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 1wnb_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQHKLLINGE LVSGEGEKQP VYNPATGDVL LEIAEASAEQ VDAAVRAADA DATA SEQUENCE AFAEWGQTTP KVRAECLLKL ADVIEENGQV FAELESRNCG KPLHSAFNDE DATA SEQUENCE IPAIVDVFRF FAGAARCLNG LAAGEYLEGH TSMIRRDPLG VVASIAPWNY DATA SEQUENCE PLMMAAWKLA PALAAGNCVV LKPSEITPLT ALKLAELAKD IFPAGVVNIL DATA SEQUENCE FGRGKTVGDP LTGHPKVRMV SLTGSIATGE HIISHTASSI KRTHMELGGK DATA SEQUENCE APVIVFDDAD IEAVVEGVRT FGYYNAGQDC TAACRIYAQK GIYDTLVEKL DATA SEQUENCE GAAVATLKSG APDDESTELG PLSSLAHLER VGKAVEEAKA TGHIKVITGG DATA SEQUENCE EKRKGNGYYY APTLLAGALQ DDAIVQKEVF GPVVSVTPFD NEEQVVNWAN DATA SEQUENCE DSQYGLASSV WTKDVGRAHR VSARLQYGCT WVNTHFMLVS EMPHGGQKLS DATA SEQUENCE GYGKDMSLYG LEDYTVVRHV MVKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 Q N 3.409 123.186 119.800 -0.038 0.000 2.278 2 Q HA 0.387 4.728 4.340 0.001 0.000 0.257 2 Q C 0.449 176.402 176.000 -0.078 0.000 0.928 2 Q CA -0.148 55.596 55.803 -0.099 0.000 0.932 2 Q CB 1.417 30.093 28.738 -0.104 0.000 1.221 2 Q HN 0.852 nan 8.270 nan 0.000 0.434 3 H N -0.115 118.911 119.070 -0.073 0.000 2.893 3 H HA 0.353 4.909 4.556 0.001 0.000 0.270 3 H C -0.499 174.784 175.328 -0.075 0.000 1.095 3 H CA -0.413 55.569 56.048 -0.110 0.000 1.186 3 H CB 1.062 30.747 29.762 -0.128 0.000 1.562 3 H HN 0.237 nan 8.280 nan 0.000 0.536 4 K N 1.947 122.185 120.400 -0.270 0.000 2.118 4 K HA 0.368 4.688 4.320 0.001 0.000 0.267 4 K C 0.084 176.668 176.600 -0.026 0.000 0.991 4 K CA -0.681 55.530 56.287 -0.128 0.000 0.916 4 K CB 2.330 34.715 32.500 -0.192 0.000 1.041 4 K HN 0.070 nan 8.250 nan 0.000 0.455 5 L N 2.788 124.027 121.223 0.028 0.000 2.439 5 L HA 0.210 4.550 4.340 0.001 0.000 0.269 5 L C 0.323 177.204 176.870 0.018 0.000 1.179 5 L CA -0.376 54.491 54.840 0.046 0.000 0.828 5 L CB 0.064 42.164 42.059 0.068 0.000 1.106 5 L HN 0.413 nan 8.230 nan 0.000 0.467 6 L N 5.011 126.244 121.223 0.017 0.000 2.262 6 L HA 0.517 4.857 4.340 0.001 0.000 0.288 6 L C -0.704 176.164 176.870 -0.002 0.000 1.035 6 L CA -0.249 54.593 54.840 0.002 0.000 0.820 6 L CB 0.677 42.735 42.059 -0.002 0.000 1.204 6 L HN 0.560 nan 8.230 nan 0.000 0.424 7 I N 5.115 125.684 120.570 -0.003 0.000 2.447 7 I HA 0.246 4.417 4.170 0.001 0.000 0.287 7 I C 0.287 176.398 176.117 -0.011 0.000 1.023 7 I CA -0.674 60.622 61.300 -0.007 0.000 1.083 7 I CB 1.577 39.579 38.000 0.004 0.000 1.245 7 I HN 0.641 nan 8.210 nan 0.000 0.434 8 N N 4.846 123.533 118.700 -0.021 0.000 2.721 8 N HA -0.213 4.528 4.740 0.001 0.000 0.249 8 N C 0.743 176.248 175.510 -0.008 0.000 1.072 8 N CA 1.480 54.521 53.050 -0.015 0.000 0.710 8 N CB -0.665 37.819 38.487 -0.005 0.000 0.993 8 N HN 1.157 nan 8.380 nan 0.000 0.547 9 G N -2.051 106.742 108.800 -0.011 0.000 2.175 9 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 9 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 9 G C -0.511 174.388 174.900 -0.002 0.000 0.982 9 G CA 0.405 45.503 45.100 -0.004 0.000 0.641 9 G HN 0.508 nan 8.290 nan 0.000 0.527 10 E N -0.123 120.075 120.200 -0.003 0.000 2.238 10 E HA 0.570 4.920 4.350 0.001 0.000 0.267 10 E C -0.013 176.584 176.600 -0.006 0.000 0.887 10 E CA -0.807 55.591 56.400 -0.003 0.000 0.769 10 E CB 1.834 31.534 29.700 0.001 0.000 1.187 10 E HN 0.273 nan 8.360 nan 0.000 0.416 11 L N 2.195 123.411 121.223 -0.012 0.000 2.278 11 L HA 0.353 4.693 4.340 0.001 0.000 0.287 11 L C 0.124 176.984 176.870 -0.017 0.000 1.072 11 L CA -0.850 53.977 54.840 -0.022 0.000 0.819 11 L CB 0.548 42.580 42.059 -0.044 0.000 1.176 11 L HN 0.241 nan 8.230 nan 0.000 0.435 12 V N -0.249 119.663 119.914 -0.004 0.000 2.789 12 V HA 0.531 4.652 4.120 0.001 0.000 0.311 12 V C 0.198 176.313 176.094 0.036 0.000 1.073 12 V CA -0.776 61.533 62.300 0.015 0.000 0.921 12 V CB 1.694 33.531 31.823 0.023 0.000 1.009 12 V HN 0.643 nan 8.190 nan 0.000 0.426 13 S N 2.622 118.359 115.700 0.061 0.000 2.552 13 S HA 0.406 4.876 4.470 0.001 0.000 0.289 13 S C 0.949 175.606 174.600 0.095 0.000 1.304 13 S CA 0.362 58.629 58.200 0.112 0.000 1.063 13 S CB 0.672 63.945 63.200 0.122 0.000 0.848 13 S HN 1.593 nan 8.310 nan 0.000 0.499 14 G N 1.655 110.526 108.800 0.118 0.000 2.464 14 G HA2 0.061 4.021 3.960 0.001 0.000 0.231 14 G HA3 0.061 4.021 3.960 0.001 0.000 0.231 14 G C 0.168 175.120 174.900 0.086 0.000 1.267 14 G CA -0.249 44.921 45.100 0.116 0.000 0.863 14 G HN 0.840 nan 8.290 nan 0.000 0.559 15 E N 0.911 121.155 120.200 0.074 0.000 2.583 15 E HA 0.197 4.547 4.350 0.001 0.000 0.213 15 E C 1.555 178.188 176.600 0.055 0.000 0.989 15 E CA -0.010 56.424 56.400 0.056 0.000 0.991 15 E CB 0.786 30.513 29.700 0.045 0.000 1.040 15 E HN 0.574 nan 8.360 nan 0.000 0.481 16 G N 0.579 109.420 108.800 0.069 0.000 2.509 16 G HA2 0.169 4.129 3.960 0.001 0.000 0.269 16 G HA3 0.169 4.129 3.960 0.001 0.000 0.269 16 G C -0.151 174.790 174.900 0.068 0.000 1.416 16 G CA -0.519 44.619 45.100 0.062 0.000 1.052 16 G HN 0.005 nan 8.290 nan 0.000 0.542 17 E N -0.091 120.149 120.200 0.066 0.000 2.343 17 E HA 0.185 4.535 4.350 0.001 0.000 0.269 17 E C -0.268 176.390 176.600 0.097 0.000 1.047 17 E CA -0.100 56.338 56.400 0.063 0.000 0.874 17 E CB 1.007 30.736 29.700 0.049 0.000 1.033 17 E HN 0.190 nan 8.360 nan 0.000 0.409 18 K N 2.677 123.122 120.400 0.074 0.000 2.322 18 K HA 0.119 4.440 4.320 0.001 0.000 0.283 18 K C -0.319 176.344 176.600 0.105 0.000 1.042 18 K CA -0.232 56.102 56.287 0.078 0.000 0.958 18 K CB 0.654 33.166 32.500 0.020 0.000 0.984 18 K HN 0.255 nan 8.250 nan 0.000 0.473 19 Q N 3.047 122.949 119.800 0.170 0.000 2.353 19 Q HA 0.389 4.730 4.340 0.001 0.000 0.268 19 Q C -2.510 173.571 176.000 0.136 0.000 1.045 19 Q CA -2.380 53.547 55.803 0.206 0.000 0.811 19 Q CB 1.775 30.743 28.738 0.383 0.000 1.305 19 Q HN 0.410 nan 8.270 nan 0.000 0.447 20 P HA 0.245 nan 4.420 nan 0.000 0.284 20 P C -0.629 176.691 177.300 0.034 0.000 1.253 20 P CA -0.382 62.704 63.100 -0.023 0.000 0.800 20 P CB 1.023 32.683 31.700 -0.068 0.000 0.961 21 V N 4.395 124.256 119.914 -0.088 0.000 2.417 21 V HA 0.312 4.433 4.120 0.001 0.000 0.291 21 V C -0.339 175.693 176.094 -0.105 0.000 1.024 21 V CA -0.496 61.814 62.300 0.016 0.000 0.861 21 V CB 0.621 32.446 31.823 0.004 0.000 0.985 21 V HN 0.395 nan 8.190 nan 0.000 0.436 22 Y N 2.035 122.371 120.300 0.059 0.000 2.419 22 Y HA 0.333 4.883 4.550 0.001 0.000 0.328 22 Y C 0.702 176.626 175.900 0.040 0.000 1.162 22 Y CA -0.738 57.400 58.100 0.063 0.000 1.174 22 Y CB 1.046 39.584 38.460 0.131 0.000 1.228 22 Y HN 0.643 nan 8.280 nan 0.000 0.473 23 N N 4.238 123.028 118.700 0.149 0.000 2.415 23 N HA 0.162 4.902 4.740 0.001 0.000 0.246 23 N C -1.956 173.558 175.510 0.007 0.000 1.078 23 N CA -1.722 51.365 53.050 0.061 0.000 0.942 23 N CB 0.874 39.369 38.487 0.012 0.000 1.140 23 N HN 0.332 nan 8.380 nan 0.000 0.501 24 P HA -0.020 nan 4.420 nan 0.000 0.237 24 P C 0.580 177.643 177.300 -0.395 0.000 1.178 24 P CA 0.421 63.394 63.100 -0.211 0.000 0.766 24 P CB 0.271 32.002 31.700 0.052 0.000 0.876 25 A N 0.427 123.121 122.820 -0.209 0.000 2.066 25 A HA -0.037 4.283 4.320 0.001 0.000 0.218 25 A C 1.940 179.489 177.584 -0.058 0.000 1.157 25 A CA 2.117 54.089 52.037 -0.109 0.000 0.670 25 A CB -1.079 17.939 19.000 0.030 0.000 0.804 25 A HN 0.378 nan 8.150 nan 0.000 0.453 26 T N -7.025 107.444 114.554 -0.141 0.000 2.992 26 T HA 0.422 4.773 4.350 0.001 0.000 0.255 26 T C 1.410 176.035 174.700 -0.125 0.000 0.938 26 T CA 1.011 63.059 62.100 -0.086 0.000 0.895 26 T CB 0.179 69.030 68.868 -0.029 0.000 1.221 26 T HN 1.654 nan 8.240 nan 0.000 0.512 27 G N 1.996 110.676 108.800 -0.201 0.000 2.162 27 G HA2 -0.206 3.754 3.960 0.001 0.000 0.260 27 G HA3 -0.206 3.754 3.960 0.001 0.000 0.260 27 G C -0.370 174.643 174.900 0.189 0.000 0.976 27 G CA 0.189 45.278 45.100 -0.019 0.000 0.655 27 G HN 0.610 nan 8.290 nan 0.000 0.533 28 D N -0.152 120.295 120.400 0.078 0.000 2.339 28 D HA 0.427 5.067 4.640 0.001 0.000 0.245 28 D C 0.755 177.033 176.300 -0.037 0.000 1.115 28 D CA -0.149 53.870 54.000 0.032 0.000 0.917 28 D CB 1.676 42.472 40.800 -0.007 0.000 1.192 28 D HN 0.093 nan 8.370 nan 0.000 0.428 29 V N 2.940 122.753 119.914 -0.168 0.000 2.461 29 V HA 0.064 4.184 4.120 0.001 0.000 0.275 29 V C 1.549 177.525 176.094 -0.197 0.000 1.047 29 V CA -0.224 61.856 62.300 -0.367 0.000 0.955 29 V CB 1.131 32.727 31.823 -0.380 0.000 0.988 29 V HN 0.456 nan 8.190 nan 0.000 0.471 30 L N 5.224 126.343 121.223 -0.175 0.000 2.068 30 L HA 0.076 4.416 4.340 0.001 0.000 0.204 30 L C 0.170 176.977 176.870 -0.105 0.000 1.076 30 L CA 1.213 55.994 54.840 -0.099 0.000 0.753 30 L CB 0.072 42.096 42.059 -0.060 0.000 0.910 30 L HN 0.626 nan 8.230 nan 0.000 0.439 31 L N -4.745 116.397 121.223 -0.135 0.000 3.119 31 L HA 0.436 4.776 4.340 0.001 0.000 0.283 31 L C -1.195 175.585 176.870 -0.151 0.000 1.028 31 L CA -1.351 53.410 54.840 -0.133 0.000 0.975 31 L CB 0.970 42.959 42.059 -0.117 0.000 1.543 31 L HN -0.188 nan 8.230 nan 0.000 0.390 32 E N 0.667 120.779 120.200 -0.145 0.000 2.183 32 E HA 0.801 5.151 4.350 0.001 0.000 0.271 32 E C -1.164 175.330 176.600 -0.178 0.000 0.919 32 E CA -0.591 55.731 56.400 -0.129 0.000 0.781 32 E CB 2.706 32.350 29.700 -0.093 0.000 1.140 32 E HN 0.505 nan 8.360 nan 0.000 0.402 33 I N 1.809 122.262 120.570 -0.196 0.000 2.498 33 I HA 0.367 4.537 4.170 0.001 0.000 0.290 33 I C -0.193 175.892 176.117 -0.054 0.000 1.032 33 I CA -0.971 60.151 61.300 -0.297 0.000 1.073 33 I CB 1.934 39.438 38.000 -0.828 0.000 1.251 33 I HN 0.505 nan 8.210 nan 0.000 0.426 34 A N 5.814 128.644 122.820 0.016 0.000 2.450 34 A HA 0.259 4.579 4.320 0.001 0.000 0.255 34 A C 0.251 178.026 177.584 0.320 0.000 1.096 34 A CA -0.256 51.867 52.037 0.143 0.000 0.778 34 A CB 0.024 19.070 19.000 0.077 0.000 1.031 34 A HN 0.760 nan 8.150 nan 0.000 0.494 35 E N 1.128 121.537 120.200 0.347 0.000 2.418 35 E HA 0.275 4.625 4.350 0.001 0.000 0.261 35 E C 0.640 177.347 176.600 0.178 0.000 1.070 35 E CA 0.228 56.797 56.400 0.281 0.000 0.931 35 E CB 0.554 30.301 29.700 0.079 0.000 0.954 35 E HN 0.798 nan 8.360 nan 0.000 0.439 36 A N 2.432 125.338 122.820 0.142 0.000 2.540 36 A HA 0.095 4.416 4.320 0.001 0.000 0.239 36 A C 0.491 178.112 177.584 0.062 0.000 1.061 36 A CA -0.024 52.068 52.037 0.092 0.000 0.758 36 A CB 0.078 19.121 19.000 0.071 0.000 0.991 36 A HN 0.598 nan 8.150 nan 0.000 0.502 37 S N 1.702 117.437 115.700 0.057 0.000 2.624 37 S HA 0.482 4.953 4.470 0.001 0.000 0.263 37 S C 1.325 175.952 174.600 0.044 0.000 1.287 37 S CA -0.144 58.084 58.200 0.046 0.000 0.990 37 S CB 1.069 64.295 63.200 0.044 0.000 0.950 37 S HN 1.629 nan 8.310 nan 0.000 0.561 38 A N 0.478 123.324 122.820 0.043 0.000 1.972 38 A HA -0.047 4.274 4.320 0.001 0.000 0.219 38 A C 2.049 179.667 177.584 0.058 0.000 1.169 38 A CA 1.634 53.701 52.037 0.050 0.000 0.635 38 A CB -1.109 17.918 19.000 0.045 0.000 0.810 38 A HN 0.936 nan 8.150 nan 0.000 0.446 39 E N -0.377 119.853 120.200 0.049 0.000 2.077 39 E HA -0.199 4.152 4.350 0.001 0.000 0.193 39 E C 2.281 178.910 176.600 0.048 0.000 0.989 39 E CA 1.482 57.911 56.400 0.049 0.000 0.800 39 E CB -0.145 29.580 29.700 0.041 0.000 0.746 39 E HN 0.741 nan 8.360 nan 0.000 0.452 40 Q N -0.133 119.693 119.800 0.045 0.000 2.079 40 Q HA -0.123 4.218 4.340 0.001 0.000 0.200 40 Q C 2.314 178.334 176.000 0.033 0.000 0.974 40 Q CA 1.248 57.075 55.803 0.039 0.000 0.840 40 Q CB 0.055 28.820 28.738 0.045 0.000 0.898 40 Q HN 0.166 nan 8.270 nan 0.000 0.430 41 V N 1.448 121.387 119.914 0.042 0.000 2.252 41 V HA -0.318 3.803 4.120 0.001 0.000 0.249 41 V C 1.898 178.010 176.094 0.029 0.000 1.056 41 V CA 2.284 64.607 62.300 0.038 0.000 1.022 41 V CB -0.665 31.196 31.823 0.062 0.000 0.641 41 V HN 0.432 nan 8.190 nan 0.000 0.445 42 D N 0.090 120.537 120.400 0.078 0.000 2.104 42 D HA -0.162 4.478 4.640 0.001 0.000 0.194 42 D C 2.092 178.407 176.300 0.024 0.000 0.994 42 D CA 1.610 55.681 54.000 0.117 0.000 0.830 42 D CB -0.232 40.669 40.800 0.168 0.000 0.959 42 D HN 0.378 nan 8.370 nan 0.000 0.452 43 A N 0.416 123.251 122.820 0.026 0.000 1.933 43 A HA 0.007 4.328 4.320 0.001 0.000 0.218 43 A C 2.379 179.951 177.584 -0.021 0.000 1.175 43 A CA 2.240 54.283 52.037 0.010 0.000 0.628 43 A CB -1.126 17.886 19.000 0.020 0.000 0.814 43 A HN 0.352 nan 8.150 nan 0.000 0.444 44 A N -0.508 122.293 122.820 -0.031 0.000 1.877 44 A HA -0.038 4.283 4.320 0.001 0.000 0.216 44 A C 2.236 179.762 177.584 -0.098 0.000 1.186 44 A CA 1.896 53.902 52.037 -0.052 0.000 0.620 44 A CB -1.039 17.938 19.000 -0.038 0.000 0.822 44 A HN 0.427 nan 8.150 nan 0.000 0.443 45 V N 0.007 119.815 119.914 -0.177 0.000 2.343 45 V HA -0.279 3.841 4.120 0.001 0.000 0.247 45 V C 2.644 178.616 176.094 -0.203 0.000 1.051 45 V CA 2.275 64.401 62.300 -0.291 0.000 1.036 45 V CB -0.849 30.541 31.823 -0.720 0.000 0.654 45 V HN 0.512 nan 8.190 nan 0.000 0.451 46 R N -0.084 120.330 120.500 -0.144 0.000 2.096 46 R HA -0.114 4.227 4.340 0.001 0.000 0.235 46 R C 2.436 178.728 176.300 -0.014 0.000 1.127 46 R CA 1.438 57.513 56.100 -0.041 0.000 0.968 46 R CB -0.545 29.759 30.300 0.008 0.000 0.861 46 R HN 0.550 nan 8.270 nan 0.000 0.440 47 A N 1.193 124.000 122.820 -0.023 0.000 1.898 47 A HA -0.096 4.224 4.320 0.001 0.000 0.216 47 A C 2.371 179.952 177.584 -0.005 0.000 1.181 47 A CA 1.606 53.638 52.037 -0.008 0.000 0.620 47 A CB -0.614 18.376 19.000 -0.016 0.000 0.819 47 A HN 0.388 nan 8.150 nan 0.000 0.442 48 A N 0.144 122.945 122.820 -0.032 0.000 1.908 48 A HA -0.232 4.088 4.320 0.001 0.000 0.218 48 A C 1.841 179.448 177.584 0.039 0.000 1.181 48 A CA 2.296 54.318 52.037 -0.026 0.000 0.627 48 A CB -0.751 18.207 19.000 -0.071 0.000 0.818 48 A HN 0.610 nan 8.150 nan 0.000 0.445 49 D N -0.600 119.814 120.400 0.024 0.000 2.183 49 D HA 0.064 4.704 4.640 0.001 0.000 0.203 49 D C 1.860 178.247 176.300 0.144 0.000 0.969 49 D CA 1.397 55.444 54.000 0.078 0.000 0.842 49 D CB -0.157 40.665 40.800 0.037 0.000 0.957 49 D HN 0.323 nan 8.370 nan 0.000 0.484 50 A N 0.202 123.080 122.820 0.097 0.000 1.970 50 A HA 0.247 4.568 4.320 0.001 0.000 0.216 50 A C 2.312 179.969 177.584 0.122 0.000 1.170 50 A CA 1.398 53.495 52.037 0.100 0.000 0.645 50 A CB -0.745 18.293 19.000 0.063 0.000 0.816 50 A HN 0.309 nan 8.150 nan 0.000 0.447 51 A N -1.138 121.756 122.820 0.124 0.000 1.969 51 A HA -0.000 4.320 4.320 0.001 0.000 0.218 51 A C 1.895 179.641 177.584 0.269 0.000 1.169 51 A CA 1.361 53.484 52.037 0.144 0.000 0.635 51 A CB -0.680 18.361 19.000 0.068 0.000 0.810 51 A HN 0.575 nan 8.150 nan 0.000 0.445 52 F N 1.371 121.399 119.950 0.130 0.000 2.161 52 F HA -0.170 4.357 4.527 0.001 0.000 0.300 52 F C 2.476 178.367 175.800 0.150 0.000 1.089 52 F CA 0.708 58.817 58.000 0.181 0.000 1.282 52 F CB -0.666 38.410 39.000 0.126 0.000 1.010 52 F HN 0.280 nan 8.300 nan 0.000 0.485 53 A N 0.029 122.877 122.820 0.047 0.000 1.915 53 A HA -0.283 4.037 4.320 0.001 0.000 0.220 53 A C 2.193 179.697 177.584 -0.133 0.000 1.198 53 A CA 2.387 54.370 52.037 -0.090 0.000 0.647 53 A CB -0.857 18.149 19.000 0.010 0.000 0.825 53 A HN 0.593 nan 8.150 nan 0.000 0.456 54 E N -2.207 117.986 120.200 -0.012 0.000 2.166 54 E HA -0.083 4.267 4.350 0.001 0.000 0.192 54 E C 1.956 178.579 176.600 0.039 0.000 0.967 54 E CA 0.350 56.755 56.400 0.008 0.000 0.840 54 E CB -0.319 29.422 29.700 0.069 0.000 0.795 54 E HN 0.872 nan 8.360 nan 0.000 0.470 55 W N 1.894 123.166 121.300 -0.047 0.000 2.363 55 W HA -0.073 4.588 4.660 0.001 0.000 0.296 55 W C 1.713 178.216 176.519 -0.027 0.000 1.212 55 W CA 1.605 58.961 57.345 0.018 0.000 1.260 55 W CB -0.089 29.442 29.460 0.119 0.000 1.131 55 W HN 0.042 nan 8.180 nan 0.000 0.530 56 G N 0.229 108.879 108.800 -0.249 0.000 2.625 56 G HA2 -0.227 3.733 3.960 0.001 0.000 0.214 56 G HA3 -0.227 3.733 3.960 0.001 0.000 0.214 56 G C 1.303 175.994 174.900 -0.349 0.000 1.132 56 G CA 0.397 45.237 45.100 -0.433 0.000 0.782 56 G HN 0.414 nan 8.290 nan 0.000 0.538 57 Q N 0.139 119.759 119.800 -0.301 0.000 2.194 57 Q HA 0.088 4.429 4.340 0.001 0.000 0.214 57 Q C 0.609 176.489 176.000 -0.200 0.000 0.838 57 Q CA -0.161 55.514 55.803 -0.213 0.000 0.972 57 Q CB 0.831 29.471 28.738 -0.164 0.000 1.131 57 Q HN 0.472 nan 8.270 nan 0.000 0.498 58 T N -0.501 113.879 114.554 -0.290 0.000 2.856 58 T HA 0.151 4.501 4.350 0.001 0.000 0.306 58 T C 0.725 175.282 174.700 -0.239 0.000 1.062 58 T CA -0.484 61.449 62.100 -0.279 0.000 1.083 58 T CB 1.116 69.705 68.868 -0.466 0.000 0.984 58 T HN 0.146 nan 8.240 nan 0.000 0.542 59 T N -0.538 113.915 114.554 -0.168 0.000 2.899 59 T HA 0.296 4.646 4.350 0.001 0.000 0.295 59 T C -1.795 172.822 174.700 -0.139 0.000 1.033 59 T CA -1.666 60.358 62.100 -0.127 0.000 1.084 59 T CB 0.406 69.224 68.868 -0.085 0.000 0.979 59 T HN 0.306 nan 8.240 nan 0.000 0.532 60 P HA -0.141 nan 4.420 nan 0.000 0.217 60 P C 1.542 178.807 177.300 -0.058 0.000 1.151 60 P CA 1.200 64.254 63.100 -0.077 0.000 0.849 60 P CB 0.077 31.744 31.700 -0.055 0.000 0.787 61 K N -0.191 120.177 120.400 -0.053 0.000 2.032 61 K HA -0.135 4.186 4.320 0.001 0.000 0.209 61 K C 1.878 178.458 176.600 -0.033 0.000 1.048 61 K CA 1.489 57.754 56.287 -0.037 0.000 0.927 61 K CB -0.729 31.750 32.500 -0.034 0.000 0.712 61 K HN -0.109 nan 8.250 nan 0.000 0.441 62 V N 1.652 121.535 119.914 -0.052 0.000 2.287 62 V HA -0.269 3.852 4.120 0.001 0.000 0.248 62 V C 2.465 178.554 176.094 -0.008 0.000 1.053 62 V CA 2.033 64.310 62.300 -0.039 0.000 1.027 62 V CB -0.477 31.310 31.823 -0.060 0.000 0.646 62 V HN 0.385 nan 8.190 nan 0.000 0.447 63 R N -0.130 120.343 120.500 -0.046 0.000 2.075 63 R HA -0.096 4.244 4.340 0.001 0.000 0.232 63 R C 2.427 178.808 176.300 0.135 0.000 1.126 63 R CA 1.392 57.535 56.100 0.073 0.000 0.963 63 R CB -0.630 29.641 30.300 -0.048 0.000 0.858 63 R HN 0.534 nan 8.270 nan 0.000 0.435 64 A N 1.488 124.346 122.820 0.063 0.000 1.940 64 A HA -0.218 4.102 4.320 0.001 0.000 0.219 64 A C 1.882 179.498 177.584 0.053 0.000 1.176 64 A CA 1.535 53.612 52.037 0.067 0.000 0.631 64 A CB -0.328 18.686 19.000 0.023 0.000 0.814 64 A HN 0.341 nan 8.150 nan 0.000 0.446 65 E N -1.045 119.168 120.200 0.022 0.000 2.150 65 E HA -0.141 4.209 4.350 0.001 0.000 0.193 65 E C 1.998 178.571 176.600 -0.045 0.000 0.985 65 E CA 1.127 57.523 56.400 -0.006 0.000 0.814 65 E CB -0.322 29.368 29.700 -0.016 0.000 0.752 65 E HN 0.699 nan 8.360 nan 0.000 0.466 66 C N 0.538 119.799 119.300 -0.065 0.000 2.446 66 C HA -0.059 4.402 4.460 0.001 0.000 0.277 66 C C 2.537 177.405 174.990 -0.202 0.000 1.275 66 C CA 0.296 59.134 59.018 -0.299 0.000 1.727 66 C CB -0.837 26.570 27.740 -0.556 0.000 2.010 66 C HN 0.408 nan 8.230 nan 0.000 0.486 67 L N 0.420 121.686 121.223 0.072 0.000 2.042 67 L HA -0.195 4.146 4.340 0.001 0.000 0.210 67 L C 2.530 179.464 176.870 0.106 0.000 1.076 67 L CA 1.471 56.430 54.840 0.199 0.000 0.749 67 L CB -0.622 41.628 42.059 0.318 0.000 0.893 67 L HN 0.394 nan 8.230 nan 0.000 0.432 68 L N -0.631 120.633 121.223 0.068 0.000 2.083 68 L HA -0.195 4.146 4.340 0.001 0.000 0.209 68 L C 2.717 179.591 176.870 0.006 0.000 1.083 68 L CA 0.773 55.644 54.840 0.051 0.000 0.752 68 L CB -0.461 41.621 42.059 0.038 0.000 0.899 68 L HN 0.186 nan 8.230 nan 0.000 0.433 69 K N 0.608 120.984 120.400 -0.040 0.000 2.026 69 K HA -0.173 4.147 4.320 0.001 0.000 0.208 69 K C 1.992 178.546 176.600 -0.077 0.000 1.048 69 K CA 1.477 57.724 56.287 -0.067 0.000 0.929 69 K CB -0.642 31.786 32.500 -0.120 0.000 0.713 69 K HN 0.097 nan 8.250 nan 0.000 0.439 70 L N 0.660 121.811 121.223 -0.120 0.000 2.046 70 L HA -0.016 4.325 4.340 0.001 0.000 0.208 70 L C 2.043 178.772 176.870 -0.236 0.000 1.077 70 L CA 2.235 56.964 54.840 -0.184 0.000 0.747 70 L CB -1.088 40.825 42.059 -0.242 0.000 0.896 70 L HN 0.150 nan 8.230 nan 0.000 0.432 71 A N -0.764 121.960 122.820 -0.160 0.000 1.940 71 A HA -0.230 4.090 4.320 0.001 0.000 0.219 71 A C 2.019 179.619 177.584 0.027 0.000 1.176 71 A CA 1.942 53.976 52.037 -0.005 0.000 0.631 71 A CB -0.834 18.254 19.000 0.148 0.000 0.814 71 A HN 0.541 nan 8.150 nan 0.000 0.446 72 D N -0.430 119.980 120.400 0.017 0.000 2.117 72 D HA -0.082 4.559 4.640 0.001 0.000 0.198 72 D C 2.080 178.410 176.300 0.049 0.000 0.982 72 D CA 1.374 55.395 54.000 0.036 0.000 0.828 72 D CB -0.302 40.511 40.800 0.021 0.000 0.967 72 D HN 0.221 nan 8.370 nan 0.000 0.464 73 V N 1.132 121.068 119.914 0.035 0.000 2.427 73 V HA -0.184 3.936 4.120 0.001 0.000 0.248 73 V C 2.485 178.677 176.094 0.164 0.000 1.051 73 V CA 0.991 63.336 62.300 0.075 0.000 1.048 73 V CB -0.284 31.570 31.823 0.052 0.000 0.666 73 V HN 0.191 nan 8.190 nan 0.000 0.456 74 I N 0.009 120.660 120.570 0.136 0.000 2.252 74 I HA -0.239 3.932 4.170 0.001 0.000 0.245 74 I C 2.592 178.845 176.117 0.228 0.000 1.102 74 I CA 1.845 63.270 61.300 0.207 0.000 1.385 74 I CB -0.337 37.644 38.000 -0.031 0.000 1.064 74 I HN 0.404 nan 8.210 nan 0.000 0.414 75 E N 1.385 121.670 120.200 0.142 0.000 2.051 75 E HA -0.272 4.079 4.350 0.001 0.000 0.192 75 E C 2.001 178.692 176.600 0.153 0.000 0.991 75 E CA 1.449 57.926 56.400 0.129 0.000 0.799 75 E CB 0.016 29.771 29.700 0.092 0.000 0.748 75 E HN 0.428 nan 8.360 nan 0.000 0.449 76 E N -0.179 120.102 120.200 0.134 0.000 2.267 76 E HA -0.163 4.187 4.350 0.001 0.000 0.197 76 E C 0.557 177.241 176.600 0.140 0.000 0.998 76 E CA 1.106 57.577 56.400 0.119 0.000 0.830 76 E CB 0.005 29.758 29.700 0.088 0.000 0.751 76 E HN 0.237 nan 8.360 nan 0.000 0.491 77 N N -1.008 117.811 118.700 0.199 0.000 2.328 77 N HA 0.103 4.843 4.740 0.001 0.000 0.247 77 N C 0.858 176.550 175.510 0.305 0.000 1.165 77 N CA 0.043 53.200 53.050 0.178 0.000 0.873 77 N CB 1.197 39.724 38.487 0.067 0.000 1.125 77 N HN 0.090 nan 8.380 nan 0.000 0.513 78 G N 0.391 109.393 108.800 0.337 0.000 2.440 78 G HA2 -0.298 3.662 3.960 0.001 0.000 0.218 78 G HA3 -0.298 3.662 3.960 0.001 0.000 0.218 78 G C 1.548 176.754 174.900 0.509 0.000 1.154 78 G CA 0.738 46.083 45.100 0.409 0.000 0.767 78 G HN 0.205 nan 8.290 nan 0.000 0.552 79 Q N 0.212 120.273 119.800 0.435 0.000 2.050 79 Q HA -0.037 4.303 4.340 0.001 0.000 0.202 79 Q C 2.960 179.042 176.000 0.135 0.000 0.980 79 Q CA 1.080 57.015 55.803 0.219 0.000 0.840 79 Q CB -0.735 28.025 28.738 0.036 0.000 0.898 79 Q HN 0.345 nan 8.270 nan 0.000 0.424 80 V N 0.262 120.226 119.914 0.084 0.000 2.358 80 V HA -0.226 3.895 4.120 0.001 0.000 0.246 80 V C 2.065 178.167 176.094 0.013 0.000 1.047 80 V CA 1.558 63.849 62.300 -0.015 0.000 1.035 80 V CB -0.733 31.014 31.823 -0.127 0.000 0.658 80 V HN 0.178 nan 8.190 nan 0.000 0.452 81 F N 1.070 121.084 119.950 0.107 0.000 2.091 81 F HA -0.219 4.309 4.527 0.001 0.000 0.299 81 F C 2.473 178.346 175.800 0.122 0.000 1.103 81 F CA 1.653 59.719 58.000 0.110 0.000 1.228 81 F CB -1.121 37.952 39.000 0.121 0.000 0.984 81 F HN 0.101 nan 8.300 nan 0.000 0.477 82 A N -0.536 122.502 122.820 0.363 0.000 1.933 82 A HA -0.197 4.124 4.320 0.001 0.000 0.218 82 A C 2.139 179.831 177.584 0.179 0.000 1.175 82 A CA 1.762 53.972 52.037 0.289 0.000 0.628 82 A CB -0.786 18.455 19.000 0.402 0.000 0.814 82 A HN 0.439 nan 8.150 nan 0.000 0.444 83 E N -0.239 120.036 120.200 0.125 0.000 2.038 83 E HA -0.177 4.174 4.350 0.001 0.000 0.195 83 E C 1.981 178.620 176.600 0.064 0.000 1.000 83 E CA 1.340 57.778 56.400 0.062 0.000 0.803 83 E CB -0.289 29.423 29.700 0.020 0.000 0.750 83 E HN 0.625 nan 8.360 nan 0.000 0.448 84 L N 0.598 121.867 121.223 0.076 0.000 2.017 84 L HA -0.220 4.121 4.340 0.001 0.000 0.208 84 L C 2.570 179.499 176.870 0.099 0.000 1.073 84 L CA 1.167 56.052 54.840 0.074 0.000 0.745 84 L CB -0.267 41.841 42.059 0.082 0.000 0.894 84 L HN 0.106 nan 8.230 nan 0.000 0.432 85 E N -0.415 119.868 120.200 0.138 0.000 2.110 85 E HA -0.214 4.136 4.350 0.001 0.000 0.193 85 E C 2.354 179.001 176.600 0.079 0.000 0.988 85 E CA 1.453 57.927 56.400 0.123 0.000 0.804 85 E CB -0.067 29.721 29.700 0.146 0.000 0.745 85 E HN 0.241 nan 8.360 nan 0.000 0.458 86 S N -0.582 115.160 115.700 0.071 0.000 2.355 86 S HA -0.096 4.375 4.470 0.001 0.000 0.222 86 S C 1.963 176.581 174.600 0.029 0.000 1.031 86 S CA 0.991 59.215 58.200 0.040 0.000 0.993 86 S CB -0.107 63.117 63.200 0.039 0.000 0.859 86 S HN 0.206 nan 8.310 nan 0.000 0.453 87 R N 0.811 121.331 120.500 0.034 0.000 2.096 87 R HA -0.015 4.325 4.340 0.001 0.000 0.235 87 R C 2.113 178.432 176.300 0.032 0.000 1.127 87 R CA 1.406 57.521 56.100 0.025 0.000 0.968 87 R CB -0.514 29.798 30.300 0.021 0.000 0.861 87 R HN 0.388 nan 8.270 nan 0.000 0.440 88 N N -0.078 118.651 118.700 0.048 0.000 2.300 88 N HA -0.076 4.665 4.740 0.001 0.000 0.179 88 N C 0.997 176.545 175.510 0.063 0.000 1.016 88 N CA 0.983 54.072 53.050 0.065 0.000 0.876 88 N CB 0.151 38.688 38.487 0.084 0.000 0.979 88 N HN 0.161 nan 8.380 nan 0.000 0.432 89 C N -2.086 117.239 119.300 0.042 0.000 3.403 89 C HA 0.495 4.955 4.460 0.001 0.000 0.317 89 C C 1.408 176.387 174.990 -0.018 0.000 1.346 89 C CA -0.040 58.993 59.018 0.026 0.000 1.743 89 C CB -0.219 27.533 27.740 0.020 0.000 2.308 89 C HN 0.529 nan 8.230 nan 0.000 0.675 90 G N 1.757 110.542 108.800 -0.024 0.000 2.155 90 G HA2 -0.282 3.678 3.960 0.001 0.000 0.257 90 G HA3 -0.282 3.678 3.960 0.001 0.000 0.257 90 G C -0.010 174.856 174.900 -0.057 0.000 0.983 90 G CA 0.240 45.307 45.100 -0.054 0.000 0.676 90 G HN 0.609 nan 8.290 nan 0.000 0.528 91 K N 1.147 121.512 120.400 -0.058 0.000 2.448 91 K HA 0.324 4.645 4.320 0.001 0.000 0.278 91 K C -2.114 174.435 176.600 -0.086 0.000 1.009 91 K CA -1.174 55.056 56.287 -0.094 0.000 0.995 91 K CB 0.520 32.975 32.500 -0.076 0.000 0.917 91 K HN 0.081 nan 8.250 nan 0.000 0.481 92 P HA -0.097 nan 4.420 nan 0.000 0.265 92 P C 0.362 177.545 177.300 -0.195 0.000 1.193 92 P CA -0.146 62.848 63.100 -0.176 0.000 0.765 92 P CB 0.528 32.031 31.700 -0.328 0.000 0.823 93 L N 5.111 126.292 121.223 -0.070 0.000 2.012 93 L HA -0.230 4.110 4.340 0.001 0.000 0.210 93 L C 2.318 179.220 176.870 0.053 0.000 1.073 93 L CA 2.289 57.136 54.840 0.012 0.000 0.748 93 L CB -1.609 40.475 42.059 0.043 0.000 0.891 93 L HN 0.575 nan 8.230 nan 0.000 0.431 94 H N -2.789 116.356 119.070 0.125 0.000 2.352 94 H HA -0.052 4.505 4.556 0.001 0.000 0.299 94 H C 2.048 177.510 175.328 0.222 0.000 1.097 94 H CA 1.483 57.638 56.048 0.177 0.000 1.311 94 H CB -1.080 28.761 29.762 0.131 0.000 1.377 94 H HN 0.286 nan 8.280 nan 0.000 0.504 95 S N 0.607 116.085 115.700 -0.370 0.000 2.348 95 S HA -0.149 4.321 4.470 0.001 0.000 0.221 95 S C 2.543 177.225 174.600 0.137 0.000 1.033 95 S CA 1.120 59.305 58.200 -0.025 0.000 1.010 95 S CB -0.696 62.388 63.200 -0.193 0.000 0.891 95 S HN 0.735 nan 8.310 nan 0.000 0.442 96 A N 0.592 123.466 122.820 0.090 0.000 1.902 96 A HA -0.089 4.231 4.320 0.001 0.000 0.217 96 A C 1.944 179.667 177.584 0.231 0.000 1.181 96 A CA 1.543 53.679 52.037 0.166 0.000 0.623 96 A CB -0.749 18.334 19.000 0.137 0.000 0.818 96 A HN 0.516 nan 8.150 nan 0.000 0.443 97 F N 0.975 120.988 119.950 0.107 0.000 2.187 97 F HA -0.046 4.481 4.527 0.001 0.000 0.295 97 F C 1.936 177.815 175.800 0.132 0.000 1.091 97 F CA 1.695 59.768 58.000 0.122 0.000 1.308 97 F CB -0.097 38.972 39.000 0.115 0.000 1.030 97 F HN 0.182 nan 8.300 nan 0.000 0.487 98 N N 0.366 119.167 118.700 0.169 0.000 2.300 98 N HA -0.094 4.646 4.740 0.001 0.000 0.179 98 N C 1.056 176.601 175.510 0.058 0.000 1.016 98 N CA 1.396 54.487 53.050 0.069 0.000 0.876 98 N CB -0.281 38.337 38.487 0.218 0.000 0.979 98 N HN 0.373 nan 8.380 nan 0.000 0.432 99 D N 0.527 121.008 120.400 0.134 0.000 2.468 99 D HA 0.036 4.676 4.640 0.001 0.000 0.243 99 D C 1.690 178.053 176.300 0.104 0.000 0.994 99 D CA 0.583 54.671 54.000 0.147 0.000 0.932 99 D CB -0.160 40.805 40.800 0.276 0.000 1.078 99 D HN 0.236 nan 8.370 nan 0.000 0.473 100 E N 0.614 120.895 120.200 0.135 0.000 2.028 100 E HA -0.057 4.293 4.350 0.001 0.000 0.190 100 E C 2.226 178.858 176.600 0.053 0.000 0.984 100 E CA 0.344 56.811 56.400 0.112 0.000 0.800 100 E CB 0.168 29.973 29.700 0.175 0.000 0.758 100 E HN 0.109 nan 8.360 nan 0.000 0.448 101 I N 1.402 121.992 120.570 0.032 0.000 2.127 101 I HA -0.199 3.972 4.170 0.001 0.000 0.241 101 I C -0.604 175.502 176.117 -0.019 0.000 1.075 101 I CA 1.508 62.807 61.300 -0.002 0.000 1.334 101 I CB -2.374 35.599 38.000 -0.044 0.000 1.040 101 I HN 0.033 nan 8.210 nan 0.000 0.405 102 P HA -0.119 nan 4.420 nan 0.000 0.215 102 P C 1.651 178.964 177.300 0.020 0.000 1.153 102 P CA 2.031 65.116 63.100 -0.025 0.000 0.853 102 P CB -0.063 31.609 31.700 -0.046 0.000 0.788 103 A N -0.889 121.945 122.820 0.024 0.000 1.930 103 A HA -0.141 4.180 4.320 0.001 0.000 0.217 103 A C 2.213 179.839 177.584 0.071 0.000 1.175 103 A CA 1.273 53.333 52.037 0.039 0.000 0.627 103 A CB -1.522 17.496 19.000 0.029 0.000 0.815 103 A HN 0.127 nan 8.150 nan 0.000 0.443 104 I N -0.664 119.945 120.570 0.065 0.000 2.202 104 I HA -0.182 3.989 4.170 0.001 0.000 0.242 104 I C 2.323 178.548 176.117 0.180 0.000 1.091 104 I CA 0.916 62.268 61.300 0.087 0.000 1.368 104 I CB -0.364 37.664 38.000 0.048 0.000 1.058 104 I HN 0.129 nan 8.210 nan 0.000 0.410 105 V N 0.956 120.971 119.914 0.167 0.000 2.332 105 V HA -0.356 3.764 4.120 0.001 0.000 0.248 105 V C 2.184 178.417 176.094 0.231 0.000 1.055 105 V CA 2.449 64.880 62.300 0.219 0.000 1.038 105 V CB -0.667 31.230 31.823 0.124 0.000 0.651 105 V HN 0.472 nan 8.190 nan 0.000 0.450 106 D N -0.475 120.015 120.400 0.151 0.000 2.178 106 D HA -0.130 4.511 4.640 0.001 0.000 0.202 106 D C 1.980 178.377 176.300 0.162 0.000 0.974 106 D CA 0.993 55.073 54.000 0.132 0.000 0.841 106 D CB -0.003 40.839 40.800 0.070 0.000 0.953 106 D HN 0.226 nan 8.370 nan 0.000 0.478 107 V N -0.199 119.798 119.914 0.139 0.000 2.343 107 V HA -0.213 3.908 4.120 0.001 0.000 0.247 107 V C 2.040 178.277 176.094 0.238 0.000 1.051 107 V CA 1.458 63.837 62.300 0.132 0.000 1.036 107 V CB -0.608 31.238 31.823 0.037 0.000 0.654 107 V HN 0.246 nan 8.190 nan 0.000 0.451 108 F N 0.039 120.151 119.950 0.270 0.000 2.113 108 F HA -0.115 4.412 4.527 0.001 0.000 0.297 108 F C 2.667 178.595 175.800 0.214 0.000 1.103 108 F CA 1.518 59.669 58.000 0.250 0.000 1.248 108 F CB -0.307 38.795 39.000 0.170 0.000 0.999 108 F HN -0.049 nan 8.300 nan 0.000 0.475 109 R N -0.570 120.134 120.500 0.340 0.000 2.091 109 R HA -0.206 4.134 4.340 0.001 0.000 0.238 109 R C 2.177 178.574 176.300 0.162 0.000 1.136 109 R CA 1.851 58.077 56.100 0.210 0.000 0.959 109 R CB -0.854 29.543 30.300 0.162 0.000 0.856 109 R HN 0.268 nan 8.270 nan 0.000 0.437 110 F N 0.628 120.593 119.950 0.025 0.000 2.095 110 F HA -0.215 4.313 4.527 0.001 0.000 0.298 110 F C 1.767 177.490 175.800 -0.129 0.000 1.104 110 F CA 1.541 59.474 58.000 -0.112 0.000 1.232 110 F CB -0.364 38.480 39.000 -0.259 0.000 0.987 110 F HN -0.113 nan 8.300 nan 0.000 0.475 111 F N 0.056 120.000 119.950 -0.008 0.000 2.259 111 F HA -0.043 4.485 4.527 0.001 0.000 0.298 111 F C 2.523 178.263 175.800 -0.101 0.000 1.088 111 F CA 0.797 58.733 58.000 -0.107 0.000 1.358 111 F CB -0.869 38.168 39.000 0.062 0.000 1.040 111 F HN 0.098 nan 8.300 nan 0.000 0.505 112 A N 0.446 123.362 122.820 0.159 0.000 1.873 112 A HA -0.205 4.115 4.320 0.001 0.000 0.218 112 A C 2.513 180.080 177.584 -0.028 0.000 1.193 112 A CA 2.153 54.246 52.037 0.094 0.000 0.629 112 A CB -1.630 17.437 19.000 0.112 0.000 0.826 112 A HN 0.411 nan 8.150 nan 0.000 0.447 113 G N -0.979 107.744 108.800 -0.129 0.000 2.402 113 G HA2 0.063 4.024 3.960 0.001 0.000 0.216 113 G HA3 0.063 4.024 3.960 0.001 0.000 0.216 113 G C 1.734 176.469 174.900 -0.276 0.000 1.162 113 G CA 1.364 46.351 45.100 -0.189 0.000 0.777 113 G HN 0.910 nan 8.290 nan 0.000 0.539 114 A N 1.122 123.638 122.820 -0.505 0.000 2.076 114 A HA 0.256 4.576 4.320 0.001 0.000 0.220 114 A C 2.702 180.189 177.584 -0.162 0.000 1.160 114 A CA 2.008 53.776 52.037 -0.448 0.000 0.653 114 A CB -0.577 17.980 19.000 -0.738 0.000 0.801 114 A HN 0.793 nan 8.150 nan 0.000 0.455 115 A N -0.179 122.597 122.820 -0.073 0.000 2.070 115 A HA -0.126 4.195 4.320 0.001 0.000 0.220 115 A C 2.053 179.617 177.584 -0.034 0.000 1.159 115 A CA 1.346 53.380 52.037 -0.005 0.000 0.656 115 A CB -0.303 18.716 19.000 0.031 0.000 0.800 115 A HN 0.592 nan 8.150 nan 0.000 0.453 116 R N -1.952 118.511 120.500 -0.061 0.000 2.397 116 R HA 0.183 4.524 4.340 0.001 0.000 0.241 116 R C -0.053 176.212 176.300 -0.059 0.000 0.914 116 R CA 0.240 56.308 56.100 -0.054 0.000 1.071 116 R CB 0.054 30.324 30.300 -0.051 0.000 1.116 116 R HN 0.442 nan 8.270 nan 0.000 0.524 117 C N 1.294 120.549 119.300 -0.075 0.000 2.849 117 C HA 0.362 4.823 4.460 0.001 0.000 0.271 117 C C 0.408 175.362 174.990 -0.061 0.000 1.519 117 C CA -0.812 58.161 59.018 -0.074 0.000 1.783 117 C CB -0.810 26.868 27.740 -0.102 0.000 2.869 117 C HN 0.328 nan 8.230 nan 0.000 0.527 118 L N 2.609 123.807 121.223 -0.042 0.000 2.418 118 L HA 0.142 4.482 4.340 0.001 0.000 0.274 118 L C 0.552 177.409 176.870 -0.023 0.000 1.135 118 L CA 0.557 55.380 54.840 -0.029 0.000 0.870 118 L CB 0.080 42.133 42.059 -0.010 0.000 1.154 118 L HN 0.481 nan 8.230 nan 0.000 0.462 119 N N 1.770 120.454 118.700 -0.027 0.000 2.444 119 N HA 0.343 5.083 4.740 0.001 0.000 0.255 119 N C 0.050 175.558 175.510 -0.003 0.000 1.255 119 N CA 0.347 53.387 53.050 -0.015 0.000 0.933 119 N CB 1.649 40.124 38.487 -0.020 0.000 1.143 119 N HN 0.753 nan 8.380 nan 0.000 0.453 120 G N 0.019 108.822 108.800 0.004 0.000 2.870 120 G HA2 0.530 4.490 3.960 0.001 0.000 0.299 120 G HA3 0.530 4.490 3.960 0.001 0.000 0.299 120 G C -1.133 173.773 174.900 0.010 0.000 1.324 120 G CA -0.570 44.535 45.100 0.008 0.000 0.808 120 G HN 0.367 nan 8.290 nan 0.000 0.535 121 L N 0.769 121.996 121.223 0.008 0.000 2.343 121 L HA 0.608 4.948 4.340 0.001 0.000 0.275 121 L C 1.037 177.948 176.870 0.067 0.000 1.056 121 L CA -0.940 53.910 54.840 0.017 0.000 0.804 121 L CB 1.671 43.701 42.059 -0.047 0.000 1.203 121 L HN 0.674 nan 8.230 nan 0.000 0.440 122 A N 2.218 125.103 122.820 0.108 0.000 2.561 122 A HA 0.383 4.703 4.320 0.001 0.000 0.251 122 A C 0.514 178.223 177.584 0.209 0.000 1.062 122 A CA -0.044 52.074 52.037 0.134 0.000 0.761 122 A CB -0.091 18.984 19.000 0.125 0.000 0.986 122 A HN 0.787 nan 8.150 nan 0.000 0.510 123 A N 2.592 125.502 122.820 0.150 0.000 2.462 123 A HA 0.649 4.969 4.320 0.001 0.000 0.243 123 A C 0.970 178.638 177.584 0.140 0.000 1.076 123 A CA 0.691 52.834 52.037 0.177 0.000 0.773 123 A CB 0.031 19.098 19.000 0.112 0.000 1.010 123 A HN 2.575 nan 8.150 nan 0.000 0.493 124 G N 0.768 109.662 108.800 0.157 0.000 2.344 124 G HA2 0.432 4.393 3.960 0.001 0.000 0.282 124 G HA3 0.432 4.393 3.960 0.001 0.000 0.282 124 G C -1.690 173.171 174.900 -0.065 0.000 1.281 124 G CA -0.818 44.270 45.100 -0.020 0.000 0.877 124 G HN 0.593 nan 8.290 nan 0.000 0.494 125 E N 0.611 120.707 120.200 -0.175 0.000 1.986 125 E HA 0.476 4.826 4.350 0.001 0.000 0.264 125 E C -0.348 176.146 176.600 -0.177 0.000 1.023 125 E CA -0.438 55.908 56.400 -0.091 0.000 0.834 125 E CB 0.531 30.193 29.700 -0.062 0.000 1.111 125 E HN 0.457 nan 8.360 nan 0.000 0.417 126 Y N 1.372 121.687 120.300 0.025 0.000 2.544 126 Y HA 0.154 4.705 4.550 0.001 0.000 0.286 126 Y C 0.388 176.285 175.900 -0.005 0.000 1.141 126 Y CA -0.103 58.000 58.100 0.004 0.000 1.299 126 Y CB 0.529 38.983 38.460 -0.009 0.000 1.030 126 Y HN 0.308 nan 8.280 nan 0.000 0.543 127 L N 0.296 121.593 121.223 0.123 0.000 2.438 127 L HA 0.432 4.772 4.340 0.001 0.000 0.270 127 L C -0.784 176.136 176.870 0.084 0.000 0.972 127 L CA -1.253 53.622 54.840 0.058 0.000 0.831 127 L CB 1.496 43.532 42.059 -0.038 0.000 1.273 127 L HN -0.125 nan 8.230 nan 0.000 0.405 128 E N 3.526 123.763 120.200 0.063 0.000 2.608 128 E HA 0.384 4.734 4.350 0.001 0.000 0.259 128 E C 1.069 177.690 176.600 0.035 0.000 0.951 128 E CA 1.725 58.143 56.400 0.030 0.000 0.945 128 E CB 0.212 29.927 29.700 0.024 0.000 0.916 128 E HN 0.958 nan 8.360 nan 0.000 0.477 129 G N 2.832 111.523 108.800 -0.181 0.000 2.153 129 G HA2 -0.293 3.667 3.960 0.001 0.000 0.252 129 G HA3 -0.293 3.667 3.960 0.001 0.000 0.252 129 G C -0.556 173.803 174.900 -0.902 0.000 0.994 129 G CA 0.236 45.034 45.100 -0.503 0.000 0.698 129 G HN 0.644 nan 8.290 nan 0.000 0.521 130 H N -0.643 118.108 119.070 -0.533 0.000 2.782 130 H HA 0.578 5.134 4.556 0.001 0.000 0.347 130 H C -0.341 174.896 175.328 -0.151 0.000 1.038 130 H CA -0.214 55.660 56.048 -0.290 0.000 1.255 130 H CB 1.708 31.416 29.762 -0.091 0.000 1.623 130 H HN 0.110 nan 8.280 nan 0.000 0.525 131 T N 2.716 117.343 114.554 0.122 0.000 2.744 131 T HA 0.331 4.681 4.350 0.001 0.000 0.291 131 T C 0.033 174.858 174.700 0.209 0.000 0.957 131 T CA -0.445 61.777 62.100 0.203 0.000 1.002 131 T CB 0.430 69.456 68.868 0.263 0.000 0.919 131 T HN 0.460 nan 8.240 nan 0.000 0.468 132 S N 4.369 120.235 115.700 0.277 0.000 2.489 132 S HA 0.670 5.141 4.470 0.001 0.000 0.291 132 S C 0.075 174.839 174.600 0.273 0.000 1.151 132 S CA -0.909 57.489 58.200 0.330 0.000 1.082 132 S CB 0.605 64.088 63.200 0.471 0.000 1.019 132 S HN 0.752 nan 8.310 nan 0.000 0.492 133 M N 2.003 121.735 119.600 0.221 0.000 2.644 133 M HA 0.688 5.169 4.480 0.001 0.000 0.304 133 M C -1.616 174.776 176.300 0.152 0.000 1.215 133 M CA -0.948 54.448 55.300 0.160 0.000 0.871 133 M CB 1.274 33.938 32.600 0.107 0.000 1.740 133 M HN 0.223 nan 8.290 nan 0.000 0.464 134 I N 2.641 123.267 120.570 0.092 0.000 2.378 134 I HA 0.513 4.683 4.170 0.001 0.000 0.291 134 I C -0.241 175.905 176.117 0.048 0.000 0.992 134 I CA -0.434 60.904 61.300 0.064 0.000 1.154 134 I CB 1.717 39.727 38.000 0.018 0.000 1.315 134 I HN 0.869 nan 8.210 nan 0.000 0.448 135 R N 5.893 126.420 120.500 0.045 0.000 2.797 135 R HA 0.736 5.077 4.340 0.001 0.000 0.251 135 R C -0.411 175.907 176.300 0.030 0.000 1.107 135 R CA -1.034 55.085 56.100 0.032 0.000 1.084 135 R CB 1.645 31.962 30.300 0.028 0.000 1.205 135 R HN 0.383 nan 8.270 nan 0.000 0.515 136 R N 0.997 121.513 120.500 0.027 0.000 2.545 136 R HA 0.255 4.596 4.340 0.001 0.000 0.289 136 R C -1.347 174.976 176.300 0.038 0.000 1.327 136 R CA -0.464 55.656 56.100 0.033 0.000 1.040 136 R CB 1.227 31.546 30.300 0.031 0.000 1.176 136 R HN 0.606 nan 8.270 nan 0.000 0.518 137 D N 3.044 123.474 120.400 0.050 0.000 2.268 137 D HA 0.364 5.004 4.640 0.001 0.000 0.249 137 D C -2.176 174.189 176.300 0.107 0.000 1.008 137 D CA -1.561 52.478 54.000 0.066 0.000 0.939 137 D CB 2.094 42.933 40.800 0.065 0.000 1.170 137 D HN 0.109 nan 8.370 nan 0.000 0.468 138 P HA 0.151 nan 4.420 nan 0.000 0.274 138 P C 0.712 178.140 177.300 0.215 0.000 1.246 138 P CA -0.293 62.940 63.100 0.221 0.000 0.795 138 P CB 1.208 33.125 31.700 0.362 0.000 1.006 139 L N -0.383 120.898 121.223 0.097 0.000 2.249 139 L HA 0.211 4.551 4.340 0.001 0.000 0.207 139 L C 1.693 178.422 176.870 -0.234 0.000 1.090 139 L CA 1.395 56.231 54.840 -0.005 0.000 0.802 139 L CB -0.762 41.292 42.059 -0.007 0.000 0.947 139 L HN 0.742 nan 8.230 nan 0.000 0.453 140 G N -0.555 107.844 108.800 -0.668 0.000 2.541 140 G HA2 -0.193 3.768 3.960 0.001 0.000 0.208 140 G HA3 -0.193 3.768 3.960 0.001 0.000 0.208 140 G C -0.679 173.813 174.900 -0.681 0.000 1.191 140 G CA -0.387 43.838 45.100 -1.459 0.000 1.217 140 G HN -0.173 nan 8.290 nan 0.000 0.566 141 V N 1.543 121.223 119.914 -0.389 0.000 2.432 141 V HA 0.529 4.650 4.120 0.001 0.000 0.271 141 V C 0.581 176.618 176.094 -0.096 0.000 1.046 141 V CA -0.437 61.746 62.300 -0.194 0.000 0.945 141 V CB 1.101 32.840 31.823 -0.141 0.000 0.992 141 V HN 0.731 nan 8.190 nan 0.000 0.471 142 V N 4.688 124.572 119.914 -0.051 0.000 2.394 142 V HA 0.622 4.742 4.120 0.001 0.000 0.282 142 V C 0.579 176.676 176.094 0.006 0.000 1.031 142 V CA -0.531 61.779 62.300 0.017 0.000 0.881 142 V CB 1.565 33.439 31.823 0.086 0.000 0.982 142 V HN 0.960 nan 8.190 nan 0.000 0.451 143 A N 4.265 127.102 122.820 0.028 0.000 2.269 143 A HA 0.683 5.003 4.320 0.001 0.000 0.302 143 A C 0.294 177.913 177.584 0.058 0.000 1.266 143 A CA -0.302 51.753 52.037 0.031 0.000 0.894 143 A CB 0.234 19.260 19.000 0.042 0.000 1.147 143 A HN 0.794 nan 8.150 nan 0.000 0.537 144 S N 3.032 118.758 115.700 0.045 0.000 2.449 144 S HA 0.623 5.094 4.470 0.001 0.000 0.310 144 S C -0.390 174.241 174.600 0.052 0.000 1.096 144 S CA -0.578 57.660 58.200 0.063 0.000 1.095 144 S CB 1.071 64.297 63.200 0.044 0.000 1.007 144 S HN 0.509 nan 8.310 nan 0.000 0.474 145 I N 2.591 123.199 120.570 0.063 0.000 2.354 145 I HA 0.511 4.681 4.170 0.001 0.000 0.286 145 I C 0.271 176.411 176.117 0.039 0.000 1.007 145 I CA -0.745 60.582 61.300 0.045 0.000 1.167 145 I CB 0.512 38.536 38.000 0.040 0.000 1.320 145 I HN 0.712 nan 8.210 nan 0.000 0.458 146 A N 9.655 132.493 122.820 0.030 0.000 2.312 146 A HA 0.915 5.236 4.320 0.001 0.000 0.328 146 A C -2.438 175.138 177.584 -0.014 0.000 1.158 146 A CA -1.265 50.781 52.037 0.015 0.000 0.821 146 A CB 0.904 19.921 19.000 0.029 0.000 1.170 146 A HN 0.486 nan 8.150 nan 0.000 0.490 147 P HA 0.208 nan 4.420 nan 0.000 0.281 147 P C 0.435 177.674 177.300 -0.100 0.000 1.281 147 P CA -0.547 62.432 63.100 -0.202 0.000 0.811 147 P CB 0.586 32.073 31.700 -0.354 0.000 1.154 148 W N 0.960 122.267 121.300 0.012 0.000 3.003 148 W HA -0.001 4.659 4.660 0.001 0.000 0.257 148 W C 1.041 177.545 176.519 -0.026 0.000 1.308 148 W CA 0.306 57.654 57.345 0.004 0.000 1.529 148 W CB -1.447 28.010 29.460 -0.005 0.000 1.115 148 W HN 0.262 nan 8.180 nan 0.000 0.659 149 N N 1.975 120.616 118.700 -0.100 0.000 2.135 149 N HA -0.211 4.530 4.740 0.001 0.000 0.186 149 N C -0.291 174.995 175.510 -0.372 0.000 1.027 149 N CA 1.069 54.057 53.050 -0.102 0.000 0.849 149 N CB -1.206 37.160 38.487 -0.202 0.000 1.002 149 N HN 0.183 nan 8.380 nan 0.000 0.425 150 Y N 0.140 120.399 120.300 -0.068 0.000 2.748 150 Y HA 0.445 4.995 4.550 0.001 0.000 0.359 150 Y C -1.774 174.063 175.900 -0.104 0.000 1.030 150 Y CA -2.087 55.954 58.100 -0.099 0.000 1.169 150 Y CB 2.058 40.379 38.460 -0.231 0.000 1.127 150 Y HN 0.024 nan 8.280 nan 0.000 0.644 151 P HA -0.227 nan 4.420 nan 0.000 0.211 151 P C 1.888 179.210 177.300 0.038 0.000 1.179 151 P CA 1.349 64.489 63.100 0.066 0.000 0.910 151 P CB 0.586 32.352 31.700 0.109 0.000 0.785 152 L N -1.481 119.768 121.223 0.044 0.000 1.994 152 L HA -0.171 4.170 4.340 0.001 0.000 0.208 152 L C 2.496 179.334 176.870 -0.054 0.000 1.071 152 L CA 1.749 56.589 54.840 0.001 0.000 0.745 152 L CB -0.600 41.443 42.059 -0.027 0.000 0.892 152 L HN -0.007 nan 8.230 nan 0.000 0.431 153 M N -1.226 118.320 119.600 -0.089 0.000 2.149 153 M HA -0.289 4.192 4.480 0.001 0.000 0.261 153 M C 2.076 178.102 176.300 -0.455 0.000 1.064 153 M CA 1.745 56.886 55.300 -0.263 0.000 1.102 153 M CB 0.068 32.455 32.600 -0.355 0.000 1.369 153 M HN 0.244 nan 8.290 nan 0.000 0.408 154 M N -0.418 118.982 119.600 -0.335 0.000 2.349 154 M HA 0.034 4.515 4.480 0.001 0.000 0.266 154 M C 2.323 178.581 176.300 -0.070 0.000 1.076 154 M CA 1.329 56.459 55.300 -0.284 0.000 1.126 154 M CB -1.516 30.982 32.600 -0.169 0.000 1.392 154 M HN 0.415 nan 8.290 nan 0.000 0.440 155 A N 0.100 122.897 122.820 -0.038 0.000 1.898 155 A HA 0.041 4.361 4.320 0.001 0.000 0.216 155 A C 2.400 180.003 177.584 0.032 0.000 1.181 155 A CA 1.894 53.944 52.037 0.022 0.000 0.620 155 A CB -0.845 18.184 19.000 0.049 0.000 0.819 155 A HN 0.432 nan 8.150 nan 0.000 0.442 156 A N -1.347 121.471 122.820 -0.004 0.000 1.902 156 A HA -0.144 4.177 4.320 0.001 0.000 0.217 156 A C 1.905 179.425 177.584 -0.107 0.000 1.181 156 A CA 1.508 53.441 52.037 -0.175 0.000 0.623 156 A CB -0.826 17.987 19.000 -0.311 0.000 0.818 156 A HN 0.709 nan 8.150 nan 0.000 0.443 157 W N 0.116 121.304 121.300 -0.187 0.000 2.374 157 W HA -0.017 4.644 4.660 0.001 0.000 0.288 157 W C 2.145 178.576 176.519 -0.147 0.000 1.218 157 W CA 1.351 58.621 57.345 -0.123 0.000 1.245 157 W CB -0.427 29.013 29.460 -0.033 0.000 1.126 157 W HN 0.315 nan 8.180 nan 0.000 0.545 158 K N -0.619 119.838 120.400 0.096 0.000 2.128 158 K HA 0.017 4.338 4.320 0.001 0.000 0.202 158 K C 2.122 178.607 176.600 -0.192 0.000 1.050 158 K CA 0.674 56.955 56.287 -0.011 0.000 0.966 158 K CB -0.551 31.985 32.500 0.059 0.000 0.759 158 K HN -0.011 nan 8.250 nan 0.000 0.454 159 L N 0.480 121.629 121.223 -0.122 0.000 1.994 159 L HA -0.186 4.155 4.340 0.001 0.000 0.208 159 L C 2.491 179.257 176.870 -0.173 0.000 1.071 159 L CA 1.395 56.168 54.840 -0.111 0.000 0.745 159 L CB -0.546 41.561 42.059 0.080 0.000 0.892 159 L HN 0.220 nan 8.230 nan 0.000 0.431 160 A N 0.579 123.269 122.820 -0.217 0.000 1.873 160 A HA -0.159 4.162 4.320 0.001 0.000 0.218 160 A C -0.008 177.207 177.584 -0.615 0.000 1.193 160 A CA 2.189 54.063 52.037 -0.270 0.000 0.629 160 A CB -1.996 16.747 19.000 -0.428 0.000 0.826 160 A HN 0.329 nan 8.150 nan 0.000 0.447 161 P HA -0.088 nan 4.420 nan 0.000 0.216 161 P C 1.626 178.499 177.300 -0.712 0.000 1.153 161 P CA 1.905 64.389 63.100 -1.027 0.000 0.844 161 P CB -0.195 30.965 31.700 -0.900 0.000 0.787 162 A N 0.361 122.589 122.820 -0.988 0.000 1.883 162 A HA -0.149 4.172 4.320 0.001 0.000 0.217 162 A C 2.479 179.947 177.584 -0.193 0.000 1.186 162 A CA 1.564 53.135 52.037 -0.776 0.000 0.624 162 A CB -1.650 16.931 19.000 -0.698 0.000 0.822 162 A HN 0.121 nan 8.150 nan 0.000 0.444 163 L N -0.883 120.281 121.223 -0.099 0.000 2.027 163 L HA -0.161 4.179 4.340 0.001 0.000 0.206 163 L C 3.096 180.137 176.870 0.285 0.000 1.074 163 L CA 1.056 56.017 54.840 0.201 0.000 0.745 163 L CB -0.606 41.533 42.059 0.133 0.000 0.898 163 L HN 0.416 nan 8.230 nan 0.000 0.433 164 A N 0.078 122.976 122.820 0.130 0.000 1.978 164 A HA -0.173 4.147 4.320 0.001 0.000 0.220 164 A C 2.369 179.999 177.584 0.077 0.000 1.170 164 A CA 1.769 53.880 52.037 0.123 0.000 0.636 164 A CB -0.625 18.448 19.000 0.123 0.000 0.810 164 A HN 0.426 nan 8.150 nan 0.000 0.448 165 A N -2.092 120.765 122.820 0.061 0.000 2.208 165 A HA 0.403 4.723 4.320 0.001 0.000 0.209 165 A C 1.791 179.427 177.584 0.086 0.000 1.161 165 A CA 1.253 53.339 52.037 0.082 0.000 0.782 165 A CB -0.768 18.308 19.000 0.127 0.000 0.816 165 A HN 1.905 nan 8.150 nan 0.000 0.477 166 G N -0.771 108.092 108.800 0.104 0.000 2.131 166 G HA2 -0.228 3.733 3.960 0.001 0.000 0.223 166 G HA3 -0.228 3.733 3.960 0.001 0.000 0.223 166 G C -0.206 174.926 174.900 0.385 0.000 0.990 166 G CA 0.101 45.219 45.100 0.031 0.000 0.671 166 G HN 0.638 nan 8.290 nan 0.000 0.521 167 N N -0.610 118.344 118.700 0.423 0.000 2.495 167 N HA 0.614 5.354 4.740 0.001 0.000 0.280 167 N C 0.398 176.135 175.510 0.379 0.000 1.168 167 N CA -0.047 53.213 53.050 0.350 0.000 0.978 167 N CB 1.044 39.596 38.487 0.109 0.000 1.191 167 N HN 0.253 nan 8.380 nan 0.000 0.497 168 C N 0.758 120.163 119.300 0.176 0.000 2.398 168 C HA 0.638 5.099 4.460 0.001 0.000 0.364 168 C C 0.189 175.120 174.990 -0.099 0.000 1.219 168 C CA -0.685 58.307 59.018 -0.042 0.000 2.312 168 C CB 0.180 27.911 27.740 -0.015 0.000 2.428 168 C HN 0.357 nan 8.230 nan 0.000 0.564 169 V N 2.161 121.979 119.914 -0.159 0.000 2.789 169 V HA 0.581 4.702 4.120 0.001 0.000 0.311 169 V C -0.634 175.390 176.094 -0.116 0.000 1.073 169 V CA -0.461 61.759 62.300 -0.133 0.000 0.921 169 V CB 1.839 33.564 31.823 -0.164 0.000 1.009 169 V HN 0.664 nan 8.190 nan 0.000 0.426 170 V N 5.132 125.000 119.914 -0.077 0.000 2.349 170 V HA 0.449 4.570 4.120 0.001 0.000 0.284 170 V C -0.528 175.550 176.094 -0.027 0.000 1.014 170 V CA -0.423 61.843 62.300 -0.055 0.000 0.826 170 V CB 1.464 33.254 31.823 -0.054 0.000 1.009 170 V HN 0.702 nan 8.190 nan 0.000 0.431 171 L N 4.924 126.135 121.223 -0.020 0.000 2.275 171 L HA 0.572 4.912 4.340 0.001 0.000 0.288 171 L C -0.075 176.810 176.870 0.025 0.000 1.046 171 L CA 0.127 54.970 54.840 0.005 0.000 0.805 171 L CB 1.052 43.114 42.059 0.004 0.000 1.193 171 L HN 0.581 nan 8.230 nan 0.000 0.426 172 K N 6.962 127.380 120.400 0.030 0.000 2.316 172 K HA 0.519 4.839 4.320 0.001 0.000 0.267 172 K C -2.529 174.099 176.600 0.047 0.000 1.025 172 K CA -1.894 54.414 56.287 0.035 0.000 0.896 172 K CB 1.235 33.743 32.500 0.012 0.000 1.124 172 K HN 0.415 nan 8.250 nan 0.000 0.451 173 P HA -0.035 nan 4.420 nan 0.000 0.273 173 P C -0.685 176.669 177.300 0.089 0.000 1.250 173 P CA -0.399 62.762 63.100 0.102 0.000 0.793 173 P CB 0.688 32.487 31.700 0.165 0.000 1.011 174 S N 0.925 116.697 115.700 0.121 0.000 2.549 174 S HA -0.020 4.451 4.470 0.001 0.000 0.283 174 S C 1.413 176.105 174.600 0.153 0.000 1.320 174 S CA -0.334 57.953 58.200 0.144 0.000 1.058 174 S CB -0.075 63.278 63.200 0.256 0.000 0.882 174 S HN 0.530 nan 8.310 nan 0.000 0.498 175 E N 4.812 125.041 120.200 0.047 0.000 2.401 175 E HA -0.150 4.200 4.350 0.001 0.000 0.199 175 E C 1.280 178.040 176.600 0.266 0.000 1.023 175 E CA 0.874 57.283 56.400 0.015 0.000 0.859 175 E CB -0.178 29.407 29.700 -0.191 0.000 0.780 175 E HN 0.725 nan 8.360 nan 0.000 0.523 176 I N 1.836 122.531 120.570 0.209 0.000 2.480 176 I HA -0.067 4.103 4.170 0.001 0.000 0.251 176 I C 1.250 177.493 176.117 0.210 0.000 1.124 176 I CA 1.416 62.820 61.300 0.175 0.000 1.444 176 I CB -0.750 37.285 38.000 0.058 0.000 1.098 176 I HN 0.120 nan 8.210 nan 0.000 0.428 177 T N -0.935 113.764 114.554 0.241 0.000 3.542 177 T HA 0.353 4.703 4.350 0.001 0.000 0.276 177 T C -1.922 172.907 174.700 0.216 0.000 1.412 177 T CA -1.105 61.121 62.100 0.210 0.000 1.664 177 T CB 1.290 70.288 68.868 0.216 0.000 0.863 177 T HN 0.049 nan 8.240 nan 0.000 0.661 178 P HA 0.275 nan 4.420 nan 0.000 0.257 178 P C 1.458 178.840 177.300 0.137 0.000 1.241 178 P CA -0.241 62.996 63.100 0.230 0.000 0.816 178 P CB 0.367 32.252 31.700 0.308 0.000 1.150 179 L N 0.536 121.823 121.223 0.107 0.000 2.017 179 L HA -0.123 4.218 4.340 0.001 0.000 0.208 179 L C 2.704 179.647 176.870 0.122 0.000 1.073 179 L CA 2.500 57.386 54.840 0.076 0.000 0.745 179 L CB -1.758 40.336 42.059 0.057 0.000 0.894 179 L HN 0.104 nan 8.230 nan 0.000 0.432 180 T N -2.619 112.045 114.554 0.183 0.000 2.904 180 T HA -0.030 4.320 4.350 0.001 0.000 0.267 180 T C 1.980 176.861 174.700 0.302 0.000 1.059 180 T CA 0.763 63.047 62.100 0.307 0.000 1.137 180 T CB -0.316 68.759 68.868 0.345 0.000 0.879 180 T HN 0.292 nan 8.240 nan 0.000 0.467 181 A N 1.997 124.936 122.820 0.199 0.000 1.908 181 A HA 0.105 4.425 4.320 0.001 0.000 0.218 181 A C 2.381 180.056 177.584 0.152 0.000 1.181 181 A CA 1.500 53.637 52.037 0.167 0.000 0.627 181 A CB -0.891 18.197 19.000 0.147 0.000 0.818 181 A HN 0.563 nan 8.150 nan 0.000 0.445 182 L N -1.343 119.953 121.223 0.123 0.000 2.341 182 L HA -0.040 4.300 4.340 0.001 0.000 0.214 182 L C 2.412 179.312 176.870 0.050 0.000 1.115 182 L CA 1.267 56.148 54.840 0.069 0.000 0.820 182 L CB -0.296 41.778 42.059 0.025 0.000 0.944 182 L HN 0.305 nan 8.230 nan 0.000 0.452 183 K N 1.181 121.625 120.400 0.074 0.000 2.057 183 K HA -0.188 4.133 4.320 0.001 0.000 0.206 183 K C 1.992 178.662 176.600 0.117 0.000 1.050 183 K CA 1.332 57.624 56.287 0.009 0.000 0.935 183 K CB -0.410 32.003 32.500 -0.145 0.000 0.715 183 K HN 0.049 nan 8.250 nan 0.000 0.439 184 L N 0.640 122.071 121.223 0.347 0.000 2.043 184 L HA -0.117 4.223 4.340 0.001 0.000 0.212 184 L C 2.108 179.077 176.870 0.166 0.000 1.075 184 L CA 2.265 57.321 54.840 0.361 0.000 0.752 184 L CB -1.076 41.150 42.059 0.280 0.000 0.891 184 L HN 0.264 nan 8.230 nan 0.000 0.432 185 A N -0.832 122.053 122.820 0.108 0.000 1.892 185 A HA -0.309 4.011 4.320 0.001 0.000 0.218 185 A C 2.346 179.950 177.584 0.034 0.000 1.188 185 A CA 2.077 54.146 52.037 0.054 0.000 0.631 185 A CB -0.860 18.163 19.000 0.039 0.000 0.822 185 A HN 0.648 nan 8.150 nan 0.000 0.447 186 E N -0.193 120.018 120.200 0.019 0.000 2.017 186 E HA -0.175 4.176 4.350 0.001 0.000 0.193 186 E C 2.034 178.640 176.600 0.012 0.000 0.997 186 E CA 1.342 57.738 56.400 -0.007 0.000 0.804 186 E CB -0.244 29.432 29.700 -0.040 0.000 0.757 186 E HN 0.618 nan 8.360 nan 0.000 0.448 187 L N 0.140 121.383 121.223 0.034 0.000 2.131 187 L HA -0.118 4.222 4.340 0.001 0.000 0.210 187 L C 2.441 179.348 176.870 0.062 0.000 1.092 187 L CA 1.021 55.890 54.840 0.050 0.000 0.759 187 L CB -0.267 41.849 42.059 0.094 0.000 0.903 187 L HN 0.195 nan 8.230 nan 0.000 0.435 188 A N -0.802 122.064 122.820 0.077 0.000 2.238 188 A HA -0.070 4.251 4.320 0.001 0.000 0.210 188 A C 2.204 179.838 177.584 0.083 0.000 1.179 188 A CA 0.235 52.324 52.037 0.086 0.000 0.827 188 A CB -0.187 18.867 19.000 0.091 0.000 0.856 188 A HN 0.239 nan 8.150 nan 0.000 0.488 189 K N 0.513 120.942 120.400 0.048 0.000 2.090 189 K HA -0.269 4.052 4.320 0.001 0.000 0.218 189 K C 0.327 176.949 176.600 0.036 0.000 1.055 189 K CA 2.257 58.562 56.287 0.031 0.000 0.941 189 K CB -0.200 32.308 32.500 0.012 0.000 0.722 189 K HN 0.420 nan 8.250 nan 0.000 0.458 190 D N -0.413 120.004 120.400 0.028 0.000 2.369 190 D HA 0.093 4.733 4.640 0.001 0.000 0.211 190 D C 1.650 177.949 176.300 -0.002 0.000 1.077 190 D CA 0.144 54.152 54.000 0.014 0.000 0.842 190 D CB 0.241 41.041 40.800 0.000 0.000 0.947 190 D HN 0.337 nan 8.370 nan 0.000 0.509 191 I N -0.227 120.351 120.570 0.013 0.000 2.286 191 I HA -0.113 4.057 4.170 0.001 0.000 0.245 191 I C 0.543 176.472 176.117 -0.313 0.000 1.104 191 I CA 0.832 62.053 61.300 -0.132 0.000 1.397 191 I CB 0.062 37.979 38.000 -0.139 0.000 1.072 191 I HN -0.187 nan 8.210 nan 0.000 0.417 192 F N 0.852 120.740 119.950 -0.103 0.000 2.440 192 F HA 0.419 4.947 4.527 0.001 0.000 0.328 192 F C -1.980 173.733 175.800 -0.145 0.000 1.070 192 F CA -2.911 54.979 58.000 -0.182 0.000 1.011 192 F CB -0.384 38.404 39.000 -0.354 0.000 1.226 192 F HN -0.303 nan 8.300 nan 0.000 0.491 193 P HA 0.098 nan 4.420 nan 0.000 0.268 193 P C -0.953 176.341 177.300 -0.011 0.000 1.208 193 P CA -0.407 62.710 63.100 0.029 0.000 0.777 193 P CB 0.276 32.027 31.700 0.086 0.000 0.875 194 A N 2.058 124.881 122.820 0.004 0.000 2.561 194 A HA 0.379 4.699 4.320 0.001 0.000 0.251 194 A C 1.554 179.123 177.584 -0.025 0.000 1.062 194 A CA 0.845 52.877 52.037 -0.007 0.000 0.761 194 A CB -1.570 17.434 19.000 0.007 0.000 0.986 194 A HN 0.905 nan 8.150 nan 0.000 0.510 195 G N 1.240 110.010 108.800 -0.050 0.000 2.217 195 G HA2 -0.267 3.693 3.960 0.001 0.000 0.246 195 G HA3 -0.267 3.693 3.960 0.001 0.000 0.246 195 G C 0.901 175.726 174.900 -0.124 0.000 0.990 195 G CA 0.504 45.567 45.100 -0.062 0.000 0.627 195 G HN 1.213 nan 8.290 nan 0.000 0.522 196 V N -0.048 119.740 119.914 -0.210 0.000 2.453 196 V HA 0.139 4.260 4.120 0.001 0.000 0.247 196 V C 1.432 177.262 176.094 -0.440 0.000 1.048 196 V CA 1.860 63.902 62.300 -0.430 0.000 1.049 196 V CB 0.287 31.626 31.823 -0.806 0.000 0.672 196 V HN 0.353 nan 8.190 nan 0.000 0.457 197 V N 1.334 121.038 119.914 -0.350 0.000 2.604 197 V HA 0.507 4.627 4.120 0.001 0.000 0.305 197 V C -0.723 175.274 176.094 -0.162 0.000 1.043 197 V CA -0.770 61.347 62.300 -0.305 0.000 0.888 197 V CB 1.887 33.477 31.823 -0.388 0.000 0.995 197 V HN 0.443 nan 8.190 nan 0.000 0.429 198 N N 4.585 123.211 118.700 -0.122 0.000 2.287 198 N HA 0.630 5.371 4.740 0.001 0.000 0.289 198 N C -1.479 174.007 175.510 -0.039 0.000 1.066 198 N CA -0.438 52.572 53.050 -0.067 0.000 0.841 198 N CB 3.086 41.537 38.487 -0.060 0.000 1.599 198 N HN 0.473 nan 8.380 nan 0.000 0.476 199 I N 2.641 123.207 120.570 -0.007 0.000 2.447 199 I HA 0.385 4.556 4.170 0.001 0.000 0.287 199 I C -0.200 175.950 176.117 0.055 0.000 1.023 199 I CA -0.530 60.785 61.300 0.025 0.000 1.083 199 I CB 1.687 39.710 38.000 0.038 0.000 1.245 199 I HN 0.228 nan 8.210 nan 0.000 0.434 200 L N 5.037 126.301 121.223 0.069 0.000 2.376 200 L HA 0.599 4.939 4.340 0.001 0.000 0.267 200 L C -0.896 176.084 176.870 0.183 0.000 1.035 200 L CA -0.845 54.055 54.840 0.099 0.000 0.800 200 L CB 1.659 43.752 42.059 0.056 0.000 1.290 200 L HN 0.441 nan 8.230 nan 0.000 0.462 201 F N -0.201 119.773 119.950 0.040 0.000 2.556 201 F HA 0.770 5.298 4.527 0.001 0.000 0.314 201 F C -0.030 175.797 175.800 0.046 0.000 1.106 201 F CA 0.065 58.094 58.000 0.048 0.000 0.911 201 F CB 2.036 41.069 39.000 0.056 0.000 1.190 201 F HN 0.520 nan 8.300 nan 0.000 0.448 202 G N 4.140 112.291 108.800 -1.081 0.000 2.368 202 G HA2 0.171 4.132 3.960 0.001 0.000 0.302 202 G HA3 0.171 4.132 3.960 0.001 0.000 0.302 202 G C -1.796 172.806 174.900 -0.496 0.000 1.329 202 G CA -1.392 43.168 45.100 -0.900 0.000 0.935 202 G HN 0.802 nan 8.290 nan 0.000 0.590 203 R N -0.311 120.004 120.500 -0.309 0.000 2.641 203 R HA 0.445 4.786 4.340 0.001 0.000 0.269 203 R C 1.936 178.170 176.300 -0.109 0.000 1.074 203 R CA 0.441 56.440 56.100 -0.168 0.000 1.133 203 R CB 0.705 30.938 30.300 -0.113 0.000 1.029 203 R HN 0.857 nan 8.270 nan 0.000 0.488 204 G N 1.663 110.418 108.800 -0.076 0.000 2.556 204 G HA2 -0.325 3.635 3.960 0.001 0.000 0.220 204 G HA3 -0.325 3.635 3.960 0.001 0.000 0.220 204 G C 1.180 176.043 174.900 -0.061 0.000 1.156 204 G CA 0.918 45.984 45.100 -0.057 0.000 0.766 204 G HN 0.474 nan 8.290 nan 0.000 0.583 205 K N -0.322 120.034 120.400 -0.073 0.000 2.098 205 K HA -0.037 4.283 4.320 0.001 0.000 0.203 205 K C 2.979 179.556 176.600 -0.039 0.000 1.051 205 K CA 1.550 57.796 56.287 -0.068 0.000 0.957 205 K CB -0.193 32.263 32.500 -0.073 0.000 0.738 205 K HN 0.506 nan 8.250 nan 0.000 0.447 206 T N -2.202 112.328 114.554 -0.041 0.000 3.014 206 T HA 0.027 4.378 4.350 0.001 0.000 0.263 206 T C 1.754 176.443 174.700 -0.018 0.000 1.078 206 T CA 0.672 62.757 62.100 -0.025 0.000 1.135 206 T CB 0.288 69.137 68.868 -0.031 0.000 0.895 206 T HN -0.090 nan 8.240 nan 0.000 0.480 207 V N 0.198 120.092 119.914 -0.034 0.000 3.058 207 V HA 0.383 4.503 4.120 0.001 0.000 0.233 207 V C 2.896 178.989 176.094 -0.002 0.000 1.255 207 V CA 0.547 62.834 62.300 -0.022 0.000 1.267 207 V CB -0.547 31.239 31.823 -0.062 0.000 1.049 207 V HN 0.511 nan 8.190 nan 0.000 0.486 208 G N 0.512 109.303 108.800 -0.015 0.000 2.545 208 G HA2 -0.291 3.669 3.960 0.001 0.000 0.217 208 G HA3 -0.291 3.669 3.960 0.001 0.000 0.217 208 G C 1.139 176.058 174.900 0.031 0.000 1.218 208 G CA 1.508 46.612 45.100 0.008 0.000 0.787 208 G HN 0.458 nan 8.290 nan 0.000 0.571 209 D N 1.073 121.474 120.400 0.003 0.000 2.116 209 D HA -0.090 4.550 4.640 0.001 0.000 0.193 209 D C 0.210 176.607 176.300 0.161 0.000 0.998 209 D CA 1.536 55.526 54.000 -0.017 0.000 0.836 209 D CB -1.154 39.596 40.800 -0.082 0.000 0.951 209 D HN 0.290 nan 8.370 nan 0.000 0.449 210 P HA -0.060 nan 4.420 nan 0.000 0.223 210 P C 1.743 179.142 177.300 0.165 0.000 1.151 210 P CA 0.627 63.813 63.100 0.143 0.000 0.787 210 P CB 0.057 31.818 31.700 0.101 0.000 0.788 211 L N 0.547 121.847 121.223 0.128 0.000 2.049 211 L HA -0.014 4.326 4.340 0.001 0.000 0.203 211 L C 2.177 179.127 176.870 0.134 0.000 1.074 211 L CA 2.668 57.575 54.840 0.112 0.000 0.749 211 L CB -1.896 40.199 42.059 0.059 0.000 0.907 211 L HN -0.018 nan 8.230 nan 0.000 0.439 212 T N -3.545 111.093 114.554 0.140 0.000 2.995 212 T HA 0.033 4.384 4.350 0.001 0.000 0.269 212 T C 1.693 176.490 174.700 0.162 0.000 1.091 212 T CA 0.668 62.856 62.100 0.147 0.000 1.128 212 T CB -0.943 68.020 68.868 0.158 0.000 0.891 212 T HN 0.408 nan 8.240 nan 0.000 0.492 213 G N -0.074 108.846 108.800 0.200 0.000 3.042 213 G HA2 0.055 4.016 3.960 0.001 0.000 0.212 213 G HA3 0.055 4.016 3.960 0.001 0.000 0.212 213 G C 0.392 175.306 174.900 0.023 0.000 1.166 213 G CA -0.461 44.659 45.100 0.033 0.000 0.767 213 G HN 0.576 nan 8.290 nan 0.000 0.546 214 H N 1.389 120.469 119.070 0.015 0.000 2.928 214 H HA 0.055 4.611 4.556 0.001 0.000 0.338 214 H C -1.313 174.007 175.328 -0.013 0.000 1.047 214 H CA -0.992 55.058 56.048 0.004 0.000 1.435 214 H CB 1.917 31.687 29.762 0.013 0.000 1.428 214 H HN -0.017 nan 8.280 nan 0.000 0.590 215 P HA -0.133 nan 4.420 nan 0.000 0.219 215 P C 1.046 178.422 177.300 0.127 0.000 1.146 215 P CA 1.219 64.326 63.100 0.012 0.000 0.808 215 P CB 0.430 32.093 31.700 -0.062 0.000 0.779 216 K N -0.956 119.633 120.400 0.314 0.000 2.365 216 K HA 0.104 4.425 4.320 0.001 0.000 0.197 216 K C 0.479 177.108 176.600 0.048 0.000 1.042 216 K CA 0.118 56.494 56.287 0.149 0.000 0.987 216 K CB -0.381 32.188 32.500 0.114 0.000 0.779 216 K HN 0.098 nan 8.250 nan 0.000 0.484 217 V N 3.070 123.025 119.914 0.069 0.000 2.521 217 V HA 0.033 4.153 4.120 0.001 0.000 0.286 217 V C 1.400 177.496 176.094 0.004 0.000 1.034 217 V CA 0.177 62.486 62.300 0.016 0.000 1.045 217 V CB 1.018 32.867 31.823 0.044 0.000 0.974 217 V HN 0.138 nan 8.190 nan 0.000 0.480 218 R N 3.090 123.575 120.500 -0.026 0.000 2.279 218 R HA 0.390 4.730 4.340 0.001 0.000 0.195 218 R C 0.172 176.464 176.300 -0.013 0.000 0.905 218 R CA 0.333 56.417 56.100 -0.026 0.000 1.044 218 R CB 0.405 30.672 30.300 -0.056 0.000 1.056 218 R HN 0.680 nan 8.270 nan 0.000 0.535 219 M N 0.337 119.937 119.600 -0.000 0.000 2.484 219 M HA 0.371 4.851 4.480 0.001 0.000 0.289 219 M C -1.653 174.675 176.300 0.047 0.000 1.206 219 M CA -0.711 54.598 55.300 0.015 0.000 0.892 219 M CB 2.716 35.318 32.600 0.003 0.000 1.712 219 M HN -0.308 nan 8.290 nan 0.000 0.462 220 V N 2.177 122.129 119.914 0.064 0.000 2.487 220 V HA 0.537 4.658 4.120 0.001 0.000 0.298 220 V C -0.644 175.528 176.094 0.130 0.000 1.028 220 V CA -0.598 61.756 62.300 0.090 0.000 0.860 220 V CB 1.708 33.580 31.823 0.082 0.000 0.991 220 V HN 0.840 nan 8.190 nan 0.000 0.427 221 S N 4.924 120.718 115.700 0.157 0.000 2.530 221 S HA 0.752 5.223 4.470 0.001 0.000 0.322 221 S C -1.032 173.673 174.600 0.176 0.000 1.085 221 S CA -0.458 57.879 58.200 0.229 0.000 1.096 221 S CB 0.858 64.231 63.200 0.289 0.000 0.988 221 S HN 0.639 nan 8.310 nan 0.000 0.466 222 L N 5.162 126.470 121.223 0.140 0.000 2.356 222 L HA 0.692 5.033 4.340 0.001 0.000 0.277 222 L C -0.597 176.306 176.870 0.055 0.000 0.996 222 L CA 0.135 55.019 54.840 0.073 0.000 0.822 222 L CB 2.101 44.178 42.059 0.031 0.000 1.256 222 L HN 0.537 nan 8.230 nan 0.000 0.413 223 T N 4.678 119.259 114.554 0.045 0.000 2.756 223 T HA 0.854 5.204 4.350 0.001 0.000 0.290 223 T C 0.078 174.733 174.700 -0.076 0.000 0.985 223 T CA 0.078 62.184 62.100 0.009 0.000 0.955 223 T CB 1.003 69.903 68.868 0.053 0.000 0.930 223 T HN 1.022 nan 8.240 nan 0.000 0.451 224 G N 1.887 110.619 108.800 -0.112 0.000 2.435 224 G HA2 0.533 4.493 3.960 0.001 0.000 0.296 224 G HA3 0.533 4.493 3.960 0.001 0.000 0.296 224 G C -0.520 174.272 174.900 -0.180 0.000 1.240 224 G CA -0.415 44.578 45.100 -0.178 0.000 0.872 224 G HN 0.777 nan 8.290 nan 0.000 0.480 225 S N -0.810 114.798 115.700 -0.155 0.000 2.614 225 S HA 0.437 4.907 4.470 0.001 0.000 0.265 225 S C 1.491 176.053 174.600 -0.064 0.000 1.303 225 S CA -0.230 57.898 58.200 -0.121 0.000 1.000 225 S CB 0.996 64.144 63.200 -0.086 0.000 0.935 225 S HN 0.530 nan 8.310 nan 0.000 0.551 226 I N 1.239 121.789 120.570 -0.033 0.000 2.226 226 I HA -0.161 4.010 4.170 0.001 0.000 0.245 226 I C 2.924 179.031 176.117 -0.017 0.000 1.100 226 I CA 1.460 62.745 61.300 -0.024 0.000 1.374 226 I CB -1.067 36.926 38.000 -0.012 0.000 1.057 226 I HN 0.863 nan 8.210 nan 0.000 0.413 227 A N 0.825 123.638 122.820 -0.010 0.000 1.873 227 A HA -0.258 4.063 4.320 0.001 0.000 0.218 227 A C 2.407 180.006 177.584 0.024 0.000 1.193 227 A CA 2.802 54.841 52.037 0.002 0.000 0.629 227 A CB -1.254 17.740 19.000 -0.010 0.000 0.826 227 A HN 0.406 nan 8.150 nan 0.000 0.447 228 T N -0.285 114.274 114.554 0.007 0.000 2.652 228 T HA -0.048 4.303 4.350 0.001 0.000 0.267 228 T C 2.016 176.748 174.700 0.053 0.000 1.039 228 T CA 1.638 63.757 62.100 0.031 0.000 1.153 228 T CB -0.926 67.940 68.868 -0.003 0.000 0.863 228 T HN 0.633 nan 8.240 nan 0.000 0.428 229 G N 1.239 110.042 108.800 0.005 0.000 2.553 229 G HA2 -0.338 3.623 3.960 0.001 0.000 0.218 229 G HA3 -0.338 3.623 3.960 0.001 0.000 0.218 229 G C 1.357 176.267 174.900 0.017 0.000 1.195 229 G CA 1.379 46.472 45.100 -0.011 0.000 0.779 229 G HN 0.652 nan 8.290 nan 0.000 0.577 230 E N -0.419 119.794 120.200 0.023 0.000 2.130 230 E HA -0.291 4.059 4.350 0.001 0.000 0.196 230 E C 2.107 178.747 176.600 0.067 0.000 0.998 230 E CA 1.357 57.779 56.400 0.036 0.000 0.806 230 E CB -0.426 29.292 29.700 0.031 0.000 0.738 230 E HN 0.697 nan 8.360 nan 0.000 0.459 231 H N 0.418 119.488 119.070 -0.000 0.000 2.395 231 H HA -0.049 4.507 4.556 0.001 0.000 0.299 231 H C 2.172 177.522 175.328 0.036 0.000 1.070 231 H CA 1.506 57.557 56.048 0.005 0.000 1.356 231 H CB 0.032 29.777 29.762 -0.029 0.000 1.401 231 H HN 0.268 nan 8.280 nan 0.000 0.524 232 I N 0.545 121.098 120.570 -0.029 0.000 2.315 232 I HA -0.253 3.917 4.170 0.001 0.000 0.248 232 I C 2.422 178.533 176.117 -0.011 0.000 1.117 232 I CA 0.755 62.033 61.300 -0.036 0.000 1.404 232 I CB -0.145 37.879 38.000 0.039 0.000 1.071 232 I HN 0.218 nan 8.210 nan 0.000 0.419 233 I N 0.403 120.976 120.570 0.006 0.000 2.113 233 I HA -0.286 3.884 4.170 0.001 0.000 0.238 233 I C 2.646 178.760 176.117 -0.004 0.000 1.070 233 I CA 1.626 62.939 61.300 0.023 0.000 1.332 233 I CB -0.408 37.622 38.000 0.050 0.000 1.044 233 I HN 0.164 nan 8.210 nan 0.000 0.402 234 S N -0.427 115.262 115.700 -0.018 0.000 2.383 234 S HA -0.304 4.166 4.470 0.001 0.000 0.229 234 S C 1.954 176.533 174.600 -0.035 0.000 1.030 234 S CA 1.744 59.930 58.200 -0.023 0.000 1.002 234 S CB -0.709 62.487 63.200 -0.006 0.000 0.829 234 S HN 0.519 nan 8.310 nan 0.000 0.467 235 H N 1.982 120.924 119.070 -0.214 0.000 2.462 235 H HA 0.011 4.567 4.556 0.001 0.000 0.292 235 H C 1.927 177.187 175.328 -0.113 0.000 1.049 235 H CA 1.736 57.653 56.048 -0.218 0.000 1.334 235 H CB -0.143 29.375 29.762 -0.407 0.000 1.404 235 H HN 0.525 nan 8.280 nan 0.000 0.544 236 T N -3.464 111.038 114.554 -0.087 0.000 3.054 236 T HA 0.423 4.773 4.350 0.001 0.000 0.255 236 T C 1.971 176.629 174.700 -0.070 0.000 1.035 236 T CA 0.171 62.212 62.100 -0.098 0.000 0.941 236 T CB 0.080 68.936 68.868 -0.021 0.000 1.026 236 T HN 0.322 nan 8.240 nan 0.000 0.533 237 A N 2.829 125.612 122.820 -0.061 0.000 1.908 237 A HA -0.101 4.220 4.320 0.001 0.000 0.218 237 A C 2.652 180.205 177.584 -0.052 0.000 1.181 237 A CA 2.216 54.227 52.037 -0.045 0.000 0.627 237 A CB -1.290 17.690 19.000 -0.034 0.000 0.818 237 A HN 0.781 nan 8.150 nan 0.000 0.445 238 S N 0.138 115.796 115.700 -0.070 0.000 2.440 238 S HA -0.127 4.344 4.470 0.001 0.000 0.238 238 S C 1.521 176.088 174.600 -0.056 0.000 1.010 238 S CA 1.682 59.844 58.200 -0.063 0.000 0.972 238 S CB -0.641 62.514 63.200 -0.075 0.000 0.774 238 S HN 1.052 nan 8.310 nan 0.000 0.501 239 S N 0.708 116.372 115.700 -0.058 0.000 2.650 239 S HA 0.403 4.874 4.470 0.001 0.000 0.240 239 S C 0.591 175.172 174.600 -0.032 0.000 1.007 239 S CA -0.252 57.923 58.200 -0.043 0.000 0.984 239 S CB -0.511 62.663 63.200 -0.043 0.000 0.910 239 S HN 0.462 nan 8.310 nan 0.000 0.509 240 I N 0.142 120.692 120.570 -0.033 0.000 6.395 240 I HA -0.234 3.936 4.170 0.001 0.000 0.126 240 I C 0.088 176.190 176.117 -0.024 0.000 1.812 240 I CA 0.718 62.000 61.300 -0.029 0.000 2.112 240 I CB -2.702 35.282 38.000 -0.028 0.000 3.457 240 I HN 0.502 nan 8.210 nan 0.000 0.192 241 K N 1.189 121.578 120.400 -0.019 0.000 2.436 241 K HA 0.206 4.527 4.320 0.001 0.000 0.275 241 K C 0.846 177.442 176.600 -0.007 0.000 0.999 241 K CA -0.456 55.826 56.287 -0.010 0.000 0.980 241 K CB 0.626 33.127 32.500 0.001 0.000 0.919 241 K HN 0.130 nan 8.250 nan 0.000 0.484 242 R N 1.520 122.013 120.500 -0.013 0.000 2.538 242 R HA -0.026 4.314 4.340 0.001 0.000 0.282 242 R C -0.143 176.173 176.300 0.027 0.000 1.009 242 R CA 0.609 56.699 56.100 -0.017 0.000 1.063 242 R CB 0.278 30.555 30.300 -0.038 0.000 0.945 242 R HN 0.703 nan 8.270 nan 0.000 0.414 243 T N 0.615 115.212 114.554 0.071 0.000 2.942 243 T HA 0.411 4.762 4.350 0.001 0.000 0.289 243 T C -1.053 173.842 174.700 0.325 0.000 1.044 243 T CA -0.846 61.361 62.100 0.178 0.000 1.023 243 T CB 1.641 70.635 68.868 0.211 0.000 1.123 243 T HN 0.723 nan 8.240 nan 0.000 0.512 244 H N 0.093 119.266 119.070 0.171 0.000 3.096 244 H HA 0.646 5.202 4.556 0.001 0.000 0.335 244 H C -1.630 173.715 175.328 0.029 0.000 0.990 244 H CA -0.558 55.568 56.048 0.131 0.000 1.393 244 H CB 1.408 31.156 29.762 -0.024 0.000 1.742 244 H HN 0.715 nan 8.280 nan 0.000 0.501 245 M N 3.828 123.184 119.600 -0.407 0.000 2.224 245 M HA 0.260 4.740 4.480 0.001 0.000 0.281 245 M C -1.456 174.617 176.300 -0.379 0.000 1.025 245 M CA -0.401 54.650 55.300 -0.415 0.000 0.954 245 M CB 1.994 34.232 32.600 -0.604 0.000 1.639 245 M HN 0.524 nan 8.290 nan 0.000 0.461 246 E N 5.287 125.383 120.200 -0.174 0.000 2.149 246 E HA 0.335 4.685 4.350 0.001 0.000 0.255 246 E C -1.020 175.549 176.600 -0.052 0.000 0.888 246 E CA -0.061 56.291 56.400 -0.079 0.000 0.742 246 E CB 0.842 30.587 29.700 0.075 0.000 1.164 246 E HN 0.804 nan 8.360 nan 0.000 0.422 247 L N 3.032 124.214 121.223 -0.068 0.000 2.965 247 L HA 0.407 4.747 4.340 0.001 0.000 0.254 247 L C 0.840 177.715 176.870 0.007 0.000 1.220 247 L CA -0.080 54.729 54.840 -0.051 0.000 1.023 247 L CB 0.238 42.255 42.059 -0.070 0.000 1.355 247 L HN 0.681 nan 8.230 nan 0.000 0.545 248 G N -0.289 108.534 108.800 0.038 0.000 2.549 248 G HA2 0.217 4.178 3.960 0.001 0.000 0.404 248 G HA3 0.217 4.178 3.960 0.001 0.000 0.404 248 G C -0.500 174.450 174.900 0.085 0.000 1.292 248 G CA -0.522 44.610 45.100 0.054 0.000 0.935 248 G HN 0.495 nan 8.290 nan 0.000 0.512 249 G N -1.358 107.383 108.800 -0.100 0.000 2.550 249 G HA2 0.742 4.702 3.960 0.001 0.000 0.293 249 G HA3 0.742 4.702 3.960 0.001 0.000 0.293 249 G C -1.517 173.054 174.900 -0.547 0.000 1.402 249 G CA 0.278 45.252 45.100 -0.210 0.000 0.784 249 G HN 1.245 nan 8.290 nan 0.000 0.482 250 K N 0.056 120.272 120.400 -0.306 0.000 2.723 250 K HA 0.662 4.983 4.320 0.001 0.000 0.229 250 K C -0.139 176.513 176.600 0.087 0.000 1.022 250 K CA -0.189 56.015 56.287 -0.138 0.000 1.045 250 K CB 0.900 33.327 32.500 -0.122 0.000 1.227 250 K HN 0.922 nan 8.250 nan 0.000 0.516 251 A N 4.852 127.743 122.820 0.119 0.000 2.404 251 A HA 0.422 4.743 4.320 0.001 0.000 0.273 251 A C -2.285 175.367 177.584 0.113 0.000 1.144 251 A CA -1.240 50.887 52.037 0.150 0.000 0.806 251 A CB -0.285 18.948 19.000 0.387 0.000 1.080 251 A HN 0.483 nan 8.150 nan 0.000 0.509 252 P HA 0.244 nan 4.420 nan 0.000 0.276 252 P C -0.647 176.782 177.300 0.214 0.000 1.235 252 P CA -0.029 63.156 63.100 0.141 0.000 0.772 252 P CB 1.027 32.815 31.700 0.147 0.000 0.871 253 V N 5.844 125.895 119.914 0.229 0.000 2.294 253 V HA 0.287 4.408 4.120 0.001 0.000 0.272 253 V C 0.509 176.783 176.094 0.301 0.000 1.027 253 V CA -0.369 62.102 62.300 0.286 0.000 0.823 253 V CB 0.283 32.171 31.823 0.108 0.000 1.030 253 V HN 0.415 nan 8.190 nan 0.000 0.457 254 I N 5.132 125.917 120.570 0.358 0.000 2.304 254 I HA 0.372 4.542 4.170 0.001 0.000 0.291 254 I C -0.415 175.898 176.117 0.327 0.000 1.018 254 I CA -0.441 61.013 61.300 0.257 0.000 1.260 254 I CB 1.575 39.620 38.000 0.074 0.000 1.390 254 I HN 0.261 nan 8.210 nan 0.000 0.475 255 V N 7.504 127.585 119.914 0.278 0.000 2.349 255 V HA 0.355 4.475 4.120 0.001 0.000 0.284 255 V C -0.147 176.082 176.094 0.225 0.000 1.014 255 V CA -0.520 61.941 62.300 0.267 0.000 0.826 255 V CB 0.841 32.725 31.823 0.102 0.000 1.009 255 V HN 0.394 nan 8.190 nan 0.000 0.431 256 F N 1.750 121.906 119.950 0.343 0.000 2.370 256 F HA 0.325 4.853 4.527 0.001 0.000 0.319 256 F C 1.673 177.550 175.800 0.129 0.000 1.129 256 F CA -0.238 57.919 58.000 0.262 0.000 1.109 256 F CB 0.699 39.855 39.000 0.260 0.000 1.262 256 F HN 0.441 nan 8.300 nan 0.000 0.534 257 D N 0.404 120.966 120.400 0.269 0.000 2.203 257 D HA -0.202 4.439 4.640 0.001 0.000 0.199 257 D C 1.376 177.769 176.300 0.155 0.000 0.997 257 D CA 1.734 55.824 54.000 0.151 0.000 0.863 257 D CB -0.367 40.501 40.800 0.113 0.000 0.928 257 D HN 0.536 nan 8.370 nan 0.000 0.458 258 D N -0.441 120.077 120.400 0.196 0.000 2.325 258 D HA 0.161 4.802 4.640 0.001 0.000 0.225 258 D C 0.378 176.784 176.300 0.178 0.000 1.096 258 D CA -0.217 53.874 54.000 0.151 0.000 0.844 258 D CB -0.507 40.361 40.800 0.115 0.000 0.925 258 D HN 0.044 nan 8.370 nan 0.000 0.513 259 A N 0.463 123.418 122.820 0.226 0.000 2.406 259 A HA 0.171 4.492 4.320 0.001 0.000 0.243 259 A C 0.278 177.976 177.584 0.189 0.000 1.082 259 A CA -0.284 51.907 52.037 0.256 0.000 0.786 259 A CB 0.209 19.391 19.000 0.303 0.000 1.029 259 A HN 0.148 nan 8.150 nan 0.000 0.495 260 D N 1.655 122.186 120.400 0.219 0.000 2.374 260 D HA 0.140 4.780 4.640 0.001 0.000 0.240 260 D C 1.072 177.445 176.300 0.121 0.000 1.229 260 D CA -0.404 53.693 54.000 0.161 0.000 0.895 260 D CB 0.124 41.033 40.800 0.182 0.000 1.046 260 D HN 0.266 nan 8.370 nan 0.000 0.498 261 I N 3.187 123.794 120.570 0.060 0.000 2.226 261 I HA -0.197 3.974 4.170 0.001 0.000 0.245 261 I C 2.013 178.111 176.117 -0.031 0.000 1.100 261 I CA 0.899 62.198 61.300 -0.002 0.000 1.374 261 I CB -0.768 37.226 38.000 -0.009 0.000 1.057 261 I HN 0.441 nan 8.210 nan 0.000 0.413 262 E N 0.984 121.185 120.200 0.001 0.000 2.085 262 E HA -0.170 4.180 4.350 0.001 0.000 0.194 262 E C 2.335 178.936 176.600 0.001 0.000 0.994 262 E CA 1.711 58.107 56.400 -0.007 0.000 0.801 262 E CB -0.177 29.529 29.700 0.011 0.000 0.743 262 E HN 0.467 nan 8.360 nan 0.000 0.453 263 A N -0.057 122.802 122.820 0.065 0.000 1.902 263 A HA -0.152 4.169 4.320 0.001 0.000 0.217 263 A C 2.437 180.046 177.584 0.043 0.000 1.181 263 A CA 1.432 53.559 52.037 0.151 0.000 0.623 263 A CB -0.703 18.483 19.000 0.310 0.000 0.818 263 A HN 0.166 nan 8.150 nan 0.000 0.443 264 V N -0.354 119.439 119.914 -0.202 0.000 2.287 264 V HA -0.267 3.853 4.120 0.001 0.000 0.248 264 V C 2.574 178.408 176.094 -0.434 0.000 1.053 264 V CA 2.121 63.967 62.300 -0.757 0.000 1.027 264 V CB -0.931 30.499 31.823 -0.655 0.000 0.646 264 V HN 0.372 nan 8.190 nan 0.000 0.447 265 V N 0.168 119.939 119.914 -0.238 0.000 2.233 265 V HA -0.333 3.787 4.120 0.001 0.000 0.247 265 V C 2.529 178.529 176.094 -0.157 0.000 1.050 265 V CA 2.535 64.731 62.300 -0.174 0.000 1.010 265 V CB -0.655 31.095 31.823 -0.123 0.000 0.637 265 V HN 0.763 nan 8.190 nan 0.000 0.444 266 E N 0.134 120.262 120.200 -0.120 0.000 2.204 266 E HA -0.162 4.188 4.350 0.001 0.000 0.195 266 E C 2.153 178.638 176.600 -0.191 0.000 0.990 266 E CA 1.421 57.750 56.400 -0.118 0.000 0.821 266 E CB -0.424 29.241 29.700 -0.058 0.000 0.750 266 E HN 0.571 nan 8.360 nan 0.000 0.477 267 G N 0.499 109.213 108.800 -0.143 0.000 2.404 267 G HA2 -0.192 3.768 3.960 0.001 0.000 0.214 267 G HA3 -0.192 3.768 3.960 0.001 0.000 0.214 267 G C 1.634 176.350 174.900 -0.307 0.000 1.189 267 G CA 0.742 45.753 45.100 -0.148 0.000 0.789 267 G HN 0.233 nan 8.290 nan 0.000 0.533 268 V N 0.744 120.547 119.914 -0.186 0.000 2.548 268 V HA -0.063 4.057 4.120 0.001 0.000 0.249 268 V C 2.752 178.814 176.094 -0.055 0.000 1.055 268 V CA 1.673 63.903 62.300 -0.117 0.000 1.065 268 V CB -0.361 31.386 31.823 -0.127 0.000 0.681 268 V HN 0.371 nan 8.190 nan 0.000 0.462 269 R N -0.128 120.309 120.500 -0.106 0.000 2.105 269 R HA -0.186 4.155 4.340 0.001 0.000 0.239 269 R C 2.200 178.470 176.300 -0.051 0.000 1.135 269 R CA 2.203 58.262 56.100 -0.068 0.000 0.967 269 R CB -0.297 29.911 30.300 -0.153 0.000 0.861 269 R HN 0.522 nan 8.270 nan 0.000 0.442 270 T N 0.148 114.532 114.554 -0.283 0.000 2.814 270 T HA -0.021 4.329 4.350 0.001 0.000 0.254 270 T C 1.216 175.717 174.700 -0.331 0.000 1.037 270 T CA 1.137 63.015 62.100 -0.370 0.000 1.143 270 T CB -0.165 68.245 68.868 -0.762 0.000 0.866 270 T HN 0.151 nan 8.240 nan 0.000 0.431 271 F N 1.291 121.057 119.950 -0.307 0.000 2.710 271 F HA 0.324 4.852 4.527 0.001 0.000 0.298 271 F C 2.387 177.940 175.800 -0.411 0.000 1.137 271 F CA -0.417 57.193 58.000 -0.651 0.000 1.444 271 F CB -1.074 37.597 39.000 -0.548 0.000 1.111 271 F HN 0.208 nan 8.300 nan 0.000 0.580 272 G N -1.727 106.997 108.800 -0.128 0.000 2.494 272 G HA2 -0.147 3.813 3.960 0.001 0.000 0.216 272 G HA3 -0.147 3.813 3.960 0.001 0.000 0.216 272 G C 0.834 175.370 174.900 -0.607 0.000 1.140 272 G CA 0.529 45.380 45.100 -0.415 0.000 0.801 272 G HN 0.409 nan 8.290 nan 0.000 0.536 273 Y N -2.443 117.845 120.300 -0.020 0.000 2.610 273 Y HA 0.358 4.909 4.550 0.001 0.000 0.254 273 Y C 0.282 176.218 175.900 0.059 0.000 1.110 273 Y CA -1.855 56.256 58.100 0.018 0.000 1.238 273 Y CB -0.124 38.335 38.460 -0.002 0.000 1.322 273 Y HN 0.086 nan 8.280 nan 0.000 0.547 274 Y N 2.620 122.954 120.300 0.057 0.000 2.610 274 Y HA 0.094 4.645 4.550 0.001 0.000 0.332 274 Y C 1.134 177.126 175.900 0.152 0.000 1.201 274 Y CA 0.142 58.299 58.100 0.096 0.000 1.465 274 Y CB 0.252 38.745 38.460 0.056 0.000 1.283 274 Y HN 0.338 nan 8.280 nan 0.000 0.563 275 N N 3.311 121.850 118.700 -0.267 0.000 2.747 275 N HA -0.261 4.480 4.740 0.001 0.000 0.249 275 N C 0.138 175.617 175.510 -0.052 0.000 1.107 275 N CA 1.165 54.115 53.050 -0.167 0.000 0.707 275 N CB -1.371 37.097 38.487 -0.031 0.000 1.054 275 N HN 1.257 nan 8.380 nan 0.000 0.555 276 A N -1.706 121.114 122.820 -0.001 0.000 2.799 276 A HA 0.041 4.362 4.320 0.001 0.000 0.287 276 A C 2.169 179.779 177.584 0.042 0.000 1.484 276 A CA 1.886 53.962 52.037 0.064 0.000 0.813 276 A CB -1.967 17.071 19.000 0.062 0.000 1.009 276 A HN 2.160 nan 8.150 nan 0.000 0.545 277 G N -2.417 106.390 108.800 0.011 0.000 2.168 277 G HA2 -0.296 3.664 3.960 0.001 0.000 0.263 277 G HA3 -0.296 3.664 3.960 0.001 0.000 0.263 277 G C 0.055 174.802 174.900 -0.254 0.000 0.977 277 G CA 0.874 45.927 45.100 -0.079 0.000 0.659 277 G HN 1.444 nan 8.290 nan 0.000 0.533 278 Q N 0.818 120.438 119.800 -0.301 0.000 3.150 278 Q HA 0.410 4.750 4.340 0.001 0.000 0.297 278 Q C -0.592 174.891 176.000 -0.863 0.000 1.382 278 Q CA -0.108 55.187 55.803 -0.847 0.000 1.059 278 Q CB 0.590 29.239 28.738 -0.147 0.000 1.559 278 Q HN 0.421 nan 8.270 nan 0.000 0.548 279 D N -0.316 119.605 120.400 -0.798 0.000 2.934 279 D HA 0.131 4.772 4.640 0.001 0.000 0.230 279 D C 0.090 176.428 176.300 0.063 0.000 1.204 279 D CA -0.640 53.329 54.000 -0.050 0.000 0.873 279 D CB 1.914 42.926 40.800 0.354 0.000 1.645 279 D HN 0.331 nan 8.370 nan 0.000 0.502 280 C N 1.299 120.803 119.300 0.339 0.000 2.500 280 C HA 0.010 4.471 4.460 0.001 0.000 0.273 280 C C 1.951 177.141 174.990 0.334 0.000 1.428 280 C CA 0.797 60.061 59.018 0.410 0.000 1.766 280 C CB -1.482 26.476 27.740 0.364 0.000 1.817 280 C HN 0.681 nan 8.230 nan 0.000 0.543 281 T N -1.980 112.779 114.554 0.341 0.000 3.174 281 T HA 0.505 4.856 4.350 0.001 0.000 0.269 281 T C 0.513 175.576 174.700 0.606 0.000 1.017 281 T CA 0.306 62.675 62.100 0.447 0.000 0.899 281 T CB -0.161 68.968 68.868 0.435 0.000 1.077 281 T HN 0.395 nan 8.240 nan 0.000 0.552 282 A N 1.248 124.329 122.820 0.435 0.000 2.561 282 A HA 0.574 4.894 4.320 0.001 0.000 0.234 282 A C 1.043 178.744 177.584 0.195 0.000 1.055 282 A CA 0.054 52.278 52.037 0.312 0.000 0.756 282 A CB -0.408 18.650 19.000 0.096 0.000 0.986 282 A HN 0.963 nan 8.150 nan 0.000 0.505 283 A N 2.024 124.815 122.820 -0.049 0.000 2.915 283 A HA 0.373 4.693 4.320 0.001 0.000 0.292 283 A C 1.085 178.558 177.584 -0.184 0.000 1.632 283 A CA 0.173 52.021 52.037 -0.315 0.000 1.337 283 A CB -1.389 17.332 19.000 -0.466 0.000 1.111 283 A HN 1.707 nan 8.150 nan 0.000 0.569 284 C N -0.051 119.192 119.300 -0.094 0.000 3.097 284 C HA 0.478 4.938 4.460 0.001 0.000 0.335 284 C C 0.905 175.838 174.990 -0.094 0.000 1.283 284 C CA -0.264 58.688 59.018 -0.109 0.000 1.778 284 C CB -0.884 26.820 27.740 -0.060 0.000 2.365 284 C HN 0.690 nan 8.230 nan 0.000 0.627 285 R N 1.750 122.207 120.500 -0.072 0.000 2.312 285 R HA 0.647 4.987 4.340 0.001 0.000 0.310 285 R C -1.144 175.066 176.300 -0.149 0.000 1.064 285 R CA -0.501 55.526 56.100 -0.122 0.000 0.983 285 R CB 0.114 30.364 30.300 -0.083 0.000 1.139 285 R HN 0.529 nan 8.270 nan 0.000 0.536 286 I N 4.747 125.223 120.570 -0.158 0.000 2.371 286 I HA 0.163 4.334 4.170 0.001 0.000 0.290 286 I C -0.533 175.509 176.117 -0.125 0.000 1.028 286 I CA -0.604 60.644 61.300 -0.088 0.000 1.345 286 I CB 0.771 38.739 38.000 -0.053 0.000 1.407 286 I HN 0.509 nan 8.210 nan 0.000 0.501 287 Y N 5.100 125.496 120.300 0.160 0.000 2.353 287 Y HA 0.559 5.110 4.550 0.001 0.000 0.340 287 Y C 0.420 176.580 175.900 0.434 0.000 0.972 287 Y CA -0.645 57.633 58.100 0.298 0.000 1.157 287 Y CB 1.474 40.026 38.460 0.152 0.000 1.157 287 Y HN 0.613 nan 8.280 nan 0.000 0.495 288 A N 4.352 127.498 122.820 0.544 0.000 2.319 288 A HA 0.391 4.712 4.320 0.001 0.000 0.310 288 A C -0.550 176.960 177.584 -0.124 0.000 1.152 288 A CA -0.841 51.359 52.037 0.273 0.000 0.783 288 A CB 0.895 20.034 19.000 0.232 0.000 1.184 288 A HN 0.787 nan 8.150 nan 0.000 0.474 289 Q N 1.623 121.010 119.800 -0.688 0.000 2.395 289 Q HA 0.077 4.418 4.340 0.001 0.000 0.271 289 Q C 0.675 176.452 176.000 -0.370 0.000 1.026 289 Q CA 0.331 55.472 55.803 -1.105 0.000 0.900 289 Q CB 0.592 28.772 28.738 -0.931 0.000 1.266 289 Q HN 0.717 nan 8.270 nan 0.000 0.430 290 K N 2.002 122.208 120.400 -0.323 0.000 2.147 290 K HA -0.144 4.176 4.320 0.001 0.000 0.205 290 K C 1.667 178.244 176.600 -0.039 0.000 1.049 290 K CA 1.270 57.477 56.287 -0.135 0.000 0.936 290 K CB -0.203 32.220 32.500 -0.127 0.000 0.722 290 K HN 0.861 nan 8.250 nan 0.000 0.446 291 G N 1.589 110.357 108.800 -0.054 0.000 2.446 291 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 291 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 291 G C 1.361 176.274 174.900 0.021 0.000 1.168 291 G CA 1.319 46.416 45.100 -0.006 0.000 0.771 291 G HN 0.387 nan 8.290 nan 0.000 0.551 292 I N -2.526 118.054 120.570 0.018 0.000 3.883 292 I HA 0.349 4.519 4.170 0.001 0.000 0.326 292 I C 1.963 178.104 176.117 0.040 0.000 1.283 292 I CA -1.269 60.046 61.300 0.025 0.000 1.161 292 I CB -0.671 37.341 38.000 0.021 0.000 1.012 292 I HN 0.149 nan 8.210 nan 0.000 0.421 293 Y N 2.301 122.565 120.300 -0.059 0.000 2.081 293 Y HA -0.292 4.258 4.550 0.001 0.000 0.280 293 Y C 2.028 177.911 175.900 -0.029 0.000 1.163 293 Y CA 2.235 60.308 58.100 -0.046 0.000 1.135 293 Y CB -0.192 38.242 38.460 -0.044 0.000 0.970 293 Y HN 0.196 nan 8.280 nan 0.000 0.498 294 D N -1.057 119.366 120.400 0.038 0.000 2.149 294 D HA -0.117 4.523 4.640 0.001 0.000 0.201 294 D C 2.126 178.367 176.300 -0.098 0.000 0.972 294 D CA 1.813 55.784 54.000 -0.048 0.000 0.835 294 D CB -0.364 40.473 40.800 0.062 0.000 0.966 294 D HN 0.410 nan 8.370 nan 0.000 0.476 295 T N 1.539 116.057 114.554 -0.059 0.000 2.737 295 T HA -0.136 4.215 4.350 0.001 0.000 0.265 295 T C 2.000 176.640 174.700 -0.099 0.000 1.038 295 T CA 0.517 62.580 62.100 -0.061 0.000 1.144 295 T CB -0.387 68.463 68.868 -0.031 0.000 0.866 295 T HN 0.029 nan 8.240 nan 0.000 0.434 296 L N 1.458 122.607 121.223 -0.122 0.000 1.989 296 L HA -0.079 4.261 4.340 0.001 0.000 0.211 296 L C 2.490 179.245 176.870 -0.192 0.000 1.071 296 L CA 1.570 56.321 54.840 -0.149 0.000 0.749 296 L CB -0.843 41.127 42.059 -0.149 0.000 0.890 296 L HN 0.072 nan 8.230 nan 0.000 0.431 297 V N -0.193 119.548 119.914 -0.289 0.000 2.287 297 V HA -0.346 3.775 4.120 0.001 0.000 0.248 297 V C 2.582 178.574 176.094 -0.170 0.000 1.053 297 V CA 2.121 64.247 62.300 -0.290 0.000 1.027 297 V CB -0.643 30.895 31.823 -0.476 0.000 0.646 297 V HN 0.618 nan 8.190 nan 0.000 0.447 298 E N 0.152 120.267 120.200 -0.141 0.000 2.012 298 E HA -0.279 4.072 4.350 0.001 0.000 0.197 298 E C 2.329 178.876 176.600 -0.087 0.000 1.007 298 E CA 1.770 58.114 56.400 -0.094 0.000 0.816 298 E CB -0.109 29.548 29.700 -0.071 0.000 0.762 298 E HN 0.552 nan 8.360 nan 0.000 0.451 299 K N 0.027 120.374 120.400 -0.088 0.000 2.097 299 K HA -0.179 4.142 4.320 0.001 0.000 0.206 299 K C 2.238 178.781 176.600 -0.094 0.000 1.049 299 K CA 0.999 57.237 56.287 -0.082 0.000 0.933 299 K CB -0.210 32.244 32.500 -0.076 0.000 0.717 299 K HN 0.143 nan 8.250 nan 0.000 0.442 300 L N 0.938 122.097 121.223 -0.107 0.000 2.027 300 L HA -0.048 4.292 4.340 0.001 0.000 0.206 300 L C 2.198 179.010 176.870 -0.097 0.000 1.074 300 L CA 1.980 56.757 54.840 -0.105 0.000 0.745 300 L CB -1.183 40.811 42.059 -0.109 0.000 0.898 300 L HN 0.202 nan 8.230 nan 0.000 0.433 301 G N -0.871 107.874 108.800 -0.091 0.000 2.476 301 G HA2 -0.343 3.618 3.960 0.001 0.000 0.218 301 G HA3 -0.343 3.618 3.960 0.001 0.000 0.218 301 G C 1.600 176.445 174.900 -0.091 0.000 1.164 301 G CA 1.119 46.170 45.100 -0.081 0.000 0.768 301 G HN 0.650 nan 8.290 nan 0.000 0.560 302 A N 0.903 123.671 122.820 -0.086 0.000 1.933 302 A HA 0.312 4.633 4.320 0.001 0.000 0.218 302 A C 2.802 180.327 177.584 -0.098 0.000 1.175 302 A CA 2.225 54.212 52.037 -0.083 0.000 0.628 302 A CB -0.675 18.284 19.000 -0.069 0.000 0.814 302 A HN 0.818 nan 8.150 nan 0.000 0.444 303 A N -0.541 122.214 122.820 -0.108 0.000 1.873 303 A HA 0.036 4.356 4.320 0.001 0.000 0.215 303 A C 2.201 179.682 177.584 -0.172 0.000 1.186 303 A CA 1.640 53.602 52.037 -0.125 0.000 0.616 303 A CB -0.937 17.990 19.000 -0.122 0.000 0.823 303 A HN 0.373 nan 8.150 nan 0.000 0.442 304 V N 0.087 119.873 119.914 -0.212 0.000 2.332 304 V HA -0.277 3.843 4.120 0.001 0.000 0.248 304 V C 2.992 178.915 176.094 -0.284 0.000 1.055 304 V CA 1.929 64.016 62.300 -0.355 0.000 1.038 304 V CB -1.215 30.380 31.823 -0.380 0.000 0.651 304 V HN 0.604 nan 8.190 nan 0.000 0.450 305 A N 0.521 123.232 122.820 -0.183 0.000 2.125 305 A HA -0.183 4.138 4.320 0.001 0.000 0.219 305 A C 2.305 179.814 177.584 -0.126 0.000 1.156 305 A CA 2.074 54.028 52.037 -0.139 0.000 0.671 305 A CB -0.729 18.210 19.000 -0.102 0.000 0.794 305 A HN 0.670 nan 8.150 nan 0.000 0.459 306 T N -2.361 112.117 114.554 -0.128 0.000 3.100 306 T HA 0.332 4.683 4.350 0.001 0.000 0.253 306 T C 0.539 175.176 174.700 -0.105 0.000 1.118 306 T CA -0.310 61.729 62.100 -0.102 0.000 1.058 306 T CB -0.604 68.210 68.868 -0.089 0.000 0.953 306 T HN 0.218 nan 8.240 nan 0.000 0.515 307 L N 2.168 123.307 121.223 -0.141 0.000 2.667 307 L HA 0.097 4.438 4.340 0.001 0.000 0.278 307 L C 0.723 177.546 176.870 -0.078 0.000 1.217 307 L CA 0.309 55.077 54.840 -0.120 0.000 0.935 307 L CB 0.219 42.172 42.059 -0.176 0.000 1.193 307 L HN 0.161 nan 8.230 nan 0.000 0.493 308 K N 3.002 123.374 120.400 -0.047 0.000 2.253 308 K HA 0.326 4.646 4.320 0.001 0.000 0.277 308 K C -0.513 176.077 176.600 -0.017 0.000 1.053 308 K CA -0.372 55.892 56.287 -0.039 0.000 0.892 308 K CB 0.953 33.434 32.500 -0.031 0.000 1.102 308 K HN 0.619 nan 8.250 nan 0.000 0.469 309 S N 1.112 116.784 115.700 -0.047 0.000 2.713 309 S HA 0.850 5.320 4.470 0.001 0.000 0.283 309 S C 0.119 174.645 174.600 -0.123 0.000 1.161 309 S CA -0.553 57.612 58.200 -0.059 0.000 0.999 309 S CB 1.719 64.834 63.200 -0.142 0.000 1.039 309 S HN 0.902 nan 8.310 nan 0.000 0.548 310 G N -0.563 108.142 108.800 -0.158 0.000 2.359 310 G HA2 0.487 4.447 3.960 0.001 0.000 0.293 310 G HA3 0.487 4.447 3.960 0.001 0.000 0.293 310 G C -1.195 173.695 174.900 -0.018 0.000 1.300 310 G CA -0.477 44.557 45.100 -0.111 0.000 0.888 310 G HN 0.976 nan 8.290 nan 0.000 0.541 311 A N 0.519 123.339 122.820 0.001 0.000 2.520 311 A HA 0.598 4.919 4.320 0.001 0.000 0.245 311 A C -0.579 177.046 177.584 0.069 0.000 1.072 311 A CA 0.090 52.155 52.037 0.047 0.000 0.761 311 A CB 0.096 19.109 19.000 0.022 0.000 1.004 311 A HN 0.393 nan 8.150 nan 0.000 0.499 312 P HA -0.194 nan 4.420 nan 0.000 0.216 312 P C 0.473 177.803 177.300 0.050 0.000 1.150 312 P CA 1.890 65.023 63.100 0.055 0.000 0.843 312 P CB -0.073 31.648 31.700 0.035 0.000 0.787 313 D N -1.900 118.527 120.400 0.045 0.000 2.344 313 D HA -0.006 4.634 4.640 0.001 0.000 0.242 313 D C -0.132 176.201 176.300 0.056 0.000 1.159 313 D CA -0.153 53.873 54.000 0.044 0.000 0.859 313 D CB -0.854 39.959 40.800 0.022 0.000 0.925 313 D HN 0.068 nan 8.370 nan 0.000 0.510 314 D N 0.244 120.688 120.400 0.074 0.000 2.256 314 D HA 0.115 4.755 4.640 0.001 0.000 0.240 314 D C 0.788 177.156 176.300 0.113 0.000 1.062 314 D CA -0.574 53.465 54.000 0.065 0.000 0.832 314 D CB 1.730 42.553 40.800 0.038 0.000 1.135 314 D HN -0.120 nan 8.370 nan 0.000 0.484 315 E N 1.392 121.637 120.200 0.075 0.000 2.171 315 E HA -0.196 4.154 4.350 0.001 0.000 0.197 315 E C 1.614 178.189 176.600 -0.042 0.000 0.997 315 E CA 1.749 58.170 56.400 0.035 0.000 0.810 315 E CB 0.189 29.867 29.700 -0.037 0.000 0.738 315 E HN 0.525 nan 8.360 nan 0.000 0.467 316 S N -1.342 114.359 115.700 0.000 0.000 2.522 316 S HA 0.014 4.484 4.470 0.001 0.000 0.227 316 S C 0.895 175.522 174.600 0.046 0.000 0.986 316 S CA 0.124 58.316 58.200 -0.013 0.000 0.929 316 S CB -0.049 63.142 63.200 -0.016 0.000 0.769 316 S HN -0.024 nan 8.310 nan 0.000 0.529 317 T N 3.038 117.661 114.554 0.115 0.000 2.888 317 T HA 0.167 4.517 4.350 0.001 0.000 0.301 317 T C 0.705 175.530 174.700 0.208 0.000 1.001 317 T CA 0.134 62.312 62.100 0.130 0.000 1.147 317 T CB 0.973 69.911 68.868 0.116 0.000 0.931 317 T HN 0.449 nan 8.240 nan 0.000 0.541 318 E N 1.365 121.636 120.200 0.119 0.000 2.332 318 E HA 0.165 4.516 4.350 0.001 0.000 0.202 318 E C -0.028 176.607 176.600 0.058 0.000 0.877 318 E CA -0.160 56.306 56.400 0.110 0.000 0.979 318 E CB 0.423 30.162 29.700 0.065 0.000 0.969 318 E HN 0.216 nan 8.360 nan 0.000 0.495 319 L N 1.227 122.490 121.223 0.067 0.000 2.319 319 L HA 0.519 4.859 4.340 0.001 0.000 0.281 319 L C -0.050 176.916 176.870 0.161 0.000 1.005 319 L CA -0.428 54.465 54.840 0.089 0.000 0.828 319 L CB 1.355 43.476 42.059 0.103 0.000 1.227 319 L HN -0.015 nan 8.230 nan 0.000 0.415 320 G N 4.651 113.509 108.800 0.098 0.000 2.557 320 G HA2 0.626 4.587 3.960 0.001 0.000 0.302 320 G HA3 0.626 4.587 3.960 0.001 0.000 0.302 320 G C -2.771 172.079 174.900 -0.083 0.000 1.311 320 G CA -1.199 43.955 45.100 0.089 0.000 1.030 320 G HN 0.527 nan 8.290 nan 0.000 0.509 321 P HA 0.221 nan 4.420 nan 0.000 0.274 321 P C 0.103 177.283 177.300 -0.200 0.000 1.246 321 P CA -0.440 62.232 63.100 -0.713 0.000 0.795 321 P CB 1.004 32.169 31.700 -0.891 0.000 1.006 322 L N 0.578 121.767 121.223 -0.056 0.000 2.468 322 L HA 0.010 4.350 4.340 0.001 0.000 0.253 322 L C 2.183 179.067 176.870 0.022 0.000 1.237 322 L CA 0.252 55.124 54.840 0.055 0.000 0.823 322 L CB -0.224 41.899 42.059 0.106 0.000 1.124 322 L HN 0.459 nan 8.230 nan 0.000 0.504 323 S N -1.621 114.021 115.700 -0.097 0.000 2.461 323 S HA 0.026 4.497 4.470 0.001 0.000 0.228 323 S C 0.560 175.000 174.600 -0.268 0.000 1.005 323 S CA 0.295 58.334 58.200 -0.267 0.000 0.942 323 S CB -0.136 62.598 63.200 -0.777 0.000 0.776 323 S HN 0.758 nan 8.310 nan 0.000 0.514 324 S N -0.722 114.737 115.700 -0.401 0.000 2.643 324 S HA 0.550 5.021 4.470 0.001 0.000 0.270 324 S C 0.134 174.037 174.600 -1.161 0.000 1.166 324 S CA -0.569 57.179 58.200 -0.754 0.000 0.815 324 S CB 0.722 63.571 63.200 -0.586 0.000 1.139 324 S HN 0.095 nan 8.310 nan 0.000 0.472 325 L N 1.657 121.997 121.223 -1.473 0.000 2.017 325 L HA 0.227 4.567 4.340 0.001 0.000 0.208 325 L C 2.779 179.376 176.870 -0.455 0.000 1.073 325 L CA 2.795 57.077 54.840 -0.929 0.000 0.745 325 L CB -1.429 40.253 42.059 -0.629 0.000 0.894 325 L HN 0.999 nan 8.230 nan 0.000 0.432 326 A N -1.641 120.957 122.820 -0.370 0.000 1.978 326 A HA -0.310 4.011 4.320 0.001 0.000 0.220 326 A C 2.272 179.763 177.584 -0.155 0.000 1.170 326 A CA 1.917 53.825 52.037 -0.215 0.000 0.636 326 A CB -0.989 17.905 19.000 -0.176 0.000 0.810 326 A HN 0.723 nan 8.150 nan 0.000 0.448 327 H N -0.861 118.031 119.070 -0.297 0.000 2.395 327 H HA 0.021 4.577 4.556 0.001 0.000 0.299 327 H C 1.707 176.940 175.328 -0.158 0.000 1.070 327 H CA 1.427 57.349 56.048 -0.209 0.000 1.356 327 H CB -0.210 29.375 29.762 -0.296 0.000 1.401 327 H HN 0.313 nan 8.280 nan 0.000 0.524 328 L N 0.660 121.732 121.223 -0.252 0.000 2.083 328 L HA -0.107 4.234 4.340 0.001 0.000 0.209 328 L C 1.905 178.665 176.870 -0.184 0.000 1.083 328 L CA 1.734 56.451 54.840 -0.205 0.000 0.752 328 L CB -0.433 41.589 42.059 -0.061 0.000 0.899 328 L HN 0.295 nan 8.230 nan 0.000 0.433 329 E N -0.348 119.754 120.200 -0.164 0.000 2.047 329 E HA -0.227 4.123 4.350 0.001 0.000 0.191 329 E C 2.347 178.868 176.600 -0.133 0.000 0.987 329 E CA 1.071 57.403 56.400 -0.114 0.000 0.799 329 E CB -0.202 29.439 29.700 -0.098 0.000 0.752 329 E HN 0.522 nan 8.360 nan 0.000 0.449 330 R N 0.518 120.923 120.500 -0.158 0.000 2.094 330 R HA -0.150 4.191 4.340 0.001 0.000 0.239 330 R C 2.501 178.677 176.300 -0.206 0.000 1.137 330 R CA 1.448 57.461 56.100 -0.146 0.000 0.943 330 R CB -0.364 29.873 30.300 -0.106 0.000 0.850 330 R HN 0.021 nan 8.270 nan 0.000 0.433 331 V N -0.322 119.377 119.914 -0.357 0.000 2.295 331 V HA -0.173 3.948 4.120 0.001 0.000 0.246 331 V C 2.326 178.167 176.094 -0.422 0.000 1.049 331 V CA 2.132 64.178 62.300 -0.424 0.000 1.024 331 V CB -0.831 30.635 31.823 -0.595 0.000 0.648 331 V HN 0.616 nan 8.190 nan 0.000 0.447 332 G N -0.936 107.637 108.800 -0.378 0.000 2.432 332 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 332 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 332 G C 1.684 176.540 174.900 -0.074 0.000 1.135 332 G CA 0.611 45.600 45.100 -0.185 0.000 0.767 332 G HN 0.332 nan 8.290 nan 0.000 0.550 333 K N 0.713 121.060 120.400 -0.087 0.000 2.228 333 K HA 0.175 4.496 4.320 0.001 0.000 0.202 333 K C 2.775 179.346 176.600 -0.048 0.000 1.051 333 K CA 0.922 57.179 56.287 -0.049 0.000 0.960 333 K CB -0.196 32.276 32.500 -0.047 0.000 0.743 333 K HN 0.231 nan 8.250 nan 0.000 0.458 334 A N 0.595 123.371 122.820 -0.073 0.000 1.930 334 A HA -0.082 4.238 4.320 0.001 0.000 0.217 334 A C 2.292 179.853 177.584 -0.038 0.000 1.175 334 A CA 1.253 53.260 52.037 -0.051 0.000 0.627 334 A CB -0.434 18.530 19.000 -0.060 0.000 0.815 334 A HN 0.079 nan 8.150 nan 0.000 0.443 335 V N 0.396 120.281 119.914 -0.048 0.000 2.358 335 V HA -0.191 3.929 4.120 0.001 0.000 0.246 335 V C 2.508 178.613 176.094 0.018 0.000 1.047 335 V CA 2.002 64.304 62.300 0.004 0.000 1.035 335 V CB -0.711 31.149 31.823 0.062 0.000 0.658 335 V HN 0.500 nan 8.190 nan 0.000 0.452 336 E N 0.236 120.444 120.200 0.014 0.000 2.077 336 E HA -0.232 4.118 4.350 0.001 0.000 0.193 336 E C 2.172 178.767 176.600 -0.009 0.000 0.989 336 E CA 1.229 57.635 56.400 0.010 0.000 0.800 336 E CB -0.228 29.478 29.700 0.010 0.000 0.746 336 E HN 0.692 nan 8.360 nan 0.000 0.452 337 E N 0.512 120.702 120.200 -0.016 0.000 2.204 337 E HA -0.092 4.259 4.350 0.001 0.000 0.194 337 E C 1.954 178.532 176.600 -0.036 0.000 0.989 337 E CA 0.790 57.176 56.400 -0.024 0.000 0.824 337 E CB -0.015 29.673 29.700 -0.020 0.000 0.756 337 E HN 0.207 nan 8.360 nan 0.000 0.477 338 A N 1.641 124.444 122.820 -0.028 0.000 1.898 338 A HA -0.197 4.124 4.320 0.001 0.000 0.216 338 A C 1.895 179.443 177.584 -0.059 0.000 1.181 338 A CA 1.251 53.266 52.037 -0.037 0.000 0.620 338 A CB -0.210 18.784 19.000 -0.010 0.000 0.819 338 A HN 0.038 nan 8.150 nan 0.000 0.442 339 K N -0.249 120.130 120.400 -0.034 0.000 2.147 339 K HA -0.046 4.274 4.320 0.001 0.000 0.205 339 K C 1.821 178.384 176.600 -0.061 0.000 1.049 339 K CA 1.106 57.372 56.287 -0.035 0.000 0.936 339 K CB -0.245 32.250 32.500 -0.009 0.000 0.722 339 K HN 0.434 nan 8.250 nan 0.000 0.446 340 A N 0.681 123.463 122.820 -0.064 0.000 2.251 340 A HA -0.011 4.309 4.320 0.001 0.000 0.209 340 A C 1.927 179.451 177.584 -0.101 0.000 1.187 340 A CA 0.699 52.698 52.037 -0.062 0.000 0.823 340 A CB -0.244 18.732 19.000 -0.041 0.000 0.846 340 A HN 0.163 nan 8.150 nan 0.000 0.486 341 T N -1.269 113.182 114.554 -0.172 0.000 2.904 341 T HA 0.202 4.553 4.350 0.001 0.000 0.267 341 T C 1.571 176.070 174.700 -0.335 0.000 1.059 341 T CA 2.129 64.048 62.100 -0.303 0.000 1.137 341 T CB -0.255 68.338 68.868 -0.459 0.000 0.879 341 T HN 1.403 nan 8.240 nan 0.000 0.467 342 G N 0.412 109.069 108.800 -0.239 0.000 2.213 342 G HA2 -0.232 3.728 3.960 0.001 0.000 0.236 342 G HA3 -0.232 3.728 3.960 0.001 0.000 0.236 342 G C 0.668 175.541 174.900 -0.045 0.000 0.991 342 G CA 0.585 45.620 45.100 -0.107 0.000 0.629 342 G HN 0.749 nan 8.290 nan 0.000 0.517 343 H N -0.932 118.145 119.070 0.011 0.000 3.233 343 H HA 0.489 5.046 4.556 0.001 0.000 0.263 343 H C 0.722 176.062 175.328 0.020 0.000 1.168 343 H CA -0.348 55.708 56.048 0.014 0.000 1.159 343 H CB 0.575 30.342 29.762 0.009 0.000 1.593 343 H HN 0.356 nan 8.280 nan 0.000 0.580 344 I N 2.798 123.387 120.570 0.031 0.000 2.365 344 I HA 0.178 4.349 4.170 0.001 0.000 0.291 344 I C -0.159 175.987 176.117 0.048 0.000 1.004 344 I CA -0.376 60.968 61.300 0.073 0.000 1.311 344 I CB 1.531 39.551 38.000 0.034 0.000 1.401 344 I HN -0.025 nan 8.210 nan 0.000 0.491 345 K N 5.099 125.538 120.400 0.065 0.000 2.185 345 K HA 0.450 4.771 4.320 0.001 0.000 0.269 345 K C -0.913 175.709 176.600 0.036 0.000 0.987 345 K CA -0.743 55.571 56.287 0.046 0.000 0.865 345 K CB 2.090 34.621 32.500 0.052 0.000 1.090 345 K HN 0.308 nan 8.250 nan 0.000 0.450 346 V N 5.947 125.876 119.914 0.026 0.000 2.397 346 V HA -0.024 4.096 4.120 0.001 0.000 0.262 346 V C 1.515 177.616 176.094 0.012 0.000 1.047 346 V CA -0.003 62.312 62.300 0.024 0.000 1.003 346 V CB 0.143 31.978 31.823 0.021 0.000 1.037 346 V HN 0.750 nan 8.190 nan 0.000 0.480 347 I N 2.993 123.568 120.570 0.009 0.000 2.333 347 I HA 0.023 4.193 4.170 0.001 0.000 0.246 347 I C 1.128 177.233 176.117 -0.019 0.000 1.106 347 I CA 1.373 62.667 61.300 -0.010 0.000 1.411 347 I CB -0.354 37.630 38.000 -0.026 0.000 1.082 347 I HN 0.699 nan 8.210 nan 0.000 0.420 348 T N -1.110 113.437 114.554 -0.012 0.000 2.840 348 T HA 0.527 4.878 4.350 0.001 0.000 0.317 348 T C -0.041 174.651 174.700 -0.013 0.000 1.401 348 T CA 0.346 62.429 62.100 -0.027 0.000 1.028 348 T CB 1.512 70.348 68.868 -0.053 0.000 1.317 348 T HN 0.624 nan 8.240 nan 0.000 0.495 349 G N 1.902 110.679 108.800 -0.038 0.000 2.509 349 G HA2 0.278 4.239 3.960 0.001 0.000 0.259 349 G HA3 0.278 4.239 3.960 0.001 0.000 0.259 349 G C 0.997 175.869 174.900 -0.046 0.000 1.169 349 G CA 1.029 46.097 45.100 -0.053 0.000 0.953 349 G HN 2.506 nan 8.290 nan 0.000 0.563 350 G N -0.634 108.163 108.800 -0.006 0.000 2.182 350 G HA2 0.149 4.109 3.960 0.001 0.000 0.248 350 G HA3 0.149 4.109 3.960 0.001 0.000 0.248 350 G C -0.063 174.798 174.900 -0.064 0.000 1.042 350 G CA 1.768 46.905 45.100 0.062 0.000 0.775 350 G HN 1.403 nan 8.290 nan 0.000 0.501 351 E N -0.935 118.980 120.200 -0.475 0.000 2.392 351 E HA 0.359 4.710 4.350 0.001 0.000 0.279 351 E C -0.262 175.817 176.600 -0.869 0.000 0.964 351 E CA -1.089 55.043 56.400 -0.446 0.000 0.777 351 E CB 1.524 31.086 29.700 -0.231 0.000 1.249 351 E HN 0.259 nan 8.360 nan 0.000 0.449 352 K N 1.695 121.899 120.400 -0.327 0.000 2.401 352 K HA 0.165 4.486 4.320 0.001 0.000 0.278 352 K C 0.125 176.655 176.600 -0.117 0.000 1.018 352 K CA -0.046 56.173 56.287 -0.113 0.000 0.981 352 K CB 0.752 33.302 32.500 0.083 0.000 0.933 352 K HN 0.255 nan 8.250 nan 0.000 0.477 353 R N 2.227 122.699 120.500 -0.048 0.000 2.539 353 R HA 0.053 4.394 4.340 0.001 0.000 0.275 353 R C -0.324 175.972 176.300 -0.007 0.000 1.077 353 R CA -0.266 55.809 56.100 -0.042 0.000 1.097 353 R CB 0.646 30.937 30.300 -0.016 0.000 1.018 353 R HN 0.456 nan 8.270 nan 0.000 0.483 354 K N 1.615 121.994 120.400 -0.035 0.000 2.436 354 K HA 0.244 4.564 4.320 0.001 0.000 0.275 354 K C 0.120 176.709 176.600 -0.017 0.000 0.999 354 K CA 0.824 57.098 56.287 -0.022 0.000 0.980 354 K CB 0.861 33.338 32.500 -0.038 0.000 0.919 354 K HN 0.898 nan 8.250 nan 0.000 0.484 355 G N 1.692 110.495 108.800 0.004 0.000 2.408 355 G HA2 -0.154 3.806 3.960 0.001 0.000 0.682 355 G HA3 -0.154 3.806 3.960 0.001 0.000 0.682 355 G C -1.278 173.643 174.900 0.036 0.000 1.303 355 G CA -1.031 44.073 45.100 0.007 0.000 0.966 355 G HN 0.542 nan 8.290 nan 0.000 0.560 356 N N 0.188 118.901 118.700 0.022 0.000 2.458 356 N HA 0.735 5.476 4.740 0.001 0.000 0.271 356 N C 0.692 176.184 175.510 -0.030 0.000 1.210 356 N CA 1.052 54.102 53.050 0.000 0.000 0.978 356 N CB 1.214 39.694 38.487 -0.010 0.000 1.206 356 N HN 2.290 nan 8.380 nan 0.000 0.536 357 G N -0.251 108.404 108.800 -0.242 0.000 2.712 357 G HA2 -0.199 3.762 3.960 0.001 0.000 0.686 357 G HA3 -0.199 3.762 3.960 0.001 0.000 0.686 357 G C -1.411 173.290 174.900 -0.331 0.000 1.321 357 G CA -0.679 44.138 45.100 -0.471 0.000 0.813 357 G HN 0.481 nan 8.290 nan 0.000 0.599 358 Y N -0.091 120.135 120.300 -0.123 0.000 2.783 358 Y HA 0.505 5.055 4.550 0.001 0.000 0.382 358 Y C 0.514 176.346 175.900 -0.112 0.000 1.076 358 Y CA -1.375 56.666 58.100 -0.098 0.000 1.530 358 Y CB -0.250 38.134 38.460 -0.127 0.000 1.546 358 Y HN 0.469 nan 8.280 nan 0.000 0.537 359 Y N 0.212 120.582 120.300 0.117 0.000 2.336 359 Y HA 0.285 4.836 4.550 0.001 0.000 0.335 359 Y C -0.187 175.795 175.900 0.136 0.000 1.046 359 Y CA -0.768 57.392 58.100 0.100 0.000 1.198 359 Y CB 0.546 39.022 38.460 0.026 0.000 1.182 359 Y HN 0.334 nan 8.280 nan 0.000 0.502 360 Y N 2.103 122.512 120.300 0.180 0.000 2.468 360 Y HA 0.702 5.252 4.550 0.001 0.000 0.342 360 Y C -0.215 175.755 175.900 0.118 0.000 1.021 360 Y CA -1.499 56.669 58.100 0.114 0.000 1.079 360 Y CB 1.172 39.669 38.460 0.063 0.000 1.226 360 Y HN 0.696 nan 8.280 nan 0.000 0.460 361 A N 7.329 129.923 122.820 -0.377 0.000 2.477 361 A HA 0.357 4.677 4.320 0.001 0.000 0.246 361 A C -2.543 175.073 177.584 0.052 0.000 1.078 361 A CA -1.440 50.497 52.037 -0.166 0.000 0.770 361 A CB -0.639 18.203 19.000 -0.263 0.000 1.011 361 A HN 0.514 nan 8.150 nan 0.000 0.494 362 P HA 0.137 nan 4.420 nan 0.000 0.267 362 P C -0.445 176.924 177.300 0.114 0.000 1.209 362 P CA 0.487 63.649 63.100 0.104 0.000 0.763 362 P CB 0.547 32.129 31.700 -0.196 0.000 0.816 363 T N 4.285 119.057 114.554 0.363 0.000 2.861 363 T HA 0.507 4.857 4.350 0.001 0.000 0.287 363 T C -0.663 174.192 174.700 0.260 0.000 1.003 363 T CA -0.371 61.883 62.100 0.256 0.000 0.977 363 T CB 1.041 70.097 68.868 0.312 0.000 0.996 363 T HN 0.227 nan 8.240 nan 0.000 0.448 364 L N 4.336 125.642 121.223 0.138 0.000 2.376 364 L HA 0.659 4.999 4.340 0.001 0.000 0.275 364 L C -1.672 175.231 176.870 0.056 0.000 0.987 364 L CA -0.529 54.373 54.840 0.103 0.000 0.828 364 L CB 1.004 43.100 42.059 0.061 0.000 1.249 364 L HN 0.591 nan 8.230 nan 0.000 0.409 365 L N 5.110 126.361 121.223 0.047 0.000 2.322 365 L HA 0.915 5.255 4.340 0.001 0.000 0.281 365 L C -0.156 176.737 176.870 0.040 0.000 1.014 365 L CA -0.573 54.292 54.840 0.041 0.000 0.815 365 L CB 1.754 43.837 42.059 0.040 0.000 1.247 365 L HN 0.777 nan 8.230 nan 0.000 0.421 366 A N 1.377 124.231 122.820 0.057 0.000 2.384 366 A HA 0.772 5.093 4.320 0.001 0.000 0.312 366 A C 0.671 178.352 177.584 0.162 0.000 1.113 366 A CA 0.093 52.188 52.037 0.097 0.000 0.779 366 A CB 1.540 20.570 19.000 0.050 0.000 1.307 366 A HN 1.011 nan 8.150 nan 0.000 0.436 367 G N -0.823 108.131 108.800 0.256 0.000 2.143 367 G HA2 0.178 4.139 3.960 0.001 0.000 0.248 367 G HA3 0.178 4.139 3.960 0.001 0.000 0.248 367 G C 0.618 175.601 174.900 0.139 0.000 0.991 367 G CA 0.525 45.738 45.100 0.189 0.000 0.689 367 G HN 2.181 nan 8.290 nan 0.000 0.522 368 A N -0.240 122.653 122.820 0.120 0.000 2.462 368 A HA 0.683 5.004 4.320 0.001 0.000 0.243 368 A C 0.651 178.232 177.584 -0.005 0.000 1.076 368 A CA 0.190 52.280 52.037 0.088 0.000 0.773 368 A CB 0.405 19.427 19.000 0.037 0.000 1.010 368 A HN 0.815 nan 8.150 nan 0.000 0.493 369 L N 1.176 122.376 121.223 -0.039 0.000 2.334 369 L HA 0.253 4.593 4.340 0.001 0.000 0.270 369 L C 1.535 178.271 176.870 -0.223 0.000 1.018 369 L CA -0.687 54.051 54.840 -0.170 0.000 0.811 369 L CB 1.472 43.398 42.059 -0.223 0.000 1.271 369 L HN 0.983 nan 8.230 nan 0.000 0.443 370 Q N 0.857 120.384 119.800 -0.455 0.000 2.197 370 Q HA -0.242 4.098 4.340 0.001 0.000 0.211 370 Q C 0.882 176.732 176.000 -0.250 0.000 0.993 370 Q CA 2.097 57.585 55.803 -0.525 0.000 0.883 370 Q CB -0.013 27.982 28.738 -1.238 0.000 0.916 370 Q HN 0.575 nan 8.270 nan 0.000 0.418 371 D N -0.001 120.294 120.400 -0.175 0.000 2.349 371 D HA 0.044 4.684 4.640 0.001 0.000 0.214 371 D C -0.548 175.738 176.300 -0.023 0.000 1.063 371 D CA 0.054 54.008 54.000 -0.077 0.000 0.847 371 D CB -0.040 40.729 40.800 -0.052 0.000 0.933 371 D HN 0.278 nan 8.370 nan 0.000 0.513 372 D N 0.262 120.656 120.400 -0.011 0.000 2.399 372 D HA 0.138 4.778 4.640 0.001 0.000 0.241 372 D C 1.322 177.632 176.300 0.018 0.000 1.133 372 D CA -0.050 53.968 54.000 0.030 0.000 0.890 372 D CB 1.343 42.186 40.800 0.071 0.000 1.201 372 D HN -0.054 nan 8.370 nan 0.000 0.432 373 A N 2.316 125.148 122.820 0.021 0.000 1.940 373 A HA -0.207 4.113 4.320 0.001 0.000 0.219 373 A C 2.032 179.635 177.584 0.032 0.000 1.176 373 A CA 0.934 52.988 52.037 0.027 0.000 0.631 373 A CB -0.462 18.550 19.000 0.020 0.000 0.814 373 A HN 0.551 nan 8.150 nan 0.000 0.446 374 I N -0.578 120.003 120.570 0.019 0.000 2.454 374 I HA -0.147 4.024 4.170 0.001 0.000 0.254 374 I C 2.021 178.144 176.117 0.010 0.000 1.156 374 I CA 1.216 62.523 61.300 0.013 0.000 1.433 374 I CB 0.049 38.051 38.000 0.005 0.000 1.082 374 I HN 0.111 nan 8.210 nan 0.000 0.432 375 V N -0.413 119.504 119.914 0.006 0.000 2.685 375 V HA -0.039 4.081 4.120 0.001 0.000 0.244 375 V C 2.111 178.243 176.094 0.063 0.000 1.054 375 V CA 0.890 63.182 62.300 -0.013 0.000 1.076 375 V CB -0.329 31.456 31.823 -0.062 0.000 0.725 375 V HN 0.348 nan 8.190 nan 0.000 0.467 376 Q N 0.270 120.120 119.800 0.083 0.000 2.402 376 Q HA 0.160 4.500 4.340 0.001 0.000 0.206 376 Q C 0.446 176.588 176.000 0.238 0.000 0.919 376 Q CA 0.506 56.395 55.803 0.143 0.000 0.923 376 Q CB 0.342 29.127 28.738 0.078 0.000 1.048 376 Q HN 0.529 nan 8.270 nan 0.000 0.515 377 K N 1.236 121.752 120.400 0.193 0.000 2.323 377 K HA 0.251 4.572 4.320 0.001 0.000 0.259 377 K C -0.507 176.195 176.600 0.171 0.000 0.947 377 K CA -0.427 56.004 56.287 0.241 0.000 0.819 377 K CB 2.064 34.649 32.500 0.142 0.000 1.109 377 K HN -0.044 nan 8.250 nan 0.000 0.429 378 E N 2.152 122.443 120.200 0.152 0.000 2.558 378 E HA -0.073 4.278 4.350 0.001 0.000 0.255 378 E C 0.180 176.846 176.600 0.111 0.000 0.968 378 E CA -0.029 56.379 56.400 0.014 0.000 0.939 378 E CB 0.653 30.282 29.700 -0.119 0.000 0.921 378 E HN 0.349 nan 8.360 nan 0.000 0.477 379 V N 5.135 125.125 119.914 0.126 0.000 2.788 379 V HA -0.025 4.095 4.120 0.001 0.000 0.241 379 V C 0.656 176.927 176.094 0.296 0.000 1.083 379 V CA 0.315 62.693 62.300 0.130 0.000 1.103 379 V CB -0.367 31.474 31.823 0.030 0.000 0.800 379 V HN 0.955 nan 8.190 nan 0.000 0.476 380 F N 0.651 120.648 119.950 0.079 0.000 3.023 380 F HA -0.078 4.449 4.527 0.001 0.000 0.297 380 F C 0.502 176.459 175.800 0.262 0.000 0.858 380 F CA 0.685 58.801 58.000 0.192 0.000 1.222 380 F CB -1.129 38.043 39.000 0.286 0.000 1.263 380 F HN 0.281 nan 8.300 nan 0.000 0.565 381 G N -0.590 108.275 108.800 0.108 0.000 2.766 381 G HA2 0.666 4.626 3.960 0.001 0.000 0.288 381 G HA3 0.666 4.626 3.960 0.001 0.000 0.288 381 G C -2.964 171.927 174.900 -0.017 0.000 1.408 381 G CA -0.853 44.264 45.100 0.027 0.000 0.852 381 G HN -0.158 nan 8.290 nan 0.000 0.487 382 P HA 0.291 nan 4.420 nan 0.000 0.231 382 P C -0.714 176.666 177.300 0.132 0.000 1.756 382 P CA 0.003 63.192 63.100 0.148 0.000 0.990 382 P CB 0.152 32.080 31.700 0.380 0.000 1.973 383 V N 1.754 121.598 119.914 -0.117 0.000 2.668 383 V HA 0.344 4.464 4.120 0.001 0.000 0.304 383 V C -0.125 175.882 176.094 -0.146 0.000 1.071 383 V CA -0.759 61.527 62.300 -0.023 0.000 0.894 383 V CB 2.792 34.608 31.823 -0.012 0.000 1.008 383 V HN -0.059 nan 8.190 nan 0.000 0.425 384 V N 3.420 123.290 119.914 -0.073 0.000 2.709 384 V HA 0.722 4.843 4.120 0.001 0.000 0.308 384 V C 0.020 176.098 176.094 -0.026 0.000 1.062 384 V CA -0.476 61.768 62.300 -0.094 0.000 0.901 384 V CB 2.401 34.152 31.823 -0.120 0.000 1.003 384 V HN 0.997 nan 8.190 nan 0.000 0.425 385 S N 3.388 119.059 115.700 -0.050 0.000 2.578 385 S HA 0.884 5.355 4.470 0.001 0.000 0.301 385 S C -0.855 173.715 174.600 -0.051 0.000 1.091 385 S CA -0.724 57.455 58.200 -0.035 0.000 1.032 385 S CB 1.980 65.156 63.200 -0.040 0.000 1.064 385 S HN 0.547 nan 8.310 nan 0.000 0.508 386 V N 1.705 121.617 119.914 -0.002 0.000 2.531 386 V HA 0.578 4.699 4.120 0.001 0.000 0.301 386 V C -0.364 175.834 176.094 0.173 0.000 1.034 386 V CA -0.549 61.782 62.300 0.052 0.000 0.865 386 V CB 1.489 33.322 31.823 0.018 0.000 0.995 386 V HN 1.027 nan 8.190 nan 0.000 0.424 387 T N 7.064 121.705 114.554 0.145 0.000 2.786 387 T HA 0.478 4.829 4.350 0.001 0.000 0.283 387 T C -2.771 172.118 174.700 0.316 0.000 0.992 387 T CA -1.279 60.919 62.100 0.165 0.000 0.954 387 T CB 2.055 70.918 68.868 -0.009 0.000 0.934 387 T HN 0.476 nan 8.240 nan 0.000 0.440 388 P HA 0.333 nan 4.420 nan 0.000 0.276 388 P C -0.929 176.557 177.300 0.310 0.000 1.230 388 P CA -0.427 62.633 63.100 -0.066 0.000 0.776 388 P CB 0.262 31.599 31.700 -0.604 0.000 0.888 389 F N 0.676 120.725 119.950 0.165 0.000 2.611 389 F HA 0.586 5.113 4.527 0.001 0.000 0.324 389 F C 0.434 176.223 175.800 -0.019 0.000 1.061 389 F CA -0.872 57.187 58.000 0.097 0.000 0.954 389 F CB 0.989 40.011 39.000 0.037 0.000 1.301 389 F HN 0.074 nan 8.300 nan 0.000 0.482 390 D N -0.040 120.409 120.400 0.082 0.000 2.369 390 D HA 0.030 4.671 4.640 0.001 0.000 0.231 390 D C -0.255 176.107 176.300 0.103 0.000 0.967 390 D CA 0.819 54.820 54.000 0.002 0.000 0.905 390 D CB 0.150 40.945 40.800 -0.008 0.000 1.044 390 D HN 0.683 nan 8.370 nan 0.000 0.487 391 N N 0.017 118.860 118.700 0.239 0.000 2.525 391 N HA 0.035 4.776 4.740 0.001 0.000 0.270 391 N C 0.474 176.145 175.510 0.268 0.000 1.321 391 N CA -0.450 52.753 53.050 0.256 0.000 0.797 391 N CB 2.886 41.431 38.487 0.096 0.000 1.529 391 N HN -0.206 nan 8.380 nan 0.000 0.491 392 E N 0.565 120.973 120.200 0.347 0.000 2.058 392 E HA -0.305 4.045 4.350 0.001 0.000 0.194 392 E C 1.401 178.028 176.600 0.046 0.000 0.997 392 E CA 1.959 58.556 56.400 0.328 0.000 0.801 392 E CB 0.048 29.904 29.700 0.260 0.000 0.746 392 E HN 0.750 nan 8.360 nan 0.000 0.450 393 E N 0.433 120.631 120.200 -0.004 0.000 2.072 393 E HA -0.261 4.089 4.350 0.001 0.000 0.191 393 E C 2.233 178.729 176.600 -0.173 0.000 0.985 393 E CA 1.393 57.754 56.400 -0.066 0.000 0.801 393 E CB -0.199 29.471 29.700 -0.051 0.000 0.750 393 E HN 0.322 nan 8.360 nan 0.000 0.452 394 Q N 0.313 119.958 119.800 -0.257 0.000 2.050 394 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 394 Q C 2.308 177.878 176.000 -0.717 0.000 0.980 394 Q CA 1.887 57.380 55.803 -0.517 0.000 0.840 394 Q CB -0.184 28.205 28.738 -0.582 0.000 0.898 394 Q HN 0.365 nan 8.270 nan 0.000 0.424 395 V N 0.110 119.634 119.914 -0.650 0.000 2.515 395 V HA -0.163 3.957 4.120 0.001 0.000 0.250 395 V C 2.218 178.013 176.094 -0.497 0.000 1.058 395 V CA 1.329 63.159 62.300 -0.785 0.000 1.064 395 V CB -0.013 30.903 31.823 -1.512 0.000 0.675 395 V HN 0.320 nan 8.190 nan 0.000 0.461 396 V N 1.081 120.815 119.914 -0.300 0.000 2.343 396 V HA -0.210 3.910 4.120 0.001 0.000 0.247 396 V C 2.369 178.417 176.094 -0.077 0.000 1.051 396 V CA 2.314 64.534 62.300 -0.133 0.000 1.036 396 V CB -0.968 30.826 31.823 -0.049 0.000 0.654 396 V HN 0.600 nan 8.190 nan 0.000 0.451 397 N N -0.894 117.743 118.700 -0.105 0.000 2.120 397 N HA -0.173 4.568 4.740 0.001 0.000 0.188 397 N C 1.519 177.085 175.510 0.093 0.000 1.024 397 N CA 1.375 54.409 53.050 -0.025 0.000 0.852 397 N CB -0.382 38.073 38.487 -0.053 0.000 1.003 397 N HN 0.505 nan 8.380 nan 0.000 0.424 398 W N 1.642 122.843 121.300 -0.164 0.000 2.355 398 W HA 0.085 4.746 4.660 0.001 0.000 0.309 398 W C 2.534 178.974 176.519 -0.132 0.000 1.206 398 W CA 0.847 58.090 57.345 -0.170 0.000 1.284 398 W CB -1.216 28.050 29.460 -0.323 0.000 1.145 398 W HN 0.065 nan 8.180 nan 0.000 0.502 399 A N 0.389 123.201 122.820 -0.013 0.000 1.902 399 A HA -0.200 4.120 4.320 0.001 0.000 0.217 399 A C 1.811 179.582 177.584 0.311 0.000 1.181 399 A CA 1.820 53.925 52.037 0.113 0.000 0.623 399 A CB -0.851 18.152 19.000 0.005 0.000 0.818 399 A HN 0.241 nan 8.150 nan 0.000 0.443 400 N N 0.215 119.039 118.700 0.207 0.000 2.494 400 N HA -0.054 4.686 4.740 0.001 0.000 0.182 400 N C -0.073 175.493 175.510 0.094 0.000 1.076 400 N CA 0.758 53.897 53.050 0.147 0.000 0.908 400 N CB -0.189 38.342 38.487 0.074 0.000 0.967 400 N HN 0.433 nan 8.380 nan 0.000 0.449 401 D N 0.318 120.797 120.400 0.132 0.000 2.896 401 D HA 0.140 4.780 4.640 0.001 0.000 0.240 401 D C -0.854 175.509 176.300 0.106 0.000 1.193 401 D CA -0.067 53.994 54.000 0.102 0.000 0.983 401 D CB -0.165 40.712 40.800 0.128 0.000 1.074 401 D HN -0.122 nan 8.370 nan 0.000 0.496 402 S N 0.433 116.185 115.700 0.087 0.000 2.595 402 S HA 0.230 4.700 4.470 0.001 0.000 0.281 402 S C 0.372 174.959 174.600 -0.022 0.000 1.117 402 S CA -0.688 57.574 58.200 0.103 0.000 0.873 402 S CB 1.456 64.817 63.200 0.269 0.000 1.108 402 S HN 0.329 nan 8.310 nan 0.000 0.477 403 Q N 1.327 121.047 119.800 -0.134 0.000 2.319 403 Q HA 0.167 4.508 4.340 0.001 0.000 0.202 403 Q C -0.818 174.989 176.000 -0.321 0.000 0.896 403 Q CA 0.076 55.729 55.803 -0.250 0.000 0.942 403 Q CB -0.096 28.461 28.738 -0.302 0.000 1.083 403 Q HN 0.647 nan 8.270 nan 0.000 0.510 404 Y N -0.256 120.051 120.300 0.011 0.000 2.432 404 Y HA 0.579 5.130 4.550 0.001 0.000 0.322 404 Y C 1.179 177.005 175.900 -0.123 0.000 1.246 404 Y CA -0.258 57.854 58.100 0.020 0.000 1.268 404 Y CB 1.757 40.303 38.460 0.143 0.000 1.276 404 Y HN 0.057 nan 8.280 nan 0.000 0.499 405 G N 0.313 109.156 108.800 0.071 0.000 5.070 405 G HA2 0.105 4.066 3.960 0.001 0.000 0.249 405 G HA3 0.105 4.066 3.960 0.001 0.000 0.249 405 G C 0.123 175.020 174.900 -0.004 0.000 0.931 405 G CA -0.092 44.873 45.100 -0.226 0.000 0.753 405 G HN 0.535 nan 8.290 nan 0.000 0.320 406 L N 0.724 122.065 121.223 0.197 0.000 2.121 406 L HA 0.819 5.159 4.340 0.001 0.000 0.200 406 L C 1.027 177.933 176.870 0.060 0.000 1.077 406 L CA 1.828 56.709 54.840 0.069 0.000 0.766 406 L CB 0.033 42.132 42.059 0.067 0.000 0.931 406 L HN 0.276 nan 8.230 nan 0.000 0.452 407 A N -1.957 120.970 122.820 0.178 0.000 2.593 407 A HA 0.801 5.122 4.320 0.001 0.000 0.290 407 A C -0.972 176.588 177.584 -0.041 0.000 1.126 407 A CA 0.188 52.212 52.037 -0.022 0.000 0.695 407 A CB 1.208 20.245 19.000 0.062 0.000 1.290 407 A HN 0.396 nan 8.150 nan 0.000 0.414 408 S N -0.792 114.840 115.700 -0.113 0.000 2.633 408 S HA 0.801 5.271 4.470 0.001 0.000 0.271 408 S C -0.758 173.936 174.600 0.157 0.000 1.112 408 S CA 0.124 58.293 58.200 -0.052 0.000 0.828 408 S CB 0.711 63.669 63.200 -0.403 0.000 1.086 408 S HN 2.480 nan 8.310 nan 0.000 0.461 409 S N -0.258 115.649 115.700 0.346 0.000 2.579 409 S HA 0.845 5.315 4.470 0.001 0.000 0.272 409 S C -1.421 173.403 174.600 0.373 0.000 1.141 409 S CA -0.592 57.843 58.200 0.391 0.000 0.843 409 S CB 1.353 64.961 63.200 0.679 0.000 1.122 409 S HN 2.057 nan 8.310 nan 0.000 0.468 410 V N 1.743 121.801 119.914 0.240 0.000 2.588 410 V HA 0.784 4.905 4.120 0.001 0.000 0.304 410 V C -2.186 174.063 176.094 0.258 0.000 1.042 410 V CA -0.559 61.935 62.300 0.324 0.000 0.877 410 V CB 1.358 33.329 31.823 0.247 0.000 0.996 410 V HN 0.935 nan 8.190 nan 0.000 0.425 411 W N 4.276 125.747 121.300 0.285 0.000 2.424 411 W HA 0.781 5.441 4.660 0.001 0.000 0.318 411 W C 0.030 176.736 176.519 0.311 0.000 1.016 411 W CA -0.375 57.122 57.345 0.253 0.000 1.268 411 W CB 1.847 31.436 29.460 0.216 0.000 1.297 411 W HN 0.684 nan 8.180 nan 0.000 0.428 412 T N 1.706 116.490 114.554 0.383 0.000 2.893 412 T HA 0.210 4.561 4.350 0.001 0.000 0.337 412 T C 0.460 175.256 174.700 0.159 0.000 1.587 412 T CA -0.627 61.642 62.100 0.282 0.000 1.066 412 T CB 1.375 70.359 68.868 0.193 0.000 1.414 412 T HN 0.441 nan 8.240 nan 0.000 0.488 413 K N 0.919 121.396 120.400 0.128 0.000 2.314 413 K HA 0.091 4.411 4.320 0.001 0.000 0.198 413 K C 0.109 176.742 176.600 0.055 0.000 1.045 413 K CA 0.125 56.466 56.287 0.091 0.000 0.988 413 K CB 0.097 32.653 32.500 0.093 0.000 0.783 413 K HN 0.555 nan 8.250 nan 0.000 0.484 414 D N 0.463 120.882 120.400 0.030 0.000 2.383 414 D HA -0.026 4.614 4.640 0.001 0.000 0.252 414 D C 1.158 177.471 176.300 0.022 0.000 1.166 414 D CA -0.191 53.812 54.000 0.006 0.000 0.879 414 D CB 1.237 42.013 40.800 -0.039 0.000 1.164 414 D HN -0.222 nan 8.370 nan 0.000 0.462 415 V N 3.851 123.789 119.914 0.040 0.000 2.295 415 V HA -0.097 4.023 4.120 0.001 0.000 0.246 415 V C 2.472 178.639 176.094 0.121 0.000 1.049 415 V CA 1.856 64.213 62.300 0.095 0.000 1.024 415 V CB -1.406 30.450 31.823 0.055 0.000 0.648 415 V HN 0.751 nan 8.190 nan 0.000 0.447 416 G N 0.135 108.958 108.800 0.038 0.000 2.553 416 G HA2 -0.361 3.600 3.960 0.001 0.000 0.218 416 G HA3 -0.361 3.600 3.960 0.001 0.000 0.218 416 G C 1.745 176.661 174.900 0.027 0.000 1.195 416 G CA 1.334 46.447 45.100 0.021 0.000 0.779 416 G HN 0.460 nan 8.290 nan 0.000 0.577 417 R N 0.599 121.075 120.500 -0.039 0.000 2.081 417 R HA 0.010 4.351 4.340 0.001 0.000 0.235 417 R C 2.921 179.179 176.300 -0.070 0.000 1.131 417 R CA 1.521 57.552 56.100 -0.116 0.000 0.960 417 R CB -0.460 29.668 30.300 -0.287 0.000 0.856 417 R HN 0.307 nan 8.270 nan 0.000 0.436 418 A N 0.604 123.407 122.820 -0.029 0.000 1.940 418 A HA -0.200 4.120 4.320 0.001 0.000 0.219 418 A C 1.938 179.453 177.584 -0.116 0.000 1.176 418 A CA 1.503 53.513 52.037 -0.045 0.000 0.631 418 A CB -0.796 18.178 19.000 -0.043 0.000 0.814 418 A HN 0.471 nan 8.150 nan 0.000 0.446 419 H N -0.863 118.192 119.070 -0.025 0.000 2.333 419 H HA -0.016 4.541 4.556 0.001 0.000 0.302 419 H C 2.425 177.741 175.328 -0.019 0.000 1.075 419 H CA 1.479 57.514 56.048 -0.022 0.000 1.348 419 H CB -0.126 29.622 29.762 -0.023 0.000 1.393 419 H HN 0.461 nan 8.280 nan 0.000 0.509 420 R N 0.276 120.824 120.500 0.080 0.000 2.112 420 R HA -0.132 4.209 4.340 0.001 0.000 0.242 420 R C 2.450 178.761 176.300 0.019 0.000 1.137 420 R CA 1.663 57.782 56.100 0.032 0.000 0.944 420 R CB -0.370 29.933 30.300 0.006 0.000 0.857 420 R HN 0.086 nan 8.270 nan 0.000 0.435 421 V N 0.172 120.095 119.914 0.016 0.000 2.453 421 V HA -0.183 3.937 4.120 0.001 0.000 0.247 421 V C 2.196 178.303 176.094 0.022 0.000 1.048 421 V CA 1.743 64.068 62.300 0.042 0.000 1.049 421 V CB -0.225 31.661 31.823 0.104 0.000 0.672 421 V HN 0.306 nan 8.190 nan 0.000 0.457 422 S N 0.505 116.193 115.700 -0.020 0.000 2.383 422 S HA -0.184 4.286 4.470 0.001 0.000 0.229 422 S C 2.203 176.783 174.600 -0.032 0.000 1.030 422 S CA 1.478 59.646 58.200 -0.053 0.000 1.002 422 S CB -0.445 62.672 63.200 -0.138 0.000 0.829 422 S HN 0.654 nan 8.310 nan 0.000 0.467 423 A N 1.507 124.319 122.820 -0.014 0.000 1.930 423 A HA -0.026 4.294 4.320 0.001 0.000 0.217 423 A C 2.134 179.717 177.584 -0.001 0.000 1.175 423 A CA 1.035 53.070 52.037 -0.004 0.000 0.627 423 A CB -0.296 18.713 19.000 0.014 0.000 0.815 423 A HN 0.402 nan 8.150 nan 0.000 0.443 424 R N -1.051 119.455 120.500 0.011 0.000 2.210 424 R HA 0.247 4.587 4.340 0.001 0.000 0.203 424 R C -0.104 176.218 176.300 0.037 0.000 1.010 424 R CA -0.177 55.932 56.100 0.016 0.000 1.008 424 R CB -0.220 30.090 30.300 0.017 0.000 0.923 424 R HN 0.379 nan 8.270 nan 0.000 0.469 425 L N 2.074 123.336 121.223 0.065 0.000 2.453 425 L HA -0.008 4.333 4.340 0.001 0.000 0.272 425 L C 0.435 177.388 176.870 0.138 0.000 1.182 425 L CA 0.413 55.349 54.840 0.160 0.000 0.858 425 L CB 0.731 42.897 42.059 0.179 0.000 1.120 425 L HN 0.080 nan 8.230 nan 0.000 0.474 426 Q N 3.775 123.641 119.800 0.110 0.000 3.041 426 Q HA 0.249 4.590 4.340 0.001 0.000 0.372 426 Q C -1.604 174.111 176.000 -0.475 0.000 1.241 426 Q CA -0.042 55.669 55.803 -0.153 0.000 1.010 426 Q CB 0.116 28.741 28.738 -0.189 0.000 1.467 426 Q HN 0.396 nan 8.270 nan 0.000 0.462 427 Y N -2.032 118.236 120.300 -0.054 0.000 2.457 427 Y HA 0.311 4.861 4.550 0.001 0.000 0.343 427 Y C 1.248 177.063 175.900 -0.143 0.000 0.994 427 Y CA -1.025 57.030 58.100 -0.076 0.000 1.031 427 Y CB 1.689 40.114 38.460 -0.059 0.000 1.246 427 Y HN 0.286 nan 8.280 nan 0.000 0.449 428 G N 0.768 109.531 108.800 -0.062 0.000 2.499 428 G HA2 -0.120 3.841 3.960 0.001 0.000 0.221 428 G HA3 -0.120 3.841 3.960 0.001 0.000 0.221 428 G C 0.269 175.040 174.900 -0.215 0.000 1.109 428 G CA 1.203 46.209 45.100 -0.156 0.000 0.749 428 G HN 0.765 nan 8.290 nan 0.000 0.568 429 C N -1.763 117.387 119.300 -0.250 0.000 3.082 429 C HA 0.788 5.248 4.460 0.001 0.000 0.324 429 C C -0.642 174.036 174.990 -0.521 0.000 1.210 429 C CA -0.731 58.020 59.018 -0.445 0.000 1.366 429 C CB 1.556 28.915 27.740 -0.636 0.000 1.756 429 C HN 0.036 nan 8.230 nan 0.000 0.485 430 T N 4.142 118.379 114.554 -0.529 0.000 2.879 430 T HA 0.560 4.910 4.350 0.001 0.000 0.290 430 T C -0.751 173.695 174.700 -0.423 0.000 0.993 430 T CA -0.062 61.804 62.100 -0.389 0.000 0.975 430 T CB 0.685 69.451 68.868 -0.170 0.000 0.981 430 T HN 0.750 nan 8.240 nan 0.000 0.439 431 W N 1.950 123.153 121.300 -0.161 0.000 2.436 431 W HA 0.646 5.307 4.660 0.001 0.000 0.347 431 W C -0.557 175.822 176.519 -0.234 0.000 1.136 431 W CA -0.848 56.373 57.345 -0.207 0.000 1.286 431 W CB 1.178 30.488 29.460 -0.251 0.000 1.253 431 W HN 0.243 nan 8.180 nan 0.000 0.617 432 V N 3.324 123.199 119.914 -0.066 0.000 2.407 432 V HA 0.110 4.230 4.120 0.001 0.000 0.291 432 V C 0.074 175.940 176.094 -0.379 0.000 1.018 432 V CA -0.952 61.228 62.300 -0.200 0.000 0.842 432 V CB 1.096 32.832 31.823 -0.144 0.000 0.996 432 V HN 0.685 nan 8.190 nan 0.000 0.426 433 N N 1.844 120.085 118.700 -0.765 0.000 2.725 433 N HA -0.169 4.572 4.740 0.001 0.000 0.249 433 N C 0.036 174.817 175.510 -1.215 0.000 1.103 433 N CA 1.652 54.062 53.050 -1.066 0.000 0.707 433 N CB -0.734 37.575 38.487 -0.296 0.000 1.043 433 N HN 0.902 nan 8.380 nan 0.000 0.553 434 T N -2.193 111.635 114.554 -1.211 0.000 2.658 434 T HA 0.527 4.877 4.350 0.001 0.000 0.306 434 T C -2.027 172.539 174.700 -0.224 0.000 1.544 434 T CA -0.411 61.397 62.100 -0.488 0.000 0.991 434 T CB 1.517 70.256 68.868 -0.215 0.000 1.774 434 T HN 0.392 nan 8.240 nan 0.000 0.479 435 H N -1.143 117.611 119.070 -0.527 0.000 2.967 435 H HA 0.567 5.123 4.556 0.001 0.000 0.318 435 H C 0.006 174.154 175.328 -1.967 0.000 1.375 435 H CA 0.259 55.765 56.048 -0.904 0.000 1.132 435 H CB 1.065 30.792 29.762 -0.058 0.000 1.848 435 H HN 0.715 nan 8.280 nan 0.000 0.524 436 F N -0.229 117.897 119.950 -3.040 0.000 2.558 436 F HA -0.276 4.251 4.527 0.001 0.000 0.554 436 F C -0.470 174.680 175.800 -1.084 0.000 0.517 436 F CA 0.728 57.679 58.000 -1.748 0.000 1.084 436 F CB -0.493 37.541 39.000 -1.609 0.000 1.821 436 F HN 0.406 nan 8.300 nan 0.000 0.262 437 M N 3.147 122.161 119.600 -0.976 0.000 2.251 437 M HA 0.343 4.823 4.480 0.001 0.000 0.346 437 M C -0.149 176.170 176.300 0.032 0.000 1.499 437 M CA 0.836 55.943 55.300 -0.321 0.000 1.128 437 M CB -0.022 32.436 32.600 -0.237 0.000 1.809 437 M HN 0.111 nan 8.290 nan 0.000 0.464 438 L N 4.203 125.395 121.223 -0.050 0.000 2.342 438 L HA 0.894 5.235 4.340 0.001 0.000 0.271 438 L C -0.255 176.577 176.870 -0.064 0.000 1.008 438 L CA -1.076 53.754 54.840 -0.017 0.000 0.818 438 L CB 2.179 44.196 42.059 -0.070 0.000 1.296 438 L HN 0.536 nan 8.230 nan 0.000 0.427 439 V N -1.872 117.979 119.914 -0.106 0.000 3.049 439 V HA 0.419 4.539 4.120 0.001 0.000 0.309 439 V C 0.407 176.324 176.094 -0.295 0.000 1.148 439 V CA -0.574 61.631 62.300 -0.157 0.000 0.990 439 V CB 1.615 33.360 31.823 -0.130 0.000 1.039 439 V HN 0.727 nan 8.190 nan 0.000 0.430 440 S N 1.083 116.553 115.700 -0.383 0.000 2.419 440 S HA -0.126 4.344 4.470 0.001 0.000 0.233 440 S C 1.442 175.300 174.600 -1.237 0.000 1.016 440 S CA 2.129 59.904 58.200 -0.709 0.000 0.974 440 S CB -0.200 62.623 63.200 -0.628 0.000 0.786 440 S HN 0.971 nan 8.310 nan 0.000 0.492 441 E N 0.224 119.874 120.200 -0.918 0.000 2.358 441 E HA 0.128 4.478 4.350 0.001 0.000 0.195 441 E C 0.127 176.477 176.600 -0.416 0.000 1.010 441 E CA 0.546 56.465 56.400 -0.801 0.000 0.856 441 E CB 0.092 29.601 29.700 -0.318 0.000 0.795 441 E HN 0.333 nan 8.360 nan 0.000 0.504 442 M N 1.633 121.034 119.600 -0.331 0.000 2.294 442 M HA 0.333 4.813 4.480 0.001 0.000 0.335 442 M C -2.482 173.732 176.300 -0.144 0.000 1.079 442 M CA -2.897 52.305 55.300 -0.163 0.000 0.982 442 M CB 1.212 33.737 32.600 -0.126 0.000 1.651 442 M HN -0.222 nan 8.290 nan 0.000 0.437 443 P HA 0.123 nan 4.420 nan 0.000 0.275 443 P C -1.021 176.240 177.300 -0.064 0.000 1.228 443 P CA 0.158 63.249 63.100 -0.015 0.000 0.786 443 P CB 0.760 32.500 31.700 0.066 0.000 0.927 444 H N 1.203 120.155 119.070 -0.197 0.000 2.547 444 H HA 0.611 5.167 4.556 0.001 0.000 0.342 444 H C -0.610 174.652 175.328 -0.110 0.000 1.048 444 H CA -0.411 55.528 56.048 -0.182 0.000 1.204 444 H CB 1.308 30.911 29.762 -0.265 0.000 1.493 444 H HN 0.760 nan 8.280 nan 0.000 0.511 445 G N 2.015 110.507 108.800 -0.514 0.000 2.361 445 G HA2 0.367 4.328 3.960 0.001 0.000 0.299 445 G HA3 0.367 4.328 3.960 0.001 0.000 0.299 445 G C -1.029 173.701 174.900 -0.284 0.000 1.544 445 G CA -0.243 44.650 45.100 -0.345 0.000 0.860 445 G HN 0.815 nan 8.290 nan 0.000 0.610 446 G N -1.184 107.491 108.800 -0.209 0.000 2.795 446 G HA2 0.824 4.785 3.960 0.001 0.000 0.267 446 G HA3 0.824 4.785 3.960 0.001 0.000 0.267 446 G C -0.253 174.576 174.900 -0.118 0.000 1.362 446 G CA 0.125 45.134 45.100 -0.151 0.000 1.048 446 G HN 1.150 nan 8.290 nan 0.000 0.547 447 Q N -2.201 117.533 119.800 -0.110 0.000 2.626 447 Q HA 0.635 4.976 4.340 0.001 0.000 0.300 447 Q C -0.397 175.547 176.000 -0.094 0.000 0.988 447 Q CA -0.976 54.774 55.803 -0.089 0.000 0.761 447 Q CB 1.818 30.486 28.738 -0.116 0.000 1.494 447 Q HN 0.565 nan 8.270 nan 0.000 0.439 448 K N -1.448 118.908 120.400 -0.075 0.000 1.860 448 K HA -0.261 4.060 4.320 0.001 0.000 0.320 448 K C 0.605 177.158 176.600 -0.078 0.000 1.716 448 K CA 1.223 57.461 56.287 -0.082 0.000 0.609 448 K CB -1.356 31.071 32.500 -0.122 0.000 0.915 448 K HN 0.482 nan 8.250 nan 0.000 0.766 449 L N 1.374 122.531 121.223 -0.110 0.000 2.599 449 L HA 0.044 4.384 4.340 0.001 0.000 0.230 449 L C 1.896 178.724 176.870 -0.070 0.000 1.141 449 L CA 1.186 55.956 54.840 -0.117 0.000 0.877 449 L CB -0.072 41.877 42.059 -0.183 0.000 1.009 449 L HN 0.410 nan 8.230 nan 0.000 0.447 450 S N -0.443 115.249 115.700 -0.013 0.000 2.507 450 S HA 0.239 4.709 4.470 0.001 0.000 0.235 450 S C 1.235 175.761 174.600 -0.123 0.000 0.988 450 S CA 0.686 58.900 58.200 0.023 0.000 0.944 450 S CB -0.294 62.946 63.200 0.066 0.000 0.762 450 S HN 0.671 nan 8.310 nan 0.000 0.526 451 G N 0.577 109.255 108.800 -0.204 0.000 2.445 451 G HA2 -0.056 3.904 3.960 0.001 0.000 0.212 451 G HA3 -0.056 3.904 3.960 0.001 0.000 0.212 451 G C -0.975 173.698 174.900 -0.379 0.000 1.217 451 G CA -0.311 44.503 45.100 -0.477 0.000 1.002 451 G HN 0.660 nan 8.290 nan 0.000 0.574 452 Y N -2.782 117.428 120.300 -0.149 0.000 2.750 452 Y HA 0.730 5.280 4.550 0.001 0.000 0.335 452 Y C 0.664 176.412 175.900 -0.253 0.000 1.252 452 Y CA -0.435 57.566 58.100 -0.165 0.000 1.064 452 Y CB 0.449 38.834 38.460 -0.124 0.000 1.321 452 Y HN 2.757 nan 8.280 nan 0.000 0.451 453 G N 1.216 110.060 108.800 0.073 0.000 2.758 453 G HA2 0.219 4.179 3.960 0.001 0.000 0.686 453 G HA3 0.219 4.179 3.960 0.001 0.000 0.686 453 G C -1.706 173.142 174.900 -0.087 0.000 1.389 453 G CA -0.710 44.367 45.100 -0.039 0.000 0.845 453 G HN 0.660 nan 8.290 nan 0.000 0.572 454 K N 0.706 121.206 120.400 0.167 0.000 2.422 454 K HA 0.502 4.823 4.320 0.001 0.000 0.251 454 K C -1.064 175.712 176.600 0.293 0.000 0.933 454 K CA -0.913 55.465 56.287 0.152 0.000 0.798 454 K CB 2.283 34.867 32.500 0.141 0.000 1.238 454 K HN 0.592 nan 8.250 nan 0.000 0.428 455 D N 2.588 123.082 120.400 0.157 0.000 2.181 455 D HA 0.448 5.089 4.640 0.001 0.000 0.248 455 D C 0.820 176.988 176.300 -0.219 0.000 1.020 455 D CA -0.106 53.895 54.000 0.002 0.000 0.891 455 D CB 1.061 41.751 40.800 -0.184 0.000 1.187 455 D HN 0.413 nan 8.370 nan 0.000 0.443 456 M N 0.167 119.691 119.600 -0.126 0.000 7.319 456 M HA -0.308 4.172 4.480 0.001 0.000 0.157 456 M C 0.249 176.541 176.300 -0.013 0.000 0.480 456 M CA 0.720 55.942 55.300 -0.130 0.000 1.311 456 M CB -1.140 31.132 32.600 -0.548 0.000 0.421 456 M HN 0.888 nan 8.290 nan 0.000 0.190 457 S N -1.138 114.385 115.700 -0.295 0.000 3.832 457 S HA -0.157 4.313 4.470 0.001 0.000 0.719 457 S C 0.331 175.028 174.600 0.163 0.000 1.382 457 S CA 0.325 58.449 58.200 -0.126 0.000 1.406 457 S CB -0.684 62.509 63.200 -0.013 0.000 0.425 457 S HN 0.904 nan 8.310 nan 0.000 0.834 458 L N 0.958 122.225 121.223 0.073 0.000 2.081 458 L HA -0.145 4.196 4.340 0.001 0.000 0.212 458 L C 2.422 179.249 176.870 -0.071 0.000 1.080 458 L CA 2.338 57.137 54.840 -0.068 0.000 0.754 458 L CB -0.713 41.192 42.059 -0.256 0.000 0.893 458 L HN 0.797 nan 8.230 nan 0.000 0.433 459 Y N -0.327 120.050 120.300 0.130 0.000 2.193 459 Y HA -0.209 4.341 4.550 0.001 0.000 0.285 459 Y C 2.511 178.517 175.900 0.177 0.000 1.166 459 Y CA 1.285 59.454 58.100 0.114 0.000 1.181 459 Y CB -1.228 37.270 38.460 0.063 0.000 0.976 459 Y HN 0.134 nan 8.280 nan 0.000 0.520 460 G N -0.864 108.164 108.800 0.380 0.000 2.464 460 G HA2 -0.142 3.819 3.960 0.001 0.000 0.217 460 G HA3 -0.142 3.819 3.960 0.001 0.000 0.217 460 G C 1.567 176.723 174.900 0.426 0.000 1.138 460 G CA 0.576 45.923 45.100 0.411 0.000 0.793 460 G HN 0.322 nan 8.290 nan 0.000 0.539 461 L N 0.739 122.244 121.223 0.471 0.000 2.072 461 L HA 0.153 4.493 4.340 0.001 0.000 0.205 461 L C 2.527 179.548 176.870 0.253 0.000 1.079 461 L CA 1.752 56.806 54.840 0.356 0.000 0.752 461 L CB -0.642 41.633 42.059 0.359 0.000 0.906 461 L HN 0.307 nan 8.230 nan 0.000 0.436 462 E N -0.494 119.824 120.200 0.195 0.000 2.118 462 E HA -0.234 4.116 4.350 0.001 0.000 0.195 462 E C 1.587 178.256 176.600 0.114 0.000 0.992 462 E CA 1.221 57.703 56.400 0.136 0.000 0.804 462 E CB -0.167 29.606 29.700 0.121 0.000 0.741 462 E HN 0.510 nan 8.360 nan 0.000 0.458 463 D N -0.254 120.213 120.400 0.112 0.000 2.311 463 D HA -0.156 4.484 4.640 0.001 0.000 0.212 463 D C 0.420 176.556 176.300 -0.273 0.000 0.972 463 D CA 1.134 55.099 54.000 -0.059 0.000 0.887 463 D CB -0.028 40.722 40.800 -0.084 0.000 0.915 463 D HN 0.358 nan 8.370 nan 0.000 0.497 464 Y N -0.349 119.941 120.300 -0.017 0.000 2.720 464 Y HA 0.178 4.728 4.550 0.001 0.000 0.277 464 Y C 0.713 176.616 175.900 0.005 0.000 1.144 464 Y CA -0.413 57.667 58.100 -0.033 0.000 1.221 464 Y CB 0.365 38.786 38.460 -0.065 0.000 1.163 464 Y HN -0.199 nan 8.280 nan 0.000 0.537 465 T N -3.064 111.551 114.554 0.101 0.000 2.916 465 T HA 0.638 4.989 4.350 0.001 0.000 0.292 465 T C -1.058 173.672 174.700 0.050 0.000 1.055 465 T CA -0.984 61.167 62.100 0.086 0.000 1.009 465 T CB 1.947 70.863 68.868 0.080 0.000 1.118 465 T HN -0.140 nan 8.240 nan 0.000 0.497 466 V N 2.046 121.991 119.914 0.052 0.000 2.435 466 V HA 0.633 4.754 4.120 0.001 0.000 0.290 466 V C -0.437 175.679 176.094 0.037 0.000 1.030 466 V CA -0.626 61.696 62.300 0.036 0.000 0.881 466 V CB 1.301 33.146 31.823 0.036 0.000 0.983 466 V HN 0.937 nan 8.190 nan 0.000 0.445 467 V N 8.390 128.320 119.914 0.026 0.000 2.583 467 V HA 0.530 4.650 4.120 0.001 0.000 0.287 467 V C 0.368 176.482 176.094 0.033 0.000 1.051 467 V CA -0.195 62.121 62.300 0.025 0.000 1.010 467 V CB 1.249 33.079 31.823 0.012 0.000 0.988 467 V HN 0.924 nan 8.190 nan 0.000 0.478 468 R N 2.518 123.045 120.500 0.045 0.000 2.628 468 R HA 0.403 4.743 4.340 0.001 0.000 0.288 468 R C -0.735 175.628 176.300 0.106 0.000 0.980 468 R CA -0.736 55.401 56.100 0.062 0.000 0.891 468 R CB 2.034 32.363 30.300 0.047 0.000 1.188 468 R HN 0.848 nan 8.270 nan 0.000 0.450 469 H N 3.137 122.201 119.070 -0.010 0.000 2.640 469 H HA 0.302 4.858 4.556 0.001 0.000 0.297 469 H C -0.978 174.351 175.328 0.002 0.000 1.073 469 H CA -0.614 55.426 56.048 -0.014 0.000 1.305 469 H CB 0.866 30.610 29.762 -0.031 0.000 1.404 469 H HN 0.165 nan 8.280 nan 0.000 0.459 470 V N 7.770 127.673 119.914 -0.018 0.000 2.398 470 V HA 0.189 4.309 4.120 0.001 0.000 0.286 470 V C 0.100 176.092 176.094 -0.170 0.000 1.026 470 V CA -0.521 61.707 62.300 -0.121 0.000 0.868 470 V CB 1.420 33.232 31.823 -0.018 0.000 0.982 470 V HN 0.797 nan 8.190 nan 0.000 0.443 471 M N 6.167 125.619 119.600 -0.247 0.000 2.197 471 M HA 0.605 5.085 4.480 0.001 0.000 0.301 471 M C -1.871 174.438 176.300 0.015 0.000 0.987 471 M CA -0.489 54.742 55.300 -0.114 0.000 0.921 471 M CB 1.767 34.228 32.600 -0.231 0.000 1.569 471 M HN 0.416 nan 8.290 nan 0.000 0.431 472 V N 5.301 125.269 119.914 0.090 0.000 2.347 472 V HA 0.342 4.462 4.120 0.001 0.000 0.280 472 V C -0.050 176.121 176.094 0.128 0.000 1.021 472 V CA -0.771 61.589 62.300 0.100 0.000 0.847 472 V CB 1.426 33.305 31.823 0.094 0.000 0.990 472 V HN 0.821 nan 8.190 nan 0.000 0.444 473 K N 4.385 124.835 120.400 0.083 0.000 2.401 473 K HA 0.222 4.542 4.320 0.001 0.000 0.278 473 K C 0.324 176.925 176.600 0.002 0.000 1.018 473 K CA -0.201 56.022 56.287 -0.107 0.000 0.981 473 K CB 0.353 32.800 32.500 -0.089 0.000 0.933 473 K HN 0.793 nan 8.250 nan 0.000 0.477 474 H N 0.000 118.932 119.070 -0.229 0.000 2.539 474 H HA 0.000 4.556 4.556 0.001 0.000 0.296 474 H CA 0.000 55.967 56.048 -0.136 0.000 1.023 474 H CB 0.000 29.691 29.762 -0.119 0.000 1.292 474 H HN 0.000 nan 8.280 nan 0.000 0.496