.527 -0.043 0.000 0.336 325 F C -1.342 174.405 175.800 -0.088 0.000 1.178 325 F CA -2.290 55.583 58.000 -0.211 0.000 1.301 325 F CB -2.004 36.725 39.000 -0.452 0.000 1.175 325 F HN 0.164 nan 8.300 nan 0.000 0.593 326 P HA -0.000 nan 4.420 nan 0.000 0.265 326 P C 0.495 177.913 177.300 0.196 0.000 1.187 326 P CA 0.325 63.517 63.100 0.152 0.000 0.766 326 P CB 0.439 32.238 31.700 0.164 0.000 0.820 327 E N 1.260 121.541 120.200 0.134 0.000 2.153 327 E HA -0.146 4.177 4.350 -0.046 0.000 0.194 327 E C 1.427 178.139 176.600 0.187 0.000 0.988 327 E CA 1.282 57.763 56.400 0.135 0.000 0.811 327 E CB -0.220 29.531 29.700 0.085 0.000 0.746 327 E HN 0.383 nan 8.360 nan 0.000 0.466 328 V N -1.588 118.438 119.914 0.188 0.000 3.510 328 V HA -0.023 4.070 4.120 -0.046 0.000 0.270 328 V C 0.562 176.829 176.094 0.287 0.000 1.201 328 V CA -0.319 62.097 62.300 0.193 0.000 1.166 328 V CB -1.413 30.495 31.823 0.141 0.000 0.825 328 V HN 0.253 nan 8.190 nan 0.000 0.484 329 W N 2.894 124.282 121.300 0.148 0.000 2.476 329 W HA 0.068 4.704 4.660 -0.040 0.000 0.338 329 W C 1.040 177.713 176.519 0.256 0.000 1.328 329 W CA 1.220 58.667 57.345 0.171 0.000 1.300 329 W CB -0.943 28.591 29.460 0.124 0.000 1.252 329 W HN 0.612 nan 8.180 nan 0.000 0.568 330 H N 2.317 121.224 119.070 -0.271 0.000 2.820 330 H HA -0.228 4.302 4.556 -0.044 0.000 0.295 330 H C 0.399 175.532 175.328 -0.326 0.000 1.187 330 H CA 0.737 56.496 56.048 -0.481 0.000 1.144 330 H CB -1.617 27.562 29.762 -0.972 0.000 1.354 330 H HN 0.482 nan 8.280 nan 0.000 0.395 331 T N -3.574 111.015 114.554 0.059 0.000 2.930 331 T HA 0.432 4.755 4.350 -0.046 0.000 0.290 331 T C 1.255 176.005 174.700 0.083 0.000 1.052 331 T CA -1.188 60.866 62.100 -0.076 0.000 1.017 331 T CB 1.679 70.541 68.868 -0.010 0.000 1.137 331 T HN 0.004 nan 8.240 nan 0.000 0.511 332 M N 0.838 120.410 119.600 -0.046 0.000 2.539 332 M HA -0.002 4.450 4.480 -0.046 0.000 0.261 332 M C 0.647 176.969 176.300 0.037 0.000 1.069 332 M CA 0.894 56.221 55.300 0.045 0.000 1.081 332 M CB -1.168 31.444 32.600 0.021 0.000 1.412 332 M HN 0.644 nan 8.290 nan 0.000 0.482 333 D N 0.239 120.664 120.400 0.042 0.000 2.349 333 D HA -0.042 4.571 4.640 -0.046 0.000 0.224 333 D C 0.252 176.576 176.300 0.039 0.000 1.029 333 D CA 0.411 54.436 54.000 0.042 0.000 0.879 333 D CB -0.116 40.715 40.800 0.052 0.000 0.906 333 D HN 0.247 nan 8.370 nan 0.000 0.528 334 D N 1.667 122.090 120.400 0.037 0.000 2.551 334 D HA 0.018 4.631 4.640 -0.046 0.000 0.223 334 D C -0.179 176.052 176.300 -0.116 0.000 1.144 334 D CA -0.219 53.782 54.000 0.003 0.000 1.025 334 D CB -0.491 40.336 40.800 0.045 0.000 1.085 334 D HN 0.085 nan 8.370 nan 0.000 0.506 335 N N -0.002 118.667 118.700 -0.051 0.000 3.038 335 N HA 0.151 4.864 4.740 -0.046 0.000 0.307 335 N C 0.830 176.336 175.510 -0.006 0.000 1.441 335 N CA -0.765 52.247 53.050 -0.063 0.000 0.772 335 N CB 0.574 39.037 38.487 -0.039 0.000 1.651 335 N HN 0.022 nan 8.380 nan 0.000 0.593 336 E N -0.261 119.947 120.200 0.013 0.000 2.058 336 E HA -0.281 4.042 4.350 -0.046 0.000 0.194 336 E C 1.151 177.853 176.600 0.169 0.000 0.997 336 E CA 1.354 57.816 56.400 0.103 0.000 0.801 336 E CB -0.029 29.747 29.700 0.128 0.000 0.746 336 E HN 0.723 nan 8.360 nan 0.000 0.450 337 E N 0.042 120.306 120.200 0.107 0.000 2.118 337 E HA -0.213 4.110 4.350 -0.046 0.000 0.195 337 E C 1.315 177.970 176.600 0.092 0.000 0.992 337 E CA 1.156 57.612 56.400 0.093 0.000 0.804 337 E CB 0.009 29.744 29.700 0.058 0.000 0.741 337 E HN 0.234 nan 8.360 nan 0.000 0.458 338 N N 0.318 119.069 118.700 0.085 0.000 2.398 338 N HA 0.052 4.765 4.740 -0.046 0.000 0.188 338 N C -0.012 175.561 175.510 0.105 0.000 1.122 338 N CA 0.234 53.333 53.050 0.082 0.000 0.866 338 N CB 0.191 38.718 38.487 0.067 0.000 0.970 338 N HN 0.183 nan 8.380 nan 0.000 0.462 339 L N 0.487 121.805 121.223 0.157 0.000 2.436 339 L HA 0.155 4.467 4.340 -0.046 0.000 0.265 339 L C 0.592 177.591 176.870 0.214 0.000 1.168 339 L CA -0.218 54.749 54.840 0.211 0.000 0.815 339 L CB 0.608 42.875 42.059 0.346 0.000 1.109 339 L HN -0.102 nan 8.230 nan 0.000 0.462 340 D N 1.973 122.486 120.400 0.188 0.000 2.454 340 D HA 0.042 4.655 4.640 -0.046 0.000 0.225 340 D C 0.730 177.136 176.300 0.176 0.000 1.081 340 D CA -0.176 53.906 54.000 0.136 0.000 0.864 340 D CB 1.207 42.066 40.800 0.097 0.000 1.040 340 D HN 0.616 nan 8.370 nan 0.000 0.517 341 E N 2.018 122.286 120.200 0.113 0.000 2.070 341 E HA -0.241 4.081 4.350 -0.046 0.000 0.197 341 E C 1.469 178.139 176.600 0.116 0.000 1.004 341 E CA 1.680 58.125 56.400 0.075 0.000 0.805 341 E CB 0.280 29.829 29.700 -0.251 0.000 0.744 341 E HN 0.483 nan 8.360 nan 0.000 0.451 342 S N -0.778 114.972 115.700 0.083 0.000 2.428 342 S HA -0.084 4.359 4.470 -0.046 0.000 0.230 342 S C 2.010 176.709 174.600 0.165 0.000 1.014 342 S CA 1.363 59.631 58.200 0.113 0.000 0.957 342 S CB -0.317 62.943 63.200 0.100 0.000 0.784 342 S HN 0.186 nan 8.310 nan 0.000 0.499 343 T N 2.744 117.393 114.554 0.159 0.000 2.777 343 T HA 0.176 4.498 4.350 -0.046 0.000 0.266 343 T C 1.682 176.427 174.700 0.076 0.000 1.040 343 T CA 1.365 63.544 62.100 0.131 0.000 1.141 343 T CB -0.423 68.463 68.868 0.031 0.000 0.868 343 T HN 0.412 nan 8.240 nan 0.000 0.444 344 I N 1.236 121.877 120.570 0.118 0.000 2.226 344 I HA -0.164 3.979 4.170 -0.046 0.000 0.245 344 I C 2.504 178.706 176.117 0.141 0.000 1.100 344 I CA 1.257 62.634 61.300 0.128 0.000 1.374 344 I CB -0.361 37.758 38.000 0.198 0.000 1.057 344 I HN 0.168 nan 8.210 nan 0.000 0.413 345 D N 1.242 121.740 120.400 0.164 0.000 2.092 345 D HA -0.210 4.403 4.640 -0.046 0.000 0.193 345 D C 1.906 178.289 176.300 0.138 0.000 0.994 345 D CA 1.584 55.670 54.000 0.143 0.000 0.828 345 D CB -0.165 40.711 40.800 0.126 0.000 0.963 345 D HN 0.164 nan 8.370 nan 0.000 0.450 346 N N -0.078 118.723 118.700 0.168 0.000 2.061 346 N HA -0.141 4.572 4.740 -0.046 0.000 0.193 346 N C 2.054 177.692 175.510 0.214 0.000 1.030 346 N CA 0.702 53.876 53.050 0.206 0.000 0.856 346 N CB -0.493 38.214 38.487 0.368 0.000 1.023 346 N HN 0.319 nan 8.380 nan 0.000 0.424 347 L N 0.797 122.130 121.223 0.182 0.000 2.141 347 L HA -0.083 4.230 4.340 -0.046 0.000 0.209 347 L C 1.832 178.774 176.870 0.119 0.000 1.094 347 L CA 0.667 55.601 54.840 0.157 0.000 0.763 347 L CB -0.356 41.747 42.059 0.073 0.000 0.908 347 L HN 0.117 nan 8.230 nan 0.000 0.437 348 N N 0.521 119.285 118.700 0.106 0.000 2.104 348 N HA -0.181 4.531 4.740 -0.046 0.000 0.190 348 N C 1.753 177.321 175.510 0.095 0.000 1.024 348 N CA 1.309 54.413 53.050 0.091 0.000 0.853 348 N CB -0.107 38.436 38.487 0.093 0.000 1.008 348 N HN 0.344 nan 8.380 nan 0.000 0.424 349 K N 0.503 120.965 120.400 0.103 0.000 2.026 349 K HA -0.015 4.277 4.320 -0.046 0.000 0.208 349 K C 2.140 178.802 176.600 0.103 0.000 1.048 349 K CA 0.859 57.202 56.287 0.094 0.000 0.929 349 K CB -0.155 32.395 32.500 0.083 0.000 0.713 349 K HN 0.146 nan 8.250 nan 0.000 0.439 350 I N 0.875 121.519 120.570 0.123 0.000 2.179 350 I HA -0.279 3.864 4.170 -0.046 0.000 0.242 350 I C 2.331 178.517 176.117 0.116 0.000 1.088 350 I CA 0.755 62.129 61.300 0.124 0.000 1.357 350 I CB -0.182 37.924 38.000 0.176 0.000 1.051 350 I HN 0.104 nan 8.210 nan 0.000 0.409 351 L N 0.464 121.743 121.223 0.092 0.000 2.046 351 L HA -0.243 4.069 4.340 -0.046 0.000 0.208 351 L C 2.498 179.458 176.870 0.149 0.000 1.077 351 L CA 1.874 56.762 54.840 0.080 0.000 0.747 351 L CB -0.604 41.473 42.059 0.029 0.000 0.896 351 L HN 0.229 nan 8.230 nan 0.000 0.432 352 Q N -1.364 118.507 119.800 0.119 0.000 2.084 352 Q HA -0.175 4.138 4.340 -0.046 0.000 0.202 352 Q C 2.194 178.269 176.000 0.125 0.000 0.978 352 Q CA 1.866 57.738 55.803 0.116 0.000 0.844 352 Q CB -0.266 28.528 28.738 0.093 0.000 0.898 352 Q HN 0.445 nan 8.270 nan 0.000 0.426 353 V N 0.603 120.592 119.914 0.124 0.000 2.295 353 V HA -0.261 3.832 4.120 -0.046 0.000 0.246 353 V C 1.906 178.081 176.094 0.135 0.000 1.049 353 V CA 1.866 64.232 62.300 0.110 0.000 1.024 353 V CB -0.613 31.270 31.823 0.100 0.000 0.648 353 V HN 0.343 nan 8.190 nan 0.000 0.447 354 F N 0.507 120.483 119.950 0.042 0.000 2.120 354 F HA -0.220 4.280 4.527 -0.045 0.000 0.300 354 F C 2.201 178.056 175.800 0.092 0.000 1.095 354 F CA 1.992 60.029 58.000 0.061 0.000 1.249 354 F CB -0.224 38.776 39.000 -0.000 0.000 0.995 354 F HN -0.039 nan 8.300 nan 0.000 0.480 355 V N 0.608 120.658 119.914 0.227 0.000 2.307 355 V HA -0.286 3.807 4.120 -0.046 0.000 0.245 355 V C 2.423 178.564 176.094 0.078 0.000 1.045 355 V CA 1.893 64.279 62.300 0.143 0.000 1.024 355 V CB -0.628 31.292 31.823 0.161 0.000 0.651 355 V HN 0.367 nan 8.190 nan 0.000 0.449 356 L N -0.285 120.984 121.223 0.077 0.000 2.017 356 L HA -0.213 4.100 4.340 -0.046 0.000 0.208 356 L C 2.601 179.504 176.870 0.056 0.000 1.073 356 L CA 1.839 56.718 54.840 0.065 0.000 0.745 356 L CB -0.704 41.388 42.059 0.056 0.000 0.894 356 L HN 0.393 nan 8.230 nan 0.000 0.432 357 E N -0.861 119.345 120.200 0.011 0.000 2.110 357 E HA -0.272 4.050 4.350 -0.046 0.000 0.193 357 E C 2.051 178.674 176.600 0.037 0.000 0.988 357 E CA 1.446 57.839 56.400 -0.012 0.000 0.804 357 E CB -0.214 29.458 29.700 -0.047 0.000 0.745 357 E HN 0.454 nan 8.360 nan 0.000 0.458 358 Y N 1.062 121.264 120.300 -0.163 0.000 2.181 358 Y HA -0.140 4.382 4.550 -0.047 0.000 0.288 358 Y C 1.906 177.893 175.900 0.145 0.000 1.146 358 Y CA 1.260 59.291 58.100 -0.116 0.000 1.164 358 Y CB 0.121 38.297 38.460 -0.473 0.000 0.982 358 Y HN -0.056 nan 8.280 nan 0.000 0.515 359 L N -0.931 120.442 121.223 0.249 0.000 2.554 359 L HA -0.052 4.261 4.340 -0.046 0.000 0.226 359 L C -0.029 176.956 176.870 0.192 0.000 1.137 359 L CA 0.467 55.405 54.840 0.163 0.000 0.863 359 L CB -0.507 41.612 42.059 0.099 0.000 0.985 359 L HN 0.320 nan 8.230 nan 0.000 0.451 360 H N -0.984 118.099 119.070 0.021 0.000 2.826 360 H HA -0.112 4.416 4.556 -0.046 0.000 0.306 360 H C -0.263 175.065 175.328 -0.001 0.000 1.235 360 H CA 0.303 56.349 56.048 -0.003 0.000 1.150 360 H CB -2.080 27.682 29.762 0.000 0.000 1.409 360 H HN 0.207 nan 8.280 nan 0.000 0.420 361 L N 0.000 121.285 121.223 0.104 0.000 2.949 361 L HA 0.000 4.313 4.340 -0.046 0.000 0.249 361 L CA 0.000 54.874 54.840 0.058 0.000 0.813 361 L CB 0.000 42.088 42.059 0.048 0.000 0.961 361 L HN 0.000 nan 8.230 nan 0.000 0.502