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 1fj8_1_C DATA FIRST_RESID 2 DATA SEQUENCE KRAVITGLGI VSSIGNNQQE VLASLREGRS GITFSQELKD SGMRSHVWGN DATA SEQUENCE VKLDTTGLID RKVVRFMSDA SIYAFLSMEQ AIADAGLSPE AYQNNPRVGL DATA SEQUENCE IAGSGGGSPR FQVFGADAMR GPRGLKAVGP YVVTKAMASG VSACLATPFK DATA SEQUENCE IHGVNYSISS ACATSAHCIG NAVEQIQLGK QDIVFAGGGE ELCWEMACEF DATA SEQUENCE DAMGALSTKY NDTPEKASRT YDAHRDGFVI AGGGGMVVVE ELEHALARGA DATA SEQUENCE HIYAEIVGYG ATSDGADMVA PSGEGAVRCM KMAMHGVDTP IDYLNSHGTS DATA SEQUENCE TPVGDVKELA AIREVFGDKS PAISATKAMT GHSLGAAGVQ EAIYSLLMLE DATA SEQUENCE HGFIAPSINI EELDEQAAGL NIVTETTDRE LTTVMSNSFG FGGTNATLVM DATA SEQUENCE RKL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.601 176.600 0.002 0.000 0.988 2 K CA 0.000 56.289 56.287 0.004 0.000 0.838 2 K CB 0.000 32.504 32.500 0.007 0.000 1.064 3 R N 0.771 121.270 120.500 -0.002 0.000 2.393 3 R HA 0.618 4.959 4.340 0.001 0.000 0.310 3 R C -0.603 175.688 176.300 -0.015 0.000 0.968 3 R CA -0.299 55.798 56.100 -0.005 0.000 0.867 3 R CB 1.853 32.150 30.300 -0.005 0.000 1.124 3 R HN 0.069 nan 8.270 nan 0.000 0.450 4 A N 2.689 125.497 122.820 -0.020 0.000 2.317 4 A HA 0.677 4.998 4.320 0.001 0.000 0.327 4 A C -0.390 177.172 177.584 -0.036 0.000 1.178 4 A CA -0.648 51.366 52.037 -0.037 0.000 0.817 4 A CB 1.132 20.103 19.000 -0.048 0.000 1.189 4 A HN 0.534 nan 8.150 nan 0.000 0.489 5 V N -0.096 119.792 119.914 -0.043 0.000 3.078 5 V HA 0.690 4.811 4.120 0.001 0.000 0.311 5 V C -0.790 175.282 176.094 -0.037 0.000 1.138 5 V CA -1.070 61.209 62.300 -0.034 0.000 1.007 5 V CB 1.781 33.585 31.823 -0.031 0.000 1.045 5 V HN 0.629 nan 8.190 nan 0.000 0.432 6 I N 3.183 123.748 120.570 -0.008 0.000 2.315 6 I HA 0.438 4.609 4.170 0.001 0.000 0.291 6 I C 1.150 177.337 176.117 0.117 0.000 1.006 6 I CA 0.230 61.538 61.300 0.013 0.000 1.265 6 I CB 1.167 39.163 38.000 -0.008 0.000 1.387 6 I HN 1.045 nan 8.210 nan 0.000 0.475 7 T N 1.168 115.778 114.554 0.093 0.000 3.132 7 T HA 0.536 4.887 4.350 0.001 0.000 0.274 7 T C 0.475 175.321 174.700 0.243 0.000 1.011 7 T CA -0.377 61.809 62.100 0.143 0.000 0.899 7 T CB 0.365 69.257 68.868 0.040 0.000 1.089 7 T HN 0.823 nan 8.240 nan 0.000 0.543 8 G N 1.399 110.349 108.800 0.249 0.000 2.442 8 G HA2 0.512 4.473 3.960 0.001 0.000 0.296 8 G HA3 0.512 4.473 3.960 0.001 0.000 0.296 8 G C -2.121 172.799 174.900 0.033 0.000 1.564 8 G CA -0.955 44.276 45.100 0.219 0.000 0.828 8 G HN 0.641 nan 8.290 nan 0.000 0.571 9 L N -1.031 120.191 121.223 -0.002 0.000 2.465 9 L HA 1.050 5.391 4.340 0.001 0.000 0.257 9 L C 0.066 176.907 176.870 -0.049 0.000 0.988 9 L CA -0.872 53.909 54.840 -0.098 0.000 0.827 9 L CB 1.835 43.745 42.059 -0.247 0.000 1.397 9 L HN 1.218 nan 8.230 nan 0.000 0.410 10 G N 0.902 109.664 108.800 -0.064 0.000 2.620 10 G HA2 0.822 4.783 3.960 0.001 0.000 0.301 10 G HA3 0.822 4.783 3.960 0.001 0.000 0.301 10 G C -1.911 172.959 174.900 -0.050 0.000 1.347 10 G CA -0.759 44.314 45.100 -0.045 0.000 0.971 10 G HN 0.979 nan 8.290 nan 0.000 0.488 11 I N 0.674 121.227 120.570 -0.028 0.000 2.753 11 I HA 0.500 4.671 4.170 0.001 0.000 0.291 11 I C -1.577 174.527 176.117 -0.021 0.000 1.425 11 I CA -0.825 60.456 61.300 -0.032 0.000 1.039 11 I CB 2.238 40.220 38.000 -0.029 0.000 1.349 11 I HN 0.343 nan 8.210 nan 0.000 0.430 12 V N 6.702 126.586 119.914 -0.050 0.000 2.357 12 V HA 0.584 4.705 4.120 0.001 0.000 0.281 12 V C -0.218 175.777 176.094 -0.165 0.000 1.015 12 V CA -0.160 62.084 62.300 -0.093 0.000 0.827 12 V CB 1.329 33.094 31.823 -0.097 0.000 1.018 12 V HN 0.811 nan 8.190 nan 0.000 0.432 13 S N 2.499 118.133 115.700 -0.109 0.000 2.732 13 S HA 0.450 4.921 4.470 0.001 0.000 0.293 13 S C 1.179 175.725 174.600 -0.091 0.000 1.159 13 S CA 0.125 58.267 58.200 -0.097 0.000 0.847 13 S CB 1.797 65.018 63.200 0.035 0.000 1.169 13 S HN 0.862 nan 8.310 nan 0.000 0.501 14 S N 0.380 116.037 115.700 -0.072 0.000 2.442 14 S HA -0.074 4.396 4.470 0.001 0.000 0.236 14 S C 1.420 175.999 174.600 -0.035 0.000 1.007 14 S CA 1.093 59.258 58.200 -0.058 0.000 0.965 14 S CB -1.151 62.027 63.200 -0.037 0.000 0.773 14 S HN 1.047 nan 8.310 nan 0.000 0.504 15 I N -2.560 117.991 120.570 -0.032 0.000 3.974 15 I HA 0.682 4.853 4.170 0.001 0.000 0.334 15 I C 0.532 176.628 176.117 -0.035 0.000 1.437 15 I CA -0.435 60.838 61.300 -0.045 0.000 1.113 15 I CB 0.348 38.290 38.000 -0.096 0.000 1.063 15 I HN 0.276 nan 8.210 nan 0.000 0.400 16 G N 0.943 109.730 108.800 -0.021 0.000 2.405 16 G HA2 0.068 4.029 3.960 0.001 0.000 0.303 16 G HA3 0.068 4.029 3.960 0.001 0.000 0.303 16 G C -0.824 174.068 174.900 -0.013 0.000 1.644 16 G CA -0.612 44.480 45.100 -0.013 0.000 0.899 16 G HN -0.021 nan 8.290 nan 0.000 0.667 17 N N -0.076 118.617 118.700 -0.011 0.000 2.280 17 N HA 0.080 4.821 4.740 0.001 0.000 0.192 17 N C 0.426 175.939 175.510 0.004 0.000 1.109 17 N CA 0.655 53.698 53.050 -0.010 0.000 0.855 17 N CB 0.447 38.933 38.487 -0.003 0.000 0.974 17 N HN 0.797 nan 8.380 nan 0.000 0.482 18 N N -1.441 117.265 118.700 0.008 0.000 3.039 18 N HA 0.023 4.764 4.740 0.001 0.000 0.257 18 N C 0.468 175.992 175.510 0.022 0.000 1.497 18 N CA -0.692 52.368 53.050 0.016 0.000 0.861 18 N CB 0.507 39.004 38.487 0.017 0.000 1.479 18 N HN -0.158 nan 8.380 nan 0.000 0.547 19 Q N -1.010 118.808 119.800 0.030 0.000 2.224 19 Q HA -0.101 4.240 4.340 0.001 0.000 0.203 19 Q C 0.774 176.790 176.000 0.027 0.000 0.970 19 Q CA 1.464 57.293 55.803 0.044 0.000 0.865 19 Q CB -0.206 28.571 28.738 0.064 0.000 0.922 19 Q HN 0.634 nan 8.270 nan 0.000 0.445 20 Q N 1.107 120.913 119.800 0.011 0.000 2.079 20 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 20 Q C 1.737 177.716 176.000 -0.035 0.000 0.974 20 Q CA 1.855 57.647 55.803 -0.019 0.000 0.840 20 Q CB 0.064 28.794 28.738 -0.014 0.000 0.898 20 Q HN 0.539 nan 8.270 nan 0.000 0.430 21 E N -0.529 119.659 120.200 -0.020 0.000 2.051 21 E HA -0.152 4.199 4.350 0.001 0.000 0.192 21 E C 1.942 178.521 176.600 -0.035 0.000 0.991 21 E CA 1.227 57.611 56.400 -0.028 0.000 0.799 21 E CB 0.056 29.747 29.700 -0.016 0.000 0.748 21 E HN 0.108 nan 8.360 nan 0.000 0.449 22 V N 1.921 121.829 119.914 -0.010 0.000 2.287 22 V HA -0.279 3.842 4.120 0.001 0.000 0.248 22 V C 2.332 178.406 176.094 -0.033 0.000 1.053 22 V CA 1.379 63.674 62.300 -0.007 0.000 1.027 22 V CB -0.511 31.367 31.823 0.091 0.000 0.646 22 V HN 0.394 nan 8.190 nan 0.000 0.447 23 L N 0.365 121.573 121.223 -0.025 0.000 1.971 23 L HA -0.256 4.085 4.340 0.001 0.000 0.215 23 L C 2.644 179.423 176.870 -0.152 0.000 1.072 23 L CA 2.813 57.611 54.840 -0.070 0.000 0.758 23 L CB -1.147 40.805 42.059 -0.179 0.000 0.889 23 L HN 0.385 nan 8.230 nan 0.000 0.433 24 A N -0.573 122.159 122.820 -0.147 0.000 1.892 24 A HA -0.245 4.076 4.320 0.001 0.000 0.218 24 A C 2.371 179.876 177.584 -0.133 0.000 1.188 24 A CA 2.394 54.340 52.037 -0.152 0.000 0.631 24 A CB -0.810 18.127 19.000 -0.106 0.000 0.822 24 A HN 0.637 nan 8.150 nan 0.000 0.447 25 S N 0.103 115.741 115.700 -0.103 0.000 2.356 25 S HA -0.103 4.368 4.470 0.001 0.000 0.223 25 S C 1.849 176.388 174.600 -0.101 0.000 1.032 25 S CA 1.450 59.592 58.200 -0.097 0.000 1.005 25 S CB -0.587 62.554 63.200 -0.097 0.000 0.867 25 S HN 0.491 nan 8.310 nan 0.000 0.449 26 L N 1.214 122.382 121.223 -0.092 0.000 1.989 26 L HA -0.165 4.176 4.340 0.001 0.000 0.211 26 L C 2.932 179.821 176.870 0.032 0.000 1.071 26 L CA 1.443 56.279 54.840 -0.007 0.000 0.749 26 L CB -0.520 41.638 42.059 0.164 0.000 0.890 26 L HN 0.245 nan 8.230 nan 0.000 0.431 27 R N -0.382 120.019 120.500 -0.164 0.000 2.083 27 R HA -0.170 4.171 4.340 0.001 0.000 0.237 27 R C 2.202 178.409 176.300 -0.155 0.000 1.137 27 R CA 1.225 57.124 56.100 -0.335 0.000 0.951 27 R CB -0.362 29.602 30.300 -0.560 0.000 0.851 27 R HN 0.389 nan 8.270 nan 0.000 0.434 28 E N -0.150 119.971 120.200 -0.131 0.000 2.208 28 E HA -0.081 4.270 4.350 0.001 0.000 0.193 28 E C 0.675 177.241 176.600 -0.056 0.000 0.988 28 E CA 0.876 57.224 56.400 -0.087 0.000 0.828 28 E CB 0.118 29.769 29.700 -0.082 0.000 0.763 28 E HN 0.553 nan 8.360 nan 0.000 0.478 29 G N 2.227 110.997 108.800 -0.050 0.000 2.225 29 G HA2 -0.322 3.639 3.960 0.001 0.000 0.264 29 G HA3 -0.322 3.639 3.960 0.001 0.000 0.264 29 G C 0.117 174.992 174.900 -0.042 0.000 1.060 29 G CA 0.652 45.731 45.100 -0.036 0.000 0.833 29 G HN 0.235 nan 8.290 nan 0.000 0.498 30 R N 0.306 120.774 120.500 -0.053 0.000 2.308 30 R HA 0.553 4.893 4.340 0.001 0.000 0.305 30 R C 0.839 177.111 176.300 -0.046 0.000 1.053 30 R CA 0.247 56.320 56.100 -0.045 0.000 0.957 30 R CB 0.661 30.933 30.300 -0.046 0.000 1.022 30 R HN 0.283 nan 8.270 nan 0.000 0.461 31 S N 1.959 117.642 115.700 -0.027 0.000 2.565 31 S HA 0.280 4.751 4.470 0.001 0.000 0.276 31 S C 0.818 175.414 174.600 -0.006 0.000 1.326 31 S CA -0.191 57.998 58.200 -0.018 0.000 1.045 31 S CB 1.190 64.389 63.200 -0.002 0.000 0.918 31 S HN 0.805 nan 8.310 nan 0.000 0.505 32 G N 3.676 112.475 108.800 -0.002 0.000 3.453 32 G HA2 0.250 4.211 3.960 0.001 0.000 0.263 32 G HA3 0.250 4.211 3.960 0.001 0.000 0.263 32 G C 0.009 174.937 174.900 0.047 0.000 1.060 32 G CA -0.271 44.835 45.100 0.011 0.000 0.793 32 G HN 0.596 nan 8.290 nan 0.000 0.532 33 I N 2.655 123.263 120.570 0.063 0.000 2.428 33 I HA 0.405 4.576 4.170 0.001 0.000 0.289 33 I C 0.674 176.873 176.117 0.137 0.000 1.019 33 I CA -0.476 60.889 61.300 0.108 0.000 1.351 33 I CB 0.444 38.501 38.000 0.096 0.000 1.412 33 I HN 0.080 nan 8.210 nan 0.000 0.513 34 T N 2.524 117.197 114.554 0.198 0.000 2.864 34 T HA 0.571 4.921 4.350 0.001 0.000 0.289 34 T C -0.539 174.305 174.700 0.241 0.000 1.082 34 T CA -0.744 61.488 62.100 0.220 0.000 1.009 34 T CB 1.786 70.794 68.868 0.233 0.000 1.234 34 T HN 0.239 nan 8.240 nan 0.000 0.526 35 F N 1.250 121.257 119.950 0.095 0.000 2.399 35 F HA 0.600 5.128 4.527 0.001 0.000 0.342 35 F C 0.345 176.120 175.800 -0.042 0.000 1.106 35 F CA -0.168 57.855 58.000 0.038 0.000 1.196 35 F CB 1.111 40.127 39.000 0.027 0.000 1.163 35 F HN 0.669 nan 8.300 nan 0.000 0.547 36 S N 4.634 119.599 115.700 -1.224 0.000 2.640 36 S HA 0.191 4.662 4.470 0.001 0.000 0.320 36 S C 0.439 174.248 174.600 -1.319 0.000 1.097 36 S CA -0.669 56.788 58.200 -1.238 0.000 1.092 36 S CB 1.346 63.443 63.200 -1.838 0.000 0.988 36 S HN 0.886 nan 8.310 nan 0.000 0.470 37 Q N 3.300 122.670 119.800 -0.717 0.000 2.124 37 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 37 Q C 1.800 177.570 176.000 -0.382 0.000 0.977 37 Q CA 2.337 57.941 55.803 -0.332 0.000 0.850 37 Q CB -0.182 28.553 28.738 -0.005 0.000 0.901 37 Q HN 0.921 nan 8.270 nan 0.000 0.429 38 E N -0.611 119.338 120.200 -0.418 0.000 2.085 38 E HA -0.198 4.153 4.350 0.001 0.000 0.194 38 E C 1.792 178.224 176.600 -0.280 0.000 0.994 38 E CA 1.190 57.430 56.400 -0.266 0.000 0.801 38 E CB -0.180 29.461 29.700 -0.099 0.000 0.743 38 E HN 0.429 nan 8.360 nan 0.000 0.453 39 L N 0.704 121.650 121.223 -0.462 0.000 1.994 39 L HA -0.175 4.166 4.340 0.001 0.000 0.208 39 L C 2.924 179.647 176.870 -0.245 0.000 1.071 39 L CA 1.642 56.325 54.840 -0.261 0.000 0.745 39 L CB -0.685 41.167 42.059 -0.344 0.000 0.892 39 L HN 0.203 nan 8.230 nan 0.000 0.431 40 K N 0.335 120.459 120.400 -0.460 0.000 2.020 40 K HA -0.245 4.076 4.320 0.001 0.000 0.212 40 K C 1.700 178.087 176.600 -0.354 0.000 1.050 40 K CA 2.166 58.069 56.287 -0.641 0.000 0.929 40 K CB -0.070 31.949 32.500 -0.801 0.000 0.714 40 K HN 0.216 nan 8.250 nan 0.000 0.443 41 D N 0.162 120.384 120.400 -0.296 0.000 2.158 41 D HA -0.146 4.495 4.640 0.001 0.000 0.197 41 D C 1.889 178.024 176.300 -0.276 0.000 0.995 41 D CA 1.674 55.532 54.000 -0.237 0.000 0.846 41 D CB -0.278 40.397 40.800 -0.208 0.000 0.941 41 D HN 0.365 nan 8.370 nan 0.000 0.456 42 S N -0.988 114.512 115.700 -0.333 0.000 2.547 42 S HA 0.112 4.583 4.470 0.001 0.000 0.235 42 S C 1.729 176.182 174.600 -0.245 0.000 0.980 42 S CA 0.940 58.875 58.200 -0.442 0.000 0.941 42 S CB 0.015 62.919 63.200 -0.494 0.000 0.763 42 S HN 0.368 nan 8.310 nan 0.000 0.532 43 G N 0.551 109.259 108.800 -0.153 0.000 2.141 43 G HA2 -0.224 3.737 3.960 0.001 0.000 0.231 43 G HA3 -0.224 3.737 3.960 0.001 0.000 0.231 43 G C -0.046 174.861 174.900 0.011 0.000 0.984 43 G CA 0.130 45.188 45.100 -0.070 0.000 0.660 43 G HN 0.503 nan 8.290 nan 0.000 0.525 44 M N -0.673 118.953 119.600 0.043 0.000 2.247 44 M HA 0.441 4.922 4.480 0.001 0.000 0.326 44 M C 1.734 178.145 176.300 0.186 0.000 1.134 44 M CA -0.188 55.177 55.300 0.108 0.000 1.136 44 M CB 0.754 33.428 32.600 0.123 0.000 1.454 44 M HN 0.136 nan 8.290 nan 0.000 0.467 45 R N -0.252 120.294 120.500 0.076 0.000 2.246 45 R HA 0.103 4.444 4.340 0.001 0.000 0.199 45 R C 0.394 176.518 176.300 -0.293 0.000 0.984 45 R CA 0.175 56.250 56.100 -0.041 0.000 1.015 45 R CB 0.291 30.568 30.300 -0.038 0.000 0.930 45 R HN 0.522 nan 8.270 nan 0.000 0.475 46 S N 0.235 115.857 115.700 -0.130 0.000 2.438 46 S HA 0.149 4.620 4.470 0.001 0.000 0.293 46 S C -0.158 174.405 174.600 -0.062 0.000 1.141 46 S CA -0.637 57.471 58.200 -0.153 0.000 1.080 46 S CB 0.330 63.499 63.200 -0.052 0.000 0.978 46 S HN 0.356 nan 8.310 nan 0.000 0.479 47 H N 2.612 121.618 119.070 -0.108 0.000 2.512 47 H HA 0.295 4.851 4.556 0.001 0.000 0.276 47 H C -0.044 175.076 175.328 -0.347 0.000 1.126 47 H CA -0.615 55.249 56.048 -0.307 0.000 1.060 47 H CB 0.479 30.070 29.762 -0.285 0.000 1.646 47 H HN 0.439 nan 8.280 nan 0.000 0.571 48 V N -1.860 118.021 119.914 -0.055 0.000 2.547 48 V HA 0.399 4.520 4.120 0.001 0.000 0.299 48 V C -0.784 175.408 176.094 0.162 0.000 1.040 48 V CA -0.874 61.450 62.300 0.041 0.000 0.913 48 V CB 1.826 33.714 31.823 0.108 0.000 0.992 48 V HN 0.181 nan 8.190 nan 0.000 0.449 49 W N 1.938 123.248 121.300 0.018 0.000 2.781 49 W HA 0.811 5.472 4.660 0.001 0.000 0.345 49 W C 0.398 176.938 176.519 0.035 0.000 1.085 49 W CA -1.101 56.259 57.345 0.024 0.000 1.198 49 W CB 2.555 32.023 29.460 0.013 0.000 1.423 49 W HN 0.924 nan 8.180 nan 0.000 0.532 50 G N 3.592 112.497 108.800 0.174 0.000 4.373 50 G HA2 0.150 4.111 3.960 0.001 0.000 0.337 50 G HA3 0.150 4.111 3.960 0.001 0.000 0.337 50 G C -0.433 174.403 174.900 -0.108 0.000 1.442 50 G CA -0.587 44.540 45.100 0.045 0.000 1.150 50 G HN 0.340 nan 8.290 nan 0.000 0.517 51 N N 0.273 118.906 118.700 -0.112 0.000 2.524 51 N HA 0.223 4.964 4.740 0.001 0.000 0.283 51 N C -0.341 175.067 175.510 -0.170 0.000 1.142 51 N CA -0.558 52.335 53.050 -0.262 0.000 0.984 51 N CB 2.168 40.511 38.487 -0.240 0.000 1.155 51 N HN -0.104 nan 8.380 nan 0.000 0.467 52 V N 1.926 121.704 119.914 -0.228 0.000 2.427 52 V HA 0.049 4.170 4.120 0.001 0.000 0.268 52 V C 0.678 176.721 176.094 -0.086 0.000 1.046 52 V CA -0.394 61.782 62.300 -0.208 0.000 0.970 52 V CB 0.206 31.789 31.823 -0.400 0.000 1.001 52 V HN 0.597 nan 8.190 nan 0.000 0.476 53 K N 6.467 126.839 120.400 -0.047 0.000 2.265 53 K HA 0.481 4.802 4.320 0.001 0.000 0.242 53 K C -0.926 175.679 176.600 0.009 0.000 1.137 53 K CA -0.391 55.896 56.287 0.000 0.000 1.082 53 K CB 0.654 33.162 32.500 0.013 0.000 1.731 53 K HN 0.430 nan 8.250 nan 0.000 0.392 54 L N 0.824 122.061 121.223 0.023 0.000 2.614 54 L HA 0.261 4.602 4.340 0.001 0.000 0.264 54 L C -1.611 175.295 176.870 0.059 0.000 0.940 54 L CA -0.459 54.404 54.840 0.038 0.000 0.903 54 L CB 1.996 44.075 42.059 0.034 0.000 1.306 54 L HN 0.212 nan 8.230 nan 0.000 0.410 55 D N 2.331 122.761 120.400 0.049 0.000 2.339 55 D HA 0.216 4.857 4.640 0.001 0.000 0.256 55 D C 0.891 177.220 176.300 0.048 0.000 1.214 55 D CA 0.550 54.579 54.000 0.048 0.000 0.877 55 D CB 1.427 42.249 40.800 0.037 0.000 1.111 55 D HN 0.693 nan 8.370 nan 0.000 0.478 56 T N -0.133 114.451 114.554 0.051 0.000 3.086 56 T HA -0.001 4.350 4.350 0.001 0.000 0.250 56 T C 1.714 176.419 174.700 0.009 0.000 1.074 56 T CA 0.054 62.180 62.100 0.043 0.000 0.988 56 T CB -0.138 68.763 68.868 0.053 0.000 0.988 56 T HN 0.291 nan 8.240 nan 0.000 0.530 57 T N 2.373 116.930 114.554 0.006 0.000 2.522 57 T HA -0.183 4.168 4.350 0.001 0.000 0.253 57 T C 1.836 176.523 174.700 -0.023 0.000 1.218 57 T CA 2.263 64.357 62.100 -0.010 0.000 1.155 57 T CB -0.967 67.901 68.868 -0.001 0.000 0.855 57 T HN 0.660 nan 8.240 nan 0.000 0.435 58 G N -0.473 108.320 108.800 -0.013 0.000 3.502 58 G HA2 0.348 4.309 3.960 0.001 0.000 0.267 58 G HA3 0.348 4.309 3.960 0.001 0.000 0.267 58 G C 0.998 175.888 174.900 -0.016 0.000 1.090 58 G CA -0.228 44.860 45.100 -0.020 0.000 0.795 58 G HN 0.266 nan 8.290 nan 0.000 0.535 59 L N 0.444 121.663 121.223 -0.007 0.000 2.131 59 L HA 0.238 4.579 4.340 0.001 0.000 0.210 59 L C 0.961 177.830 176.870 -0.002 0.000 1.092 59 L CA 1.074 55.926 54.840 0.019 0.000 0.759 59 L CB -0.382 41.706 42.059 0.048 0.000 0.903 59 L HN 0.154 nan 8.230 nan 0.000 0.435 60 I N -1.125 119.389 120.570 -0.094 0.000 2.509 60 I HA 0.194 4.364 4.170 0.001 0.000 0.293 60 I C -0.334 175.675 176.117 -0.180 0.000 1.020 60 I CA -1.058 60.114 61.300 -0.213 0.000 1.088 60 I CB 1.546 39.247 38.000 -0.499 0.000 1.267 60 I HN -0.207 nan 8.210 nan 0.000 0.430 61 D N 4.686 124.994 120.400 -0.153 0.000 2.571 61 D HA -0.046 4.595 4.640 0.001 0.000 0.231 61 D C 1.279 177.498 176.300 -0.136 0.000 1.133 61 D CA 0.359 54.291 54.000 -0.113 0.000 0.862 61 D CB 0.908 41.658 40.800 -0.084 0.000 1.179 61 D HN 0.438 nan 8.370 nan 0.000 0.474 62 R N 2.609 123.044 120.500 -0.108 0.000 2.113 62 R HA -0.201 4.140 4.340 0.001 0.000 0.244 62 R C 1.272 177.484 176.300 -0.146 0.000 1.142 62 R CA 1.363 57.389 56.100 -0.124 0.000 0.953 62 R CB 0.130 30.375 30.300 -0.091 0.000 0.860 62 R HN 0.376 nan 8.270 nan 0.000 0.438 63 K N -0.156 120.187 120.400 -0.095 0.000 2.366 63 K HA -0.013 4.308 4.320 0.001 0.000 0.198 63 K C 1.931 178.535 176.600 0.007 0.000 1.044 63 K CA 0.564 56.815 56.287 -0.060 0.000 0.973 63 K CB 0.301 32.804 32.500 0.004 0.000 0.767 63 K HN 0.116 nan 8.250 nan 0.000 0.475 64 V N 0.367 120.251 119.914 -0.049 0.000 2.403 64 V HA -0.100 4.021 4.120 0.001 0.000 0.239 64 V C 2.070 178.103 176.094 -0.101 0.000 1.041 64 V CA 0.824 63.100 62.300 -0.039 0.000 1.051 64 V CB -0.031 31.700 31.823 -0.152 0.000 0.704 64 V HN -0.002 nan 8.190 nan 0.000 0.472 65 V N 2.417 122.192 119.914 -0.232 0.000 2.867 65 V HA -0.203 3.918 4.120 0.001 0.000 0.260 65 V C 2.617 178.537 176.094 -0.289 0.000 1.099 65 V CA 2.176 64.312 62.300 -0.274 0.000 1.122 65 V CB -0.755 30.901 31.823 -0.278 0.000 0.708 65 V HN 0.676 nan 8.190 nan 0.000 0.490 66 R N -1.604 118.669 120.500 -0.378 0.000 2.316 66 R HA -0.056 4.285 4.340 0.001 0.000 0.202 66 R C 1.447 177.239 176.300 -0.846 0.000 1.029 66 R CA 1.436 57.127 56.100 -0.682 0.000 1.018 66 R CB -0.412 29.314 30.300 -0.958 0.000 0.888 66 R HN 0.498 nan 8.270 nan 0.000 0.471 67 F N 0.761 120.460 119.950 -0.417 0.000 2.721 67 F HA 0.384 4.911 4.527 0.001 0.000 0.301 67 F C 0.752 176.399 175.800 -0.255 0.000 1.096 67 F CA -0.229 57.614 58.000 -0.262 0.000 1.308 67 F CB 0.355 39.268 39.000 -0.145 0.000 1.086 67 F HN -0.112 nan 8.300 nan 0.000 0.587 68 M N -0.454 119.063 119.600 -0.138 0.000 2.528 68 M HA 0.417 4.898 4.480 0.001 0.000 0.318 68 M C 0.357 176.472 176.300 -0.309 0.000 1.195 68 M CA -0.669 54.519 55.300 -0.187 0.000 1.000 68 M CB 1.614 34.111 32.600 -0.170 0.000 1.615 68 M HN -0.042 nan 8.290 nan 0.000 0.469 69 S N -0.924 114.624 115.700 -0.252 0.000 2.766 69 S HA 0.390 4.861 4.470 0.001 0.000 0.307 69 S C 0.177 174.676 174.600 -0.169 0.000 1.121 69 S CA -0.765 57.309 58.200 -0.209 0.000 0.980 69 S CB 1.281 64.408 63.200 -0.121 0.000 1.159 69 S HN 0.673 nan 8.310 nan 0.000 0.546 70 D N 1.147 121.448 120.400 -0.165 0.000 2.123 70 D HA -0.047 4.594 4.640 0.001 0.000 0.196 70 D C 2.190 178.166 176.300 -0.540 0.000 0.992 70 D CA 1.949 55.680 54.000 -0.448 0.000 0.833 70 D CB -0.863 39.675 40.800 -0.436 0.000 0.954 70 D HN 0.680 nan 8.370 nan 0.000 0.455 71 A N 0.378 123.072 122.820 -0.210 0.000 1.883 71 A HA -0.186 4.135 4.320 0.001 0.000 0.217 71 A C 2.436 180.011 177.584 -0.014 0.000 1.186 71 A CA 2.090 54.100 52.037 -0.044 0.000 0.624 71 A CB -0.619 18.394 19.000 0.022 0.000 0.822 71 A HN 0.193 nan 8.150 nan 0.000 0.444 72 S N -0.349 115.326 115.700 -0.041 0.000 2.383 72 S HA -0.060 4.411 4.470 0.001 0.000 0.227 72 S C 1.799 176.424 174.600 0.041 0.000 1.026 72 S CA 1.307 59.516 58.200 0.015 0.000 0.981 72 S CB -0.450 62.743 63.200 -0.011 0.000 0.818 72 S HN 0.529 nan 8.310 nan 0.000 0.472 73 I N 0.409 120.928 120.570 -0.085 0.000 2.226 73 I HA -0.206 3.965 4.170 0.001 0.000 0.245 73 I C 2.043 178.232 176.117 0.120 0.000 1.100 73 I CA 1.263 62.524 61.300 -0.066 0.000 1.374 73 I CB -0.343 37.529 38.000 -0.213 0.000 1.057 73 I HN 0.255 nan 8.210 nan 0.000 0.413 74 Y N 0.674 121.012 120.300 0.063 0.000 2.181 74 Y HA -0.162 4.388 4.550 0.001 0.000 0.288 74 Y C 2.628 178.569 175.900 0.068 0.000 1.146 74 Y CA 0.715 58.847 58.100 0.053 0.000 1.164 74 Y CB -1.289 37.180 38.460 0.015 0.000 0.982 74 Y HN 0.125 nan 8.280 nan 0.000 0.515 75 A N -0.553 122.405 122.820 0.230 0.000 1.930 75 A HA -0.175 4.145 4.320 0.001 0.000 0.217 75 A C 2.176 179.843 177.584 0.138 0.000 1.175 75 A CA 1.193 53.312 52.037 0.135 0.000 0.627 75 A CB -1.295 17.763 19.000 0.097 0.000 0.815 75 A HN 0.404 nan 8.150 nan 0.000 0.443 76 F N 0.778 120.773 119.950 0.074 0.000 2.102 76 F HA -0.150 4.377 4.527 0.001 0.000 0.298 76 F C 1.890 177.772 175.800 0.137 0.000 1.105 76 F CA 1.811 59.895 58.000 0.140 0.000 1.239 76 F CB -0.277 38.802 39.000 0.132 0.000 0.991 76 F HN 0.135 nan 8.300 nan 0.000 0.474 77 L N -0.770 120.698 121.223 0.408 0.000 2.131 77 L HA -0.213 4.128 4.340 0.001 0.000 0.210 77 L C 2.483 179.402 176.870 0.083 0.000 1.092 77 L CA 1.308 56.305 54.840 0.262 0.000 0.759 77 L CB -0.895 41.313 42.059 0.248 0.000 0.903 77 L HN 0.093 nan 8.230 nan 0.000 0.435 78 S N -0.405 115.326 115.700 0.053 0.000 2.383 78 S HA -0.178 4.293 4.470 0.001 0.000 0.227 78 S C 1.929 176.465 174.600 -0.106 0.000 1.026 78 S CA 1.337 59.526 58.200 -0.018 0.000 0.981 78 S CB -0.164 63.028 63.200 -0.012 0.000 0.818 78 S HN 0.354 nan 8.310 nan 0.000 0.472 79 M N 1.373 120.847 119.600 -0.210 0.000 2.175 79 M HA -0.105 4.375 4.480 0.001 0.000 0.264 79 M C 1.980 178.015 176.300 -0.443 0.000 1.063 79 M CA 1.398 56.431 55.300 -0.445 0.000 1.119 79 M CB -0.100 31.989 32.600 -0.851 0.000 1.377 79 M HN 0.252 nan 8.290 nan 0.000 0.415 80 E N -0.127 119.905 120.200 -0.280 0.000 2.023 80 E HA -0.272 4.079 4.350 0.001 0.000 0.196 80 E C 2.004 178.555 176.600 -0.082 0.000 1.003 80 E CA 1.959 58.284 56.400 -0.125 0.000 0.809 80 E CB -0.148 29.542 29.700 -0.017 0.000 0.755 80 E HN 0.654 nan 8.360 nan 0.000 0.449 81 Q N -0.023 119.748 119.800 -0.049 0.000 2.077 81 Q HA -0.215 4.126 4.340 0.001 0.000 0.206 81 Q C 2.238 178.225 176.000 -0.022 0.000 0.989 81 Q CA 1.449 57.242 55.803 -0.017 0.000 0.853 81 Q CB -0.268 28.467 28.738 -0.004 0.000 0.907 81 Q HN 0.247 nan 8.270 nan 0.000 0.418 82 A N 1.200 123.987 122.820 -0.055 0.000 1.902 82 A HA -0.178 4.143 4.320 0.001 0.000 0.217 82 A C 2.086 179.669 177.584 -0.002 0.000 1.181 82 A CA 1.254 53.278 52.037 -0.023 0.000 0.623 82 A CB -0.684 18.299 19.000 -0.030 0.000 0.818 82 A HN 0.319 nan 8.150 nan 0.000 0.443 83 I N -0.398 120.121 120.570 -0.085 0.000 2.286 83 I HA -0.275 3.896 4.170 0.001 0.000 0.248 83 I C 2.904 179.023 176.117 0.003 0.000 1.115 83 I CA 1.098 62.347 61.300 -0.085 0.000 1.392 83 I CB -0.403 37.417 38.000 -0.300 0.000 1.065 83 I HN 0.382 nan 8.210 nan 0.000 0.418 84 A N 0.289 123.114 122.820 0.008 0.000 1.929 84 A HA -0.242 4.079 4.320 0.001 0.000 0.216 84 A C 1.985 179.597 177.584 0.047 0.000 1.176 84 A CA 1.933 53.992 52.037 0.036 0.000 0.628 84 A CB -0.565 18.454 19.000 0.032 0.000 0.816 84 A HN 0.372 nan 8.150 nan 0.000 0.444 85 D N 0.013 120.446 120.400 0.055 0.000 2.144 85 D HA -0.012 4.628 4.640 0.001 0.000 0.199 85 D C 1.797 178.160 176.300 0.104 0.000 0.984 85 D CA 1.424 55.477 54.000 0.088 0.000 0.834 85 D CB -0.137 40.739 40.800 0.127 0.000 0.955 85 D HN 0.335 nan 8.370 nan 0.000 0.465 86 A N -0.810 122.067 122.820 0.095 0.000 2.238 86 A HA 0.400 4.721 4.320 0.001 0.000 0.208 86 A C 1.791 179.423 177.584 0.080 0.000 1.177 86 A CA 0.949 53.041 52.037 0.092 0.000 0.804 86 A CB -0.653 18.387 19.000 0.067 0.000 0.823 86 A HN 0.380 nan 8.150 nan 0.000 0.482 87 G N -1.128 107.716 108.800 0.074 0.000 2.203 87 G HA2 -0.208 3.753 3.960 0.001 0.000 0.263 87 G HA3 -0.208 3.753 3.960 0.001 0.000 0.263 87 G C -0.142 174.817 174.900 0.098 0.000 1.012 87 G CA 0.369 45.512 45.100 0.071 0.000 0.749 87 G HN 0.331 nan 8.290 nan 0.000 0.512 88 L N 1.885 123.186 121.223 0.130 0.000 2.315 88 L HA 0.490 4.831 4.340 0.001 0.000 0.283 88 L C 1.311 178.345 176.870 0.272 0.000 1.089 88 L CA -0.178 54.791 54.840 0.216 0.000 0.833 88 L CB 0.801 43.025 42.059 0.275 0.000 1.170 88 L HN 0.494 nan 8.230 nan 0.000 0.442 89 S N 4.407 120.234 115.700 0.210 0.000 2.580 89 S HA 0.387 4.858 4.470 0.001 0.000 0.274 89 S C -1.721 172.972 174.600 0.157 0.000 1.329 89 S CA -1.037 57.258 58.200 0.158 0.000 1.036 89 S CB 0.872 64.118 63.200 0.076 0.000 0.919 89 S HN 0.464 nan 8.310 nan 0.000 0.515 90 P HA -0.236 nan 4.420 nan 0.000 0.217 90 P C 1.409 178.476 177.300 -0.388 0.000 1.162 90 P CA 1.663 64.627 63.100 -0.227 0.000 0.901 90 P CB -0.123 31.515 31.700 -0.103 0.000 0.793 91 E N -0.580 119.522 120.200 -0.164 0.000 2.463 91 E HA -0.112 4.239 4.350 0.001 0.000 0.201 91 E C 1.678 178.222 176.600 -0.095 0.000 1.045 91 E CA 1.331 57.652 56.400 -0.132 0.000 0.872 91 E CB -0.851 28.810 29.700 -0.064 0.000 0.797 91 E HN 0.258 nan 8.360 nan 0.000 0.538 92 A N 0.876 123.670 122.820 -0.044 0.000 1.984 92 A HA -0.008 4.313 4.320 0.001 0.000 0.214 92 A C 1.703 179.361 177.584 0.125 0.000 1.173 92 A CA 0.771 52.849 52.037 0.068 0.000 0.673 92 A CB -0.381 18.710 19.000 0.152 0.000 0.830 92 A HN 0.434 nan 8.150 nan 0.000 0.453 93 Y N -1.539 118.814 120.300 0.089 0.000 2.426 93 Y HA 0.450 5.001 4.550 0.001 0.000 0.249 93 Y C 0.591 176.531 175.900 0.068 0.000 1.103 93 Y CA -0.711 57.462 58.100 0.122 0.000 1.256 93 Y CB -0.215 38.403 38.460 0.263 0.000 1.208 93 Y HN 0.168 nan 8.280 nan 0.000 0.519 94 Q N 1.812 121.291 119.800 -0.534 0.000 2.306 94 Q HA 0.189 4.529 4.340 0.001 0.000 0.241 94 Q C -0.405 175.400 176.000 -0.324 0.000 0.948 94 Q CA -0.225 55.347 55.803 -0.384 0.000 0.886 94 Q CB 0.494 28.947 28.738 -0.475 0.000 1.227 94 Q HN 0.499 nan 8.270 nan 0.000 0.457 95 N N 1.103 119.492 118.700 -0.518 0.000 2.708 95 N HA -0.239 4.502 4.740 0.001 0.000 0.251 95 N C -1.047 174.159 175.510 -0.508 0.000 1.017 95 N CA 0.353 52.761 53.050 -1.069 0.000 0.742 95 N CB -0.835 37.302 38.487 -0.584 0.000 0.943 95 N HN 0.437 nan 8.380 nan 0.000 0.539 96 N N -0.351 118.201 118.700 -0.246 0.000 2.483 96 N HA 0.313 5.053 4.740 0.001 0.000 0.267 96 N C -2.089 173.466 175.510 0.074 0.000 0.998 96 N CA -2.421 50.611 53.050 -0.029 0.000 0.918 96 N CB 1.514 40.000 38.487 -0.001 0.000 1.215 96 N HN -0.195 nan 8.380 nan 0.000 0.500 97 P HA -0.045 nan 4.420 nan 0.000 0.223 97 P C 0.516 177.853 177.300 0.061 0.000 1.144 97 P CA 1.021 64.189 63.100 0.114 0.000 0.783 97 P CB 0.335 32.089 31.700 0.091 0.000 0.771 98 R N -1.100 119.421 120.500 0.034 0.000 2.359 98 R HA 0.212 4.553 4.340 0.001 0.000 0.231 98 R C -0.144 176.133 176.300 -0.037 0.000 0.913 98 R CA 0.096 56.190 56.100 -0.009 0.000 1.075 98 R CB 0.243 30.526 30.300 -0.028 0.000 1.087 98 R HN 0.132 nan 8.270 nan 0.000 0.515 99 V N 0.633 120.556 119.914 0.014 0.000 2.409 99 V HA 0.580 4.701 4.120 0.001 0.000 0.291 99 V C 0.474 176.611 176.094 0.072 0.000 1.020 99 V CA -0.747 61.571 62.300 0.030 0.000 0.848 99 V CB 1.642 33.547 31.823 0.137 0.000 0.990 99 V HN 0.288 nan 8.190 nan 0.000 0.430 100 G N 3.830 112.644 108.800 0.024 0.000 3.013 100 G HA2 0.777 4.738 3.960 0.001 0.000 0.278 100 G HA3 0.777 4.738 3.960 0.001 0.000 0.278 100 G C -1.661 173.279 174.900 0.066 0.000 1.353 100 G CA -0.626 44.486 45.100 0.019 0.000 1.043 100 G HN 0.519 nan 8.290 nan 0.000 0.523 101 L N 0.347 121.554 121.223 -0.027 0.000 2.516 101 L HA 0.616 4.957 4.340 0.001 0.000 0.267 101 L C -1.516 175.256 176.870 -0.163 0.000 0.957 101 L CA -0.521 54.303 54.840 -0.026 0.000 0.860 101 L CB 1.292 43.346 42.059 -0.009 0.000 1.265 101 L HN 0.512 nan 8.230 nan 0.000 0.403 102 I N 5.065 125.549 120.570 -0.142 0.000 2.521 102 I HA 0.626 4.796 4.170 0.001 0.000 0.277 102 I C -0.314 175.771 176.117 -0.054 0.000 1.054 102 I CA -0.212 60.988 61.300 -0.168 0.000 1.117 102 I CB 1.757 39.644 38.000 -0.189 0.000 1.217 102 I HN 0.727 nan 8.210 nan 0.000 0.469 103 A N 4.165 126.975 122.820 -0.017 0.000 2.515 103 A HA 0.994 5.315 4.320 0.001 0.000 0.298 103 A C -0.558 177.050 177.584 0.040 0.000 1.059 103 A CA -0.470 51.571 52.037 0.007 0.000 0.698 103 A CB 1.958 20.953 19.000 -0.008 0.000 1.289 103 A HN 0.715 nan 8.150 nan 0.000 0.404 104 G N -0.408 108.419 108.800 0.045 0.000 2.749 104 G HA2 0.798 4.759 3.960 0.001 0.000 0.300 104 G HA3 0.798 4.759 3.960 0.001 0.000 0.300 104 G C -0.582 174.350 174.900 0.054 0.000 1.352 104 G CA 0.237 45.373 45.100 0.059 0.000 0.789 104 G HN 1.896 nan 8.290 nan 0.000 0.509 105 S N -2.033 113.702 115.700 0.059 0.000 2.627 105 S HA 0.689 5.160 4.470 0.001 0.000 0.283 105 S C 0.980 175.617 174.600 0.062 0.000 1.127 105 S CA 0.314 58.548 58.200 0.057 0.000 0.863 105 S CB 1.544 64.779 63.200 0.059 0.000 1.121 105 S HN 1.560 nan 8.310 nan 0.000 0.479 106 G N -0.352 108.483 108.800 0.059 0.000 2.453 106 G HA2 0.351 4.312 3.960 0.001 0.000 0.215 106 G HA3 0.351 4.312 3.960 0.001 0.000 0.215 106 G C 0.845 175.795 174.900 0.083 0.000 1.147 106 G CA 0.342 45.483 45.100 0.068 0.000 0.802 106 G HN 1.234 nan 8.290 nan 0.000 0.535 107 G N -1.238 107.613 108.800 0.084 0.000 3.528 107 G HA2 0.462 4.423 3.960 0.001 0.000 0.266 107 G HA3 0.462 4.423 3.960 0.001 0.000 0.266 107 G C 1.048 175.992 174.900 0.073 0.000 1.004 107 G CA 0.800 45.952 45.100 0.086 0.000 0.853 107 G HN 1.049 nan 8.290 nan 0.000 0.501 108 G N 0.541 109.382 108.800 0.068 0.000 2.601 108 G HA2 -0.227 3.734 3.960 0.001 0.000 0.306 108 G HA3 -0.227 3.734 3.960 0.001 0.000 0.306 108 G C 0.477 175.419 174.900 0.070 0.000 1.172 108 G CA 0.808 45.946 45.100 0.064 0.000 0.966 108 G HN 1.426 nan 8.290 nan 0.000 0.542 109 S N 1.665 117.417 115.700 0.086 0.000 2.293 109 S HA 0.629 5.100 4.470 0.001 0.000 0.154 109 S C -1.277 173.390 174.600 0.113 0.000 1.602 109 S CA 0.099 58.372 58.200 0.122 0.000 1.260 109 S CB 1.544 64.862 63.200 0.197 0.000 1.270 109 S HN 0.291 nan 8.310 nan 0.000 0.416 110 P HA -0.135 nan 4.420 nan 0.000 0.216 110 P C 1.490 178.765 177.300 -0.042 0.000 1.150 110 P CA 0.777 63.877 63.100 0.000 0.000 0.843 110 P CB 0.109 31.788 31.700 -0.036 0.000 0.787 111 R N -1.008 119.452 120.500 -0.067 0.000 2.091 111 R HA -0.125 4.216 4.340 0.001 0.000 0.238 111 R C 1.777 177.966 176.300 -0.185 0.000 1.136 111 R CA 1.627 57.619 56.100 -0.179 0.000 0.959 111 R CB -0.879 29.290 30.300 -0.219 0.000 0.856 111 R HN 0.118 nan 8.270 nan 0.000 0.437 112 F N 0.187 120.161 119.950 0.040 0.000 2.664 112 F HA 0.130 4.658 4.527 0.001 0.000 0.296 112 F C 2.351 178.245 175.800 0.157 0.000 1.125 112 F CA 0.515 58.591 58.000 0.127 0.000 1.444 112 F CB 0.153 39.188 39.000 0.058 0.000 1.114 112 F HN 0.097 nan 8.300 nan 0.000 0.576 113 Q N -0.354 119.572 119.800 0.209 0.000 2.123 113 Q HA -0.110 4.231 4.340 0.001 0.000 0.199 113 Q C 2.257 178.311 176.000 0.090 0.000 0.966 113 Q CA 1.266 57.152 55.803 0.138 0.000 0.845 113 Q CB -0.005 28.783 28.738 0.084 0.000 0.907 113 Q HN 0.240 nan 8.270 nan 0.000 0.439 114 V N 0.276 120.219 119.914 0.049 0.000 2.488 114 V HA -0.194 3.927 4.120 0.001 0.000 0.246 114 V C 1.792 177.906 176.094 0.033 0.000 1.046 114 V CA 1.416 63.725 62.300 0.016 0.000 1.053 114 V CB -0.523 31.270 31.823 -0.050 0.000 0.679 114 V HN 0.377 nan 8.190 nan 0.000 0.458 115 F N 2.273 122.175 119.950 -0.080 0.000 2.102 115 F HA -0.034 4.495 4.527 0.002 0.000 0.298 115 F C 2.171 177.977 175.800 0.010 0.000 1.105 115 F CA 1.835 59.788 58.000 -0.078 0.000 1.239 115 F CB -0.839 38.027 39.000 -0.224 0.000 0.991 115 F HN 0.130 nan 8.300 nan 0.000 0.474 116 G N -0.064 108.755 108.800 0.031 0.000 2.421 116 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 116 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 116 G C 1.815 176.632 174.900 -0.138 0.000 1.171 116 G CA 0.918 45.981 45.100 -0.061 0.000 0.775 116 G HN 0.645 nan 8.290 nan 0.000 0.543 117 A N 0.962 123.742 122.820 -0.067 0.000 1.902 117 A HA -0.047 4.274 4.320 0.001 0.000 0.217 117 A C 2.115 179.642 177.584 -0.096 0.000 1.181 117 A CA 2.126 54.129 52.037 -0.056 0.000 0.623 117 A CB -0.421 18.570 19.000 -0.014 0.000 0.818 117 A HN 0.280 nan 8.150 nan 0.000 0.443 118 D N 0.110 120.432 120.400 -0.131 0.000 2.097 118 D HA -0.052 4.589 4.640 0.001 0.000 0.195 118 D C 2.293 178.475 176.300 -0.196 0.000 0.989 118 D CA 1.570 55.492 54.000 -0.131 0.000 0.827 118 D CB -0.523 40.209 40.800 -0.114 0.000 0.966 118 D HN 0.401 nan 8.370 nan 0.000 0.456 119 A N 0.870 123.468 122.820 -0.370 0.000 1.865 119 A HA -0.215 4.106 4.320 0.001 0.000 0.217 119 A C 2.191 179.659 177.584 -0.193 0.000 1.191 119 A CA 2.177 53.987 52.037 -0.379 0.000 0.623 119 A CB -0.672 17.920 19.000 -0.681 0.000 0.826 119 A HN 0.210 nan 8.150 nan 0.000 0.444 120 M N -0.282 119.223 119.600 -0.157 0.000 2.213 120 M HA -0.077 4.404 4.480 0.001 0.000 0.263 120 M C 1.800 178.061 176.300 -0.064 0.000 1.062 120 M CA 1.505 56.753 55.300 -0.086 0.000 1.105 120 M CB -0.357 32.206 32.600 -0.062 0.000 1.385 120 M HN 0.358 nan 8.290 nan 0.000 0.417 121 R N -0.046 120.413 120.500 -0.069 0.000 2.313 121 R HA 0.197 4.538 4.340 0.001 0.000 0.199 121 R C 1.037 177.312 176.300 -0.042 0.000 0.958 121 R CA 0.312 56.385 56.100 -0.046 0.000 1.047 121 R CB -0.280 29.997 30.300 -0.038 0.000 0.955 121 R HN 0.478 nan 8.270 nan 0.000 0.481 122 G N 0.937 109.704 108.800 -0.056 0.000 2.537 122 G HA2 0.151 4.112 3.960 0.001 0.000 0.297 122 G HA3 0.151 4.112 3.960 0.001 0.000 0.297 122 G C -1.553 173.328 174.900 -0.031 0.000 1.310 122 G CA -0.991 44.084 45.100 -0.043 0.000 1.027 122 G HN -0.091 nan 8.290 nan 0.000 0.505 123 P HA -0.048 nan 4.420 nan 0.000 0.222 123 P C 1.213 178.505 177.300 -0.013 0.000 1.147 123 P CA 0.782 63.874 63.100 -0.014 0.000 0.790 123 P CB 0.346 32.041 31.700 -0.008 0.000 0.780 124 R N -0.920 119.570 120.500 -0.017 0.000 2.312 124 R HA 0.181 4.521 4.340 0.001 0.000 0.205 124 R C 1.689 177.978 176.300 -0.019 0.000 0.904 124 R CA 0.611 56.703 56.100 -0.013 0.000 1.052 124 R CB -0.236 30.061 30.300 -0.004 0.000 1.014 124 R HN 0.177 nan 8.270 nan 0.000 0.503 125 G N 2.128 110.910 108.800 -0.030 0.000 2.698 125 G HA2 -0.390 3.571 3.960 0.001 0.000 0.337 125 G HA3 -0.390 3.571 3.960 0.001 0.000 0.337 125 G C 0.803 175.684 174.900 -0.032 0.000 1.286 125 G CA 0.572 45.652 45.100 -0.033 0.000 1.000 125 G HN 0.200 nan 8.290 nan 0.000 0.547 126 L N 1.284 122.494 121.223 -0.021 0.000 2.127 126 L HA -0.010 4.330 4.340 0.001 0.000 0.211 126 L C 2.934 179.799 176.870 -0.010 0.000 1.089 126 L CA 2.481 57.312 54.840 -0.016 0.000 0.757 126 L CB -0.668 41.383 42.059 -0.013 0.000 0.899 126 L HN 0.538 nan 8.230 nan 0.000 0.434 127 K N -1.042 119.353 120.400 -0.007 0.000 2.148 127 K HA -0.038 4.283 4.320 0.001 0.000 0.204 127 K C 1.942 178.555 176.600 0.022 0.000 1.050 127 K CA 1.266 57.555 56.287 0.003 0.000 0.942 127 K CB -0.094 32.408 32.500 0.003 0.000 0.724 127 K HN 0.342 nan 8.250 nan 0.000 0.446 128 A N 0.630 123.456 122.820 0.010 0.000 2.021 128 A HA -0.025 4.296 4.320 0.001 0.000 0.216 128 A C 2.280 179.894 177.584 0.051 0.000 1.163 128 A CA 0.608 52.661 52.037 0.026 0.000 0.676 128 A CB -0.151 18.829 19.000 -0.034 0.000 0.818 128 A HN 0.031 nan 8.150 nan 0.000 0.453 129 V N -0.439 119.481 119.914 0.010 0.000 2.307 129 V HA 0.202 4.323 4.120 0.001 0.000 0.245 129 V C 1.637 177.860 176.094 0.217 0.000 1.045 129 V CA 1.220 63.558 62.300 0.063 0.000 1.024 129 V CB -1.757 30.075 31.823 0.016 0.000 0.651 129 V HN 1.153 nan 8.190 nan 0.000 0.449 130 G N 0.639 109.495 108.800 0.095 0.000 2.795 130 G HA2 -0.132 3.828 3.960 0.001 0.000 0.664 130 G HA3 -0.132 3.828 3.960 0.001 0.000 0.664 130 G C -1.957 172.891 174.900 -0.086 0.000 1.381 130 G CA -0.094 45.020 45.100 0.023 0.000 0.853 130 G HN 0.328 nan 8.290 nan 0.000 0.545 131 P HA 0.330 nan 4.420 nan 0.000 0.259 131 P C -0.075 176.915 177.300 -0.517 0.000 1.530 131 P CA 0.415 63.256 63.100 -0.431 0.000 1.022 131 P CB -0.068 31.316 31.700 -0.526 0.000 1.514 132 Y N -1.798 118.482 120.300 -0.033 0.000 2.588 132 Y HA 0.136 4.687 4.550 0.002 0.000 0.247 132 Y C 2.018 177.880 175.900 -0.064 0.000 1.157 132 Y CA -0.241 57.803 58.100 -0.094 0.000 1.215 132 Y CB -0.185 38.113 38.460 -0.269 0.000 1.245 132 Y HN -0.277 nan 8.280 nan 0.000 0.534 133 V N -1.511 118.484 119.914 0.136 0.000 2.548 133 V HA -0.178 3.943 4.120 0.001 0.000 0.249 133 V C 2.018 178.174 176.094 0.104 0.000 1.055 133 V CA 1.349 63.738 62.300 0.150 0.000 1.065 133 V CB -0.706 31.288 31.823 0.284 0.000 0.681 133 V HN 0.218 nan 8.190 nan 0.000 0.462 134 V N 1.462 121.435 119.914 0.099 0.000 2.261 134 V HA -0.259 3.861 4.120 0.001 0.000 0.246 134 V C 2.884 179.022 176.094 0.074 0.000 1.047 134 V CA 2.674 65.025 62.300 0.085 0.000 1.015 134 V CB -1.270 30.599 31.823 0.077 0.000 0.642 134 V HN 0.797 nan 8.190 nan 0.000 0.446 135 T N -1.930 112.685 114.554 0.101 0.000 2.915 135 T HA -0.175 4.176 4.350 0.001 0.000 0.269 135 T C 1.728 176.436 174.700 0.013 0.000 1.071 135 T CA 1.304 63.454 62.100 0.084 0.000 1.132 135 T CB -0.248 68.727 68.868 0.178 0.000 0.878 135 T HN 0.471 nan 8.240 nan 0.000 0.479 136 K N 0.959 121.323 120.400 -0.060 0.000 2.137 136 K HA 0.350 4.671 4.320 0.001 0.000 0.202 136 K C 2.595 179.153 176.600 -0.069 0.000 1.052 136 K CA 0.911 57.067 56.287 -0.218 0.000 0.961 136 K CB -0.101 31.989 32.500 -0.683 0.000 0.741 136 K HN 0.420 nan 8.250 nan 0.000 0.452 137 A N 1.796 124.633 122.820 0.028 0.000 2.095 137 A HA 0.100 4.421 4.320 0.001 0.000 0.212 137 A C 1.197 178.824 177.584 0.072 0.000 1.162 137 A CA -0.193 51.903 52.037 0.098 0.000 0.753 137 A CB -0.337 18.754 19.000 0.151 0.000 0.840 137 A HN 0.314 nan 8.150 nan 0.000 0.468 138 M N -1.239 118.395 119.600 0.056 0.000 2.252 138 M HA 0.438 4.918 4.480 0.001 0.000 0.333 138 M C 0.924 177.254 176.300 0.049 0.000 1.111 138 M CA 0.493 55.824 55.300 0.051 0.000 1.140 138 M CB 0.528 33.156 32.600 0.046 0.000 1.538 138 M HN 0.071 nan 8.290 nan 0.000 0.448 139 A N 2.469 125.319 122.820 0.050 0.000 1.978 139 A HA -0.122 4.198 4.320 0.001 0.000 0.220 139 A C 2.075 179.692 177.584 0.054 0.000 1.170 139 A CA 2.060 54.128 52.037 0.053 0.000 0.636 139 A CB -0.996 18.034 19.000 0.051 0.000 0.810 139 A HN 1.032 nan 8.150 nan 0.000 0.448 140 S N -0.773 114.959 115.700 0.053 0.000 2.631 140 S HA 0.262 4.732 4.470 0.001 0.000 0.217 140 S C 1.689 176.320 174.600 0.050 0.000 0.958 140 S CA 0.636 58.872 58.200 0.060 0.000 0.920 140 S CB -0.473 62.766 63.200 0.066 0.000 0.776 140 S HN 0.614 nan 8.310 nan 0.000 0.517 141 G N 2.238 111.063 108.800 0.041 0.000 2.513 141 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 141 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 141 G C 1.323 176.244 174.900 0.034 0.000 1.160 141 G CA 1.246 46.363 45.100 0.028 0.000 0.767 141 G HN 0.485 nan 8.290 nan 0.000 0.571 142 V N 1.678 121.617 119.914 0.042 0.000 2.332 142 V HA -0.225 3.895 4.120 0.001 0.000 0.248 142 V C 3.261 179.388 176.094 0.054 0.000 1.055 142 V CA 2.560 64.891 62.300 0.051 0.000 1.038 142 V CB -0.446 31.408 31.823 0.051 0.000 0.651 142 V HN 0.652 nan 8.190 nan 0.000 0.450 143 S N 0.457 116.186 115.700 0.049 0.000 2.388 143 S HA 0.010 4.480 4.470 0.001 0.000 0.223 143 S C 2.130 176.757 174.600 0.044 0.000 1.034 143 S CA 0.948 59.172 58.200 0.039 0.000 0.963 143 S CB -0.392 62.832 63.200 0.040 0.000 0.827 143 S HN 0.530 nan 8.310 nan 0.000 0.481 144 A N 0.959 123.805 122.820 0.042 0.000 1.902 144 A HA -0.071 4.250 4.320 0.001 0.000 0.217 144 A C 2.325 179.923 177.584 0.023 0.000 1.181 144 A CA 1.573 53.625 52.037 0.025 0.000 0.623 144 A CB -1.475 17.532 19.000 0.011 0.000 0.818 144 A HN 0.694 nan 8.150 nan 0.000 0.443 145 C N -0.560 118.765 119.300 0.042 0.000 2.522 145 C HA 0.213 4.674 4.460 0.001 0.000 0.271 145 C C 2.264 177.364 174.990 0.182 0.000 1.425 145 C CA 0.322 59.377 59.018 0.063 0.000 1.751 145 C CB -1.304 26.465 27.740 0.048 0.000 1.775 145 C HN 0.559 nan 8.230 nan 0.000 0.557 146 L N -0.083 121.257 121.223 0.195 0.000 2.362 146 L HA 0.138 4.479 4.340 0.001 0.000 0.204 146 L C 2.797 179.839 176.870 0.286 0.000 1.060 146 L CA 1.120 56.148 54.840 0.312 0.000 0.827 146 L CB -1.231 40.902 42.059 0.123 0.000 1.027 146 L HN 0.194 nan 8.230 nan 0.000 0.474 147 A N 0.200 123.101 122.820 0.135 0.000 1.972 147 A HA -0.149 4.172 4.320 0.001 0.000 0.219 147 A C 2.292 179.954 177.584 0.131 0.000 1.169 147 A CA 2.205 54.310 52.037 0.113 0.000 0.635 147 A CB -0.667 18.370 19.000 0.062 0.000 0.810 147 A HN 0.363 nan 8.150 nan 0.000 0.446 148 T N 0.366 114.975 114.554 0.092 0.000 2.698 148 T HA -0.044 4.307 4.350 0.001 0.000 0.260 148 T C -0.091 174.640 174.700 0.051 0.000 1.044 148 T CA 1.492 63.619 62.100 0.044 0.000 1.149 148 T CB -1.000 67.842 68.868 -0.043 0.000 0.864 148 T HN 0.487 nan 8.240 nan 0.000 0.419 149 P HA 0.005 nan 4.420 nan 0.000 0.219 149 P C 0.824 178.066 177.300 -0.097 0.000 1.150 149 P CA 1.049 64.130 63.100 -0.032 0.000 0.814 149 P CB -0.262 31.432 31.700 -0.010 0.000 0.787 150 F N 0.031 120.008 119.950 0.045 0.000 2.811 150 F HA 0.175 4.703 4.527 0.001 0.000 0.301 150 F C 0.913 176.755 175.800 0.071 0.000 1.151 150 F CA 0.265 58.296 58.000 0.053 0.000 1.412 150 F CB -0.722 38.230 39.000 -0.081 0.000 1.113 150 F HN -0.194 nan 8.300 nan 0.000 0.579 151 K N 0.649 121.146 120.400 0.161 0.000 3.150 151 K HA -0.180 4.141 4.320 0.001 0.000 0.267 151 K C -0.580 176.082 176.600 0.104 0.000 1.028 151 K CA 0.020 56.362 56.287 0.091 0.000 0.753 151 K CB -1.478 31.004 32.500 -0.030 0.000 1.288 151 K HN 0.097 nan 8.250 nan 0.000 0.473 152 I N 0.915 121.600 120.570 0.191 0.000 2.496 152 I HA 0.007 4.178 4.170 0.001 0.000 0.285 152 I C 1.663 177.969 176.117 0.315 0.000 1.080 152 I CA 0.448 61.869 61.300 0.201 0.000 1.404 152 I CB 0.841 38.937 38.000 0.160 0.000 1.403 152 I HN 0.339 nan 8.210 nan 0.000 0.539 153 H N 3.241 122.348 119.070 0.061 0.000 2.874 153 H HA 0.166 4.723 4.556 0.002 0.000 0.264 153 H C 1.360 176.704 175.328 0.027 0.000 1.007 153 H CA 0.010 56.080 56.048 0.036 0.000 1.207 153 H CB 1.425 31.204 29.762 0.030 0.000 1.487 153 H HN 0.773 nan 8.280 nan 0.000 0.505 154 G N 1.174 110.060 108.800 0.144 0.000 2.873 154 G HA2 0.195 4.156 3.960 0.001 0.000 0.170 154 G HA3 0.195 4.156 3.960 0.001 0.000 0.170 154 G C 0.216 175.131 174.900 0.024 0.000 1.608 154 G CA 0.103 45.242 45.100 0.066 0.000 1.084 154 G HN 0.111 nan 8.290 nan 0.000 0.563 155 V N -0.705 119.192 119.914 -0.028 0.000 2.843 155 V HA 0.457 4.578 4.120 0.001 0.000 0.305 155 V C -0.191 175.803 176.094 -0.166 0.000 1.065 155 V CA -0.350 61.888 62.300 -0.103 0.000 1.116 155 V CB 1.176 32.863 31.823 -0.227 0.000 0.968 155 V HN 0.726 nan 8.190 nan 0.000 0.487 156 N N 3.042 121.633 118.700 -0.183 0.000 2.747 156 N HA 0.472 5.213 4.740 0.001 0.000 0.262 156 N C -1.246 174.258 175.510 -0.010 0.000 1.261 156 N CA -0.575 52.402 53.050 -0.122 0.000 0.809 156 N CB 1.087 39.573 38.487 -0.002 0.000 1.450 156 N HN 1.003 nan 8.380 nan 0.000 0.560 157 Y N -1.008 119.308 120.300 0.026 0.000 2.814 157 Y HA 0.682 5.233 4.550 0.002 0.000 0.348 157 Y C -1.360 174.553 175.900 0.022 0.000 1.245 157 Y CA -1.171 56.941 58.100 0.021 0.000 1.086 157 Y CB 0.247 38.717 38.460 0.017 0.000 1.373 157 Y HN 0.089 nan 8.280 nan 0.000 0.451 158 S N 1.852 117.755 115.700 0.339 0.000 2.503 158 S HA 0.748 5.218 4.470 0.001 0.000 0.301 158 S C -1.012 173.722 174.600 0.224 0.000 1.087 158 S CA -0.742 57.590 58.200 0.220 0.000 1.042 158 S CB 1.111 64.386 63.200 0.125 0.000 1.043 158 S HN 0.499 nan 8.310 nan 0.000 0.489 159 I N 2.208 122.888 120.570 0.183 0.000 2.412 159 I HA 0.479 4.650 4.170 0.001 0.000 0.296 159 I C 0.144 176.326 176.117 0.109 0.000 0.987 159 I CA -0.251 61.132 61.300 0.137 0.000 1.180 159 I CB 1.546 39.640 38.000 0.157 0.000 1.340 159 I HN 0.496 nan 8.210 nan 0.000 0.455 160 S N 3.568 119.318 115.700 0.082 0.000 2.594 160 S HA 0.587 5.058 4.470 0.001 0.000 0.296 160 S C -0.301 174.351 174.600 0.088 0.000 1.124 160 S CA -0.417 57.835 58.200 0.085 0.000 1.011 160 S CB 0.948 64.190 63.200 0.070 0.000 1.016 160 S HN 0.677 nan 8.310 nan 0.000 0.485 161 S N 2.842 118.619 115.700 0.129 0.000 2.612 161 S HA 0.649 5.120 4.470 0.001 0.000 0.203 161 S C 0.595 175.282 174.600 0.145 0.000 0.965 161 S CA -0.083 58.210 58.200 0.155 0.000 1.157 161 S CB 0.047 63.418 63.200 0.285 0.000 1.526 161 S HN 1.740 nan 8.310 nan 0.000 0.423 162 A N 0.560 123.443 122.820 0.105 0.000 5.391 162 A HA -0.325 3.996 4.320 0.001 0.000 0.315 162 A C 1.462 179.065 177.584 0.032 0.000 1.874 162 A CA 1.117 53.195 52.037 0.068 0.000 0.714 162 A CB -1.958 17.085 19.000 0.071 0.000 1.335 162 A HN 1.296 nan 8.150 nan 0.000 0.382 163 C N 0.461 119.757 119.300 -0.007 0.000 2.507 163 C HA 0.512 4.973 4.460 0.001 0.000 0.301 163 C C 2.037 177.040 174.990 0.022 0.000 1.351 163 C CA 0.798 59.831 59.018 0.025 0.000 1.650 163 C CB -1.857 25.935 27.740 0.087 0.000 1.676 163 C HN 1.393 nan 8.230 nan 0.000 0.594 164 A N -0.227 122.600 122.820 0.011 0.000 2.551 164 A HA 0.149 4.470 4.320 0.001 0.000 0.252 164 A C 1.931 179.515 177.584 0.001 0.000 1.199 164 A CA 0.851 52.845 52.037 -0.072 0.000 0.972 164 A CB -0.479 18.466 19.000 -0.093 0.000 1.153 164 A HN 0.494 nan 8.150 nan 0.000 0.559 165 T N 0.073 114.677 114.554 0.084 0.000 2.607 165 T HA -0.255 4.096 4.350 0.001 0.000 0.267 165 T C 2.100 176.843 174.700 0.071 0.000 1.049 165 T CA 2.835 65.007 62.100 0.121 0.000 1.162 165 T CB -0.949 67.974 68.868 0.092 0.000 0.863 165 T HN 0.852 nan 8.240 nan 0.000 0.424 166 S N 1.603 117.309 115.700 0.010 0.000 2.474 166 S HA 0.282 4.753 4.470 0.001 0.000 0.235 166 S C 2.351 176.912 174.600 -0.065 0.000 0.997 166 S CA 0.749 58.935 58.200 -0.023 0.000 0.949 166 S CB -0.737 62.436 63.200 -0.045 0.000 0.766 166 S HN 0.845 nan 8.310 nan 0.000 0.517 167 A N 1.557 124.316 122.820 -0.102 0.000 1.898 167 A HA 0.064 4.385 4.320 0.001 0.000 0.214 167 A C 1.916 179.422 177.584 -0.129 0.000 1.183 167 A CA 1.194 53.136 52.037 -0.158 0.000 0.622 167 A CB -1.007 17.853 19.000 -0.234 0.000 0.824 167 A HN 0.685 nan 8.150 nan 0.000 0.444 168 H N -1.772 117.309 119.070 0.019 0.000 2.457 168 H HA -0.111 4.446 4.556 0.001 0.000 0.294 168 H C 2.123 177.436 175.328 -0.025 0.000 1.064 168 H CA 1.172 57.263 56.048 0.071 0.000 1.330 168 H CB -0.105 29.726 29.762 0.114 0.000 1.395 168 H HN 0.532 nan 8.280 nan 0.000 0.541 169 C N 0.075 119.421 119.300 0.077 0.000 2.446 169 C HA -0.110 4.351 4.460 0.001 0.000 0.277 169 C C 2.655 177.598 174.990 -0.078 0.000 1.275 169 C CA 0.773 59.804 59.018 0.022 0.000 1.727 169 C CB -0.717 27.031 27.740 0.012 0.000 2.010 169 C HN 0.530 nan 8.230 nan 0.000 0.486 170 I N 0.845 121.330 120.570 -0.142 0.000 2.252 170 I HA -0.070 4.101 4.170 0.001 0.000 0.245 170 I C 2.716 178.624 176.117 -0.347 0.000 1.102 170 I CA 1.695 62.872 61.300 -0.205 0.000 1.385 170 I CB -0.889 36.995 38.000 -0.193 0.000 1.064 170 I HN 0.428 nan 8.210 nan 0.000 0.414 171 G N 0.511 108.939 108.800 -0.621 0.000 2.422 171 G HA2 -0.313 3.648 3.960 0.001 0.000 0.218 171 G HA3 -0.313 3.648 3.960 0.001 0.000 0.218 171 G C 1.407 175.878 174.900 -0.714 0.000 1.146 171 G CA 1.156 45.395 45.100 -1.436 0.000 0.769 171 G HN 0.335 nan 8.290 nan 0.000 0.547 172 N N 0.429 118.962 118.700 -0.278 0.000 2.244 172 N HA 0.060 4.801 4.740 0.001 0.000 0.183 172 N C 2.394 177.881 175.510 -0.038 0.000 1.016 172 N CA 1.181 54.222 53.050 -0.014 0.000 0.866 172 N CB -0.174 38.377 38.487 0.107 0.000 0.980 172 N HN 0.268 nan 8.380 nan 0.000 0.430 173 A N -0.219 122.536 122.820 -0.107 0.000 1.898 173 A HA -0.067 4.254 4.320 0.001 0.000 0.216 173 A C 2.290 179.810 177.584 -0.106 0.000 1.181 173 A CA 1.200 53.170 52.037 -0.111 0.000 0.620 173 A CB -0.801 18.114 19.000 -0.141 0.000 0.819 173 A HN 0.147 nan 8.150 nan 0.000 0.442 174 V N 0.333 120.166 119.914 -0.134 0.000 2.332 174 V HA -0.294 3.827 4.120 0.001 0.000 0.248 174 V C 2.380 178.455 176.094 -0.031 0.000 1.055 174 V CA 2.356 64.601 62.300 -0.092 0.000 1.038 174 V CB -0.889 30.868 31.823 -0.109 0.000 0.651 174 V HN 0.652 nan 8.190 nan 0.000 0.450 175 E N -0.643 119.557 120.200 0.000 0.000 2.153 175 E HA -0.242 4.109 4.350 0.001 0.000 0.194 175 E C 2.351 178.968 176.600 0.028 0.000 0.988 175 E CA 0.937 57.368 56.400 0.050 0.000 0.811 175 E CB -0.131 29.630 29.700 0.103 0.000 0.746 175 E HN 0.532 nan 8.360 nan 0.000 0.466 176 Q N 0.189 119.993 119.800 0.007 0.000 2.119 176 Q HA -0.116 4.225 4.340 0.001 0.000 0.201 176 Q C 2.206 178.193 176.000 -0.020 0.000 0.972 176 Q CA 0.955 56.757 55.803 -0.001 0.000 0.847 176 Q CB -0.110 28.614 28.738 -0.024 0.000 0.903 176 Q HN 0.296 nan 8.270 nan 0.000 0.433 177 I N 0.893 121.440 120.570 -0.038 0.000 2.252 177 I HA -0.253 3.918 4.170 0.001 0.000 0.245 177 I C 2.349 178.454 176.117 -0.020 0.000 1.102 177 I CA 1.202 62.475 61.300 -0.045 0.000 1.385 177 I CB -0.239 37.724 38.000 -0.062 0.000 1.064 177 I HN 0.193 nan 8.210 nan 0.000 0.414 178 Q N -0.180 119.617 119.800 -0.004 0.000 2.124 178 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 178 Q C 2.063 178.071 176.000 0.013 0.000 0.977 178 Q CA 1.232 57.041 55.803 0.011 0.000 0.850 178 Q CB -0.216 28.539 28.738 0.028 0.000 0.901 178 Q HN 0.468 nan 8.270 nan 0.000 0.429 179 L N -0.279 120.954 121.223 0.015 0.000 2.610 179 L HA 0.071 4.412 4.340 0.001 0.000 0.232 179 L C 1.093 177.969 176.870 0.009 0.000 1.149 179 L CA 0.319 55.170 54.840 0.017 0.000 0.872 179 L CB -0.338 41.736 42.059 0.024 0.000 0.992 179 L HN 0.416 nan 8.230 nan 0.000 0.447 180 G N 0.354 109.155 108.800 0.001 0.000 2.203 180 G HA2 -0.354 3.607 3.960 0.001 0.000 0.263 180 G HA3 -0.354 3.607 3.960 0.001 0.000 0.263 180 G C 1.018 175.914 174.900 -0.006 0.000 1.012 180 G CA 0.810 45.908 45.100 -0.004 0.000 0.749 180 G HN 0.407 nan 8.290 nan 0.000 0.512 181 K N -1.013 119.383 120.400 -0.006 0.000 2.186 181 K HA 0.104 4.425 4.320 0.001 0.000 0.202 181 K C 1.118 177.706 176.600 -0.019 0.000 1.052 181 K CA 0.867 57.152 56.287 -0.003 0.000 0.965 181 K CB 0.056 32.563 32.500 0.011 0.000 0.746 181 K HN 0.438 nan 8.250 nan 0.000 0.457 182 Q N -0.298 119.477 119.800 -0.042 0.000 2.423 182 Q HA 0.144 4.485 4.340 0.001 0.000 0.278 182 Q C -0.530 175.396 176.000 -0.124 0.000 1.097 182 Q CA -0.362 55.395 55.803 -0.077 0.000 0.809 182 Q CB 1.995 30.682 28.738 -0.085 0.000 1.391 182 Q HN -0.038 nan 8.270 nan 0.000 0.428 183 D N 0.278 120.561 120.400 -0.195 0.000 2.323 183 D HA 0.264 4.904 4.640 0.001 0.000 0.218 183 D C 0.282 176.347 176.300 -0.393 0.000 0.973 183 D CA 0.873 54.665 54.000 -0.346 0.000 0.890 183 D CB 1.173 41.613 40.800 -0.600 0.000 1.011 183 D HN 0.374 nan 8.370 nan 0.000 0.499 184 I N 0.625 120.994 120.570 -0.335 0.000 2.619 184 I HA 0.278 4.449 4.170 0.001 0.000 0.292 184 I C -1.207 174.711 176.117 -0.333 0.000 1.100 184 I CA -0.794 60.288 61.300 -0.363 0.000 1.043 184 I CB 3.321 41.072 38.000 -0.415 0.000 1.239 184 I HN -0.412 nan 8.210 nan 0.000 0.420 185 V N 5.557 125.237 119.914 -0.389 0.000 2.612 185 V HA 0.372 4.492 4.120 0.001 0.000 0.301 185 V C -0.804 175.066 176.094 -0.373 0.000 1.059 185 V CA -0.584 61.539 62.300 -0.295 0.000 0.886 185 V CB 1.793 33.503 31.823 -0.187 0.000 1.007 185 V HN 0.389 nan 8.190 nan 0.000 0.426 186 F N 3.504 123.347 119.950 -0.178 0.000 2.445 186 F HA 0.689 5.217 4.527 0.001 0.000 0.359 186 F C 0.773 176.463 175.800 -0.183 0.000 1.101 186 F CA 0.048 57.923 58.000 -0.208 0.000 1.177 186 F CB 1.105 39.934 39.000 -0.285 0.000 1.110 186 F HN 0.590 nan 8.300 nan 0.000 0.522 187 A N 2.515 125.313 122.820 -0.036 0.000 2.374 187 A HA 0.967 5.288 4.320 0.001 0.000 0.317 187 A C 0.086 177.632 177.584 -0.064 0.000 1.094 187 A CA 0.059 52.057 52.037 -0.064 0.000 0.765 187 A CB 1.504 20.442 19.000 -0.104 0.000 1.268 187 A HN 1.055 nan 8.150 nan 0.000 0.438 188 G N -0.688 108.078 108.800 -0.056 0.000 2.491 188 G HA2 0.673 4.634 3.960 0.001 0.000 0.183 188 G HA3 0.673 4.634 3.960 0.001 0.000 0.183 188 G C -0.084 174.798 174.900 -0.029 0.000 1.221 188 G CA 0.451 45.516 45.100 -0.057 0.000 0.996 188 G HN 2.450 nan 8.290 nan 0.000 0.474 189 G N -2.109 106.679 108.800 -0.020 0.000 2.321 189 G HA2 0.820 4.781 3.960 0.001 0.000 0.296 189 G HA3 0.820 4.781 3.960 0.001 0.000 0.296 189 G C -0.441 174.478 174.900 0.032 0.000 1.287 189 G CA 0.822 45.928 45.100 0.010 0.000 0.846 189 G HN 2.203 nan 8.290 nan 0.000 0.508 190 G N -1.322 107.512 108.800 0.058 0.000 2.660 190 G HA2 0.686 4.647 3.960 0.001 0.000 0.290 190 G HA3 0.686 4.647 3.960 0.001 0.000 0.290 190 G C -1.968 172.994 174.900 0.103 0.000 1.432 190 G CA -0.237 44.926 45.100 0.106 0.000 0.807 190 G HN 0.722 nan 8.290 nan 0.000 0.485 191 E N -0.437 119.857 120.200 0.157 0.000 2.335 191 E HA 0.371 4.721 4.350 0.001 0.000 0.280 191 E C -0.312 176.398 176.600 0.184 0.000 0.918 191 E CA -0.687 55.785 56.400 0.119 0.000 0.765 191 E CB 1.672 31.409 29.700 0.062 0.000 1.218 191 E HN 0.712 nan 8.360 nan 0.000 0.425 192 E N 3.090 123.353 120.200 0.104 0.000 2.345 192 E HA 0.432 4.783 4.350 0.001 0.000 0.259 192 E C -0.843 175.796 176.600 0.065 0.000 1.117 192 E CA -0.836 55.614 56.400 0.082 0.000 0.913 192 E CB 1.163 30.869 29.700 0.009 0.000 1.057 192 E HN 0.256 nan 8.360 nan 0.000 0.432 193 L N 2.277 123.511 121.223 0.018 0.000 2.343 193 L HA 0.453 4.794 4.340 0.001 0.000 0.278 193 L C -1.347 175.532 176.870 0.014 0.000 0.996 193 L CA -0.372 54.426 54.840 -0.071 0.000 0.831 193 L CB 0.825 42.667 42.059 -0.362 0.000 1.232 193 L HN 0.915 nan 8.230 nan 0.000 0.413 194 C N 2.162 121.536 119.300 0.123 0.000 3.241 194 C HA 0.413 4.874 4.460 0.001 0.000 0.348 194 C C 1.058 176.136 174.990 0.147 0.000 1.180 194 C CA -1.058 58.038 59.018 0.130 0.000 1.273 194 C CB 0.600 28.286 27.740 -0.089 0.000 1.620 194 C HN 1.052 nan 8.230 nan 0.000 0.510 195 W N 1.032 122.465 121.300 0.222 0.000 2.374 195 W HA -0.007 4.653 4.660 0.001 0.000 0.288 195 W C 1.034 177.632 176.519 0.131 0.000 1.218 195 W CA 1.813 59.252 57.345 0.156 0.000 1.245 195 W CB -0.986 28.525 29.460 0.084 0.000 1.126 195 W HN 0.890 nan 8.180 nan 0.000 0.545 196 E N 0.928 120.489 120.200 -1.066 0.000 2.070 196 E HA -0.282 4.069 4.350 0.001 0.000 0.197 196 E C 2.361 178.800 176.600 -0.268 0.000 1.004 196 E CA 2.968 58.763 56.400 -1.009 0.000 0.805 196 E CB -0.663 28.489 29.700 -0.914 0.000 0.744 196 E HN 0.413 nan 8.360 nan 0.000 0.451 197 M N -0.665 118.874 119.600 -0.102 0.000 2.447 197 M HA 0.147 4.628 4.480 0.001 0.000 0.266 197 M C 2.086 178.539 176.300 0.255 0.000 1.120 197 M CA 1.171 56.520 55.300 0.082 0.000 1.166 197 M CB 0.170 32.848 32.600 0.130 0.000 1.349 197 M HN 0.121 nan 8.290 nan 0.000 0.463 198 A N 0.695 123.674 122.820 0.266 0.000 1.908 198 A HA -0.239 4.082 4.320 0.001 0.000 0.218 198 A C 2.349 180.129 177.584 0.327 0.000 1.181 198 A CA 1.906 54.151 52.037 0.346 0.000 0.627 198 A CB -1.796 17.400 19.000 0.325 0.000 0.818 198 A HN 0.891 nan 8.150 nan 0.000 0.445 199 C N -0.920 118.556 119.300 0.292 0.000 2.432 199 C HA 0.040 4.501 4.460 0.001 0.000 0.282 199 C C 2.073 177.170 174.990 0.179 0.000 1.388 199 C CA 0.968 60.139 59.018 0.256 0.000 1.777 199 C CB -1.475 26.474 27.740 0.348 0.000 1.882 199 C HN 0.639 nan 8.230 nan 0.000 0.520 200 E N -0.053 120.230 120.200 0.139 0.000 2.285 200 E HA 0.032 4.382 4.350 0.001 0.000 0.194 200 E C 1.583 178.151 176.600 -0.052 0.000 0.997 200 E CA 1.059 57.465 56.400 0.010 0.000 0.845 200 E CB -0.166 29.487 29.700 -0.079 0.000 0.782 200 E HN 0.797 nan 8.360 nan 0.000 0.491 201 F N 0.560 120.573 119.950 0.105 0.000 2.270 201 F HA -0.061 4.467 4.527 0.002 0.000 0.295 201 F C 2.136 177.953 175.800 0.029 0.000 1.087 201 F CA 0.696 58.753 58.000 0.095 0.000 1.365 201 F CB 0.168 39.200 39.000 0.053 0.000 1.056 201 F HN -0.040 nan 8.300 nan 0.000 0.506 202 D N 0.401 120.922 120.400 0.200 0.000 2.144 202 D HA -0.139 4.502 4.640 0.001 0.000 0.200 202 D C 2.245 178.594 176.300 0.083 0.000 0.978 202 D CA 1.233 55.295 54.000 0.103 0.000 0.833 202 D CB -0.189 40.671 40.800 0.100 0.000 0.961 202 D HN 0.158 nan 8.370 nan 0.000 0.470 203 A N 0.669 123.539 122.820 0.085 0.000 2.070 203 A HA -0.121 4.200 4.320 0.001 0.000 0.220 203 A C 2.170 179.781 177.584 0.044 0.000 1.159 203 A CA 1.725 53.796 52.037 0.057 0.000 0.656 203 A CB -0.744 18.286 19.000 0.049 0.000 0.800 203 A HN 0.522 nan 8.150 nan 0.000 0.453 204 M N -3.198 116.437 119.600 0.059 0.000 2.419 204 M HA 0.471 4.952 4.480 0.001 0.000 0.252 204 M C 0.969 177.317 176.300 0.079 0.000 1.143 204 M CA 0.621 55.954 55.300 0.055 0.000 0.985 204 M CB 0.118 32.747 32.600 0.048 0.000 1.489 204 M HN 0.569 nan 8.290 nan 0.000 0.484 205 G N 0.957 109.802 108.800 0.074 0.000 2.179 205 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 205 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 205 G C 0.803 175.749 174.900 0.077 0.000 1.010 205 G CA 0.483 45.620 45.100 0.063 0.000 0.736 205 G HN 0.795 nan 8.290 nan 0.000 0.513 206 A N -0.999 121.887 122.820 0.109 0.000 2.072 206 A HA 0.605 4.926 4.320 0.001 0.000 0.216 206 A C 1.325 178.772 177.584 -0.228 0.000 1.156 206 A CA 0.839 52.937 52.037 0.101 0.000 0.701 206 A CB 0.099 19.327 19.000 0.380 0.000 0.816 206 A HN 0.662 nan 8.150 nan 0.000 0.458 207 L N -0.228 120.844 121.223 -0.252 0.000 2.360 207 L HA 0.358 4.699 4.340 0.001 0.000 0.271 207 L C 0.708 177.499 176.870 -0.132 0.000 1.057 207 L CA -0.588 54.039 54.840 -0.354 0.000 0.803 207 L CB 1.519 43.417 42.059 -0.268 0.000 1.207 207 L HN 0.147 nan 8.230 nan 0.000 0.445 208 S N -0.021 115.628 115.700 -0.084 0.000 2.549 208 S HA 0.170 4.641 4.470 0.001 0.000 0.279 208 S C 0.726 175.329 174.600 0.005 0.000 1.321 208 S CA 0.126 58.344 58.200 0.031 0.000 1.054 208 S CB 0.494 63.756 63.200 0.104 0.000 0.899 208 S HN 0.822 nan 8.310 nan 0.000 0.497 209 T N 1.424 115.977 114.554 -0.000 0.000 3.041 209 T HA 0.316 4.667 4.350 0.001 0.000 0.276 209 T C 0.748 175.373 174.700 -0.125 0.000 0.948 209 T CA -0.510 61.539 62.100 -0.085 0.000 0.885 209 T CB 0.050 68.863 68.868 -0.092 0.000 1.175 209 T HN 0.572 nan 8.240 nan 0.000 0.529 210 K N 0.732 121.041 120.400 -0.151 0.000 2.404 210 K HA 0.215 4.536 4.320 0.001 0.000 0.194 210 K C -0.383 175.832 176.600 -0.642 0.000 1.023 210 K CA 0.198 56.242 56.287 -0.406 0.000 1.094 210 K CB 0.124 32.298 32.500 -0.544 0.000 0.841 210 K HN 0.538 nan 8.250 nan 0.000 0.523 211 Y N 0.209 120.503 120.300 -0.010 0.000 2.715 211 Y HA 0.233 4.784 4.550 0.001 0.000 0.255 211 Y C 1.053 176.971 175.900 0.030 0.000 1.139 211 Y CA -0.634 57.473 58.100 0.012 0.000 1.151 211 Y CB 0.112 38.586 38.460 0.023 0.000 1.201 211 Y HN -0.038 nan 8.280 nan 0.000 0.556 212 N N 0.698 119.453 118.700 0.091 0.000 2.272 212 N HA -0.160 4.581 4.740 0.001 0.000 0.185 212 N C 0.867 176.495 175.510 0.197 0.000 1.014 212 N CA 1.436 54.575 53.050 0.149 0.000 0.870 212 N CB 0.067 38.604 38.487 0.082 0.000 0.975 212 N HN 0.455 nan 8.380 nan 0.000 0.433 213 D N -0.252 120.217 120.400 0.115 0.000 2.277 213 D HA -0.027 4.614 4.640 0.001 0.000 0.208 213 D C 0.480 176.832 176.300 0.087 0.000 0.962 213 D CA 0.888 54.932 54.000 0.073 0.000 0.865 213 D CB 0.066 40.885 40.800 0.032 0.000 0.939 213 D HN 0.318 nan 8.370 nan 0.000 0.510 214 T N -2.111 112.523 114.554 0.133 0.000 3.317 214 T HA 0.339 4.690 4.350 0.001 0.000 0.361 214 T C -2.340 172.450 174.700 0.149 0.000 1.499 214 T CA -1.716 60.462 62.100 0.129 0.000 1.529 214 T CB 1.925 70.874 68.868 0.135 0.000 0.997 214 T HN -0.275 nan 8.240 nan 0.000 0.624 215 P HA -0.155 nan 4.420 nan 0.000 0.216 215 P C 1.366 178.725 177.300 0.098 0.000 1.154 215 P CA 1.285 64.475 63.100 0.150 0.000 0.865 215 P CB 0.147 31.955 31.700 0.181 0.000 0.789 216 E N -0.727 119.518 120.200 0.074 0.000 2.409 216 E HA -0.126 4.225 4.350 0.001 0.000 0.198 216 E C 1.203 177.802 176.600 -0.002 0.000 1.024 216 E CA 0.658 57.080 56.400 0.037 0.000 0.861 216 E CB -0.158 29.561 29.700 0.033 0.000 0.788 216 E HN 0.305 nan 8.360 nan 0.000 0.521 217 K N -0.515 119.877 120.400 -0.012 0.000 2.358 217 K HA 0.224 4.545 4.320 0.001 0.000 0.200 217 K C 1.559 177.980 176.600 -0.298 0.000 1.030 217 K CA 0.267 56.488 56.287 -0.111 0.000 1.097 217 K CB 0.826 33.287 32.500 -0.066 0.000 0.862 217 K HN -0.004 nan 8.250 nan 0.000 0.534 218 A N 1.348 124.081 122.820 -0.145 0.000 1.877 218 A HA -0.066 4.255 4.320 0.001 0.000 0.216 218 A C 1.491 178.973 177.584 -0.171 0.000 1.186 218 A CA 1.198 53.151 52.037 -0.140 0.000 0.620 218 A CB -0.232 18.824 19.000 0.094 0.000 0.822 218 A HN 0.159 nan 8.150 nan 0.000 0.443 219 S N 0.562 116.210 115.700 -0.088 0.000 2.405 219 S HA 0.386 4.857 4.470 0.001 0.000 0.291 219 S C 0.269 174.798 174.600 -0.117 0.000 1.137 219 S CA -0.549 57.612 58.200 -0.065 0.000 1.061 219 S CB -0.269 62.918 63.200 -0.022 0.000 1.001 219 S HN 0.486 nan 8.310 nan 0.000 0.507 220 R N 2.544 122.963 120.500 -0.135 0.000 2.674 220 R HA 0.240 4.581 4.340 0.001 0.000 0.270 220 R C -0.614 175.610 176.300 -0.126 0.000 1.492 220 R CA -0.669 55.351 56.100 -0.132 0.000 1.624 220 R CB -0.594 29.603 30.300 -0.172 0.000 1.307 220 R HN 0.333 nan 8.270 nan 0.000 0.683 221 T N 1.705 116.136 114.554 -0.205 0.000 2.891 221 T HA -0.085 4.265 4.350 0.001 0.000 0.296 221 T C 0.226 174.702 174.700 -0.372 0.000 1.025 221 T CA 0.918 62.764 62.100 -0.424 0.000 1.149 221 T CB -0.176 68.279 68.868 -0.688 0.000 1.007 221 T HN 0.672 nan 8.240 nan 0.000 0.528 222 Y N -1.531 118.774 120.300 0.007 0.000 4.894 222 Y HA -0.266 4.285 4.550 0.001 0.000 0.270 222 Y C 0.828 176.727 175.900 -0.001 0.000 0.930 222 Y CA 0.494 58.597 58.100 0.006 0.000 1.814 222 Y CB -1.525 36.938 38.460 0.005 0.000 1.235 222 Y HN 0.697 nan 8.280 nan 0.000 0.480 223 D N 1.090 121.544 120.400 0.090 0.000 2.389 223 D HA 0.482 5.122 4.640 0.001 0.000 0.247 223 D C 1.168 177.479 176.300 0.018 0.000 1.128 223 D CA 0.782 54.818 54.000 0.060 0.000 0.884 223 D CB 1.395 42.218 40.800 0.039 0.000 1.194 223 D HN 0.253 nan 8.370 nan 0.000 0.441 224 A N 3.232 126.022 122.820 -0.050 0.000 2.076 224 A HA -0.193 4.127 4.320 0.001 0.000 0.220 224 A C 1.086 178.424 177.584 -0.411 0.000 1.160 224 A CA 1.448 53.339 52.037 -0.243 0.000 0.653 224 A CB -0.591 18.189 19.000 -0.367 0.000 0.801 224 A HN 0.797 nan 8.150 nan 0.000 0.455 225 H N -0.825 118.301 119.070 0.092 0.000 2.469 225 H HA 0.193 4.750 4.556 0.001 0.000 0.286 225 H C 0.542 175.974 175.328 0.174 0.000 1.106 225 H CA -0.348 55.783 56.048 0.139 0.000 1.055 225 H CB 0.097 29.968 29.762 0.181 0.000 1.618 225 H HN 0.596 nan 8.280 nan 0.000 0.559 226 R N 1.505 122.091 120.500 0.142 0.000 2.694 226 R HA 0.033 4.374 4.340 0.001 0.000 0.268 226 R C -0.535 175.866 176.300 0.169 0.000 1.061 226 R CA 0.303 56.470 56.100 0.112 0.000 1.133 226 R CB 0.511 30.835 30.300 0.041 0.000 1.020 226 R HN 0.245 nan 8.270 nan 0.000 0.475 227 D N 0.362 120.874 120.400 0.187 0.000 3.007 227 D HA 0.229 4.870 4.640 0.001 0.000 0.363 227 D C -0.096 176.274 176.300 0.117 0.000 1.474 227 D CA 0.063 54.160 54.000 0.162 0.000 0.767 227 D CB 0.291 41.206 40.800 0.191 0.000 1.227 227 D HN 0.949 nan 8.370 nan 0.000 0.471 228 G N 0.462 109.328 108.800 0.110 0.000 2.484 228 G HA2 0.221 4.182 3.960 0.001 0.000 0.685 228 G HA3 0.221 4.182 3.960 0.001 0.000 0.685 228 G C -0.533 174.428 174.900 0.102 0.000 1.294 228 G CA -0.704 44.447 45.100 0.085 0.000 0.879 228 G HN 0.371 nan 8.290 nan 0.000 0.646 229 F N -0.280 119.708 119.950 0.064 0.000 2.378 229 F HA 0.784 5.312 4.527 0.001 0.000 0.319 229 F C 0.298 176.119 175.800 0.035 0.000 1.155 229 F CA -1.433 56.588 58.000 0.035 0.000 1.157 229 F CB 1.221 40.255 39.000 0.056 0.000 1.252 229 F HN 0.400 nan 8.300 nan 0.000 0.550 230 V N 4.696 124.811 119.914 0.335 0.000 2.328 230 V HA 0.231 4.352 4.120 0.001 0.000 0.278 230 V C 0.329 176.630 176.094 0.345 0.000 1.021 230 V CA -0.815 61.613 62.300 0.213 0.000 0.838 230 V CB 0.824 32.738 31.823 0.152 0.000 0.999 230 V HN 0.846 nan 8.190 nan 0.000 0.447 231 I N 4.772 125.501 120.570 0.266 0.000 2.872 231 I HA 0.408 4.579 4.170 0.001 0.000 0.291 231 I C 0.569 176.786 176.117 0.167 0.000 1.216 231 I CA 0.753 62.207 61.300 0.258 0.000 1.424 231 I CB 0.725 38.813 38.000 0.147 0.000 1.351 231 I HN 0.795 nan 8.210 nan 0.000 0.592 232 A N 4.708 127.568 122.820 0.066 0.000 2.583 232 A HA 0.889 5.210 4.320 0.001 0.000 0.289 232 A C -0.659 176.881 177.584 -0.073 0.000 1.151 232 A CA -0.061 51.961 52.037 -0.024 0.000 0.695 232 A CB 1.294 20.298 19.000 0.006 0.000 1.290 232 A HN 0.851 nan 8.150 nan 0.000 0.419 233 G N -1.822 106.898 108.800 -0.134 0.000 2.680 233 G HA2 0.934 4.895 3.960 0.001 0.000 0.290 233 G HA3 0.934 4.895 3.960 0.001 0.000 0.290 233 G C -0.120 174.647 174.900 -0.222 0.000 1.355 233 G CA -0.176 44.867 45.100 -0.095 0.000 0.903 233 G HN 2.304 nan 8.290 nan 0.000 0.474 234 G N -1.936 106.720 108.800 -0.240 0.000 2.350 234 G HA2 0.624 4.585 3.960 0.001 0.000 0.282 234 G HA3 0.624 4.585 3.960 0.001 0.000 0.282 234 G C -0.377 174.449 174.900 -0.124 0.000 1.314 234 G CA 0.217 44.998 45.100 -0.531 0.000 0.915 234 G HN 1.918 nan 8.290 nan 0.000 0.499 235 G N -1.805 106.928 108.800 -0.112 0.000 2.695 235 G HA2 1.005 4.966 3.960 0.001 0.000 0.290 235 G HA3 1.005 4.966 3.960 0.001 0.000 0.290 235 G C -0.385 174.490 174.900 -0.042 0.000 1.410 235 G CA 0.238 45.345 45.100 0.012 0.000 0.844 235 G HN 1.989 nan 8.290 nan 0.000 0.478 236 G N -1.187 107.587 108.800 -0.042 0.000 2.742 236 G HA2 0.672 4.633 3.960 0.001 0.000 0.296 236 G HA3 0.672 4.633 3.960 0.001 0.000 0.296 236 G C -1.677 173.177 174.900 -0.076 0.000 1.436 236 G CA -0.636 44.414 45.100 -0.083 0.000 0.928 236 G HN 0.785 nan 8.290 nan 0.000 0.520 237 M N 0.998 120.545 119.600 -0.088 0.000 2.365 237 M HA 0.613 5.093 4.480 0.001 0.000 0.288 237 M C -0.898 175.351 176.300 -0.085 0.000 1.152 237 M CA -0.647 54.605 55.300 -0.081 0.000 0.948 237 M CB 2.342 34.889 32.600 -0.089 0.000 1.729 237 M HN 1.102 nan 8.290 nan 0.000 0.487 238 V N 1.474 121.339 119.914 -0.082 0.000 2.962 238 V HA 0.909 5.029 4.120 0.001 0.000 0.313 238 V C -1.195 174.840 176.094 -0.099 0.000 1.099 238 V CA -0.938 61.303 62.300 -0.099 0.000 0.971 238 V CB 1.957 33.698 31.823 -0.137 0.000 1.028 238 V HN 0.574 nan 8.190 nan 0.000 0.430 239 V N 3.350 123.191 119.914 -0.122 0.000 2.334 239 V HA 0.359 4.480 4.120 0.001 0.000 0.267 239 V C 0.155 176.116 176.094 -0.221 0.000 1.040 239 V CA -0.363 61.784 62.300 -0.255 0.000 0.866 239 V CB 1.024 32.709 31.823 -0.231 0.000 1.019 239 V HN 0.722 nan 8.190 nan 0.000 0.468 240 V N 5.162 124.919 119.914 -0.262 0.000 2.406 240 V HA 0.428 4.549 4.120 0.001 0.000 0.272 240 V C 0.133 176.097 176.094 -0.218 0.000 1.043 240 V CA -0.228 61.955 62.300 -0.195 0.000 0.915 240 V CB 1.216 32.933 31.823 -0.178 0.000 0.988 240 V HN 0.949 nan 8.190 nan 0.000 0.466 241 E N 2.623 122.730 120.200 -0.154 0.000 2.317 241 E HA 0.348 4.698 4.350 0.001 0.000 0.270 241 E C -0.779 175.769 176.600 -0.086 0.000 0.885 241 E CA -0.754 55.561 56.400 -0.142 0.000 0.760 241 E CB 1.871 31.515 29.700 -0.094 0.000 1.227 241 E HN 0.703 nan 8.360 nan 0.000 0.434 242 E N 3.265 123.414 120.200 -0.085 0.000 2.373 242 E HA -0.023 4.328 4.350 0.001 0.000 0.267 242 E C 0.829 177.437 176.600 0.013 0.000 1.032 242 E CA -0.119 56.261 56.400 -0.034 0.000 0.889 242 E CB 1.167 30.848 29.700 -0.032 0.000 0.984 242 E HN 0.570 nan 8.360 nan 0.000 0.425 243 L N 5.186 126.411 121.223 0.004 0.000 1.990 243 L HA -0.245 4.096 4.340 0.001 0.000 0.213 243 L C 1.979 178.860 176.870 0.018 0.000 1.072 243 L CA 2.179 57.022 54.840 0.004 0.000 0.755 243 L CB -0.573 41.482 42.059 -0.006 0.000 0.889 243 L HN 0.623 nan 8.230 nan 0.000 0.432 244 E N -1.138 119.079 120.200 0.028 0.000 2.038 244 E HA -0.267 4.084 4.350 0.001 0.000 0.195 244 E C 2.338 178.960 176.600 0.037 0.000 1.000 244 E CA 1.596 58.012 56.400 0.026 0.000 0.803 244 E CB -0.415 29.303 29.700 0.030 0.000 0.750 244 E HN 0.618 nan 8.360 nan 0.000 0.448 245 H N -0.355 118.700 119.070 -0.026 0.000 2.319 245 H HA -0.116 4.441 4.556 0.001 0.000 0.299 245 H C 1.813 177.124 175.328 -0.028 0.000 1.092 245 H CA 1.875 57.908 56.048 -0.025 0.000 1.302 245 H CB -0.127 29.616 29.762 -0.031 0.000 1.373 245 H HN 0.214 nan 8.280 nan 0.000 0.497 246 A N 1.213 124.105 122.820 0.120 0.000 1.883 246 A HA -0.133 4.188 4.320 0.001 0.000 0.217 246 A C 2.936 180.510 177.584 -0.016 0.000 1.186 246 A CA 1.544 53.613 52.037 0.052 0.000 0.624 246 A CB -0.948 18.068 19.000 0.027 0.000 0.822 246 A HN 0.419 nan 8.150 nan 0.000 0.444 247 L N -0.840 120.369 121.223 -0.023 0.000 2.027 247 L HA -0.174 4.167 4.340 0.001 0.000 0.206 247 L C 3.107 179.946 176.870 -0.051 0.000 1.074 247 L CA 1.021 55.839 54.840 -0.036 0.000 0.745 247 L CB -0.652 41.390 42.059 -0.030 0.000 0.898 247 L HN 0.431 nan 8.230 nan 0.000 0.433 248 A N 1.012 123.791 122.820 -0.069 0.000 1.986 248 A HA -0.233 4.087 4.320 0.001 0.000 0.220 248 A C 2.162 179.682 177.584 -0.107 0.000 1.171 248 A CA 2.027 54.008 52.037 -0.092 0.000 0.640 248 A CB -0.637 18.288 19.000 -0.125 0.000 0.811 248 A HN 0.600 nan 8.150 nan 0.000 0.451 249 R N -0.958 119.466 120.500 -0.126 0.000 2.515 249 R HA 0.372 4.712 4.340 0.001 0.000 0.294 249 R C 0.886 177.156 176.300 -0.049 0.000 1.021 249 R CA 0.526 56.565 56.100 -0.102 0.000 1.081 249 R CB -0.913 29.304 30.300 -0.139 0.000 1.263 249 R HN 0.623 nan 8.270 nan 0.000 0.557 250 G N 0.678 109.453 108.800 -0.041 0.000 2.361 250 G HA2 -0.376 3.585 3.960 0.001 0.000 0.294 250 G HA3 -0.376 3.585 3.960 0.001 0.000 0.294 250 G C 0.362 175.257 174.900 -0.008 0.000 1.004 250 G CA 0.431 45.517 45.100 -0.023 0.000 0.870 250 G HN 0.745 nan 8.290 nan 0.000 0.510 251 A N -0.215 122.600 122.820 -0.008 0.000 2.366 251 A HA 0.559 4.880 4.320 0.001 0.000 0.249 251 A C 0.620 178.211 177.584 0.010 0.000 1.084 251 A CA -0.088 51.958 52.037 0.015 0.000 0.794 251 A CB 0.297 19.307 19.000 0.017 0.000 1.034 251 A HN 0.828 nan 8.150 nan 0.000 0.491 252 H N 1.683 120.713 119.070 -0.067 0.000 2.668 252 H HA 0.416 4.973 4.556 0.002 0.000 0.303 252 H C -1.046 174.195 175.328 -0.145 0.000 1.074 252 H CA -0.100 55.869 56.048 -0.132 0.000 1.406 252 H CB 0.378 30.025 29.762 -0.191 0.000 1.442 252 H HN 0.470 nan 8.280 nan 0.000 0.482 253 I N 6.763 126.936 120.570 -0.662 0.000 2.330 253 I HA -0.015 4.156 4.170 0.001 0.000 0.289 253 I C 0.195 175.949 176.117 -0.606 0.000 1.001 253 I CA -0.565 60.468 61.300 -0.446 0.000 1.193 253 I CB 1.049 38.917 38.000 -0.220 0.000 1.345 253 I HN 0.665 nan 8.210 nan 0.000 0.461 254 Y N 5.188 125.298 120.300 -0.316 0.000 2.114 254 Y HA 0.175 4.726 4.550 0.001 0.000 0.284 254 Y C 1.279 177.105 175.900 -0.123 0.000 1.119 254 Y CA 1.217 59.217 58.100 -0.167 0.000 1.108 254 Y CB 0.120 38.562 38.460 -0.030 0.000 0.995 254 Y HN 0.652 nan 8.280 nan 0.000 0.491 255 A N -0.864 122.009 122.820 0.087 0.000 2.586 255 A HA 0.419 4.740 4.320 0.001 0.000 0.290 255 A C -1.428 176.160 177.584 0.007 0.000 1.086 255 A CA -0.798 51.255 52.037 0.027 0.000 0.665 255 A CB 0.899 19.924 19.000 0.041 0.000 1.279 255 A HN 0.123 nan 8.150 nan 0.000 0.423 256 E N 0.299 120.496 120.200 -0.005 0.000 2.242 256 E HA 0.589 4.940 4.350 0.001 0.000 0.275 256 E C -1.296 175.300 176.600 -0.005 0.000 1.002 256 E CA -0.600 55.794 56.400 -0.010 0.000 0.841 256 E CB 0.892 30.585 29.700 -0.011 0.000 1.109 256 E HN 0.442 nan 8.360 nan 0.000 0.394 257 I N 5.035 125.599 120.570 -0.011 0.000 2.291 257 I HA 0.019 4.190 4.170 0.001 0.000 0.292 257 I C 0.991 177.118 176.117 0.016 0.000 1.064 257 I CA -0.183 61.115 61.300 -0.004 0.000 1.269 257 I CB 1.188 39.172 38.000 -0.026 0.000 1.418 257 I HN 0.485 nan 8.210 nan 0.000 0.485 258 V N 2.688 122.617 119.914 0.026 0.000 3.608 258 V HA 0.521 4.641 4.120 0.001 0.000 0.269 258 V C 0.766 176.893 176.094 0.055 0.000 1.245 258 V CA 0.284 62.603 62.300 0.032 0.000 1.138 258 V CB -0.486 31.351 31.823 0.022 0.000 0.841 258 V HN 0.699 nan 8.190 nan 0.000 0.451 259 G N -0.504 108.342 108.800 0.077 0.000 2.759 259 G HA2 0.536 4.497 3.960 0.001 0.000 0.297 259 G HA3 0.536 4.497 3.960 0.001 0.000 0.297 259 G C -2.286 172.722 174.900 0.180 0.000 1.434 259 G CA -0.559 44.607 45.100 0.109 0.000 0.980 259 G HN 0.328 nan 8.290 nan 0.000 0.531 260 Y N 1.385 121.701 120.300 0.028 0.000 2.307 260 Y HA 0.667 5.218 4.550 0.002 0.000 0.323 260 Y C -0.129 175.793 175.900 0.037 0.000 1.100 260 Y CA -1.208 56.905 58.100 0.023 0.000 1.140 260 Y CB 1.604 40.078 38.460 0.023 0.000 1.159 260 Y HN 0.838 nan 8.280 nan 0.000 0.436 261 G N 3.034 111.742 108.800 -0.153 0.000 2.388 261 G HA2 0.735 4.696 3.960 0.001 0.000 0.330 261 G HA3 0.735 4.696 3.960 0.001 0.000 0.330 261 G C -1.557 173.138 174.900 -0.342 0.000 1.142 261 G CA -0.598 44.342 45.100 -0.266 0.000 0.908 261 G HN 1.189 nan 8.290 nan 0.000 0.473 262 A N 1.493 124.131 122.820 -0.303 0.000 2.530 262 A HA 0.778 5.099 4.320 0.001 0.000 0.279 262 A C 0.022 177.593 177.584 -0.020 0.000 1.109 262 A CA -0.056 51.944 52.037 -0.062 0.000 0.763 262 A CB 0.975 19.918 19.000 -0.095 0.000 1.257 262 A HN 1.459 nan 8.150 nan 0.000 0.424 263 T N -1.437 113.149 114.554 0.054 0.000 2.773 263 T HA 0.868 5.218 4.350 0.001 0.000 0.278 263 T C -0.162 174.567 174.700 0.047 0.000 1.011 263 T CA -0.537 61.575 62.100 0.021 0.000 1.014 263 T CB 1.835 70.704 68.868 0.001 0.000 1.293 263 T HN 1.222 nan 8.240 nan 0.000 0.554 264 S N -0.958 114.752 115.700 0.017 0.000 2.547 264 S HA 0.447 4.918 4.470 0.001 0.000 0.281 264 S C -0.174 174.428 174.600 0.003 0.000 1.118 264 S CA -0.625 57.587 58.200 0.020 0.000 0.947 264 S CB 1.593 64.797 63.200 0.008 0.000 1.053 264 S HN 0.706 nan 8.310 nan 0.000 0.482 265 D N 2.831 123.234 120.400 0.005 0.000 2.137 265 D HA 0.148 4.788 4.640 0.001 0.000 0.202 265 D C 1.492 177.788 176.300 -0.007 0.000 0.970 265 D CA 1.532 55.526 54.000 -0.011 0.000 0.837 265 D CB -0.493 40.301 40.800 -0.010 0.000 0.981 265 D HN 1.036 nan 8.370 nan 0.000 0.475 266 G N 0.011 108.812 108.800 0.002 0.000 2.305 266 G HA2 -0.121 3.840 3.960 0.001 0.000 0.287 266 G HA3 -0.121 3.840 3.960 0.001 0.000 0.287 266 G C 0.666 175.564 174.900 -0.004 0.000 1.036 266 G CA 0.954 46.053 45.100 -0.001 0.000 0.887 266 G HN 0.621 nan 8.290 nan 0.000 0.505 267 A N -1.328 121.492 122.820 -0.002 0.000 1.791 267 A HA 0.576 4.896 4.320 0.001 0.000 0.177 267 A C 0.577 178.159 177.584 -0.004 0.000 1.851 267 A CA 0.976 53.010 52.037 -0.005 0.000 1.130 267 A CB 0.487 19.482 19.000 -0.009 0.000 0.958 267 A HN 0.399 nan 8.150 nan 0.000 0.637 268 D N -0.774 119.626 120.400 -0.001 0.000 2.269 268 D HA 0.450 5.091 4.640 0.001 0.000 0.244 268 D C 0.420 176.717 176.300 -0.004 0.000 0.992 268 D CA -0.534 53.462 54.000 -0.006 0.000 0.894 268 D CB 1.528 42.325 40.800 -0.006 0.000 1.248 268 D HN 0.059 nan 8.370 nan 0.000 0.468 269 M N 1.641 121.221 119.600 -0.034 0.000 2.248 269 M HA -0.048 4.433 4.480 0.001 0.000 0.265 269 M C 1.665 177.884 176.300 -0.136 0.000 1.079 269 M CA 1.218 56.487 55.300 -0.053 0.000 1.150 269 M CB -0.241 32.313 32.600 -0.076 0.000 1.366 269 M HN 0.438 nan 8.290 nan 0.000 0.433 270 V N -3.476 116.305 119.914 -0.222 0.000 3.477 270 V HA 0.596 4.717 4.120 0.001 0.000 0.297 270 V C 0.514 176.556 176.094 -0.086 0.000 1.433 270 V CA -0.091 61.939 62.300 -0.450 0.000 1.052 270 V CB -0.531 30.940 31.823 -0.586 0.000 0.895 270 V HN 0.137 nan 8.190 nan 0.000 0.438 271 A N 2.034 124.858 122.820 0.007 0.000 2.365 271 A HA 0.946 5.267 4.320 0.001 0.000 0.318 271 A C -2.943 174.684 177.584 0.073 0.000 1.091 271 A CA -1.788 50.293 52.037 0.072 0.000 0.763 271 A CB 1.385 20.409 19.000 0.039 0.000 1.248 271 A HN 0.260 nan 8.150 nan 0.000 0.442 272 P HA 0.376 nan 4.420 nan 0.000 0.279 272 P C -0.463 176.819 177.300 -0.030 0.000 1.252 272 P CA -0.277 62.827 63.100 0.006 0.000 0.811 272 P CB 1.548 33.229 31.700 -0.031 0.000 1.035 273 S N -0.225 115.433 115.700 -0.070 0.000 2.566 273 S HA 0.422 4.893 4.470 0.001 0.000 0.324 273 S C 1.459 175.995 174.600 -0.106 0.000 1.081 273 S CA -0.241 57.922 58.200 -0.062 0.000 1.105 273 S CB 0.601 63.775 63.200 -0.043 0.000 0.981 273 S HN 0.587 nan 8.310 nan 0.000 0.464 274 G N 2.381 111.127 108.800 -0.090 0.000 2.581 274 G HA2 -0.292 3.669 3.960 0.001 0.000 0.223 274 G HA3 -0.292 3.669 3.960 0.001 0.000 0.223 274 G C 1.028 175.869 174.900 -0.098 0.000 1.094 274 G CA 1.213 46.250 45.100 -0.104 0.000 0.736 274 G HN 0.822 nan 8.290 nan 0.000 0.588 275 E N -0.004 120.151 120.200 -0.075 0.000 2.051 275 E HA -0.050 4.301 4.350 0.001 0.000 0.192 275 E C 2.738 179.298 176.600 -0.067 0.000 0.991 275 E CA 0.906 57.270 56.400 -0.059 0.000 0.799 275 E CB -0.491 29.183 29.700 -0.044 0.000 0.748 275 E HN 0.343 nan 8.360 nan 0.000 0.449 276 G N 0.270 109.020 108.800 -0.082 0.000 2.448 276 G HA2 -0.214 3.747 3.960 0.001 0.000 0.219 276 G HA3 -0.214 3.747 3.960 0.001 0.000 0.219 276 G C 1.534 176.387 174.900 -0.078 0.000 1.127 276 G CA 0.770 45.828 45.100 -0.070 0.000 0.766 276 G HN 0.389 nan 8.290 nan 0.000 0.552 277 A N 0.036 122.762 122.820 -0.155 0.000 1.930 277 A HA 0.229 4.550 4.320 0.001 0.000 0.215 277 A C 2.541 180.120 177.584 -0.009 0.000 1.176 277 A CA 1.351 53.306 52.037 -0.136 0.000 0.632 277 A CB -0.352 18.409 19.000 -0.397 0.000 0.819 277 A HN 0.199 nan 8.150 nan 0.000 0.445 278 V N 0.258 120.150 119.914 -0.037 0.000 2.295 278 V HA -0.274 3.847 4.120 0.001 0.000 0.246 278 V C 2.644 178.719 176.094 -0.031 0.000 1.049 278 V CA 2.285 64.569 62.300 -0.027 0.000 1.024 278 V CB -0.792 31.008 31.823 -0.039 0.000 0.648 278 V HN 0.524 nan 8.190 nan 0.000 0.447 279 R N -1.083 119.397 120.500 -0.034 0.000 2.096 279 R HA -0.176 4.165 4.340 0.001 0.000 0.235 279 R C 2.407 178.690 176.300 -0.028 0.000 1.127 279 R CA 1.643 57.719 56.100 -0.039 0.000 0.968 279 R CB -0.897 29.378 30.300 -0.042 0.000 0.861 279 R HN 0.558 nan 8.270 nan 0.000 0.440 280 C N 0.790 120.092 119.300 0.002 0.000 2.432 280 C HA -0.082 4.379 4.460 0.001 0.000 0.277 280 C C 2.615 177.624 174.990 0.033 0.000 1.249 280 C CA 0.907 59.941 59.018 0.027 0.000 1.725 280 C CB -0.668 27.137 27.740 0.108 0.000 2.028 280 C HN 0.461 nan 8.230 nan 0.000 0.477 281 M N -0.106 119.528 119.600 0.056 0.000 2.099 281 M HA -0.142 4.339 4.480 0.001 0.000 0.262 281 M C 2.267 178.566 176.300 -0.002 0.000 1.067 281 M CA 1.841 57.175 55.300 0.056 0.000 1.124 281 M CB -0.435 32.215 32.600 0.084 0.000 1.353 281 M HN 0.321 nan 8.290 nan 0.000 0.410 282 K N 0.067 120.442 120.400 -0.041 0.000 2.063 282 K HA -0.168 4.153 4.320 0.001 0.000 0.208 282 K C 1.940 178.531 176.600 -0.014 0.000 1.048 282 K CA 1.528 57.781 56.287 -0.057 0.000 0.928 282 K CB -0.192 32.266 32.500 -0.070 0.000 0.713 282 K HN 0.297 nan 8.250 nan 0.000 0.442 283 M N -0.025 119.559 119.600 -0.027 0.000 2.159 283 M HA -0.159 4.322 4.480 0.001 0.000 0.263 283 M C 1.959 178.270 176.300 0.017 0.000 1.063 283 M CA 1.751 57.029 55.300 -0.037 0.000 1.110 283 M CB -0.004 32.548 32.600 -0.080 0.000 1.374 283 M HN 0.192 nan 8.290 nan 0.000 0.411 284 A N 0.195 123.030 122.820 0.024 0.000 1.968 284 A HA -0.075 4.246 4.320 0.001 0.000 0.217 284 A C 1.883 179.511 177.584 0.074 0.000 1.169 284 A CA 1.320 53.391 52.037 0.057 0.000 0.638 284 A CB -0.529 18.512 19.000 0.067 0.000 0.812 284 A HN 0.641 nan 8.150 nan 0.000 0.446 285 M N -0.702 118.936 119.600 0.063 0.000 2.558 285 M HA 0.043 4.524 4.480 0.001 0.000 0.255 285 M C 0.826 177.161 176.300 0.057 0.000 1.113 285 M CA 0.202 55.534 55.300 0.053 0.000 1.097 285 M CB -0.153 32.456 32.600 0.015 0.000 1.426 285 M HN 0.447 nan 8.290 nan 0.000 0.488 286 H N 1.179 120.239 119.070 -0.017 0.000 3.091 286 H HA 0.092 4.649 4.556 0.001 0.000 0.289 286 H C 0.947 176.272 175.328 -0.005 0.000 0.995 286 H CA 1.625 57.662 56.048 -0.018 0.000 1.461 286 H CB 0.376 30.124 29.762 -0.024 0.000 1.510 286 H HN 0.559 nan 8.280 nan 0.000 0.546 287 G N 4.013 112.563 108.800 -0.417 0.000 2.175 287 G HA2 -0.260 3.701 3.960 0.001 0.000 0.244 287 G HA3 -0.260 3.701 3.960 0.001 0.000 0.244 287 G C 0.005 174.833 174.900 -0.121 0.000 0.982 287 G CA 0.152 45.069 45.100 -0.304 0.000 0.641 287 G HN 0.613 nan 8.290 nan 0.000 0.527 288 V N 2.610 122.483 119.914 -0.069 0.000 2.368 288 V HA 0.396 4.517 4.120 0.001 0.000 0.266 288 V C 0.864 176.946 176.094 -0.020 0.000 1.045 288 V CA 0.262 62.549 62.300 -0.022 0.000 0.899 288 V CB 1.437 33.267 31.823 0.012 0.000 1.006 288 V HN 0.462 nan 8.190 nan 0.000 0.470 289 D N 2.455 122.844 120.400 -0.018 0.000 2.352 289 D HA 0.031 4.672 4.640 0.001 0.000 0.236 289 D C 0.579 176.881 176.300 0.003 0.000 1.148 289 D CA -0.030 53.962 54.000 -0.013 0.000 0.844 289 D CB -0.031 40.758 40.800 -0.018 0.000 0.933 289 D HN 0.580 nan 8.370 nan 0.000 0.507 290 T N -3.149 111.414 114.554 0.015 0.000 2.900 290 T HA 0.587 4.938 4.350 0.001 0.000 0.295 290 T C -2.951 171.776 174.700 0.046 0.000 1.044 290 T CA -1.808 60.307 62.100 0.025 0.000 0.995 290 T CB 2.330 71.212 68.868 0.022 0.000 1.072 290 T HN -0.189 nan 8.240 nan 0.000 0.473 291 P HA 0.305 nan 4.420 nan 0.000 0.272 291 P C -0.388 176.960 177.300 0.080 0.000 1.223 291 P CA -0.650 62.500 63.100 0.082 0.000 0.784 291 P CB 0.472 32.211 31.700 0.066 0.000 0.923 292 I N 3.009 123.648 120.570 0.115 0.000 2.363 292 I HA 0.018 4.189 4.170 0.001 0.000 0.292 292 I C 1.291 177.400 176.117 -0.013 0.000 1.075 292 I CA 0.315 61.651 61.300 0.060 0.000 1.333 292 I CB -0.168 37.878 38.000 0.076 0.000 1.415 292 I HN 0.318 nan 8.210 nan 0.000 0.502 293 D N 5.038 125.448 120.400 0.016 0.000 2.213 293 D HA -0.104 4.537 4.640 0.001 0.000 0.205 293 D C 0.134 176.471 176.300 0.062 0.000 0.961 293 D CA 1.433 55.449 54.000 0.027 0.000 0.853 293 D CB 0.367 41.194 40.800 0.045 0.000 0.967 293 D HN 0.538 nan 8.370 nan 0.000 0.496 294 Y N 0.273 120.521 120.300 -0.086 0.000 2.479 294 Y HA 0.455 5.006 4.550 0.002 0.000 0.338 294 Y C -1.953 173.889 175.900 -0.097 0.000 1.055 294 Y CA -1.079 56.962 58.100 -0.098 0.000 1.023 294 Y CB 1.394 39.798 38.460 -0.093 0.000 1.287 294 Y HN -0.243 nan 8.280 nan 0.000 0.447 295 L N 7.265 127.895 121.223 -0.988 0.000 2.319 295 L HA 0.476 4.817 4.340 0.001 0.000 0.281 295 L C -0.949 175.329 176.870 -0.988 0.000 1.005 295 L CA -0.485 53.892 54.840 -0.771 0.000 0.828 295 L CB 0.783 42.571 42.059 -0.451 0.000 1.227 295 L HN 0.788 nan 8.230 nan 0.000 0.415 296 N N 3.617 121.898 118.700 -0.699 0.000 2.439 296 N HA 0.098 4.839 4.740 0.001 0.000 0.243 296 N C -0.286 175.129 175.510 -0.158 0.000 1.088 296 N CA -0.198 52.668 53.050 -0.306 0.000 0.940 296 N CB 0.934 39.418 38.487 -0.004 0.000 1.180 296 N HN 0.718 nan 8.380 nan 0.000 0.505 297 S N 2.675 118.321 115.700 -0.090 0.000 2.600 297 S HA -0.002 4.469 4.470 0.001 0.000 0.265 297 S C 1.229 175.817 174.600 -0.021 0.000 1.325 297 S CA -0.221 57.978 58.200 -0.002 0.000 1.002 297 S CB 1.203 64.485 63.200 0.136 0.000 0.921 297 S HN 0.717 nan 8.310 nan 0.000 0.554 298 H N 1.791 120.782 119.070 -0.133 0.000 2.428 298 H HA 0.190 4.746 4.556 0.001 0.000 0.296 298 H C 1.568 176.794 175.328 -0.169 0.000 1.062 298 H CA 0.818 56.729 56.048 -0.229 0.000 1.350 298 H CB -1.021 28.562 29.762 -0.298 0.000 1.403 298 H HN 0.984 nan 8.280 nan 0.000 0.533 299 G N 1.205 109.953 108.800 -0.088 0.000 2.629 299 G HA2 -0.284 3.677 3.960 0.001 0.000 0.334 299 G HA3 -0.284 3.677 3.960 0.001 0.000 0.334 299 G C 1.090 175.768 174.900 -0.371 0.000 0.208 299 G CA 1.020 45.984 45.100 -0.227 0.000 1.166 299 G HN 0.704 nan 8.290 nan 0.000 0.475 300 T N -1.105 113.235 114.554 -0.356 0.000 3.100 300 T HA 0.319 4.670 4.350 0.001 0.000 0.253 300 T C 1.343 175.999 174.700 -0.075 0.000 1.118 300 T CA 0.983 62.891 62.100 -0.319 0.000 1.058 300 T CB 0.232 68.908 68.868 -0.320 0.000 0.953 300 T HN 1.771 nan 8.240 nan 0.000 0.515 301 S N 0.734 116.373 115.700 -0.100 0.000 3.777 301 S HA -0.125 4.346 4.470 0.001 0.000 0.296 301 S C 0.145 174.781 174.600 0.061 0.000 1.173 301 S CA 0.539 58.709 58.200 -0.050 0.000 0.824 301 S CB -2.171 61.009 63.200 -0.034 0.000 0.932 301 S HN 1.273 nan 8.310 nan 0.000 0.571 302 T N -0.898 113.712 114.554 0.094 0.000 2.855 302 T HA 0.707 5.057 4.350 0.001 0.000 0.281 302 T C -1.444 173.326 174.700 0.118 0.000 1.007 302 T CA -1.595 60.594 62.100 0.148 0.000 1.009 302 T CB 1.705 70.710 68.868 0.228 0.000 0.983 302 T HN -0.049 nan 8.240 nan 0.000 0.455 303 P HA -0.156 nan 4.420 nan 0.000 0.214 303 P C 1.674 179.034 177.300 0.099 0.000 1.169 303 P CA 0.772 63.929 63.100 0.094 0.000 0.908 303 P CB -0.063 31.688 31.700 0.086 0.000 0.791 304 V N -0.476 119.504 119.914 0.110 0.000 2.346 304 V HA -0.091 4.030 4.120 0.001 0.000 0.244 304 V C 2.621 178.789 176.094 0.124 0.000 1.037 304 V CA 2.379 64.742 62.300 0.105 0.000 1.029 304 V CB -1.922 29.962 31.823 0.101 0.000 0.663 304 V HN 0.176 nan 8.190 nan 0.000 0.454 305 G N 0.045 108.940 108.800 0.158 0.000 2.491 305 G HA2 -0.316 3.645 3.960 0.001 0.000 0.218 305 G HA3 -0.316 3.645 3.960 0.001 0.000 0.218 305 G C 1.188 176.198 174.900 0.183 0.000 1.180 305 G CA 1.340 46.551 45.100 0.186 0.000 0.774 305 G HN 0.494 nan 8.290 nan 0.000 0.562 306 D N 0.136 120.631 120.400 0.160 0.000 2.126 306 D HA -0.162 4.479 4.640 0.001 0.000 0.190 306 D C 2.869 179.329 176.300 0.266 0.000 1.001 306 D CA 2.026 56.147 54.000 0.201 0.000 0.841 306 D CB -0.631 40.253 40.800 0.139 0.000 0.949 306 D HN 0.363 nan 8.370 nan 0.000 0.446 307 V N -1.545 118.480 119.914 0.185 0.000 2.871 307 V HA -0.026 4.095 4.120 0.001 0.000 0.256 307 V C 2.030 178.184 176.094 0.101 0.000 1.082 307 V CA 0.895 63.276 62.300 0.135 0.000 1.105 307 V CB -0.355 31.526 31.823 0.097 0.000 0.713 307 V HN -0.014 nan 8.190 nan 0.000 0.473 308 K N 0.906 121.365 120.400 0.099 0.000 2.026 308 K HA -0.209 4.112 4.320 0.001 0.000 0.208 308 K C 2.249 178.880 176.600 0.053 0.000 1.048 308 K CA 2.099 58.420 56.287 0.056 0.000 0.929 308 K CB -0.208 32.317 32.500 0.042 0.000 0.713 308 K HN 0.738 nan 8.250 nan 0.000 0.439 309 E N 0.840 121.108 120.200 0.114 0.000 2.150 309 E HA -0.122 4.229 4.350 0.001 0.000 0.193 309 E C 2.121 178.807 176.600 0.144 0.000 0.985 309 E CA 0.495 56.991 56.400 0.161 0.000 0.814 309 E CB 0.068 29.968 29.700 0.334 0.000 0.752 309 E HN 0.186 nan 8.360 nan 0.000 0.466 310 L N 0.311 121.609 121.223 0.125 0.000 2.093 310 L HA -0.112 4.229 4.340 0.001 0.000 0.208 310 L C 2.631 179.529 176.870 0.046 0.000 1.085 310 L CA 0.943 55.818 54.840 0.058 0.000 0.755 310 L CB -0.407 41.658 42.059 0.010 0.000 0.904 310 L HN 0.230 nan 8.230 nan 0.000 0.435 311 A N -0.079 122.769 122.820 0.047 0.000 1.930 311 A HA -0.127 4.194 4.320 0.001 0.000 0.217 311 A C 2.479 180.085 177.584 0.037 0.000 1.175 311 A CA 1.594 53.651 52.037 0.033 0.000 0.627 311 A CB -0.514 18.501 19.000 0.024 0.000 0.815 311 A HN 0.403 nan 8.150 nan 0.000 0.443 312 A N -0.165 122.682 122.820 0.044 0.000 1.929 312 A HA 0.028 4.349 4.320 0.001 0.000 0.216 312 A C 2.072 179.713 177.584 0.096 0.000 1.176 312 A CA 1.282 53.345 52.037 0.043 0.000 0.628 312 A CB -0.500 18.513 19.000 0.022 0.000 0.816 312 A HN 0.481 nan 8.150 nan 0.000 0.444 313 I N -1.229 119.426 120.570 0.142 0.000 2.252 313 I HA -0.202 3.968 4.170 0.001 0.000 0.245 313 I C 2.678 178.947 176.117 0.254 0.000 1.102 313 I CA 1.430 62.879 61.300 0.249 0.000 1.385 313 I CB -0.269 37.824 38.000 0.155 0.000 1.064 313 I HN 0.293 nan 8.210 nan 0.000 0.414 314 R N 0.749 121.325 120.500 0.127 0.000 2.148 314 R HA -0.206 4.135 4.340 0.001 0.000 0.227 314 R C 2.134 178.481 176.300 0.078 0.000 1.103 314 R CA 1.204 57.363 56.100 0.098 0.000 0.983 314 R CB 0.016 30.344 30.300 0.047 0.000 0.874 314 R HN 0.175 nan 8.270 nan 0.000 0.451 315 E N -0.614 119.618 120.200 0.053 0.000 2.216 315 E HA -0.070 4.281 4.350 0.001 0.000 0.192 315 E C 1.445 178.024 176.600 -0.035 0.000 0.988 315 E CA 0.937 57.342 56.400 0.009 0.000 0.834 315 E CB 0.243 29.942 29.700 -0.003 0.000 0.772 315 E HN 0.135 nan 8.360 nan 0.000 0.479 316 V N -0.452 119.428 119.914 -0.058 0.000 2.599 316 V HA -0.013 4.108 4.120 0.001 0.000 0.245 316 V C 1.050 176.864 176.094 -0.466 0.000 1.046 316 V CA 1.186 63.300 62.300 -0.311 0.000 1.065 316 V CB -0.302 31.222 31.823 -0.499 0.000 0.703 316 V HN 0.222 nan 8.190 nan 0.000 0.464 317 F N -0.027 119.921 119.950 -0.003 0.000 2.682 317 F HA 0.580 5.108 4.527 0.002 0.000 0.308 317 F C 1.736 177.532 175.800 -0.006 0.000 1.093 317 F CA 0.353 58.350 58.000 -0.005 0.000 1.244 317 F CB -0.190 38.804 39.000 -0.009 0.000 1.052 317 F HN 0.210 nan 8.300 nan 0.000 0.573 318 G N 1.063 109.936 108.800 0.121 0.000 2.651 318 G HA2 -0.376 3.585 3.960 0.001 0.000 0.315 318 G HA3 -0.376 3.585 3.960 0.001 0.000 0.315 318 G C 0.761 175.708 174.900 0.078 0.000 1.258 318 G CA 0.918 46.063 45.100 0.074 0.000 1.002 318 G HN 0.274 nan 8.290 nan 0.000 0.551 319 D N 1.411 121.846 120.400 0.058 0.000 2.339 319 D HA 0.122 4.763 4.640 0.001 0.000 0.217 319 D C 1.044 177.371 176.300 0.045 0.000 1.050 319 D CA 0.429 54.453 54.000 0.041 0.000 0.856 319 D CB 0.193 41.010 40.800 0.027 0.000 0.922 319 D HN 0.376 nan 8.370 nan 0.000 0.518 320 K N 1.315 121.760 120.400 0.076 0.000 3.016 320 K HA 0.139 4.460 4.320 0.001 0.000 0.226 320 K C 0.155 176.801 176.600 0.078 0.000 1.245 320 K CA -0.188 56.142 56.287 0.072 0.000 1.174 320 K CB 0.972 33.526 32.500 0.090 0.000 1.572 320 K HN -0.108 nan 8.250 nan 0.000 0.462 321 S N 2.169 117.876 115.700 0.012 0.000 2.564 321 S HA 0.281 4.752 4.470 0.001 0.000 0.278 321 S C -1.789 172.675 174.600 -0.227 0.000 1.333 321 S CA -0.954 57.176 58.200 -0.117 0.000 1.048 321 S CB 0.467 63.611 63.200 -0.094 0.000 0.900 321 S HN 0.182 nan 8.310 nan 0.000 0.505 322 P HA 0.320 nan 4.420 nan 0.000 0.275 322 P C -0.730 176.438 177.300 -0.220 0.000 1.266 322 P CA -0.603 62.299 63.100 -0.330 0.000 0.793 322 P CB 0.248 31.660 31.700 -0.480 0.000 1.074 323 A N 0.908 123.665 122.820 -0.104 0.000 2.477 323 A HA 0.437 4.758 4.320 0.001 0.000 0.246 323 A C 0.278 177.825 177.584 -0.063 0.000 1.078 323 A CA -0.076 51.951 52.037 -0.017 0.000 0.770 323 A CB -0.832 18.227 19.000 0.100 0.000 1.011 323 A HN 0.431 nan 8.150 nan 0.000 0.494 324 I N 1.547 122.084 120.570 -0.055 0.000 2.646 324 I HA 0.617 4.788 4.170 0.001 0.000 0.299 324 I C 0.112 176.275 176.117 0.077 0.000 1.036 324 I CA -0.358 60.881 61.300 -0.102 0.000 1.074 324 I CB 2.500 40.414 38.000 -0.142 0.000 1.258 324 I HN 0.746 nan 8.210 nan 0.000 0.430 325 S N 3.376 119.151 115.700 0.124 0.000 2.548 325 S HA 0.744 5.214 4.470 0.001 0.000 0.278 325 S C -1.138 173.573 174.600 0.184 0.000 1.150 325 S CA -0.745 57.592 58.200 0.229 0.000 0.907 325 S CB 1.709 65.084 63.200 0.292 0.000 1.108 325 S HN 0.838 nan 8.310 nan 0.000 0.459 326 A N 2.962 125.873 122.820 0.151 0.000 2.444 326 A HA 0.568 4.889 4.320 0.001 0.000 0.332 326 A C 1.269 178.844 177.584 -0.017 0.000 1.430 326 A CA -0.139 51.904 52.037 0.010 0.000 0.975 326 A CB -0.457 18.431 19.000 -0.187 0.000 1.147 326 A HN 1.447 nan 8.150 nan 0.000 0.524 327 T N -0.148 114.417 114.554 0.017 0.000 3.077 327 T HA -0.092 4.259 4.350 0.001 0.000 0.269 327 T C 1.351 176.016 174.700 -0.059 0.000 1.146 327 T CA 1.247 63.336 62.100 -0.020 0.000 1.091 327 T CB -0.271 68.596 68.868 -0.003 0.000 0.892 327 T HN 0.625 nan 8.240 nan 0.000 0.533 328 K N 0.931 121.279 120.400 -0.086 0.000 2.283 328 K HA 0.203 4.524 4.320 0.001 0.000 0.202 328 K C 2.547 179.094 176.600 -0.088 0.000 1.048 328 K CA 0.800 57.021 56.287 -0.110 0.000 0.948 328 K CB -0.292 32.077 32.500 -0.219 0.000 0.742 328 K HN 0.477 nan 8.250 nan 0.000 0.458 329 A N 0.588 123.350 122.820 -0.096 0.000 2.121 329 A HA -0.109 4.212 4.320 0.001 0.000 0.218 329 A C 1.908 179.458 177.584 -0.057 0.000 1.154 329 A CA 1.238 53.226 52.037 -0.081 0.000 0.679 329 A CB -0.194 18.756 19.000 -0.083 0.000 0.795 329 A HN 0.202 nan 8.150 nan 0.000 0.458 330 M N -1.650 117.913 119.600 -0.061 0.000 2.738 330 M HA -0.031 4.450 4.480 0.001 0.000 0.256 330 M C 2.416 178.686 176.300 -0.051 0.000 1.253 330 M CA 1.638 56.901 55.300 -0.062 0.000 1.223 330 M CB 0.099 32.642 32.600 -0.096 0.000 1.263 330 M HN 0.561 nan 8.290 nan 0.000 0.521 331 T N -1.938 112.582 114.554 -0.057 0.000 3.054 331 T HA 0.375 4.726 4.350 0.001 0.000 0.259 331 T C 1.021 175.729 174.700 0.012 0.000 1.092 331 T CA 0.627 62.713 62.100 -0.023 0.000 1.121 331 T CB -0.123 68.749 68.868 0.007 0.000 0.912 331 T HN 0.579 nan 8.240 nan 0.000 0.489 332 G N 0.845 109.653 108.800 0.013 0.000 2.685 332 G HA2 -0.088 3.873 3.960 0.001 0.000 0.387 332 G HA3 -0.088 3.873 3.960 0.001 0.000 0.387 332 G C -0.967 173.964 174.900 0.051 0.000 1.324 332 G CA -0.331 44.805 45.100 0.060 0.000 0.878 332 G HN 0.777 nan 8.290 nan 0.000 0.527 333 H N 0.846 119.893 119.070 -0.038 0.000 2.661 333 H HA 0.595 5.152 4.556 0.001 0.000 0.290 333 H C 1.622 176.849 175.328 -0.169 0.000 1.082 333 H CA -0.001 55.925 56.048 -0.205 0.000 1.234 333 H CB 0.645 30.080 29.762 -0.545 0.000 1.387 333 H HN 0.824 nan 8.280 nan 0.000 0.476 334 S N 4.669 120.456 115.700 0.145 0.000 2.754 334 S HA 0.085 4.556 4.470 0.001 0.000 0.223 334 S C 1.368 175.954 174.600 -0.022 0.000 0.951 334 S CA 0.103 58.318 58.200 0.024 0.000 0.954 334 S CB -0.614 62.586 63.200 -0.001 0.000 0.780 334 S HN 0.714 nan 8.310 nan 0.000 0.509 335 L N -0.162 120.992 121.223 -0.115 0.000 4.782 335 L HA -0.348 3.992 4.340 0.001 0.000 0.053 335 L C 2.249 179.100 176.870 -0.032 0.000 3.426 335 L CA 1.472 56.139 54.840 -0.288 0.000 1.357 335 L CB -2.102 39.775 42.059 -0.303 0.000 3.081 335 L HN 0.421 nan 8.230 nan 0.000 0.912 336 G N -1.096 107.690 108.800 -0.023 0.000 2.470 336 G HA2 0.071 4.032 3.960 0.001 0.000 0.220 336 G HA3 0.071 4.032 3.960 0.001 0.000 0.220 336 G C 1.252 176.157 174.900 0.008 0.000 1.121 336 G CA 1.224 46.332 45.100 0.013 0.000 0.766 336 G HN 0.854 nan 8.290 nan 0.000 0.553 337 A N 0.298 123.119 122.820 0.002 0.000 2.238 337 A HA 0.656 4.976 4.320 0.001 0.000 0.210 337 A C 2.534 180.087 177.584 -0.052 0.000 1.179 337 A CA 1.247 53.272 52.037 -0.020 0.000 0.827 337 A CB -0.197 18.797 19.000 -0.011 0.000 0.856 337 A HN 0.507 nan 8.150 nan 0.000 0.488 338 A N 0.198 123.006 122.820 -0.020 0.000 1.883 338 A HA 0.053 4.374 4.320 0.001 0.000 0.217 338 A C 2.349 179.864 177.584 -0.115 0.000 1.186 338 A CA 1.991 53.999 52.037 -0.049 0.000 0.624 338 A CB -1.330 17.676 19.000 0.010 0.000 0.822 338 A HN 0.688 nan 8.150 nan 0.000 0.444 339 G N -0.936 107.804 108.800 -0.100 0.000 2.459 339 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 339 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 339 G C 1.654 176.452 174.900 -0.170 0.000 1.183 339 G CA 1.352 46.368 45.100 -0.140 0.000 0.776 339 G HN 0.630 nan 8.290 nan 0.000 0.552 340 V N 0.056 119.875 119.914 -0.159 0.000 2.548 340 V HA -0.098 4.023 4.120 0.001 0.000 0.249 340 V C 2.696 178.629 176.094 -0.268 0.000 1.055 340 V CA 2.408 64.599 62.300 -0.181 0.000 1.065 340 V CB -0.192 31.549 31.823 -0.135 0.000 0.681 340 V HN 0.503 nan 8.190 nan 0.000 0.462 341 Q N -0.468 119.138 119.800 -0.325 0.000 2.079 341 Q HA -0.219 4.122 4.340 0.001 0.000 0.200 341 Q C 2.169 177.544 176.000 -1.041 0.000 0.974 341 Q CA 1.997 57.455 55.803 -0.575 0.000 0.840 341 Q CB -0.105 28.367 28.738 -0.443 0.000 0.898 341 Q HN 0.705 nan 8.270 nan 0.000 0.430 342 E N 0.328 120.131 120.200 -0.662 0.000 2.208 342 E HA -0.113 4.238 4.350 0.001 0.000 0.193 342 E C 1.804 178.246 176.600 -0.262 0.000 0.988 342 E CA 0.690 56.825 56.400 -0.442 0.000 0.828 342 E CB 0.022 29.629 29.700 -0.154 0.000 0.763 342 E HN 0.320 nan 8.360 nan 0.000 0.478 343 A N 0.850 123.515 122.820 -0.258 0.000 1.929 343 A HA -0.124 4.197 4.320 0.001 0.000 0.216 343 A C 2.100 179.578 177.584 -0.176 0.000 1.176 343 A CA 0.817 52.752 52.037 -0.170 0.000 0.628 343 A CB -0.365 18.535 19.000 -0.167 0.000 0.816 343 A HN 0.141 nan 8.150 nan 0.000 0.444 344 I N -1.345 119.062 120.570 -0.272 0.000 2.252 344 I HA -0.245 3.925 4.170 0.001 0.000 0.245 344 I C 2.228 178.305 176.117 -0.068 0.000 1.102 344 I CA 1.119 62.285 61.300 -0.223 0.000 1.385 344 I CB -0.361 37.483 38.000 -0.259 0.000 1.064 344 I HN 0.369 nan 8.210 nan 0.000 0.414 345 Y N 0.633 120.905 120.300 -0.048 0.000 2.224 345 Y HA -0.183 4.368 4.550 0.001 0.000 0.289 345 Y C 2.926 178.793 175.900 -0.056 0.000 1.146 345 Y CA 0.687 58.768 58.100 -0.032 0.000 1.182 345 Y CB -1.364 37.084 38.460 -0.020 0.000 0.983 345 Y HN 0.100 nan 8.280 nan 0.000 0.524 346 S N -0.199 115.568 115.700 0.111 0.000 2.368 346 S HA -0.119 4.352 4.470 0.001 0.000 0.225 346 S C 2.024 176.632 174.600 0.014 0.000 1.030 346 S CA 0.919 59.165 58.200 0.078 0.000 0.999 346 S CB -0.446 62.807 63.200 0.090 0.000 0.844 346 S HN 0.176 nan 8.310 nan 0.000 0.459 347 L N 1.492 122.711 121.223 -0.008 0.000 2.093 347 L HA 0.067 4.408 4.340 0.001 0.000 0.208 347 L C 2.036 178.951 176.870 0.074 0.000 1.085 347 L CA 1.396 56.229 54.840 -0.012 0.000 0.755 347 L CB -1.210 40.755 42.059 -0.155 0.000 0.904 347 L HN 0.318 nan 8.230 nan 0.000 0.435 348 L N -1.967 119.320 121.223 0.106 0.000 2.141 348 L HA -0.200 4.141 4.340 0.001 0.000 0.209 348 L C 2.457 179.493 176.870 0.276 0.000 1.094 348 L CA 0.985 56.002 54.840 0.296 0.000 0.763 348 L CB -0.307 41.918 42.059 0.276 0.000 0.908 348 L HN 0.262 nan 8.230 nan 0.000 0.437 349 M N -0.925 118.609 119.600 -0.110 0.000 2.200 349 M HA -0.194 4.287 4.480 0.001 0.000 0.265 349 M C 2.262 178.436 176.300 -0.210 0.000 1.066 349 M CA 1.530 56.489 55.300 -0.569 0.000 1.127 349 M CB -0.093 31.996 32.600 -0.851 0.000 1.379 349 M HN 0.233 nan 8.290 nan 0.000 0.420 350 L N -0.135 121.045 121.223 -0.071 0.000 2.027 350 L HA -0.216 4.125 4.340 0.001 0.000 0.206 350 L C 2.345 179.231 176.870 0.027 0.000 1.074 350 L CA 1.620 56.454 54.840 -0.009 0.000 0.745 350 L CB -0.292 41.782 42.059 0.026 0.000 0.898 350 L HN 0.287 nan 8.230 nan 0.000 0.433 351 E N -1.030 119.209 120.200 0.065 0.000 2.204 351 E HA -0.196 4.154 4.350 0.001 0.000 0.194 351 E C 1.447 177.899 176.600 -0.246 0.000 0.989 351 E CA 1.067 57.437 56.400 -0.051 0.000 0.824 351 E CB 0.161 29.874 29.700 0.021 0.000 0.756 351 E HN 0.515 nan 8.360 nan 0.000 0.477 352 H N -1.420 117.760 119.070 0.184 0.000 2.592 352 H HA 0.263 4.820 4.556 0.001 0.000 0.279 352 H C 0.579 176.064 175.328 0.262 0.000 1.089 352 H CA 0.319 56.507 56.048 0.233 0.000 1.150 352 H CB 0.816 30.771 29.762 0.322 0.000 1.575 352 H HN 0.238 nan 8.280 nan 0.000 0.547 353 G N 2.246 111.172 108.800 0.210 0.000 2.372 353 G HA2 -0.272 3.689 3.960 0.001 0.000 0.297 353 G HA3 -0.272 3.689 3.960 0.001 0.000 0.297 353 G C -0.166 174.858 174.900 0.207 0.000 1.005 353 G CA 0.975 46.157 45.100 0.138 0.000 1.173 353 G HN 0.532 nan 8.290 nan 0.000 0.511 354 F N -1.917 118.016 119.950 -0.029 0.000 2.668 354 F HA 0.813 5.341 4.527 0.002 0.000 0.309 354 F C -0.801 174.897 175.800 -0.170 0.000 1.117 354 F CA -2.304 55.654 58.000 -0.070 0.000 0.951 354 F CB 1.242 40.214 39.000 -0.047 0.000 1.323 354 F HN 0.016 nan 8.300 nan 0.000 0.451 355 I N 2.902 123.327 120.570 -0.241 0.000 2.355 355 I HA 0.586 4.757 4.170 0.001 0.000 0.288 355 I C 0.189 176.197 176.117 -0.182 0.000 0.999 355 I CA -1.021 59.992 61.300 -0.477 0.000 1.163 355 I CB 1.585 39.425 38.000 -0.265 0.000 1.316 355 I HN 0.968 nan 8.210 nan 0.000 0.454 356 A N 9.340 131.981 122.820 -0.298 0.000 2.483 356 A HA 0.428 4.749 4.320 0.001 0.000 0.238 356 A C -2.313 175.287 177.584 0.027 0.000 1.070 356 A CA -0.875 51.172 52.037 0.017 0.000 0.770 356 A CB -0.424 18.561 19.000 -0.026 0.000 1.008 356 A HN 0.423 nan 8.150 nan 0.000 0.497 357 P HA 0.147 nan 4.420 nan 0.000 0.277 357 P C -0.383 176.949 177.300 0.053 0.000 1.240 357 P CA -0.254 62.877 63.100 0.051 0.000 0.798 357 P CB 1.112 32.834 31.700 0.036 0.000 0.979 358 S N 2.014 117.758 115.700 0.074 0.000 2.464 358 S HA 0.402 4.873 4.470 0.001 0.000 0.313 358 S C 0.518 175.150 174.600 0.052 0.000 1.078 358 S CA -0.790 57.459 58.200 0.083 0.000 1.096 358 S CB -1.322 61.975 63.200 0.161 0.000 1.032 358 S HN 0.343 nan 8.310 nan 0.000 0.498 359 I N 1.919 122.499 120.570 0.016 0.000 2.970 359 I HA 0.531 4.702 4.170 0.001 0.000 0.310 359 I C 0.378 176.488 176.117 -0.011 0.000 1.010 359 I CA -0.508 60.793 61.300 0.002 0.000 1.228 359 I CB 0.434 38.426 38.000 -0.013 0.000 1.433 359 I HN 0.508 nan 8.210 nan 0.000 0.573 360 N N 1.364 120.055 118.700 -0.014 0.000 2.850 360 N HA -0.164 4.577 4.740 0.001 0.000 0.249 360 N C -0.579 174.924 175.510 -0.012 0.000 1.060 360 N CA 0.988 54.020 53.050 -0.031 0.000 0.825 360 N CB -1.553 36.889 38.487 -0.075 0.000 1.132 360 N HN 0.642 nan 8.380 nan 0.000 0.564 361 I N 1.124 121.707 120.570 0.022 0.000 2.256 361 I HA 0.057 4.228 4.170 0.001 0.000 0.294 361 I C 1.509 177.658 176.117 0.052 0.000 1.127 361 I CA -0.043 61.286 61.300 0.049 0.000 1.247 361 I CB 0.532 38.581 38.000 0.081 0.000 1.460 361 I HN 0.023 nan 8.210 nan 0.000 0.511 362 E N 2.926 123.163 120.200 0.062 0.000 2.112 362 E HA -0.106 4.244 4.350 0.001 0.000 0.190 362 E C 1.570 178.224 176.600 0.090 0.000 0.979 362 E CA 1.018 57.464 56.400 0.076 0.000 0.814 362 E CB 0.463 30.222 29.700 0.099 0.000 0.762 362 E HN 0.610 nan 8.360 nan 0.000 0.460 363 E N -0.729 119.531 120.200 0.099 0.000 2.290 363 E HA 0.170 4.521 4.350 0.001 0.000 0.195 363 E C -0.345 176.286 176.600 0.052 0.000 0.938 363 E CA -0.010 56.438 56.400 0.080 0.000 1.018 363 E CB 1.041 30.789 29.700 0.080 0.000 1.042 363 E HN -0.049 nan 8.360 nan 0.000 0.483 364 L N 2.792 124.045 121.223 0.050 0.000 1.626 364 L HA -0.107 4.234 4.340 0.001 0.000 0.563 364 L C -1.106 175.783 176.870 0.030 0.000 0.999 364 L CA -0.158 54.714 54.840 0.053 0.000 1.208 364 L CB -0.236 41.844 42.059 0.036 0.000 2.034 364 L HN 0.296 nan 8.230 nan 0.000 1.071 365 D N 2.926 123.354 120.400 0.047 0.000 2.506 365 D HA 0.008 4.649 4.640 0.001 0.000 0.234 365 D C 1.285 177.591 176.300 0.011 0.000 1.143 365 D CA 1.078 55.094 54.000 0.028 0.000 0.871 365 D CB 0.863 41.702 40.800 0.064 0.000 1.190 365 D HN 0.650 nan 8.370 nan 0.000 0.459 366 E N 2.011 122.214 120.200 0.004 0.000 2.038 366 E HA -0.305 4.046 4.350 0.001 0.000 0.195 366 E C 1.087 177.688 176.600 0.001 0.000 1.000 366 E CA 1.034 57.435 56.400 0.002 0.000 0.803 366 E CB -0.025 29.677 29.700 0.004 0.000 0.750 366 E HN 0.559 nan 8.360 nan 0.000 0.448 367 Q N -0.488 119.317 119.800 0.008 0.000 2.362 367 Q HA 0.030 4.371 4.340 0.001 0.000 0.210 367 Q C 0.017 176.013 176.000 -0.008 0.000 0.924 367 Q CA 0.461 56.268 55.803 0.007 0.000 0.982 367 Q CB 0.151 28.901 28.738 0.020 0.000 1.028 367 Q HN 0.436 nan 8.270 nan 0.000 0.482 368 A N -1.135 121.668 122.820 -0.028 0.000 2.600 368 A HA 0.465 4.785 4.320 0.001 0.000 0.252 368 A C 0.513 178.050 177.584 -0.078 0.000 1.200 368 A CA 0.060 52.049 52.037 -0.080 0.000 0.981 368 A CB 0.537 19.466 19.000 -0.118 0.000 1.207 368 A HN 0.327 nan 8.150 nan 0.000 0.577 369 A N -0.943 121.851 122.820 -0.042 0.000 2.386 369 A HA 0.503 4.824 4.320 0.001 0.000 0.248 369 A C 1.578 179.143 177.584 -0.033 0.000 1.082 369 A CA 0.646 52.663 52.037 -0.034 0.000 0.789 369 A CB -0.290 18.700 19.000 -0.017 0.000 1.025 369 A HN 1.942 nan 8.150 nan 0.000 0.490 370 G N -0.494 108.288 108.800 -0.029 0.000 2.195 370 G HA2 -0.182 3.779 3.960 0.001 0.000 0.246 370 G HA3 -0.182 3.779 3.960 0.001 0.000 0.246 370 G C 0.079 174.960 174.900 -0.032 0.000 0.984 370 G CA 0.489 45.575 45.100 -0.022 0.000 0.633 370 G HN 0.757 nan 8.290 nan 0.000 0.525 371 L N -0.598 120.591 121.223 -0.056 0.000 2.299 371 L HA 0.520 4.861 4.340 0.001 0.000 0.268 371 L C 0.690 177.512 176.870 -0.080 0.000 1.012 371 L CA -0.917 53.877 54.840 -0.077 0.000 0.816 371 L CB 1.429 43.417 42.059 -0.117 0.000 1.355 371 L HN 0.141 nan 8.230 nan 0.000 0.457 372 N N 1.203 119.848 118.700 -0.093 0.000 3.112 372 N HA 0.229 4.970 4.740 0.001 0.000 0.270 372 N C -0.931 174.537 175.510 -0.070 0.000 1.385 372 N CA -0.499 52.509 53.050 -0.069 0.000 0.986 372 N CB 0.403 38.857 38.487 -0.056 0.000 1.261 372 N HN 0.325 nan 8.380 nan 0.000 0.495 373 I N 2.969 123.489 120.570 -0.084 0.000 2.406 373 I HA 0.073 4.244 4.170 0.001 0.000 0.293 373 I C 0.387 176.508 176.117 0.006 0.000 1.101 373 I CA -0.271 60.990 61.300 -0.066 0.000 1.334 373 I CB 0.463 38.391 38.000 -0.120 0.000 1.421 373 I HN 0.053 nan 8.210 nan 0.000 0.513 374 V N 6.991 126.932 119.914 0.046 0.000 2.405 374 V HA 0.079 4.200 4.120 0.001 0.000 0.264 374 V C 1.479 177.615 176.094 0.070 0.000 1.048 374 V CA -0.027 62.309 62.300 0.060 0.000 0.966 374 V CB 0.731 32.602 31.823 0.081 0.000 1.015 374 V HN 0.892 nan 8.190 nan 0.000 0.477 375 T N 0.831 115.417 114.554 0.053 0.000 3.105 375 T HA 0.284 4.634 4.350 0.001 0.000 0.253 375 T C 0.320 175.044 174.700 0.040 0.000 1.047 375 T CA -0.118 62.013 62.100 0.053 0.000 0.944 375 T CB 0.065 68.961 68.868 0.048 0.000 1.016 375 T HN 0.617 nan 8.240 nan 0.000 0.544 376 E N 1.380 121.603 120.200 0.038 0.000 2.292 376 E HA 0.285 4.636 4.350 0.001 0.000 0.272 376 E C -0.933 175.690 176.600 0.039 0.000 0.881 376 E CA -0.630 55.788 56.400 0.031 0.000 0.754 376 E CB 2.137 31.851 29.700 0.023 0.000 1.201 376 E HN 0.148 nan 8.360 nan 0.000 0.425 377 T N 2.100 116.679 114.554 0.041 0.000 2.905 377 T HA 0.111 4.462 4.350 0.001 0.000 0.299 377 T C -0.076 174.664 174.700 0.067 0.000 1.024 377 T CA 0.595 62.739 62.100 0.072 0.000 1.151 377 T CB 0.152 69.049 68.868 0.048 0.000 0.987 377 T HN 0.268 nan 8.240 nan 0.000 0.535 378 T N 3.810 118.419 114.554 0.093 0.000 2.890 378 T HA 0.215 4.566 4.350 0.001 0.000 0.295 378 T C -0.597 174.161 174.700 0.098 0.000 0.993 378 T CA -0.867 61.273 62.100 0.067 0.000 0.979 378 T CB 1.112 70.004 68.868 0.039 0.000 0.967 378 T HN 0.464 nan 8.240 nan 0.000 0.441 379 D N 3.093 123.544 120.400 0.085 0.000 2.343 379 D HA 0.306 4.946 4.640 0.001 0.000 0.255 379 D C 0.289 176.629 176.300 0.067 0.000 1.187 379 D CA 0.211 54.274 54.000 0.104 0.000 0.875 379 D CB 1.026 41.867 40.800 0.068 0.000 1.136 379 D HN 0.365 nan 8.370 nan 0.000 0.469 380 R N 1.556 122.095 120.500 0.065 0.000 2.604 380 R HA 0.085 4.426 4.340 0.001 0.000 0.270 380 R C -0.917 175.399 176.300 0.027 0.000 1.052 380 R CA -0.651 55.469 56.100 0.033 0.000 0.902 380 R CB 1.631 31.940 30.300 0.014 0.000 1.233 380 R HN 0.134 nan 8.270 nan 0.000 0.455 381 E N 5.051 125.265 120.200 0.023 0.000 2.029 381 E HA 0.110 4.461 4.350 0.001 0.000 0.276 381 E C -0.694 175.913 176.600 0.011 0.000 1.163 381 E CA 0.069 56.480 56.400 0.019 0.000 0.909 381 E CB 0.185 29.896 29.700 0.017 0.000 1.046 381 E HN 0.412 nan 8.360 nan 0.000 0.406 382 L N 2.668 123.893 121.223 0.004 0.000 2.379 382 L HA 0.339 4.680 4.340 0.001 0.000 0.269 382 L C 1.341 178.218 176.870 0.011 0.000 1.084 382 L CA -0.426 54.417 54.840 0.004 0.000 0.802 382 L CB 1.390 43.439 42.059 -0.017 0.000 1.175 382 L HN 0.383 nan 8.230 nan 0.000 0.448 383 T N -1.661 112.904 114.554 0.019 0.000 3.115 383 T HA 0.086 4.437 4.350 0.001 0.000 0.256 383 T C 0.228 174.942 174.700 0.024 0.000 0.970 383 T CA 0.221 62.332 62.100 0.018 0.000 1.010 383 T CB 0.752 69.629 68.868 0.015 0.000 1.151 383 T HN 0.594 nan 8.240 nan 0.000 0.479 384 T N 3.063 117.637 114.554 0.034 0.000 2.841 384 T HA 0.687 5.038 4.350 0.001 0.000 0.285 384 T C -0.745 173.987 174.700 0.053 0.000 0.991 384 T CA -0.699 61.425 62.100 0.040 0.000 0.966 384 T CB 2.038 70.931 68.868 0.042 0.000 0.962 384 T HN 0.252 nan 8.240 nan 0.000 0.438 385 V N 1.260 121.208 119.914 0.056 0.000 2.769 385 V HA 0.857 4.978 4.120 0.001 0.000 0.312 385 V C -0.599 175.514 176.094 0.031 0.000 1.061 385 V CA -1.195 61.147 62.300 0.070 0.000 0.931 385 V CB 2.073 33.976 31.823 0.132 0.000 1.010 385 V HN 0.984 nan 8.190 nan 0.000 0.433 386 M N 3.127 122.715 119.600 -0.020 0.000 2.535 386 M HA 0.765 5.246 4.480 0.001 0.000 0.314 386 M C -0.923 175.330 176.300 -0.078 0.000 1.153 386 M CA -0.267 55.019 55.300 -0.023 0.000 0.924 386 M CB 2.214 34.823 32.600 0.015 0.000 1.710 386 M HN 0.952 nan 8.290 nan 0.000 0.451 387 S N 2.959 118.623 115.700 -0.059 0.000 2.614 387 S HA 0.582 5.053 4.470 0.001 0.000 0.288 387 S C -1.516 173.004 174.600 -0.133 0.000 1.137 387 S CA -0.790 57.352 58.200 -0.097 0.000 0.992 387 S CB 1.049 64.200 63.200 -0.082 0.000 1.026 387 S HN 0.843 nan 8.310 nan 0.000 0.486 388 N N 2.011 120.591 118.700 -0.201 0.000 2.405 388 N HA 0.589 5.330 4.740 0.001 0.000 0.299 388 N C -1.322 173.798 175.510 -0.650 0.000 1.075 388 N CA -0.410 52.391 53.050 -0.415 0.000 0.884 388 N CB 1.903 40.139 38.487 -0.417 0.000 1.194 388 N HN 0.453 nan 8.380 nan 0.000 0.491 389 S N 1.333 116.475 115.700 -0.931 0.000 2.619 389 S HA 0.639 5.110 4.470 0.001 0.000 0.280 389 S C -1.336 172.618 174.600 -1.077 0.000 1.150 389 S CA -0.583 57.078 58.200 -0.898 0.000 0.978 389 S CB 0.574 63.511 63.200 -0.438 0.000 1.041 389 S HN 0.297 nan 8.310 nan 0.000 0.485 390 F N 0.843 120.243 119.950 -0.916 0.000 2.563 390 F HA 0.881 5.409 4.527 0.002 0.000 0.316 390 F C 0.702 176.334 175.800 -0.280 0.000 1.076 390 F CA -0.896 56.818 58.000 -0.477 0.000 0.921 390 F CB 1.945 40.741 39.000 -0.340 0.000 1.209 390 F HN 0.682 nan 8.300 nan 0.000 0.462 391 G N 0.459 109.352 108.800 0.156 0.000 2.694 391 G HA2 0.596 4.557 3.960 0.001 0.000 0.290 391 G HA3 0.596 4.557 3.960 0.001 0.000 0.290 391 G C -1.530 173.540 174.900 0.283 0.000 1.386 391 G CA -0.732 44.451 45.100 0.138 0.000 0.872 391 G HN 0.207 nan 8.290 nan 0.000 0.475 392 F N 0.337 120.387 119.950 0.167 0.000 2.589 392 F HA 0.382 4.910 4.527 0.002 0.000 0.352 392 F C 1.746 177.606 175.800 0.100 0.000 1.168 392 F CA 1.008 59.089 58.000 0.135 0.000 1.353 392 F CB 0.642 39.722 39.000 0.134 0.000 1.116 392 F HN 1.165 nan 8.300 nan 0.000 0.608 393 G N 0.469 109.426 108.800 0.261 0.000 2.143 393 G HA2 0.028 3.989 3.960 0.001 0.000 0.249 393 G HA3 0.028 3.989 3.960 0.001 0.000 0.249 393 G C 0.833 175.805 174.900 0.120 0.000 0.981 393 G CA 0.406 45.594 45.100 0.147 0.000 0.665 393 G HN 1.916 nan 8.290 nan 0.000 0.528 394 G N -1.063 107.821 108.800 0.140 0.000 2.314 394 G HA2 0.092 4.053 3.960 0.001 0.000 0.292 394 G HA3 0.092 4.053 3.960 0.001 0.000 0.292 394 G C 0.292 175.255 174.900 0.105 0.000 1.059 394 G CA 1.305 46.463 45.100 0.097 0.000 0.982 394 G HN 1.933 nan 8.290 nan 0.000 0.505 395 T N 0.551 115.201 114.554 0.159 0.000 2.758 395 T HA 0.573 4.924 4.350 0.001 0.000 0.285 395 T C 0.093 174.954 174.700 0.270 0.000 0.981 395 T CA -0.629 61.592 62.100 0.201 0.000 0.965 395 T CB 0.280 69.282 68.868 0.223 0.000 0.927 395 T HN 0.390 nan 8.240 nan 0.000 0.448 396 N N 2.998 121.867 118.700 0.281 0.000 2.319 396 N HA 0.755 5.496 4.740 0.001 0.000 0.305 396 N C -1.266 174.374 175.510 0.216 0.000 1.103 396 N CA -0.750 52.503 53.050 0.337 0.000 0.815 396 N CB 2.177 40.838 38.487 0.291 0.000 1.288 396 N HN 0.731 nan 8.380 nan 0.000 0.493 397 A N 0.164 123.002 122.820 0.031 0.000 2.517 397 A HA 0.688 5.009 4.320 0.001 0.000 0.297 397 A C -0.727 176.798 177.584 -0.097 0.000 1.050 397 A CA -0.637 51.332 52.037 -0.114 0.000 0.694 397 A CB 1.670 20.344 19.000 -0.544 0.000 1.277 397 A HN 0.618 nan 8.150 nan 0.000 0.400 398 T N 0.937 115.497 114.554 0.010 0.000 2.933 398 T HA 0.694 5.045 4.350 0.001 0.000 0.305 398 T C -1.326 173.424 174.700 0.084 0.000 1.092 398 T CA -0.478 61.624 62.100 0.003 0.000 1.008 398 T CB 0.713 69.605 68.868 0.039 0.000 1.102 398 T HN 0.675 nan 8.240 nan 0.000 0.469 399 L N 3.245 124.490 121.223 0.037 0.000 2.365 399 L HA 0.806 5.147 4.340 0.001 0.000 0.273 399 L C -0.787 176.105 176.870 0.037 0.000 1.000 399 L CA -1.278 53.596 54.840 0.056 0.000 0.819 399 L CB 2.426 44.480 42.059 -0.009 0.000 1.284 399 L HN 0.491 nan 8.230 nan 0.000 0.418 400 V N 3.638 123.585 119.914 0.054 0.000 2.409 400 V HA 0.502 4.623 4.120 0.001 0.000 0.291 400 V C -0.173 175.940 176.094 0.033 0.000 1.020 400 V CA -0.326 62.002 62.300 0.047 0.000 0.848 400 V CB 1.724 33.585 31.823 0.063 0.000 0.990 400 V HN 0.700 nan 8.190 nan 0.000 0.430 401 M N 5.154 124.768 119.600 0.024 0.000 2.383 401 M HA 0.669 5.150 4.480 0.001 0.000 0.325 401 M C -0.440 175.874 176.300 0.023 0.000 1.092 401 M CA -0.280 55.029 55.300 0.016 0.000 0.961 401 M CB 2.326 34.929 32.600 0.006 0.000 1.672 401 M HN 0.551 nan 8.290 nan 0.000 0.438 402 R N 1.196 121.707 120.500 0.018 0.000 2.771 402 R HA 0.536 4.877 4.340 0.001 0.000 0.274 402 R C -1.144 175.161 176.300 0.008 0.000 0.987 402 R CA -0.822 55.287 56.100 0.016 0.000 0.908 402 R CB 2.022 32.331 30.300 0.015 0.000 1.213 402 R HN 0.629 nan 8.270 nan 0.000 0.468 403 K N 1.980 122.384 120.400 0.006 0.000 2.219 403 K HA 0.215 4.536 4.320 0.001 0.000 0.258 403 K C -0.069 176.521 176.600 -0.016 0.000 1.008 403 K CA -0.189 56.094 56.287 -0.007 0.000 0.928 403 K CB 0.610 33.105 32.500 -0.007 0.000 0.983 403 K HN 0.349 nan 8.250 nan 0.000 0.484 404 L N 0.000 121.204 121.223 -0.031 0.000 2.949 404 L HA 0.000 4.341 4.340 0.001 0.000 0.249 404 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 404 L CB 0.000 42.029 42.059 -0.049 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502