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 1zoa_1_A DATA FIRST_RESID 2 DATA SEQUENCE IKEMPQPKTF GELKNLPLLN TDKPVQALMK IADELGEIFK FEAPGRVTRY DATA SEQUENCE LSSQRLIKEA CDESRFDKNL SQALKFVRDF AGDGLFTSWT HEKNWKKAHN DATA SEQUENCE ILLPSFSQQA MKGYHAMMVD IAVQLVQKWE RLNADEHIEV PEDMTRLTLD DATA SEQUENCE TIGLCGFNYR FNSFYRDQPH PFITSMVRAL DEAMNKLQRA NPDDPAYDEN DATA SEQUENCE KRQFQEDIKV MNDLVDKIIA DRKASGEQSD DLLTHMLNGK DPETGEPLDD DATA SEQUENCE ENIRYQIITF LIAGHETTSG LLSFALYFLV KNPHVLQKAA EEAARVLVDP DATA SEQUENCE VPSYKQVKQL KYVGMVLNEA LRLWPTVPAF SLYAKEDTVL GGEYPLEKGD DATA SEQUENCE ELMVLIPQLH RDKTIWGDDV EEFRPERFEN PSAIPQHAFK PFGNGQRACI DATA SEQUENCE GQQFALHEAT LVLGMMLKHF DFEDHTNYEL DIKETLTLKP EGFVVKAKSK DATA SEQUENCE KIPLGGI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.039 176.117 -0.131 0.000 1.063 2 I CA 0.000 61.223 61.300 -0.129 0.000 1.566 2 I CB 0.000 37.967 38.000 -0.055 0.000 1.214 3 K N 3.461 123.755 120.400 -0.176 0.000 2.469 3 K HA 0.747 5.747 4.320 1.132 0.000 0.254 3 K C -0.372 176.278 176.600 0.084 0.000 0.939 3 K CA -0.225 56.018 56.287 -0.073 0.000 0.812 3 K CB 1.881 34.298 32.500 -0.138 0.000 1.301 3 K HN 0.609 nan 8.250 nan 0.000 0.433 4 E N 2.792 123.052 120.200 0.101 0.000 2.398 4 E HA 0.226 5.256 4.350 1.132 0.000 0.263 4 E C -0.502 176.220 176.600 0.204 0.000 1.046 4 E CA -0.025 56.452 56.400 0.128 0.000 0.908 4 E CB 0.472 30.221 29.700 0.081 0.000 0.963 4 E HN 0.625 nan 8.360 nan 0.000 0.431 5 M N 2.593 122.304 119.600 0.186 0.000 2.238 5 M HA 0.410 5.569 4.480 1.132 0.000 0.350 5 M C -2.339 174.031 176.300 0.117 0.000 1.138 5 M CA -1.749 53.647 55.300 0.159 0.000 1.040 5 M CB 1.682 34.330 32.600 0.080 0.000 1.639 5 M HN 0.343 nan 8.290 nan 0.000 0.451 6 P HA 0.083 nan 4.420 nan 0.000 0.270 6 P C -1.853 175.532 177.300 0.143 0.000 1.223 6 P CA -0.130 63.035 63.100 0.109 0.000 0.785 6 P CB 0.444 32.209 31.700 0.108 0.000 0.923 7 Q N 1.621 121.476 119.800 0.092 0.000 2.320 7 Q HA 0.375 5.394 4.340 1.132 0.000 0.272 7 Q C -2.800 173.201 176.000 0.000 0.000 1.023 7 Q CA -1.782 54.082 55.803 0.100 0.000 0.855 7 Q CB 1.940 30.722 28.738 0.073 0.000 1.367 7 Q HN 0.216 nan 8.270 nan 0.000 0.406 8 P HA 0.075 nan 4.420 nan 0.000 0.277 8 P C -1.092 176.167 177.300 -0.068 0.000 1.276 8 P CA -0.295 62.747 63.100 -0.097 0.000 0.788 8 P CB 0.488 32.111 31.700 -0.128 0.000 1.114 9 K N -0.458 119.901 120.400 -0.069 0.000 2.414 9 K HA 0.230 5.229 4.320 1.132 0.000 0.272 9 K C 0.168 176.714 176.600 -0.089 0.000 0.993 9 K CA -0.216 56.006 56.287 -0.108 0.000 0.964 9 K CB -0.440 31.961 32.500 -0.166 0.000 0.925 9 K HN 0.550 nan 8.250 nan 0.000 0.487 10 T N -1.180 113.277 114.554 -0.161 0.000 2.950 10 T HA 0.520 5.550 4.350 1.132 0.000 0.288 10 T C -0.408 174.148 174.700 -0.240 0.000 1.035 10 T CA -0.894 61.169 62.100 -0.063 0.000 1.028 10 T CB 0.544 69.388 68.868 -0.040 0.000 1.109 10 T HN 0.476 nan 8.240 nan 0.000 0.514 11 F N 1.015 120.936 119.950 -0.049 0.000 2.597 11 F HA 0.581 5.787 4.527 1.132 0.000 0.336 11 F C 1.480 177.266 175.800 -0.022 0.000 1.432 11 F CA -0.225 57.758 58.000 -0.029 0.000 1.120 11 F CB 0.259 39.247 39.000 -0.021 0.000 1.253 11 F HN 1.262 nan 8.300 nan 0.000 0.546 12 G N 1.783 110.627 108.800 0.073 0.000 2.611 12 G HA2 -0.413 4.227 3.960 1.132 0.000 0.301 12 G HA3 -0.413 4.227 3.960 1.132 0.000 0.301 12 G C 1.381 176.316 174.900 0.057 0.000 1.233 12 G CA 0.696 45.827 45.100 0.050 0.000 0.993 12 G HN 0.577 nan 8.290 nan 0.000 0.553 13 E N 0.672 120.903 120.200 0.052 0.000 2.333 13 E HA 0.062 5.092 4.350 1.132 0.000 0.198 13 E C 2.402 179.030 176.600 0.048 0.000 1.007 13 E CA 1.335 57.760 56.400 0.042 0.000 0.845 13 E CB -0.183 29.538 29.700 0.035 0.000 0.766 13 E HN 0.552 nan 8.360 nan 0.000 0.507 14 L N 0.534 121.798 121.223 0.069 0.000 2.554 14 L HA 0.103 5.122 4.340 1.132 0.000 0.226 14 L C 0.879 177.777 176.870 0.048 0.000 1.137 14 L CA 0.160 55.032 54.840 0.053 0.000 0.863 14 L CB -0.523 41.560 42.059 0.041 0.000 0.985 14 L HN 0.108 nan 8.230 nan 0.000 0.451 15 K N 0.103 120.544 120.400 0.067 0.000 1.699 15 K HA -0.363 4.636 4.320 1.132 0.000 0.127 15 K C 0.673 177.297 176.600 0.040 0.000 1.157 15 K CA 2.180 58.484 56.287 0.030 0.000 0.341 15 K CB -0.939 31.548 32.500 -0.022 0.000 0.645 15 K HN 0.228 nan 8.250 nan 0.000 0.848 16 N N 0.807 119.404 118.700 -0.172 0.000 2.353 16 N HA 0.066 5.486 4.740 1.132 0.000 0.185 16 N C 1.364 176.712 175.510 -0.268 0.000 1.098 16 N CA 0.199 53.035 53.050 -0.356 0.000 0.872 16 N CB 0.078 37.863 38.487 -1.170 0.000 0.970 16 N HN 0.238 nan 8.380 nan 0.000 0.467 17 L N 2.050 123.208 121.223 -0.108 0.000 2.034 17 L HA -0.142 4.877 4.340 1.132 0.000 0.217 17 L C -1.043 175.784 176.870 -0.071 0.000 1.077 17 L CA 2.133 56.999 54.840 0.044 0.000 0.769 17 L CB -0.973 41.102 42.059 0.027 0.000 0.890 17 L HN 0.082 nan 8.230 nan 0.000 0.435 18 P HA -0.124 nan 4.420 nan 0.000 0.228 18 P C 1.818 178.860 177.300 -0.429 0.000 1.151 18 P CA 1.042 63.771 63.100 -0.619 0.000 0.770 18 P CB -0.070 30.781 31.700 -1.415 0.000 0.786 19 L N -1.639 119.477 121.223 -0.178 0.000 2.362 19 L HA -0.079 4.941 4.340 1.132 0.000 0.219 19 L C 1.806 178.729 176.870 0.087 0.000 1.134 19 L CA 0.904 55.787 54.840 0.072 0.000 0.807 19 L CB -0.572 41.652 42.059 0.275 0.000 0.927 19 L HN 0.037 nan 8.230 nan 0.000 0.447 20 L N -0.603 120.675 121.223 0.091 0.000 2.592 20 L HA 0.041 5.060 4.340 1.132 0.000 0.227 20 L C 0.857 177.723 176.870 -0.006 0.000 1.127 20 L CA -0.104 54.759 54.840 0.039 0.000 0.884 20 L CB -0.337 41.753 42.059 0.052 0.000 1.065 20 L HN 0.171 nan 8.230 nan 0.000 0.457 21 N N 1.336 120.014 118.700 -0.037 0.000 3.124 21 N HA 0.050 5.469 4.740 1.132 0.000 0.284 21 N C -0.547 174.948 175.510 -0.025 0.000 1.209 21 N CA 0.322 53.346 53.050 -0.044 0.000 1.149 21 N CB 0.064 38.505 38.487 -0.078 0.000 1.434 21 N HN 0.047 nan 8.380 nan 0.000 0.529 22 T N -0.441 114.104 114.554 -0.016 0.000 2.853 22 T HA 0.180 5.209 4.350 1.132 0.000 0.311 22 T C -0.190 174.501 174.700 -0.014 0.000 1.307 22 T CA -0.689 61.404 62.100 -0.011 0.000 1.019 22 T CB 0.715 69.580 68.868 -0.005 0.000 1.264 22 T HN 0.265 nan 8.240 nan 0.000 0.497 23 D N 1.638 122.028 120.400 -0.016 0.000 2.340 23 D HA 0.139 5.458 4.640 1.132 0.000 0.220 23 D C 0.325 176.612 176.300 -0.021 0.000 1.039 23 D CA 0.250 54.239 54.000 -0.019 0.000 0.866 23 D CB 0.089 40.876 40.800 -0.021 0.000 0.913 23 D HN 0.493 nan 8.370 nan 0.000 0.523 24 K N 1.007 121.396 120.400 -0.018 0.000 3.084 24 K HA 0.182 5.181 4.320 1.132 0.000 0.172 24 K C -2.059 174.536 176.600 -0.009 0.000 1.078 24 K CA -1.407 54.870 56.287 -0.018 0.000 0.875 24 K CB 2.059 34.543 32.500 -0.027 0.000 1.064 24 K HN -0.052 nan 8.250 nan 0.000 0.597 25 P HA -0.159 nan 4.420 nan 0.000 0.216 25 P C 1.414 178.698 177.300 -0.028 0.000 1.153 25 P CA 0.979 64.064 63.100 -0.024 0.000 0.848 25 P CB 0.301 31.983 31.700 -0.031 0.000 0.787 26 V N 0.707 120.620 119.914 -0.001 0.000 2.343 26 V HA -0.244 4.555 4.120 1.132 0.000 0.247 26 V C 2.910 179.032 176.094 0.047 0.000 1.051 26 V CA 1.975 64.287 62.300 0.021 0.000 1.036 26 V CB -1.494 30.368 31.823 0.065 0.000 0.654 26 V HN 0.119 nan 8.190 nan 0.000 0.451 27 Q N -0.300 119.539 119.800 0.066 0.000 2.124 27 Q HA -0.158 4.861 4.340 1.132 0.000 0.202 27 Q C 2.395 178.421 176.000 0.043 0.000 0.977 27 Q CA 1.704 57.561 55.803 0.091 0.000 0.850 27 Q CB -0.406 28.370 28.738 0.064 0.000 0.901 27 Q HN 0.691 nan 8.270 nan 0.000 0.429 28 A N 0.669 123.495 122.820 0.010 0.000 1.902 28 A HA -0.147 4.853 4.320 1.132 0.000 0.217 28 A C 2.019 179.583 177.584 -0.033 0.000 1.181 28 A CA 1.056 53.090 52.037 -0.006 0.000 0.623 28 A CB -0.577 18.422 19.000 -0.002 0.000 0.818 28 A HN 0.293 nan 8.150 nan 0.000 0.443 29 L N -1.203 119.987 121.223 -0.055 0.000 2.141 29 L HA -0.160 4.859 4.340 1.132 0.000 0.209 29 L C 2.790 179.648 176.870 -0.020 0.000 1.094 29 L CA 1.191 55.979 54.840 -0.087 0.000 0.763 29 L CB -0.407 41.518 42.059 -0.223 0.000 0.908 29 L HN 0.411 nan 8.230 nan 0.000 0.437 30 M N -0.540 119.063 119.600 0.006 0.000 2.132 30 M HA -0.229 4.930 4.480 1.132 0.000 0.263 30 M C 2.374 178.674 176.300 0.000 0.000 1.065 30 M CA 1.665 56.979 55.300 0.024 0.000 1.122 30 M CB -0.301 32.329 32.600 0.051 0.000 1.365 30 M HN 0.104 nan 8.290 nan 0.000 0.411 31 K N 1.135 121.529 120.400 -0.011 0.000 2.097 31 K HA -0.120 4.880 4.320 1.132 0.000 0.205 31 K C 1.656 178.203 176.600 -0.089 0.000 1.050 31 K CA 1.241 57.511 56.287 -0.029 0.000 0.938 31 K CB -0.092 32.398 32.500 -0.017 0.000 0.718 31 K HN 0.274 nan 8.250 nan 0.000 0.442 32 I N 1.013 121.488 120.570 -0.159 0.000 2.226 32 I HA -0.244 4.605 4.170 1.132 0.000 0.245 32 I C 2.463 178.354 176.117 -0.376 0.000 1.100 32 I CA 1.159 62.252 61.300 -0.346 0.000 1.374 32 I CB -0.337 37.317 38.000 -0.576 0.000 1.057 32 I HN 0.241 nan 8.210 nan 0.000 0.413 33 A N 0.416 123.130 122.820 -0.177 0.000 1.933 33 A HA -0.244 4.756 4.320 1.132 0.000 0.218 33 A C 1.937 179.523 177.584 0.002 0.000 1.175 33 A CA 2.017 54.081 52.037 0.046 0.000 0.628 33 A CB -0.576 18.546 19.000 0.204 0.000 0.814 33 A HN 0.350 nan 8.150 nan 0.000 0.444 34 D N -0.181 120.207 120.400 -0.021 0.000 2.144 34 D HA -0.133 5.186 4.640 1.132 0.000 0.199 34 D C 1.915 178.201 176.300 -0.023 0.000 0.984 34 D CA 1.590 55.584 54.000 -0.011 0.000 0.834 34 D CB -0.278 40.515 40.800 -0.011 0.000 0.955 34 D HN 0.709 nan 8.370 nan 0.000 0.465 35 E N -0.193 119.971 120.200 -0.060 0.000 2.112 35 E HA 0.035 5.064 4.350 1.132 0.000 0.190 35 E C 2.116 178.682 176.600 -0.056 0.000 0.979 35 E CA 0.401 56.764 56.400 -0.062 0.000 0.814 35 E CB 0.161 29.808 29.700 -0.089 0.000 0.762 35 E HN 0.243 nan 8.360 nan 0.000 0.460 36 L N -0.516 120.657 121.223 -0.083 0.000 2.463 36 L HA 0.273 5.292 4.340 1.132 0.000 0.219 36 L C 1.120 178.020 176.870 0.049 0.000 1.088 36 L CA 0.261 55.080 54.840 -0.036 0.000 0.849 36 L CB 0.123 42.121 42.059 -0.102 0.000 1.012 36 L HN 0.226 nan 8.230 nan 0.000 0.468 37 G N 1.221 110.061 108.800 0.067 0.000 2.396 37 G HA2 -0.216 4.423 3.960 1.132 0.000 0.254 37 G HA3 -0.216 4.423 3.960 1.132 0.000 0.254 37 G C 0.406 175.380 174.900 0.124 0.000 1.248 37 G CA 0.015 45.168 45.100 0.089 0.000 1.033 37 G HN 0.335 nan 8.290 nan 0.000 0.502 38 E N -0.601 119.653 120.200 0.090 0.000 2.333 38 E HA 0.122 5.151 4.350 1.132 0.000 0.198 38 E C 1.169 177.780 176.600 0.019 0.000 1.007 38 E CA 1.355 57.790 56.400 0.059 0.000 0.845 38 E CB 0.681 30.411 29.700 0.049 0.000 0.766 38 E HN 0.917 nan 8.360 nan 0.000 0.507 39 I N 0.184 120.773 120.570 0.031 0.000 2.680 39 I HA 0.390 5.240 4.170 1.132 0.000 0.291 39 I C -1.807 174.350 176.117 0.065 0.000 1.244 39 I CA -1.279 59.972 61.300 -0.082 0.000 1.042 39 I CB 1.491 39.295 38.000 -0.326 0.000 1.277 39 I HN 0.067 nan 8.210 nan 0.000 0.423 40 F N 5.156 125.092 119.950 -0.023 0.000 2.613 40 F HA 0.610 5.816 4.527 1.131 0.000 0.310 40 F C -1.293 174.563 175.800 0.094 0.000 1.085 40 F CA -0.985 57.031 58.000 0.027 0.000 0.945 40 F CB 1.179 40.213 39.000 0.056 0.000 1.298 40 F HN 0.337 nan 8.300 nan 0.000 0.455 41 K N 1.935 122.490 120.400 0.257 0.000 2.118 41 K HA 0.556 5.555 4.320 1.132 0.000 0.267 41 K C -2.116 174.707 176.600 0.372 0.000 0.991 41 K CA -0.548 55.854 56.287 0.193 0.000 0.916 41 K CB 1.104 33.674 32.500 0.116 0.000 1.041 41 K HN 0.753 nan 8.250 nan 0.000 0.455 42 F N 3.199 123.265 119.950 0.193 0.000 2.553 42 F HA 0.301 5.508 4.527 1.133 0.000 0.335 42 F C -1.021 174.867 175.800 0.148 0.000 1.148 42 F CA -0.464 57.685 58.000 0.249 0.000 0.963 42 F CB 1.446 40.687 39.000 0.401 0.000 1.217 42 F HN 0.556 nan 8.300 nan 0.000 0.441 43 E N 4.092 124.231 120.200 -0.102 0.000 2.202 43 E HA 0.820 5.849 4.350 1.132 0.000 0.272 43 E C -1.108 175.467 176.600 -0.042 0.000 0.951 43 E CA -1.158 55.238 56.400 -0.007 0.000 0.813 43 E CB 2.112 31.801 29.700 -0.019 0.000 1.151 43 E HN 0.645 nan 8.360 nan 0.000 0.398 44 A N 2.618 125.479 122.820 0.068 0.000 2.527 44 A HA 0.618 5.617 4.320 1.132 0.000 0.293 44 A C -2.627 174.991 177.584 0.057 0.000 1.117 44 A CA -1.693 50.390 52.037 0.077 0.000 0.723 44 A CB 1.193 20.287 19.000 0.157 0.000 1.313 44 A HN 0.401 nan 8.150 nan 0.000 0.411 45 P HA 0.168 nan 4.420 nan 0.000 0.262 45 P C 0.876 178.202 177.300 0.044 0.000 1.199 45 P CA 1.906 65.031 63.100 0.042 0.000 0.763 45 P CB 0.353 32.077 31.700 0.040 0.000 0.790 46 G N 2.421 111.243 108.800 0.037 0.000 2.203 46 G HA2 -0.290 4.349 3.960 1.132 0.000 0.263 46 G HA3 -0.290 4.349 3.960 1.132 0.000 0.263 46 G C 0.169 175.092 174.900 0.037 0.000 1.012 46 G CA 0.408 45.528 45.100 0.033 0.000 0.749 46 G HN 0.830 nan 8.290 nan 0.000 0.512 47 R N -1.545 118.985 120.500 0.049 0.000 2.594 47 R HA 0.651 5.670 4.340 1.132 0.000 0.265 47 R C -1.807 174.540 176.300 0.078 0.000 1.070 47 R CA -0.329 55.805 56.100 0.057 0.000 0.909 47 R CB 2.149 32.488 30.300 0.065 0.000 1.243 47 R HN 0.672 nan 8.270 nan 0.000 0.455 48 V N 2.293 122.249 119.914 0.069 0.000 2.932 48 V HA 0.764 5.563 4.120 1.132 0.000 0.307 48 V C -1.569 174.556 176.094 0.050 0.000 1.147 48 V CA -0.062 62.289 62.300 0.084 0.000 0.951 48 V CB 2.398 34.257 31.823 0.060 0.000 1.031 48 V HN 0.904 nan 8.190 nan 0.000 0.426 49 T N 5.192 119.780 114.554 0.057 0.000 2.843 49 T HA 0.716 5.745 4.350 1.132 0.000 0.302 49 T C -1.415 173.214 174.700 -0.119 0.000 1.232 49 T CA -0.667 61.383 62.100 -0.083 0.000 1.009 49 T CB 1.760 70.493 68.868 -0.224 0.000 1.254 49 T HN 0.816 nan 8.240 nan 0.000 0.504 50 R N 1.483 121.821 120.500 -0.271 0.000 2.480 50 R HA 0.500 5.520 4.340 1.132 0.000 0.306 50 R C -1.499 174.482 176.300 -0.532 0.000 0.958 50 R CA -0.592 55.330 56.100 -0.298 0.000 0.861 50 R CB 1.241 31.402 30.300 -0.232 0.000 1.171 50 R HN 0.506 nan 8.270 nan 0.000 0.445 51 Y N 3.277 123.196 120.300 -0.635 0.000 2.350 51 Y HA 0.290 5.518 4.550 1.131 0.000 0.340 51 Y C 0.122 175.685 175.900 -0.562 0.000 1.006 51 Y CA -0.357 57.309 58.100 -0.724 0.000 1.166 51 Y CB 0.846 38.554 38.460 -1.253 0.000 1.168 51 Y HN 0.264 nan 8.280 nan 0.000 0.502 52 L N 2.670 123.711 121.223 -0.303 0.000 2.309 52 L HA 0.415 5.434 4.340 1.132 0.000 0.282 52 L C 0.503 177.285 176.870 -0.146 0.000 1.036 52 L CA -0.242 54.462 54.840 -0.227 0.000 0.806 52 L CB 1.645 43.539 42.059 -0.275 0.000 1.220 52 L HN 0.633 nan 8.230 nan 0.000 0.429 53 S N -0.545 115.112 115.700 -0.071 0.000 2.687 53 S HA 0.076 5.225 4.470 1.132 0.000 0.247 53 S C 0.317 174.918 174.600 0.001 0.000 1.050 53 S CA -0.364 57.821 58.200 -0.025 0.000 1.063 53 S CB 0.731 63.955 63.200 0.039 0.000 1.039 53 S HN 0.762 nan 8.310 nan 0.000 0.580 54 S N 0.949 116.647 115.700 -0.002 0.000 2.593 54 S HA 0.428 5.577 4.470 1.132 0.000 0.297 54 S C 0.678 175.297 174.600 0.031 0.000 1.112 54 S CA -0.582 57.638 58.200 0.032 0.000 1.043 54 S CB 1.581 64.803 63.200 0.037 0.000 1.054 54 S HN 0.088 nan 8.310 nan 0.000 0.516 55 Q N 1.709 121.549 119.800 0.066 0.000 2.170 55 Q HA -0.194 4.826 4.340 1.132 0.000 0.203 55 Q C 2.118 178.147 176.000 0.049 0.000 0.976 55 Q CA 1.858 57.707 55.803 0.076 0.000 0.858 55 Q CB -0.248 28.541 28.738 0.086 0.000 0.907 55 Q HN 0.950 nan 8.270 nan 0.000 0.433 56 R N -0.377 120.146 120.500 0.038 0.000 2.096 56 R HA -0.098 4.921 4.340 1.132 0.000 0.235 56 R C 2.204 178.519 176.300 0.025 0.000 1.127 56 R CA 1.679 57.800 56.100 0.035 0.000 0.968 56 R CB -0.536 29.786 30.300 0.037 0.000 0.861 56 R HN 0.260 nan 8.270 nan 0.000 0.440 57 L N 0.040 121.266 121.223 0.005 0.000 2.249 57 L HA 0.128 5.148 4.340 1.132 0.000 0.207 57 L C 2.430 179.241 176.870 -0.098 0.000 1.090 57 L CA 0.450 55.272 54.840 -0.030 0.000 0.802 57 L CB -0.181 41.850 42.059 -0.045 0.000 0.947 57 L HN 0.135 nan 8.230 nan 0.000 0.453 58 I N 0.817 121.331 120.570 -0.094 0.000 2.394 58 I HA -0.273 4.576 4.170 1.132 0.000 0.251 58 I C 2.604 178.639 176.117 -0.137 0.000 1.136 58 I CA 1.190 62.403 61.300 -0.146 0.000 1.425 58 I CB -0.182 37.755 38.000 -0.105 0.000 1.079 58 I HN 0.331 nan 8.210 nan 0.000 0.425 59 K N 1.028 121.406 120.400 -0.036 0.000 2.147 59 K HA -0.180 4.819 4.320 1.132 0.000 0.205 59 K C 1.598 178.162 176.600 -0.060 0.000 1.049 59 K CA 1.427 57.718 56.287 0.007 0.000 0.936 59 K CB -0.318 32.288 32.500 0.177 0.000 0.722 59 K HN 0.362 nan 8.250 nan 0.000 0.446 60 E N 0.950 121.125 120.200 -0.041 0.000 2.072 60 E HA -0.092 4.937 4.350 1.132 0.000 0.190 60 E C 2.185 178.740 176.600 -0.076 0.000 0.982 60 E CA 0.891 57.293 56.400 0.004 0.000 0.803 60 E CB -0.128 29.599 29.700 0.045 0.000 0.755 60 E HN 0.507 nan 8.360 nan 0.000 0.453 61 A N 0.610 123.230 122.820 -0.333 0.000 2.019 61 A HA -0.170 4.829 4.320 1.132 0.000 0.219 61 A C 2.130 179.518 177.584 -0.326 0.000 1.164 61 A CA 0.895 52.513 52.037 -0.698 0.000 0.644 61 A CB -0.547 18.058 19.000 -0.658 0.000 0.805 61 A HN 0.333 nan 8.150 nan 0.000 0.449 62 C N 0.455 119.597 119.300 -0.263 0.000 2.626 62 C HA 0.105 5.244 4.460 1.132 0.000 0.266 62 C C 0.762 175.670 174.990 -0.137 0.000 1.317 62 C CA -0.448 58.400 59.018 -0.283 0.000 1.716 62 C CB -1.499 25.784 27.740 -0.762 0.000 1.819 62 C HN 0.543 nan 8.230 nan 0.000 0.578 63 D N 1.352 121.760 120.400 0.013 0.000 2.374 63 D HA 0.035 5.355 4.640 1.132 0.000 0.240 63 D C 1.010 177.365 176.300 0.091 0.000 1.229 63 D CA 0.220 54.271 54.000 0.085 0.000 0.895 63 D CB 0.376 41.253 40.800 0.129 0.000 1.046 63 D HN 0.456 nan 8.370 nan 0.000 0.498 64 E N 1.273 121.494 120.200 0.035 0.000 2.401 64 E HA -0.143 4.887 4.350 1.132 0.000 0.199 64 E C 1.665 178.249 176.600 -0.027 0.000 1.023 64 E CA 0.668 57.066 56.400 -0.004 0.000 0.859 64 E CB 0.168 29.855 29.700 -0.022 0.000 0.780 64 E HN 0.518 nan 8.360 nan 0.000 0.523 65 S N 0.329 116.019 115.700 -0.016 0.000 2.489 65 S HA -0.010 5.139 4.470 1.132 0.000 0.228 65 S C 1.769 176.304 174.600 -0.108 0.000 0.995 65 S CA 0.246 58.419 58.200 -0.044 0.000 0.934 65 S CB 0.139 63.326 63.200 -0.023 0.000 0.771 65 S HN 0.169 nan 8.310 nan 0.000 0.522 66 R N -0.915 119.500 120.500 -0.142 0.000 2.250 66 R HA 0.429 5.448 4.340 1.132 0.000 0.194 66 R C -0.790 175.054 176.300 -0.760 0.000 0.927 66 R CA 0.239 56.088 56.100 -0.419 0.000 1.052 66 R CB 0.366 30.409 30.300 -0.429 0.000 1.055 66 R HN 0.376 nan 8.270 nan 0.000 0.537 67 F N -0.058 119.799 119.950 -0.155 0.000 2.591 67 F HA 0.327 5.534 4.527 1.133 0.000 0.309 67 F C -0.500 175.100 175.800 -0.334 0.000 1.098 67 F CA -1.398 56.448 58.000 -0.257 0.000 0.937 67 F CB 1.987 40.869 39.000 -0.197 0.000 1.250 67 F HN -0.245 nan 8.300 nan 0.000 0.447 68 D N 1.139 121.285 120.400 -0.424 0.000 2.423 68 D HA 0.263 5.582 4.640 1.132 0.000 0.235 68 D C -0.984 175.102 176.300 -0.356 0.000 1.011 68 D CA -0.822 52.924 54.000 -0.423 0.000 0.963 68 D CB 1.812 42.330 40.800 -0.470 0.000 1.349 68 D HN 0.496 nan 8.370 nan 0.000 0.508 69 K N 1.619 121.900 120.400 -0.198 0.000 2.489 69 K HA 0.062 5.062 4.320 1.132 0.000 0.278 69 K C -0.518 176.134 176.600 0.087 0.000 1.000 69 K CA -0.047 56.168 56.287 -0.120 0.000 1.012 69 K CB 0.252 32.598 32.500 -0.257 0.000 0.903 69 K HN 0.373 nan 8.250 nan 0.000 0.485 70 N N 3.521 122.281 118.700 0.101 0.000 2.384 70 N HA 0.277 5.697 4.740 1.132 0.000 0.301 70 N C -1.382 174.005 175.510 -0.204 0.000 1.133 70 N CA -0.704 52.477 53.050 0.219 0.000 0.853 70 N CB 0.935 39.606 38.487 0.306 0.000 1.241 70 N HN 0.497 nan 8.380 nan 0.000 0.502 71 L N 2.488 123.392 121.223 -0.532 0.000 2.261 71 L HA 0.314 5.333 4.340 1.132 0.000 0.289 71 L C 0.633 177.363 176.870 -0.234 0.000 1.059 71 L CA -0.662 53.863 54.840 -0.526 0.000 0.816 71 L CB 0.510 42.081 42.059 -0.815 0.000 1.191 71 L HN 0.675 nan 8.230 nan 0.000 0.431 72 S N 1.549 117.135 115.700 -0.191 0.000 2.587 72 S HA -0.028 5.121 4.470 1.132 0.000 0.260 72 S C 0.826 175.283 174.600 -0.239 0.000 1.353 72 S CA -0.430 57.668 58.200 -0.170 0.000 0.995 72 S CB 1.125 64.235 63.200 -0.150 0.000 0.912 72 S HN 0.626 nan 8.310 nan 0.000 0.568 73 Q N 1.056 120.690 119.800 -0.278 0.000 2.135 73 Q HA -0.048 4.971 4.340 1.132 0.000 0.204 73 Q C 2.228 177.819 176.000 -0.682 0.000 0.981 73 Q CA 2.181 57.674 55.803 -0.516 0.000 0.856 73 Q CB -1.169 27.302 28.738 -0.444 0.000 0.902 73 Q HN 0.903 nan 8.270 nan 0.000 0.425 74 A N 0.017 122.639 122.820 -0.330 0.000 1.908 74 A HA -0.157 4.843 4.320 1.132 0.000 0.218 74 A C 2.072 179.566 177.584 -0.151 0.000 1.181 74 A CA 1.541 53.488 52.037 -0.150 0.000 0.627 74 A CB -0.777 18.194 19.000 -0.047 0.000 0.818 74 A HN 0.454 nan 8.150 nan 0.000 0.445 75 L N -1.078 120.036 121.223 -0.182 0.000 2.217 75 L HA -0.139 4.880 4.340 1.132 0.000 0.211 75 L C 2.470 179.208 176.870 -0.220 0.000 1.107 75 L CA 1.289 56.024 54.840 -0.175 0.000 0.783 75 L CB -0.408 41.556 42.059 -0.158 0.000 0.919 75 L HN 0.381 nan 8.230 nan 0.000 0.442 76 K N -0.376 119.857 120.400 -0.278 0.000 2.148 76 K HA -0.125 4.874 4.320 1.132 0.000 0.204 76 K C 2.004 178.560 176.600 -0.073 0.000 1.050 76 K CA 1.213 57.370 56.287 -0.216 0.000 0.942 76 K CB -0.083 32.259 32.500 -0.264 0.000 0.724 76 K HN 0.101 nan 8.250 nan 0.000 0.446 77 F N 0.416 120.317 119.950 -0.083 0.000 2.206 77 F HA -0.109 5.097 4.527 1.132 0.000 0.298 77 F C 2.235 177.989 175.800 -0.076 0.000 1.090 77 F CA 0.404 58.372 58.000 -0.053 0.000 1.323 77 F CB -0.976 37.983 39.000 -0.068 0.000 1.028 77 F HN -0.259 nan 8.300 nan 0.000 0.492 78 V N 0.264 120.149 119.914 -0.050 0.000 2.515 78 V HA -0.246 4.553 4.120 1.132 0.000 0.250 78 V C 2.520 178.139 176.094 -0.793 0.000 1.058 78 V CA 1.697 63.660 62.300 -0.562 0.000 1.064 78 V CB -0.717 30.849 31.823 -0.428 0.000 0.675 78 V HN 0.233 nan 8.190 nan 0.000 0.461 79 R N 0.232 120.508 120.500 -0.375 0.000 2.193 79 R HA -0.178 4.841 4.340 1.132 0.000 0.229 79 R C 1.760 177.920 176.300 -0.233 0.000 1.110 79 R CA 1.478 57.387 56.100 -0.319 0.000 0.988 79 R CB -0.299 29.877 30.300 -0.207 0.000 0.871 79 R HN 0.465 nan 8.270 nan 0.000 0.458 80 D N -0.179 120.170 120.400 -0.084 0.000 2.221 80 D HA -0.177 5.142 4.640 1.132 0.000 0.204 80 D C 1.232 177.610 176.300 0.130 0.000 0.982 80 D CA 1.380 55.447 54.000 0.111 0.000 0.857 80 D CB 0.012 41.036 40.800 0.373 0.000 0.934 80 D HN 0.534 nan 8.370 nan 0.000 0.475 81 F N -2.213 117.758 119.950 0.034 0.000 2.740 81 F HA 0.546 5.752 4.527 1.131 0.000 0.304 81 F C 1.741 177.589 175.800 0.079 0.000 1.098 81 F CA -0.234 57.780 58.000 0.024 0.000 1.258 81 F CB -0.091 38.848 39.000 -0.102 0.000 1.061 81 F HN -0.120 nan 8.300 nan 0.000 0.598 82 A N 0.940 123.589 122.820 -0.285 0.000 2.267 82 A HA 0.582 5.581 4.320 1.132 0.000 0.213 82 A C 1.877 179.184 177.584 -0.462 0.000 1.192 82 A CA 0.542 52.483 52.037 -0.160 0.000 0.851 82 A CB -1.251 17.596 19.000 -0.255 0.000 0.881 82 A HN 0.731 nan 8.150 nan 0.000 0.494 83 G N 1.420 109.730 108.800 -0.818 0.000 2.652 83 G HA2 -0.400 4.239 3.960 1.132 0.000 0.318 83 G HA3 -0.400 4.239 3.960 1.132 0.000 0.318 83 G C 0.226 174.759 174.900 -0.612 0.000 1.295 83 G CA 0.684 45.022 45.100 -1.270 0.000 0.999 83 G HN 0.934 nan 8.290 nan 0.000 0.548 84 D N 1.453 121.585 120.400 -0.447 0.000 2.722 84 D HA 0.462 5.782 4.640 1.132 0.000 0.239 84 D C 1.092 177.432 176.300 0.067 0.000 1.249 84 D CA 0.702 54.660 54.000 -0.070 0.000 0.830 84 D CB -0.442 40.397 40.800 0.065 0.000 1.025 84 D HN 0.791 nan 8.370 nan 0.000 0.486 85 G N -0.042 108.785 108.800 0.045 0.000 2.684 85 G HA2 0.179 4.818 3.960 1.132 0.000 0.255 85 G HA3 0.179 4.818 3.960 1.132 0.000 0.255 85 G C 1.059 176.063 174.900 0.173 0.000 1.219 85 G CA -0.688 44.520 45.100 0.179 0.000 0.901 85 G HN 0.270 nan 8.290 nan 0.000 0.548 86 L N -0.853 120.500 121.223 0.217 0.000 2.127 86 L HA -0.086 4.934 4.340 1.132 0.000 0.211 86 L C 2.462 179.443 176.870 0.184 0.000 1.089 86 L CA 0.985 55.976 54.840 0.253 0.000 0.757 86 L CB -0.272 41.921 42.059 0.224 0.000 0.899 86 L HN 0.518 nan 8.230 nan 0.000 0.434 87 F N 0.365 120.286 119.950 -0.049 0.000 2.367 87 F HA -0.110 5.095 4.527 1.130 0.000 0.298 87 F C 2.230 177.927 175.800 -0.173 0.000 1.094 87 F CA 1.451 59.381 58.000 -0.117 0.000 1.409 87 F CB 0.053 38.964 39.000 -0.149 0.000 1.064 87 F HN 0.047 nan 8.300 nan 0.000 0.528 88 T N -2.564 112.023 114.554 0.055 0.000 3.182 88 T HA 0.263 5.292 4.350 1.132 0.000 0.277 88 T C 0.351 174.905 174.700 -0.243 0.000 1.013 88 T CA 0.062 62.084 62.100 -0.130 0.000 0.900 88 T CB -0.708 68.055 68.868 -0.176 0.000 1.098 88 T HN 0.093 nan 8.240 nan 0.000 0.543 89 S N 0.101 115.711 115.700 -0.151 0.000 2.617 89 S HA 0.655 5.804 4.470 1.132 0.000 0.283 89 S C -0.575 173.856 174.600 -0.283 0.000 1.189 89 S CA -1.125 57.004 58.200 -0.119 0.000 1.036 89 S CB 0.683 63.965 63.200 0.137 0.000 1.014 89 S HN 0.491 nan 8.310 nan 0.000 0.522 90 W N 1.038 122.225 121.300 -0.188 0.000 2.202 90 W HA 0.300 5.641 4.660 1.134 0.000 0.332 90 W C 1.634 177.903 176.519 -0.415 0.000 1.263 90 W CA -0.389 56.722 57.345 -0.390 0.000 1.223 90 W CB 0.218 29.228 29.460 -0.749 0.000 1.128 90 W HN 0.732 nan 8.180 nan 0.000 0.573 91 T N 0.651 115.067 114.554 -0.231 0.000 2.803 91 T HA -0.275 4.755 4.350 1.132 0.000 0.269 91 T C 1.236 175.970 174.700 0.056 0.000 1.052 91 T CA 2.063 63.970 62.100 -0.322 0.000 1.136 91 T CB -0.389 68.254 68.868 -0.375 0.000 0.864 91 T HN 0.545 nan 8.240 nan 0.000 0.467 92 H N 0.329 119.520 119.070 0.202 0.000 2.539 92 H HA 0.398 5.634 4.556 1.132 0.000 0.267 92 H C 0.539 175.984 175.328 0.196 0.000 0.982 92 H CA -0.196 55.959 56.048 0.178 0.000 1.146 92 H CB -0.349 29.477 29.762 0.106 0.000 1.382 92 H HN 0.291 nan 8.280 nan 0.000 0.577 93 E N 1.685 121.971 120.200 0.143 0.000 2.338 93 E HA 0.014 5.043 4.350 1.132 0.000 0.272 93 E C 0.795 177.537 176.600 0.236 0.000 1.029 93 E CA -0.374 56.156 56.400 0.217 0.000 0.872 93 E CB 1.368 31.191 29.700 0.205 0.000 1.015 93 E HN 0.374 nan 8.360 nan 0.000 0.417 94 K N 3.151 123.667 120.400 0.192 0.000 2.089 94 K HA -0.248 4.751 4.320 1.132 0.000 0.210 94 K C 1.155 177.843 176.600 0.147 0.000 1.048 94 K CA 1.497 57.879 56.287 0.158 0.000 0.926 94 K CB 0.091 32.664 32.500 0.121 0.000 0.714 94 K HN 0.359 nan 8.250 nan 0.000 0.448 95 N N -0.190 118.604 118.700 0.155 0.000 2.520 95 N HA -0.152 5.267 4.740 1.132 0.000 0.185 95 N C 1.044 176.631 175.510 0.128 0.000 1.068 95 N CA 0.824 53.955 53.050 0.134 0.000 0.911 95 N CB -0.178 38.401 38.487 0.153 0.000 0.961 95 N HN 0.401 nan 8.380 nan 0.000 0.446 96 W N 2.093 123.445 121.300 0.087 0.000 2.418 96 W HA -0.071 5.267 4.660 1.131 0.000 0.319 96 W C 2.300 178.888 176.519 0.116 0.000 1.183 96 W CA 1.291 58.682 57.345 0.078 0.000 1.327 96 W CB -0.469 29.006 29.460 0.026 0.000 1.163 96 W HN -0.175 nan 8.180 nan 0.000 0.479 97 K N 1.205 121.435 120.400 -0.284 0.000 2.097 97 K HA -0.199 4.800 4.320 1.132 0.000 0.206 97 K C 2.119 178.545 176.600 -0.290 0.000 1.049 97 K CA 2.024 57.985 56.287 -0.543 0.000 0.933 97 K CB -0.578 31.893 32.500 -0.048 0.000 0.717 97 K HN 0.177 nan 8.250 nan 0.000 0.442 98 K N -0.434 119.891 120.400 -0.125 0.000 2.002 98 K HA -0.112 4.887 4.320 1.132 0.000 0.209 98 K C 1.906 178.456 176.600 -0.084 0.000 1.048 98 K CA 1.502 57.753 56.287 -0.060 0.000 0.930 98 K CB -0.322 32.180 32.500 0.004 0.000 0.714 98 K HN 0.172 nan 8.250 nan 0.000 0.438 99 A N 0.241 123.007 122.820 -0.091 0.000 1.930 99 A HA -0.187 4.812 4.320 1.132 0.000 0.217 99 A C 1.945 179.466 177.584 -0.104 0.000 1.175 99 A CA 1.812 53.823 52.037 -0.044 0.000 0.627 99 A CB -0.883 18.143 19.000 0.043 0.000 0.815 99 A HN 0.659 nan 8.150 nan 0.000 0.443 100 H N 0.649 119.488 119.070 -0.384 0.000 2.319 100 H HA -0.111 5.123 4.556 1.131 0.000 0.299 100 H C 1.872 177.082 175.328 -0.197 0.000 1.092 100 H CA 2.188 58.005 56.048 -0.385 0.000 1.302 100 H CB -0.117 29.109 29.762 -0.893 0.000 1.373 100 H HN 0.394 nan 8.280 nan 0.000 0.497 101 N N 0.169 118.695 118.700 -0.290 0.000 2.188 101 N HA -0.096 5.323 4.740 1.132 0.000 0.184 101 N C 2.048 177.467 175.510 -0.153 0.000 1.018 101 N CA 1.405 54.327 53.050 -0.213 0.000 0.858 101 N CB -0.130 38.309 38.487 -0.080 0.000 0.989 101 N HN 0.472 nan 8.380 nan 0.000 0.426 102 I N 0.310 120.819 120.570 -0.102 0.000 2.439 102 I HA -0.131 4.718 4.170 1.132 0.000 0.251 102 I C 1.545 177.635 176.117 -0.046 0.000 1.139 102 I CA 0.810 62.088 61.300 -0.037 0.000 1.438 102 I CB 0.046 38.044 38.000 -0.003 0.000 1.085 102 I HN 0.040 nan 8.210 nan 0.000 0.427 103 L N -0.728 120.448 121.223 -0.078 0.000 2.513 103 L HA 0.012 5.031 4.340 1.132 0.000 0.222 103 L C 2.218 179.070 176.870 -0.030 0.000 1.096 103 L CA -0.049 54.752 54.840 -0.064 0.000 0.857 103 L CB -0.126 41.956 42.059 0.038 0.000 1.026 103 L HN 0.182 nan 8.230 nan 0.000 0.469 104 L N 1.746 122.900 121.223 -0.114 0.000 2.081 104 L HA -0.118 4.902 4.340 1.132 0.000 0.212 104 L C -0.516 176.343 176.870 -0.018 0.000 1.080 104 L CA 2.169 56.975 54.840 -0.057 0.000 0.754 104 L CB -1.209 40.686 42.059 -0.273 0.000 0.893 104 L HN 0.086 nan 8.230 nan 0.000 0.433 105 P HA -0.093 nan 4.420 nan 0.000 0.221 105 P C 1.534 178.634 177.300 -0.333 0.000 1.145 105 P CA 1.341 64.322 63.100 -0.199 0.000 0.795 105 P CB -0.018 31.555 31.700 -0.212 0.000 0.775 106 S N -1.989 113.435 115.700 -0.461 0.000 2.561 106 S HA 0.059 5.208 4.470 1.132 0.000 0.225 106 S C 0.591 174.762 174.600 -0.714 0.000 0.977 106 S CA 0.672 58.485 58.200 -0.645 0.000 0.926 106 S CB -0.661 62.073 63.200 -0.776 0.000 0.769 106 S HN 0.165 nan 8.310 nan 0.000 0.533 107 F N 1.537 121.486 119.950 -0.001 0.000 2.764 107 F HA 0.290 5.495 4.527 1.131 0.000 0.310 107 F C 1.104 176.930 175.800 0.044 0.000 1.124 107 F CA -0.759 57.308 58.000 0.112 0.000 1.252 107 F CB -0.091 38.981 39.000 0.120 0.000 1.010 107 F HN 0.006 nan 8.300 nan 0.000 0.518 108 S N -0.550 115.163 115.700 0.022 0.000 2.608 108 S HA 0.094 5.244 4.470 1.132 0.000 0.261 108 S C 1.350 175.935 174.600 -0.025 0.000 1.314 108 S CA -0.607 57.591 58.200 -0.004 0.000 0.992 108 S CB 1.034 64.194 63.200 -0.066 0.000 0.935 108 S HN 0.176 nan 8.310 nan 0.000 0.564 109 Q N 0.375 120.165 119.800 -0.016 0.000 2.124 109 Q HA -0.161 4.859 4.340 1.132 0.000 0.202 109 Q C 2.165 178.073 176.000 -0.153 0.000 0.977 109 Q CA 1.835 57.619 55.803 -0.031 0.000 0.850 109 Q CB -0.726 28.011 28.738 -0.000 0.000 0.901 109 Q HN 0.904 nan 8.270 nan 0.000 0.429 110 Q N 0.211 119.915 119.800 -0.160 0.000 2.084 110 Q HA -0.067 4.952 4.340 1.132 0.000 0.202 110 Q C 1.851 177.672 176.000 -0.299 0.000 0.978 110 Q CA 1.794 57.469 55.803 -0.213 0.000 0.844 110 Q CB -0.357 28.286 28.738 -0.158 0.000 0.898 110 Q HN 0.367 nan 8.270 nan 0.000 0.426 111 A N -0.323 122.301 122.820 -0.327 0.000 1.898 111 A HA -0.162 4.837 4.320 1.132 0.000 0.216 111 A C 1.958 179.075 177.584 -0.779 0.000 1.181 111 A CA 1.621 53.306 52.037 -0.587 0.000 0.620 111 A CB -0.481 18.177 19.000 -0.569 0.000 0.819 111 A HN 0.381 nan 8.150 nan 0.000 0.442 112 M N -0.053 119.326 119.600 -0.369 0.000 2.108 112 M HA -0.143 5.016 4.480 1.132 0.000 0.261 112 M C 1.911 178.080 176.300 -0.219 0.000 1.066 112 M CA 1.659 56.877 55.300 -0.136 0.000 1.107 112 M CB -1.190 31.439 32.600 0.049 0.000 1.356 112 M HN 0.412 nan 8.290 nan 0.000 0.406 113 K N -0.539 119.592 120.400 -0.447 0.000 2.147 113 K HA -0.091 4.908 4.320 1.132 0.000 0.205 113 K C 2.014 178.454 176.600 -0.267 0.000 1.049 113 K CA 1.304 57.234 56.287 -0.595 0.000 0.936 113 K CB -0.482 31.596 32.500 -0.703 0.000 0.722 113 K HN 0.486 nan 8.250 nan 0.000 0.446 114 G N -0.307 108.307 108.800 -0.309 0.000 2.511 114 G HA2 -0.180 4.459 3.960 1.132 0.000 0.217 114 G HA3 -0.180 4.459 3.960 1.132 0.000 0.217 114 G C 0.902 175.755 174.900 -0.077 0.000 1.133 114 G CA 0.389 45.355 45.100 -0.224 0.000 0.792 114 G HN 0.200 nan 8.290 nan 0.000 0.539 115 Y N -0.633 119.671 120.300 0.006 0.000 2.490 115 Y HA 0.126 5.355 4.550 1.131 0.000 0.285 115 Y C 2.319 178.256 175.900 0.061 0.000 1.117 115 Y CA -0.213 57.909 58.100 0.036 0.000 1.262 115 Y CB -0.907 37.573 38.460 0.033 0.000 1.043 115 Y HN 0.398 nan 8.280 nan 0.000 0.553 116 H N 0.462 119.633 119.070 0.169 0.000 2.321 116 H HA -0.250 4.983 4.556 1.129 0.000 0.295 116 H C 2.278 177.703 175.328 0.161 0.000 1.102 116 H CA 2.211 58.384 56.048 0.209 0.000 1.266 116 H CB -0.111 29.814 29.762 0.271 0.000 1.363 116 H HN 0.239 nan 8.280 nan 0.000 0.492 117 A N 0.211 123.135 122.820 0.173 0.000 1.940 117 A HA -0.207 4.792 4.320 1.132 0.000 0.219 117 A C 2.504 180.109 177.584 0.037 0.000 1.176 117 A CA 1.970 54.063 52.037 0.093 0.000 0.631 117 A CB -0.657 18.408 19.000 0.108 0.000 0.814 117 A HN 0.567 nan 8.150 nan 0.000 0.446 118 M N -1.355 118.287 119.600 0.070 0.000 2.254 118 M HA -0.045 5.114 4.480 1.132 0.000 0.265 118 M C 2.289 178.611 176.300 0.038 0.000 1.066 118 M CA 1.209 56.550 55.300 0.068 0.000 1.123 118 M CB -0.341 32.324 32.600 0.108 0.000 1.388 118 M HN 0.416 nan 8.290 nan 0.000 0.425 119 M N -0.647 118.952 119.600 -0.002 0.000 2.175 119 M HA -0.161 4.998 4.480 1.132 0.000 0.264 119 M C 2.126 178.380 176.300 -0.076 0.000 1.063 119 M CA 1.185 56.461 55.300 -0.041 0.000 1.119 119 M CB -0.438 32.110 32.600 -0.086 0.000 1.377 119 M HN 0.107 nan 8.290 nan 0.000 0.415 120 V N 0.656 120.484 119.914 -0.145 0.000 2.407 120 V HA -0.283 4.516 4.120 1.132 0.000 0.248 120 V C 2.190 178.257 176.094 -0.046 0.000 1.055 120 V CA 2.002 64.234 62.300 -0.112 0.000 1.049 120 V CB -0.777 30.981 31.823 -0.109 0.000 0.662 120 V HN 0.522 nan 8.190 nan 0.000 0.455 121 D N 0.409 120.800 120.400 -0.014 0.000 2.116 121 D HA -0.195 5.124 4.640 1.132 0.000 0.193 121 D C 2.010 178.319 176.300 0.015 0.000 0.998 121 D CA 1.645 55.651 54.000 0.009 0.000 0.836 121 D CB 0.015 40.836 40.800 0.036 0.000 0.951 121 D HN 0.324 nan 8.370 nan 0.000 0.449 122 I N 1.241 121.838 120.570 0.044 0.000 2.353 122 I HA -0.105 4.745 4.170 1.132 0.000 0.248 122 I C 2.694 178.814 176.117 0.004 0.000 1.119 122 I CA 0.692 62.048 61.300 0.094 0.000 1.417 122 I CB -1.649 36.449 38.000 0.163 0.000 1.078 122 I HN -0.032 nan 8.210 nan 0.000 0.421 123 A N 0.795 123.594 122.820 -0.035 0.000 1.933 123 A HA -0.120 4.879 4.320 1.132 0.000 0.218 123 A C 2.561 180.042 177.584 -0.172 0.000 1.175 123 A CA 1.567 53.548 52.037 -0.094 0.000 0.628 123 A CB -0.911 18.050 19.000 -0.065 0.000 0.814 123 A HN 0.229 nan 8.150 nan 0.000 0.444 124 V N 0.071 119.902 119.914 -0.139 0.000 2.343 124 V HA -0.318 4.481 4.120 1.132 0.000 0.247 124 V C 2.632 178.573 176.094 -0.255 0.000 1.051 124 V CA 2.232 64.431 62.300 -0.169 0.000 1.036 124 V CB -0.859 30.901 31.823 -0.105 0.000 0.654 124 V HN 0.640 nan 8.190 nan 0.000 0.451 125 Q N -0.841 118.791 119.800 -0.280 0.000 2.124 125 Q HA -0.233 4.787 4.340 1.132 0.000 0.202 125 Q C 2.268 177.715 176.000 -0.921 0.000 0.977 125 Q CA 1.753 57.278 55.803 -0.464 0.000 0.850 125 Q CB -0.283 28.267 28.738 -0.313 0.000 0.901 125 Q HN 0.564 nan 8.270 nan 0.000 0.429 126 L N 0.006 120.635 121.223 -0.989 0.000 2.027 126 L HA -0.139 4.880 4.340 1.132 0.000 0.206 126 L C 2.133 178.472 176.870 -0.885 0.000 1.074 126 L CA 1.382 55.518 54.840 -1.173 0.000 0.745 126 L CB -0.455 41.149 42.059 -0.759 0.000 0.898 126 L HN -0.051 nan 8.230 nan 0.000 0.433 127 V N -0.178 119.430 119.914 -0.510 0.000 2.343 127 V HA -0.326 4.473 4.120 1.132 0.000 0.247 127 V C 2.595 178.638 176.094 -0.086 0.000 1.051 127 V CA 2.115 64.307 62.300 -0.180 0.000 1.036 127 V CB -0.709 31.006 31.823 -0.181 0.000 0.654 127 V HN 0.577 nan 8.190 nan 0.000 0.451 128 Q N -0.251 119.420 119.800 -0.215 0.000 2.124 128 Q HA -0.262 4.758 4.340 1.132 0.000 0.202 128 Q C 2.365 178.298 176.000 -0.111 0.000 0.977 128 Q CA 1.743 57.463 55.803 -0.139 0.000 0.850 128 Q CB -0.247 28.389 28.738 -0.169 0.000 0.901 128 Q HN 0.615 nan 8.270 nan 0.000 0.429 129 K N 0.143 120.396 120.400 -0.246 0.000 2.032 129 K HA -0.192 4.807 4.320 1.132 0.000 0.209 129 K C 1.653 178.320 176.600 0.113 0.000 1.048 129 K CA 1.506 57.717 56.287 -0.128 0.000 0.927 129 K CB -0.032 32.330 32.500 -0.231 0.000 0.712 129 K HN 0.204 nan 8.250 nan 0.000 0.441 130 W N 1.808 123.026 121.300 -0.135 0.000 2.388 130 W HA -0.038 5.295 4.660 1.120 0.000 0.294 130 W C 1.984 178.509 176.519 0.009 0.000 1.212 130 W CA 0.358 57.590 57.345 -0.187 0.000 1.271 130 W CB -0.685 28.435 29.460 -0.567 0.000 1.126 130 W HN 0.192 nan 8.180 nan 0.000 0.535 131 E N 0.196 120.644 120.200 0.413 0.000 2.153 131 E HA -0.165 4.864 4.350 1.132 0.000 0.194 131 E C 1.887 178.573 176.600 0.144 0.000 0.988 131 E CA 1.080 57.669 56.400 0.314 0.000 0.811 131 E CB -0.332 29.464 29.700 0.160 0.000 0.746 131 E HN 0.392 nan 8.360 nan 0.000 0.466 132 R N 0.126 120.682 120.500 0.093 0.000 2.299 132 R HA 0.158 5.177 4.340 1.132 0.000 0.197 132 R C 0.824 177.139 176.300 0.026 0.000 0.971 132 R CA -0.129 55.995 56.100 0.040 0.000 1.030 132 R CB 0.082 30.388 30.300 0.010 0.000 0.932 132 R HN 0.057 nan 8.270 nan 0.000 0.477 133 L N 1.828 123.069 121.223 0.030 0.000 2.461 133 L HA 0.023 5.042 4.340 1.132 0.000 0.272 133 L C 0.541 177.397 176.870 -0.024 0.000 1.197 133 L CA -0.089 54.741 54.840 -0.018 0.000 0.836 133 L CB 0.183 42.202 42.059 -0.067 0.000 1.105 133 L HN 0.145 nan 8.230 nan 0.000 0.477 134 N N 0.850 119.527 118.700 -0.038 0.000 2.408 134 N HA 0.145 5.564 4.740 1.132 0.000 0.260 134 N C 0.812 176.295 175.510 -0.045 0.000 1.242 134 N CA 0.192 53.223 53.050 -0.032 0.000 0.959 134 N CB 1.101 39.570 38.487 -0.029 0.000 1.201 134 N HN 0.722 nan 8.380 nan 0.000 0.511 135 A N 0.964 123.763 122.820 -0.035 0.000 1.917 135 A HA -0.263 4.736 4.320 1.132 0.000 0.219 135 A C 1.441 178.993 177.584 -0.052 0.000 1.182 135 A CA 2.365 54.377 52.037 -0.040 0.000 0.633 135 A CB -0.705 18.279 19.000 -0.027 0.000 0.819 135 A HN 0.805 nan 8.150 nan 0.000 0.448 136 D N 0.632 121.007 120.400 -0.042 0.000 2.117 136 D HA -0.081 5.239 4.640 1.132 0.000 0.197 136 D C 0.705 176.978 176.300 -0.046 0.000 0.987 136 D CA 1.084 55.063 54.000 -0.034 0.000 0.829 136 D CB -0.703 40.087 40.800 -0.017 0.000 0.961 136 D HN 0.673 nan 8.370 nan 0.000 0.460 137 E N 0.799 120.954 120.200 -0.074 0.000 2.459 137 E HA 0.061 5.091 4.350 1.132 0.000 0.264 137 E C 0.579 177.078 176.600 -0.168 0.000 1.055 137 E CA 0.293 56.616 56.400 -0.128 0.000 0.957 137 E CB 0.278 29.884 29.700 -0.158 0.000 0.952 137 E HN 0.525 nan 8.360 nan 0.000 0.448 138 H N -0.211 118.736 119.070 -0.205 0.000 2.869 138 H HA 0.581 5.816 4.556 1.131 0.000 0.342 138 H C -0.705 174.459 175.328 -0.273 0.000 1.250 138 H CA -1.119 54.755 56.048 -0.291 0.000 1.217 138 H CB 0.756 30.381 29.762 -0.227 0.000 1.917 138 H HN 0.297 nan 8.280 nan 0.000 0.586 139 I N 0.847 121.282 120.570 -0.226 0.000 2.441 139 I HA 0.139 4.989 4.170 1.132 0.000 0.295 139 I C -0.177 175.848 176.117 -0.153 0.000 0.994 139 I CA -0.542 60.549 61.300 -0.347 0.000 1.144 139 I CB 2.045 39.581 38.000 -0.774 0.000 1.314 139 I HN 0.459 nan 8.210 nan 0.000 0.445 140 E N 5.092 125.237 120.200 -0.091 0.000 2.001 140 E HA 0.149 5.178 4.350 1.132 0.000 0.279 140 E C 0.631 177.179 176.600 -0.088 0.000 1.045 140 E CA -0.281 56.083 56.400 -0.060 0.000 0.833 140 E CB 1.529 31.226 29.700 -0.005 0.000 1.077 140 E HN 0.446 nan 8.360 nan 0.000 0.397 141 V N 5.583 125.352 119.914 -0.242 0.000 2.237 141 V HA -0.182 4.618 4.120 1.132 0.000 0.245 141 V C -0.816 175.268 176.094 -0.017 0.000 1.046 141 V CA 1.704 63.888 62.300 -0.194 0.000 1.007 141 V CB -1.163 30.329 31.823 -0.551 0.000 0.638 141 V HN 0.611 nan 8.190 nan 0.000 0.445 142 P HA -0.129 nan 4.420 nan 0.000 0.218 142 P C 1.266 178.580 177.300 0.023 0.000 1.149 142 P CA 1.347 64.447 63.100 -0.000 0.000 0.817 142 P CB 0.101 31.773 31.700 -0.045 0.000 0.785 143 E N 0.117 120.327 120.200 0.017 0.000 2.047 143 E HA -0.146 4.883 4.350 1.132 0.000 0.191 143 E C 1.836 178.465 176.600 0.049 0.000 0.987 143 E CA 1.229 57.643 56.400 0.024 0.000 0.799 143 E CB -0.821 28.890 29.700 0.019 0.000 0.752 143 E HN 0.202 nan 8.360 nan 0.000 0.449 144 D N -0.703 119.772 120.400 0.126 0.000 2.224 144 D HA -0.062 5.257 4.640 1.132 0.000 0.205 144 D C 1.629 178.037 176.300 0.181 0.000 0.965 144 D CA 0.658 54.791 54.000 0.221 0.000 0.852 144 D CB 0.031 41.114 40.800 0.471 0.000 0.947 144 D HN 0.113 nan 8.370 nan 0.000 0.494 145 M N 0.108 119.802 119.600 0.157 0.000 2.229 145 M HA -0.059 5.101 4.480 1.132 0.000 0.264 145 M C 2.030 178.395 176.300 0.108 0.000 1.063 145 M CA 0.992 56.376 55.300 0.140 0.000 1.114 145 M CB -1.150 31.530 32.600 0.133 0.000 1.387 145 M HN -0.090 nan 8.290 nan 0.000 0.420 146 T N 0.288 114.888 114.554 0.077 0.000 2.821 146 T HA -0.071 4.958 4.350 1.132 0.000 0.267 146 T C 2.009 176.682 174.700 -0.046 0.000 1.046 146 T CA 1.007 63.159 62.100 0.086 0.000 1.139 146 T CB -0.073 68.840 68.868 0.076 0.000 0.871 146 T HN 0.362 nan 8.240 nan 0.000 0.454 147 R N 0.394 120.795 120.500 -0.165 0.000 2.083 147 R HA -0.039 4.980 4.340 1.132 0.000 0.237 147 R C 2.463 178.534 176.300 -0.381 0.000 1.137 147 R CA 1.266 57.093 56.100 -0.454 0.000 0.951 147 R CB -0.641 29.081 30.300 -0.962 0.000 0.851 147 R HN 0.307 nan 8.270 nan 0.000 0.434 148 L N 0.798 121.959 121.223 -0.104 0.000 2.017 148 L HA -0.176 4.843 4.340 1.132 0.000 0.208 148 L C 2.519 179.461 176.870 0.119 0.000 1.073 148 L CA 2.179 57.103 54.840 0.140 0.000 0.745 148 L CB -0.489 41.707 42.059 0.229 0.000 0.894 148 L HN 0.304 nan 8.230 nan 0.000 0.432 149 T N -2.421 112.211 114.554 0.131 0.000 2.857 149 T HA -0.179 4.851 4.350 1.132 0.000 0.266 149 T C 1.846 176.648 174.700 0.170 0.000 1.048 149 T CA 1.153 63.379 62.100 0.211 0.000 1.139 149 T CB -0.639 68.396 68.868 0.278 0.000 0.874 149 T HN 0.295 nan 8.240 nan 0.000 0.455 150 L N 1.832 123.020 121.223 -0.058 0.000 2.027 150 L HA 0.043 5.062 4.340 1.132 0.000 0.206 150 L C 1.829 178.630 176.870 -0.116 0.000 1.074 150 L CA 1.975 56.568 54.840 -0.412 0.000 0.745 150 L CB -0.880 40.693 42.059 -0.810 0.000 0.898 150 L HN 0.064 nan 8.230 nan 0.000 0.433 151 D N -1.147 119.250 120.400 -0.005 0.000 2.178 151 D HA -0.144 5.175 4.640 1.132 0.000 0.201 151 D C 2.075 178.514 176.300 0.231 0.000 0.980 151 D CA 1.598 55.708 54.000 0.183 0.000 0.842 151 D CB -0.125 40.756 40.800 0.136 0.000 0.948 151 D HN 0.371 nan 8.370 nan 0.000 0.472 152 T N 0.397 115.078 114.554 0.212 0.000 2.737 152 T HA -0.121 4.908 4.350 1.132 0.000 0.265 152 T C 1.919 176.816 174.700 0.328 0.000 1.038 152 T CA 0.483 62.731 62.100 0.248 0.000 1.144 152 T CB -0.211 68.803 68.868 0.244 0.000 0.866 152 T HN 0.073 nan 8.240 nan 0.000 0.434 153 I N 1.527 122.305 120.570 0.347 0.000 2.315 153 I HA 0.037 4.886 4.170 1.132 0.000 0.248 153 I C 2.404 178.753 176.117 0.387 0.000 1.117 153 I CA 1.015 62.504 61.300 0.314 0.000 1.404 153 I CB -0.816 37.355 38.000 0.285 0.000 1.071 153 I HN 0.241 nan 8.210 nan 0.000 0.419 154 G N 0.364 109.448 108.800 0.473 0.000 2.421 154 G HA2 -0.263 4.377 3.960 1.132 0.000 0.216 154 G HA3 -0.263 4.377 3.960 1.132 0.000 0.216 154 G C 1.599 176.713 174.900 0.357 0.000 1.171 154 G CA 1.096 46.543 45.100 0.579 0.000 0.775 154 G HN 0.418 nan 8.290 nan 0.000 0.543 155 L N 0.418 121.787 121.223 0.242 0.000 2.023 155 L HA 0.066 5.085 4.340 1.132 0.000 0.205 155 L C 2.817 179.750 176.870 0.105 0.000 1.073 155 L CA 1.573 56.501 54.840 0.146 0.000 0.745 155 L CB -0.778 41.355 42.059 0.123 0.000 0.900 155 L HN 0.257 nan 8.230 nan 0.000 0.435 156 C N -0.111 119.247 119.300 0.096 0.000 2.440 156 C HA 0.033 5.173 4.460 1.132 0.000 0.278 156 C C 2.651 177.520 174.990 -0.201 0.000 1.295 156 C CA 0.672 59.682 59.018 -0.012 0.000 1.738 156 C CB -1.801 25.914 27.740 -0.042 0.000 1.987 156 C HN 0.748 nan 8.230 nan 0.000 0.492 157 G N -1.362 107.270 108.800 -0.279 0.000 2.492 157 G HA2 0.082 4.722 3.960 1.132 0.000 0.214 157 G HA3 0.082 4.722 3.960 1.132 0.000 0.214 157 G C 0.928 175.213 174.900 -1.024 0.000 1.147 157 G CA 0.486 45.135 45.100 -0.751 0.000 0.809 157 G HN 0.528 nan 8.290 nan 0.000 0.533 158 F N -0.872 119.080 119.950 0.004 0.000 2.838 158 F HA 0.343 5.549 4.527 1.131 0.000 0.329 158 F C 0.844 176.666 175.800 0.036 0.000 1.116 158 F CA -0.977 57.025 58.000 0.004 0.000 1.155 158 F CB 0.038 39.025 39.000 -0.021 0.000 1.106 158 F HN 0.023 nan 8.300 nan 0.000 0.538 159 N N 1.164 119.942 118.700 0.130 0.000 2.716 159 N HA -0.318 5.101 4.740 1.132 0.000 0.250 159 N C -1.076 174.510 175.510 0.127 0.000 1.033 159 N CA 0.522 53.633 53.050 0.101 0.000 0.727 159 N CB -1.459 37.067 38.487 0.064 0.000 0.950 159 N HN 0.488 nan 8.380 nan 0.000 0.541 160 Y N 0.169 120.458 120.300 -0.017 0.000 2.376 160 Y HA 0.529 5.758 4.550 1.131 0.000 0.340 160 Y C -0.026 175.741 175.900 -0.221 0.000 0.965 160 Y CA -1.016 56.989 58.100 -0.159 0.000 1.078 160 Y CB 1.019 39.308 38.460 -0.285 0.000 1.193 160 Y HN 0.015 nan 8.280 nan 0.000 0.452 161 R N 6.090 126.145 120.500 -0.743 0.000 2.215 161 R HA 0.196 5.215 4.340 1.132 0.000 0.336 161 R C -0.137 175.800 176.300 -0.605 0.000 0.996 161 R CA -0.300 55.516 56.100 -0.474 0.000 0.847 161 R CB 0.446 30.583 30.300 -0.271 0.000 1.127 161 R HN 0.769 nan 8.270 nan 0.000 0.465 162 F N 1.338 121.179 119.950 -0.181 0.000 2.407 162 F HA -0.051 5.155 4.527 1.132 0.000 0.299 162 F C 0.828 176.638 175.800 0.017 0.000 1.097 162 F CA 0.344 58.291 58.000 -0.089 0.000 1.422 162 F CB 0.036 38.922 39.000 -0.190 0.000 1.067 162 F HN 0.527 nan 8.300 nan 0.000 0.539 163 N N 0.302 119.102 118.700 0.168 0.000 2.714 163 N HA -0.203 5.216 4.740 1.132 0.000 0.252 163 N C 1.044 176.730 175.510 0.294 0.000 1.014 163 N CA 0.839 54.044 53.050 0.258 0.000 0.735 163 N CB -1.295 37.250 38.487 0.096 0.000 0.924 163 N HN 0.151 nan 8.380 nan 0.000 0.540 164 S N -0.956 114.818 115.700 0.123 0.000 2.423 164 S HA -0.010 5.139 4.470 1.132 0.000 0.231 164 S C 1.301 175.797 174.600 -0.173 0.000 1.014 164 S CA 0.579 58.742 58.200 -0.061 0.000 0.965 164 S CB -0.062 62.961 63.200 -0.295 0.000 0.785 164 S HN 0.434 nan 8.310 nan 0.000 0.495 165 F N -0.142 119.844 119.950 0.059 0.000 2.802 165 F HA 0.173 5.378 4.527 1.130 0.000 0.300 165 F C 0.943 176.600 175.800 -0.239 0.000 1.168 165 F CA 0.021 57.954 58.000 -0.112 0.000 1.433 165 F CB -0.446 38.429 39.000 -0.209 0.000 1.115 165 F HN 0.232 nan 8.300 nan 0.000 0.582 166 Y N -0.297 120.086 120.300 0.139 0.000 2.461 166 Y HA 0.244 5.474 4.550 1.133 0.000 0.277 166 Y C 0.574 176.511 175.900 0.062 0.000 1.182 166 Y CA -0.163 57.993 58.100 0.093 0.000 1.276 166 Y CB -0.046 38.455 38.460 0.068 0.000 1.087 166 Y HN -0.231 nan 8.280 nan 0.000 0.519 167 R N 0.440 121.022 120.500 0.136 0.000 2.750 167 R HA 0.193 5.212 4.340 1.132 0.000 0.281 167 R C 0.003 176.334 176.300 0.051 0.000 0.972 167 R CA -0.318 55.835 56.100 0.089 0.000 0.912 167 R CB 1.259 31.610 30.300 0.084 0.000 1.187 167 R HN 0.194 nan 8.270 nan 0.000 0.464 168 D N 0.771 121.195 120.400 0.040 0.000 2.388 168 D HA -0.081 5.238 4.640 1.132 0.000 0.208 168 D C 0.017 176.329 176.300 0.020 0.000 1.035 168 D CA 0.315 54.331 54.000 0.027 0.000 0.875 168 D CB 0.715 41.527 40.800 0.020 0.000 0.984 168 D HN 0.572 nan 8.370 nan 0.000 0.508 169 Q N 0.975 120.788 119.800 0.022 0.000 2.297 169 Q HA 0.562 5.581 4.340 1.132 0.000 0.268 169 Q C -2.953 173.062 176.000 0.024 0.000 1.045 169 Q CA -2.129 53.684 55.803 0.017 0.000 0.861 169 Q CB 1.497 30.241 28.738 0.011 0.000 1.344 169 Q HN -0.295 nan 8.270 nan 0.000 0.452 170 P HA -0.098 nan 4.420 nan 0.000 0.265 170 P C -0.877 176.467 177.300 0.072 0.000 1.187 170 P CA 0.216 63.344 63.100 0.046 0.000 0.766 170 P CB 0.297 32.015 31.700 0.029 0.000 0.820 171 H N 4.894 123.977 119.070 0.021 0.000 2.764 171 H HA 0.047 5.282 4.556 1.133 0.000 0.341 171 H C -1.465 173.902 175.328 0.066 0.000 1.072 171 H CA -1.397 54.690 56.048 0.064 0.000 1.444 171 H CB 0.674 30.482 29.762 0.076 0.000 1.458 171 H HN 0.278 nan 8.280 nan 0.000 0.572 172 P HA -0.189 nan 4.420 nan 0.000 0.217 172 P C 1.373 178.769 177.300 0.160 0.000 1.148 172 P CA 1.041 64.198 63.100 0.093 0.000 0.828 172 P CB -0.129 31.598 31.700 0.045 0.000 0.783 173 F N 0.128 120.214 119.950 0.226 0.000 2.069 173 F HA -0.207 4.999 4.527 1.131 0.000 0.298 173 F C 1.974 177.755 175.800 -0.032 0.000 1.113 173 F CA 1.526 59.571 58.000 0.075 0.000 1.214 173 F CB -0.613 38.395 39.000 0.014 0.000 0.978 173 F HN -0.235 nan 8.300 nan 0.000 0.474 174 I N 0.056 120.676 120.570 0.082 0.000 2.179 174 I HA -0.264 4.585 4.170 1.132 0.000 0.242 174 I C 2.343 178.401 176.117 -0.098 0.000 1.088 174 I CA 1.745 63.024 61.300 -0.036 0.000 1.357 174 I CB -1.879 36.141 38.000 0.033 0.000 1.051 174 I HN 0.186 nan 8.210 nan 0.000 0.409 175 T N 0.619 115.144 114.554 -0.049 0.000 2.720 175 T HA -0.137 4.892 4.350 1.132 0.000 0.268 175 T C 2.175 176.803 174.700 -0.121 0.000 1.037 175 T CA 1.857 63.919 62.100 -0.063 0.000 1.144 175 T CB -0.127 68.722 68.868 -0.031 0.000 0.864 175 T HN 0.257 nan 8.240 nan 0.000 0.444 176 S N 0.727 116.320 115.700 -0.178 0.000 2.387 176 S HA 0.071 5.220 4.470 1.132 0.000 0.226 176 S C 1.997 176.379 174.600 -0.363 0.000 1.026 176 S CA 0.794 58.846 58.200 -0.247 0.000 0.972 176 S CB -0.305 62.739 63.200 -0.260 0.000 0.814 176 S HN 0.446 nan 8.310 nan 0.000 0.477 177 M N 1.329 120.637 119.600 -0.487 0.000 2.086 177 M HA -0.107 5.053 4.480 1.132 0.000 0.261 177 M C 1.896 178.035 176.300 -0.269 0.000 1.067 177 M CA 1.640 56.635 55.300 -0.509 0.000 1.116 177 M CB -0.372 31.878 32.600 -0.583 0.000 1.348 177 M HN 0.159 nan 8.290 nan 0.000 0.407 178 V N 0.586 120.394 119.914 -0.177 0.000 2.343 178 V HA -0.278 4.521 4.120 1.132 0.000 0.247 178 V C 2.491 178.541 176.094 -0.072 0.000 1.051 178 V CA 2.262 64.506 62.300 -0.092 0.000 1.036 178 V CB -0.968 30.819 31.823 -0.061 0.000 0.654 178 V HN 0.553 nan 8.190 nan 0.000 0.451 179 R N -0.081 120.366 120.500 -0.088 0.000 2.115 179 R HA -0.088 4.931 4.340 1.132 0.000 0.230 179 R C 2.233 178.533 176.300 0.000 0.000 1.111 179 R CA 1.378 57.451 56.100 -0.044 0.000 0.976 179 R CB -0.344 29.928 30.300 -0.048 0.000 0.870 179 R HN 0.506 nan 8.270 nan 0.000 0.445 180 A N 0.645 123.427 122.820 -0.064 0.000 1.897 180 A HA -0.072 4.927 4.320 1.132 0.000 0.215 180 A C 2.076 179.787 177.584 0.212 0.000 1.181 180 A CA 0.926 52.993 52.037 0.049 0.000 0.620 180 A CB -0.401 18.293 19.000 -0.511 0.000 0.821 180 A HN 0.309 nan 8.150 nan 0.000 0.443 181 L N -0.634 120.640 121.223 0.086 0.000 2.093 181 L HA -0.170 4.849 4.340 1.132 0.000 0.208 181 L C 2.335 179.255 176.870 0.084 0.000 1.085 181 L CA 1.664 56.586 54.840 0.138 0.000 0.755 181 L CB -0.499 41.597 42.059 0.061 0.000 0.904 181 L HN 0.440 nan 8.230 nan 0.000 0.435 182 D N 0.018 120.440 120.400 0.037 0.000 2.144 182 D HA -0.250 5.069 4.640 1.132 0.000 0.200 182 D C 2.051 178.344 176.300 -0.012 0.000 0.978 182 D CA 1.065 55.070 54.000 0.008 0.000 0.833 182 D CB 0.208 41.004 40.800 -0.007 0.000 0.961 182 D HN 0.215 nan 8.370 nan 0.000 0.470 183 E N 0.139 120.336 120.200 -0.006 0.000 2.077 183 E HA -0.094 4.935 4.350 1.132 0.000 0.193 183 E C 1.863 178.330 176.600 -0.220 0.000 0.989 183 E CA 1.533 57.859 56.400 -0.124 0.000 0.800 183 E CB -0.598 29.029 29.700 -0.122 0.000 0.746 183 E HN 0.264 nan 8.360 nan 0.000 0.452 184 A N 0.779 123.553 122.820 -0.077 0.000 1.902 184 A HA -0.174 4.826 4.320 1.132 0.000 0.217 184 A C 2.385 180.007 177.584 0.063 0.000 1.181 184 A CA 1.866 53.896 52.037 -0.011 0.000 0.623 184 A CB -0.707 18.431 19.000 0.229 0.000 0.818 184 A HN 0.493 nan 8.150 nan 0.000 0.443 185 M N -0.372 119.252 119.600 0.041 0.000 2.132 185 M HA -0.155 5.004 4.480 1.132 0.000 0.263 185 M C 1.444 177.739 176.300 -0.009 0.000 1.065 185 M CA 1.813 57.134 55.300 0.036 0.000 1.122 185 M CB -0.304 32.307 32.600 0.017 0.000 1.365 185 M HN 0.384 nan 8.290 nan 0.000 0.411 186 N N 0.679 119.338 118.700 -0.067 0.000 2.309 186 N HA -0.118 5.301 4.740 1.132 0.000 0.182 186 N C 1.366 176.772 175.510 -0.173 0.000 1.018 186 N CA 1.096 54.084 53.050 -0.105 0.000 0.876 186 N CB -0.265 38.152 38.487 -0.116 0.000 0.972 186 N HN 0.457 nan 8.380 nan 0.000 0.434 187 K N 0.647 120.889 120.400 -0.264 0.000 2.283 187 K HA 0.073 5.073 4.320 1.132 0.000 0.202 187 K C 1.898 178.449 176.600 -0.081 0.000 1.048 187 K CA 0.265 56.311 56.287 -0.402 0.000 0.948 187 K CB -0.018 31.909 32.500 -0.955 0.000 0.742 187 K HN 0.140 nan 8.250 nan 0.000 0.458 188 L N 1.008 122.298 121.223 0.112 0.000 2.081 188 L HA -0.259 4.760 4.340 1.132 0.000 0.212 188 L C 2.246 179.169 176.870 0.088 0.000 1.080 188 L CA 1.369 56.324 54.840 0.191 0.000 0.754 188 L CB -0.420 41.706 42.059 0.111 0.000 0.893 188 L HN 0.290 nan 8.230 nan 0.000 0.433 189 Q N -0.442 119.366 119.800 0.014 0.000 2.360 189 Q HA 0.037 5.056 4.340 1.132 0.000 0.202 189 Q C 0.496 176.481 176.000 -0.024 0.000 0.915 189 Q CA 0.244 56.048 55.803 0.002 0.000 0.943 189 Q CB -0.119 28.606 28.738 -0.020 0.000 1.064 189 Q HN 0.255 nan 8.270 nan 0.000 0.511 190 R N 0.868 121.323 120.500 -0.076 0.000 2.343 190 R HA 0.348 5.368 4.340 1.132 0.000 0.326 190 R C 0.589 176.878 176.300 -0.017 0.000 1.055 190 R CA 0.429 56.465 56.100 -0.107 0.000 0.961 190 R CB 0.663 30.750 30.300 -0.353 0.000 0.978 190 R HN 0.386 nan 8.270 nan 0.000 0.443 191 A N 4.088 126.926 122.820 0.031 0.000 1.929 191 A HA -0.083 4.916 4.320 1.132 0.000 0.216 191 A C 0.514 178.136 177.584 0.063 0.000 1.176 191 A CA 0.924 52.989 52.037 0.047 0.000 0.628 191 A CB 0.156 19.183 19.000 0.045 0.000 0.816 191 A HN 0.653 nan 8.150 nan 0.000 0.444 192 N N -0.231 118.532 118.700 0.106 0.000 2.904 192 N HA 0.256 5.675 4.740 1.132 0.000 0.257 192 N C -2.560 173.065 175.510 0.192 0.000 1.363 192 N CA -1.229 51.898 53.050 0.128 0.000 0.856 192 N CB 0.900 39.462 38.487 0.125 0.000 1.166 192 N HN 0.085 nan 8.380 nan 0.000 0.499 193 P HA -0.105 nan 4.420 nan 0.000 0.218 193 P C 0.331 177.686 177.300 0.091 0.000 1.146 193 P CA 1.302 64.367 63.100 -0.058 0.000 0.813 193 P CB 0.372 32.013 31.700 -0.099 0.000 0.778 194 D N -1.453 119.018 120.400 0.118 0.000 2.368 194 D HA 0.036 5.355 4.640 1.132 0.000 0.218 194 D C 0.172 176.539 176.300 0.111 0.000 1.112 194 D CA 0.024 54.089 54.000 0.107 0.000 0.834 194 D CB -0.411 40.425 40.800 0.061 0.000 0.953 194 D HN 0.253 nan 8.370 nan 0.000 0.505 195 D N 0.749 121.240 120.400 0.151 0.000 2.423 195 D HA -0.000 5.319 4.640 1.132 0.000 0.238 195 D C -1.475 174.805 176.300 -0.033 0.000 1.142 195 D CA -1.220 52.794 54.000 0.023 0.000 0.884 195 D CB 1.666 42.428 40.800 -0.064 0.000 1.199 195 D HN -0.175 nan 8.370 nan 0.000 0.438 196 P HA -0.076 nan 4.420 nan 0.000 0.220 196 P C 0.641 177.863 177.300 -0.130 0.000 1.148 196 P CA 1.130 64.191 63.100 -0.064 0.000 0.803 196 P CB 0.051 31.720 31.700 -0.052 0.000 0.782 197 A N -1.757 120.896 122.820 -0.277 0.000 2.186 197 A HA -0.175 4.824 4.320 1.132 0.000 0.219 197 A C 0.953 178.296 177.584 -0.402 0.000 1.159 197 A CA 1.285 53.092 52.037 -0.383 0.000 0.680 197 A CB -1.418 17.257 19.000 -0.541 0.000 0.787 197 A HN 0.216 nan 8.150 nan 0.000 0.467 198 Y N -0.641 119.638 120.300 -0.034 0.000 2.507 198 Y HA 0.144 5.374 4.550 1.132 0.000 0.254 198 Y C 1.177 177.054 175.900 -0.038 0.000 1.171 198 Y CA -0.903 57.169 58.100 -0.047 0.000 1.238 198 Y CB -0.083 38.335 38.460 -0.070 0.000 1.148 198 Y HN 0.224 nan 8.280 nan 0.000 0.525 199 D N 0.587 121.029 120.400 0.071 0.000 2.117 199 D HA -0.187 5.132 4.640 1.132 0.000 0.197 199 D C 2.068 178.398 176.300 0.051 0.000 0.987 199 D CA 1.431 55.463 54.000 0.052 0.000 0.829 199 D CB 0.099 40.913 40.800 0.023 0.000 0.961 199 D HN 0.282 nan 8.370 nan 0.000 0.460 200 E N 1.024 121.249 120.200 0.042 0.000 2.110 200 E HA -0.138 4.891 4.350 1.132 0.000 0.193 200 E C 1.459 178.090 176.600 0.052 0.000 0.988 200 E CA 1.232 57.655 56.400 0.038 0.000 0.804 200 E CB -0.352 29.363 29.700 0.025 0.000 0.745 200 E HN 0.253 nan 8.360 nan 0.000 0.458 201 N N 0.110 118.850 118.700 0.067 0.000 2.120 201 N HA -0.103 5.316 4.740 1.132 0.000 0.188 201 N C 1.579 177.117 175.510 0.047 0.000 1.024 201 N CA 1.564 54.641 53.050 0.044 0.000 0.852 201 N CB -0.062 38.439 38.487 0.024 0.000 1.003 201 N HN 0.125 nan 8.380 nan 0.000 0.424 202 K N 0.484 120.914 120.400 0.052 0.000 2.057 202 K HA -0.079 4.920 4.320 1.132 0.000 0.207 202 K C 2.086 178.761 176.600 0.124 0.000 1.049 202 K CA 0.782 57.117 56.287 0.080 0.000 0.931 202 K CB -0.083 32.454 32.500 0.062 0.000 0.714 202 K HN 0.147 nan 8.250 nan 0.000 0.440 203 R N 1.258 121.808 120.500 0.083 0.000 2.081 203 R HA -0.219 4.801 4.340 1.132 0.000 0.235 203 R C 2.351 178.691 176.300 0.068 0.000 1.131 203 R CA 1.830 57.970 56.100 0.066 0.000 0.960 203 R CB -0.060 30.266 30.300 0.043 0.000 0.856 203 R HN 0.094 nan 8.270 nan 0.000 0.436 204 Q N -0.184 119.661 119.800 0.074 0.000 2.119 204 Q HA -0.157 4.863 4.340 1.132 0.000 0.201 204 Q C 1.697 177.757 176.000 0.099 0.000 0.972 204 Q CA 1.617 57.458 55.803 0.062 0.000 0.847 204 Q CB -0.440 28.330 28.738 0.053 0.000 0.903 204 Q HN 0.365 nan 8.270 nan 0.000 0.433 205 F N 0.465 120.391 119.950 -0.040 0.000 2.134 205 F HA -0.171 5.035 4.527 1.131 0.000 0.299 205 F C 1.979 177.757 175.800 -0.037 0.000 1.097 205 F CA 1.537 59.508 58.000 -0.048 0.000 1.264 205 F CB -0.163 38.817 39.000 -0.034 0.000 1.001 205 F HN 0.132 nan 8.300 nan 0.000 0.479 206 Q N 0.298 120.140 119.800 0.069 0.000 2.124 206 Q HA -0.236 4.783 4.340 1.132 0.000 0.202 206 Q C 2.224 178.177 176.000 -0.079 0.000 0.977 206 Q CA 1.734 57.519 55.803 -0.031 0.000 0.850 206 Q CB -0.680 28.083 28.738 0.042 0.000 0.901 206 Q HN 0.649 nan 8.270 nan 0.000 0.429 207 E N 0.678 120.849 120.200 -0.048 0.000 2.072 207 E HA -0.182 4.848 4.350 1.132 0.000 0.191 207 E C 1.040 177.574 176.600 -0.110 0.000 0.985 207 E CA 1.100 57.466 56.400 -0.057 0.000 0.801 207 E CB 0.192 29.875 29.700 -0.029 0.000 0.750 207 E HN 0.218 nan 8.360 nan 0.000 0.452 208 D N 0.535 120.839 120.400 -0.160 0.000 2.178 208 D HA -0.126 5.194 4.640 1.132 0.000 0.202 208 D C 2.047 178.148 176.300 -0.332 0.000 0.974 208 D CA 0.828 54.682 54.000 -0.243 0.000 0.841 208 D CB -0.096 40.541 40.800 -0.271 0.000 0.953 208 D HN 0.346 nan 8.370 nan 0.000 0.478 209 I N 0.801 121.144 120.570 -0.378 0.000 2.315 209 I HA -0.223 4.626 4.170 1.132 0.000 0.248 209 I C 2.445 178.466 176.117 -0.161 0.000 1.117 209 I CA 0.862 61.962 61.300 -0.333 0.000 1.404 209 I CB -0.106 37.707 38.000 -0.311 0.000 1.071 209 I HN -0.055 nan 8.210 nan 0.000 0.419 210 K N 1.144 121.474 120.400 -0.118 0.000 2.057 210 K HA -0.138 4.861 4.320 1.132 0.000 0.206 210 K C 2.062 178.635 176.600 -0.045 0.000 1.050 210 K CA 1.269 57.520 56.287 -0.059 0.000 0.935 210 K CB 0.048 32.523 32.500 -0.042 0.000 0.715 210 K HN 0.076 nan 8.250 nan 0.000 0.439 211 V N 1.731 121.607 119.914 -0.064 0.000 2.343 211 V HA -0.288 4.511 4.120 1.132 0.000 0.247 211 V C 2.414 178.521 176.094 0.021 0.000 1.051 211 V CA 2.010 64.295 62.300 -0.025 0.000 1.036 211 V CB -0.394 31.397 31.823 -0.054 0.000 0.654 211 V HN 0.414 nan 8.190 nan 0.000 0.451 212 M N -0.285 119.287 119.600 -0.046 0.000 2.159 212 M HA -0.149 5.011 4.480 1.132 0.000 0.263 212 M C 2.041 178.402 176.300 0.102 0.000 1.063 212 M CA 1.549 56.885 55.300 0.060 0.000 1.110 212 M CB -0.634 31.897 32.600 -0.116 0.000 1.374 212 M HN 0.394 nan 8.290 nan 0.000 0.411 213 N N 0.438 119.154 118.700 0.028 0.000 2.331 213 N HA -0.111 5.308 4.740 1.132 0.000 0.180 213 N C 0.980 176.493 175.510 0.005 0.000 1.019 213 N CA 1.032 54.092 53.050 0.017 0.000 0.881 213 N CB -0.121 38.366 38.487 -0.000 0.000 0.972 213 N HN 0.332 nan 8.380 nan 0.000 0.435 214 D N 0.872 121.281 120.400 0.016 0.000 2.183 214 D HA -0.087 5.233 4.640 1.132 0.000 0.203 214 D C 2.003 178.306 176.300 0.005 0.000 0.969 214 D CA 0.263 54.268 54.000 0.009 0.000 0.842 214 D CB -0.049 40.763 40.800 0.019 0.000 0.957 214 D HN 0.154 nan 8.370 nan 0.000 0.484 215 L N 0.524 121.774 121.223 0.044 0.000 2.056 215 L HA -0.101 4.918 4.340 1.132 0.000 0.207 215 L C 2.172 178.949 176.870 -0.154 0.000 1.078 215 L CA 1.167 56.002 54.840 -0.009 0.000 0.749 215 L CB -0.394 41.733 42.059 0.113 0.000 0.901 215 L HN -0.163 nan 8.230 nan 0.000 0.433 216 V N 0.134 119.989 119.914 -0.098 0.000 2.332 216 V HA -0.323 4.477 4.120 1.132 0.000 0.248 216 V C 2.304 178.310 176.094 -0.146 0.000 1.055 216 V CA 2.031 64.241 62.300 -0.150 0.000 1.038 216 V CB -0.837 30.943 31.823 -0.072 0.000 0.651 216 V HN 0.475 nan 8.190 nan 0.000 0.450 217 D N -0.068 120.276 120.400 -0.093 0.000 2.133 217 D HA -0.186 5.134 4.640 1.132 0.000 0.195 217 D C 2.248 178.489 176.300 -0.098 0.000 0.997 217 D CA 1.356 55.310 54.000 -0.077 0.000 0.840 217 D CB -0.236 40.536 40.800 -0.046 0.000 0.947 217 D HN 0.428 nan 8.370 nan 0.000 0.452 218 K N 0.128 120.453 120.400 -0.125 0.000 2.057 218 K HA -0.064 4.936 4.320 1.132 0.000 0.207 218 K C 2.350 178.815 176.600 -0.225 0.000 1.049 218 K CA 0.590 56.797 56.287 -0.134 0.000 0.931 218 K CB -0.086 32.343 32.500 -0.118 0.000 0.714 218 K HN 0.177 nan 8.250 nan 0.000 0.440 219 I N 0.802 121.124 120.570 -0.413 0.000 2.252 219 I HA -0.273 4.576 4.170 1.132 0.000 0.245 219 I C 2.222 178.238 176.117 -0.168 0.000 1.102 219 I CA 1.154 62.184 61.300 -0.450 0.000 1.385 219 I CB -0.137 37.511 38.000 -0.587 0.000 1.064 219 I HN 0.129 nan 8.210 nan 0.000 0.414 220 I N 0.566 121.058 120.570 -0.130 0.000 2.252 220 I HA -0.270 4.579 4.170 1.132 0.000 0.245 220 I C 2.762 178.856 176.117 -0.037 0.000 1.102 220 I CA 1.289 62.555 61.300 -0.058 0.000 1.385 220 I CB -0.364 37.605 38.000 -0.052 0.000 1.064 220 I HN 0.171 nan 8.210 nan 0.000 0.414 221 A N 0.264 123.058 122.820 -0.045 0.000 1.902 221 A HA -0.275 4.724 4.320 1.132 0.000 0.217 221 A C 1.895 179.476 177.584 -0.004 0.000 1.181 221 A CA 2.280 54.304 52.037 -0.021 0.000 0.623 221 A CB -0.745 18.242 19.000 -0.020 0.000 0.818 221 A HN 0.354 nan 8.150 nan 0.000 0.443 222 D N -1.180 119.224 120.400 0.006 0.000 2.123 222 D HA -0.152 5.167 4.640 1.132 0.000 0.196 222 D C 2.194 178.514 176.300 0.034 0.000 0.992 222 D CA 1.548 55.574 54.000 0.043 0.000 0.833 222 D CB -0.052 40.821 40.800 0.122 0.000 0.954 222 D HN 0.342 nan 8.370 nan 0.000 0.455 223 R N 1.214 121.730 120.500 0.027 0.000 2.066 223 R HA -0.021 4.998 4.340 1.132 0.000 0.232 223 R C 1.728 178.034 176.300 0.011 0.000 1.131 223 R CA 1.521 57.636 56.100 0.026 0.000 0.955 223 R CB -0.194 30.125 30.300 0.031 0.000 0.851 223 R HN 0.035 nan 8.270 nan 0.000 0.432 224 K N -0.380 120.022 120.400 0.003 0.000 2.032 224 K HA -0.059 4.940 4.320 1.132 0.000 0.209 224 K C 1.783 178.382 176.600 -0.002 0.000 1.048 224 K CA 1.670 57.956 56.287 -0.002 0.000 0.927 224 K CB -0.261 32.235 32.500 -0.006 0.000 0.712 224 K HN 0.276 nan 8.250 nan 0.000 0.441 225 A N 0.892 123.712 122.820 0.001 0.000 2.235 225 A HA 0.006 5.005 4.320 1.132 0.000 0.208 225 A C 0.895 178.480 177.584 0.001 0.000 1.172 225 A CA 0.198 52.235 52.037 -0.000 0.000 0.786 225 A CB -0.123 18.877 19.000 0.001 0.000 0.804 225 A HN 0.181 nan 8.150 nan 0.000 0.479 226 S N -1.630 114.073 115.700 0.003 0.000 2.610 226 S HA 0.500 5.649 4.470 1.132 0.000 0.273 226 S C 1.257 175.856 174.600 -0.002 0.000 1.274 226 S CA 0.042 58.243 58.200 0.003 0.000 1.023 226 S CB 1.382 64.588 63.200 0.010 0.000 0.962 226 S HN 0.415 nan 8.310 nan 0.000 0.523 227 G N 0.970 109.768 108.800 -0.004 0.000 2.724 227 G HA2 0.292 4.931 3.960 1.132 0.000 0.205 227 G HA3 0.292 4.931 3.960 1.132 0.000 0.205 227 G C 0.439 175.335 174.900 -0.007 0.000 1.112 227 G CA 0.485 45.582 45.100 -0.007 0.000 0.793 227 G HN 0.999 nan 8.290 nan 0.000 0.526 228 E N 0.508 120.705 120.200 -0.004 0.000 2.480 228 E HA 0.481 5.510 4.350 1.132 0.000 0.258 228 E C 0.301 176.898 176.600 -0.005 0.000 0.984 228 E CA 0.287 56.685 56.400 -0.004 0.000 0.930 228 E CB -0.778 28.922 29.700 0.000 0.000 0.936 228 E HN 0.851 nan 8.360 nan 0.000 0.466 229 Q N 1.706 121.501 119.800 -0.009 0.000 2.307 229 Q HA 0.524 5.543 4.340 1.132 0.000 0.259 229 Q C 0.068 176.060 176.000 -0.013 0.000 0.998 229 Q CA -0.156 55.638 55.803 -0.014 0.000 0.923 229 Q CB 0.415 29.142 28.738 -0.019 0.000 1.196 229 Q HN 0.687 nan 8.270 nan 0.000 0.416 230 S N 1.363 117.055 115.700 -0.014 0.000 2.578 230 S HA 0.640 5.789 4.470 1.132 0.000 0.301 230 S C -0.795 173.792 174.600 -0.022 0.000 1.091 230 S CA -0.534 57.661 58.200 -0.008 0.000 1.032 230 S CB 1.624 64.825 63.200 0.003 0.000 1.064 230 S HN 0.826 nan 8.310 nan 0.000 0.508 231 D N 1.409 121.804 120.400 -0.010 0.000 2.552 231 D HA 0.324 5.643 4.640 1.132 0.000 0.285 231 D C -1.099 175.232 176.300 0.052 0.000 1.206 231 D CA -0.433 53.561 54.000 -0.009 0.000 0.826 231 D CB 0.018 40.806 40.800 -0.021 0.000 1.179 231 D HN 0.521 nan 8.370 nan 0.000 0.508 232 D N -0.253 120.179 120.400 0.053 0.000 2.712 232 D HA 0.150 5.469 4.640 1.132 0.000 0.252 232 D C 1.265 177.568 176.300 0.005 0.000 1.123 232 D CA -0.773 53.262 54.000 0.058 0.000 1.109 232 D CB 0.206 41.005 40.800 -0.002 0.000 1.313 232 D HN 0.046 nan 8.370 nan 0.000 0.629 233 L N -0.516 120.573 121.223 -0.224 0.000 2.013 233 L HA -0.066 4.954 4.340 1.132 0.000 0.212 233 L C 2.027 178.737 176.870 -0.267 0.000 1.073 233 L CA 1.595 56.203 54.840 -0.387 0.000 0.753 233 L CB -0.982 40.635 42.059 -0.737 0.000 0.890 233 L HN 0.545 nan 8.230 nan 0.000 0.432 234 L N -1.239 119.798 121.223 -0.309 0.000 2.131 234 L HA -0.161 4.859 4.340 1.132 0.000 0.210 234 L C 2.300 179.155 176.870 -0.025 0.000 1.092 234 L CA 2.216 57.008 54.840 -0.081 0.000 0.759 234 L CB -0.974 41.115 42.059 0.051 0.000 0.903 234 L HN 0.331 nan 8.230 nan 0.000 0.435 235 T N -1.463 113.068 114.554 -0.037 0.000 2.708 235 T HA -0.217 4.812 4.350 1.132 0.000 0.266 235 T C 1.697 176.327 174.700 -0.116 0.000 1.037 235 T CA 1.967 64.023 62.100 -0.072 0.000 1.146 235 T CB -0.441 68.364 68.868 -0.105 0.000 0.865 235 T HN 0.487 nan 8.240 nan 0.000 0.435 236 H N 0.343 119.353 119.070 -0.100 0.000 2.389 236 H HA 0.164 5.400 4.556 1.133 0.000 0.299 236 H C 2.288 177.574 175.328 -0.070 0.000 1.081 236 H CA 1.176 57.170 56.048 -0.091 0.000 1.345 236 H CB -0.280 29.409 29.762 -0.121 0.000 1.393 236 H HN 0.242 nan 8.280 nan 0.000 0.520 237 M N -0.315 119.311 119.600 0.043 0.000 2.117 237 M HA -0.151 5.009 4.480 1.132 0.000 0.262 237 M C 1.707 178.021 176.300 0.024 0.000 1.065 237 M CA 1.499 56.819 55.300 0.033 0.000 1.114 237 M CB -0.092 32.536 32.600 0.046 0.000 1.361 237 M HN 0.232 nan 8.290 nan 0.000 0.408 238 L N -0.725 120.502 121.223 0.007 0.000 2.240 238 L HA -0.108 4.911 4.340 1.132 0.000 0.211 238 L C 1.634 178.491 176.870 -0.022 0.000 1.106 238 L CA 0.656 55.495 54.840 -0.003 0.000 0.793 238 L CB -0.391 41.664 42.059 -0.006 0.000 0.927 238 L HN 0.384 nan 8.230 nan 0.000 0.446 239 N N -0.708 117.963 118.700 -0.049 0.000 2.239 239 N HA 0.081 5.500 4.740 1.132 0.000 0.208 239 N C 0.930 176.398 175.510 -0.069 0.000 1.200 239 N CA 0.307 53.317 53.050 -0.067 0.000 0.895 239 N CB 0.627 39.052 38.487 -0.103 0.000 1.085 239 N HN 0.133 nan 8.380 nan 0.000 0.500 240 G N 1.283 110.045 108.800 -0.064 0.000 2.441 240 G HA2 0.247 4.887 3.960 1.132 0.000 0.243 240 G HA3 0.247 4.887 3.960 1.132 0.000 0.243 240 G C -0.230 174.665 174.900 -0.008 0.000 1.281 240 G CA -0.022 45.058 45.100 -0.033 0.000 0.854 240 G HN 0.030 nan 8.290 nan 0.000 0.560 241 K N 0.837 121.233 120.400 -0.007 0.000 2.207 241 K HA 0.217 5.217 4.320 1.132 0.000 0.255 241 K C -0.883 175.718 176.600 0.002 0.000 0.941 241 K CA -0.824 55.462 56.287 -0.001 0.000 0.825 241 K CB 2.054 34.551 32.500 -0.005 0.000 1.119 241 K HN 0.560 nan 8.250 nan 0.000 0.430 242 D N 2.954 123.355 120.400 0.002 0.000 2.383 242 D HA 0.073 5.392 4.640 1.132 0.000 0.252 242 D C -1.844 174.457 176.300 0.002 0.000 1.166 242 D CA -2.005 51.994 54.000 -0.003 0.000 0.879 242 D CB 1.276 42.075 40.800 -0.002 0.000 1.164 242 D HN 0.120 nan 8.370 nan 0.000 0.462 243 P HA -0.107 nan 4.420 nan 0.000 0.220 243 P C 0.684 177.990 177.300 0.011 0.000 1.148 243 P CA 1.070 64.174 63.100 0.006 0.000 0.803 243 P CB 0.273 31.976 31.700 0.005 0.000 0.782 244 E N -1.010 119.198 120.200 0.014 0.000 2.028 244 E HA -0.100 4.929 4.350 1.132 0.000 0.190 244 E C 1.902 178.516 176.600 0.022 0.000 0.984 244 E CA 1.903 58.316 56.400 0.022 0.000 0.800 244 E CB -0.605 29.112 29.700 0.029 0.000 0.758 244 E HN 0.353 nan 8.360 nan 0.000 0.448 245 T N -3.081 111.486 114.554 0.022 0.000 3.051 245 T HA 0.203 5.232 4.350 1.132 0.000 0.255 245 T C 1.624 176.335 174.700 0.018 0.000 1.085 245 T CA 0.617 62.731 62.100 0.024 0.000 1.109 245 T CB 0.530 69.415 68.868 0.028 0.000 0.921 245 T HN 0.326 nan 8.240 nan 0.000 0.488 246 G N 1.238 110.046 108.800 0.014 0.000 2.159 246 G HA2 -0.221 4.419 3.960 1.132 0.000 0.256 246 G HA3 -0.221 4.419 3.960 1.132 0.000 0.256 246 G C -0.258 174.648 174.900 0.010 0.000 0.977 246 G CA 0.199 45.305 45.100 0.010 0.000 0.652 246 G HN 0.678 nan 8.290 nan 0.000 0.531 247 E N 1.174 121.382 120.200 0.013 0.000 2.222 247 E HA 0.567 5.596 4.350 1.132 0.000 0.272 247 E C -2.304 174.304 176.600 0.014 0.000 0.982 247 E CA -1.938 54.471 56.400 0.015 0.000 0.842 247 E CB 2.303 32.016 29.700 0.023 0.000 1.144 247 E HN 0.251 nan 8.360 nan 0.000 0.397 248 P HA 0.240 nan 4.420 nan 0.000 0.286 248 P C -0.596 176.719 177.300 0.024 0.000 1.292 248 P CA -0.608 62.500 63.100 0.013 0.000 0.842 248 P CB 1.066 32.769 31.700 0.006 0.000 1.207 249 L N 0.850 122.091 121.223 0.031 0.000 2.452 249 L HA 0.176 5.196 4.340 1.132 0.000 0.267 249 L C 1.072 177.967 176.870 0.041 0.000 1.188 249 L CA -0.175 54.693 54.840 0.046 0.000 0.821 249 L CB -0.183 41.912 42.059 0.060 0.000 1.102 249 L HN 0.474 nan 8.230 nan 0.000 0.470 250 D N -0.759 119.670 120.400 0.050 0.000 2.388 250 D HA 0.082 5.401 4.640 1.132 0.000 0.254 250 D C 0.312 176.629 176.300 0.028 0.000 1.111 250 D CA -0.602 53.420 54.000 0.037 0.000 0.993 250 D CB 0.654 41.479 40.800 0.041 0.000 1.118 250 D HN 0.346 nan 8.370 nan 0.000 0.502 251 D N -0.375 120.031 120.400 0.010 0.000 2.123 251 D HA -0.207 5.112 4.640 1.132 0.000 0.196 251 D C 1.489 177.764 176.300 -0.041 0.000 0.992 251 D CA 1.266 55.260 54.000 -0.010 0.000 0.833 251 D CB -0.109 40.680 40.800 -0.017 0.000 0.954 251 D HN 0.752 nan 8.370 nan 0.000 0.455 252 E N 0.461 120.632 120.200 -0.048 0.000 2.077 252 E HA -0.185 4.845 4.350 1.132 0.000 0.193 252 E C 1.942 178.448 176.600 -0.157 0.000 0.989 252 E CA 0.754 57.068 56.400 -0.142 0.000 0.800 252 E CB 0.008 29.668 29.700 -0.066 0.000 0.746 252 E HN 0.160 nan 8.360 nan 0.000 0.452 253 N N 0.500 119.226 118.700 0.044 0.000 2.188 253 N HA -0.137 5.282 4.740 1.132 0.000 0.184 253 N C 2.095 177.692 175.510 0.145 0.000 1.018 253 N CA 0.880 54.038 53.050 0.180 0.000 0.858 253 N CB -0.056 38.543 38.487 0.186 0.000 0.989 253 N HN 0.221 nan 8.380 nan 0.000 0.426 254 I N 1.279 121.895 120.570 0.077 0.000 2.208 254 I HA -0.278 4.572 4.170 1.132 0.000 0.245 254 I C 2.527 178.691 176.117 0.079 0.000 1.097 254 I CA 1.100 62.452 61.300 0.087 0.000 1.363 254 I CB -0.185 37.845 38.000 0.051 0.000 1.051 254 I HN 0.137 nan 8.210 nan 0.000 0.413 255 R N -0.324 120.163 120.500 -0.022 0.000 2.091 255 R HA -0.207 4.812 4.340 1.132 0.000 0.238 255 R C 2.361 178.685 176.300 0.040 0.000 1.136 255 R CA 1.663 57.726 56.100 -0.062 0.000 0.959 255 R CB -0.554 29.626 30.300 -0.200 0.000 0.856 255 R HN 0.304 nan 8.270 nan 0.000 0.437 256 Y N 1.254 121.624 120.300 0.117 0.000 2.224 256 Y HA -0.168 5.062 4.550 1.132 0.000 0.289 256 Y C 2.604 178.616 175.900 0.187 0.000 1.146 256 Y CA 0.882 59.064 58.100 0.136 0.000 1.182 256 Y CB -0.380 38.151 38.460 0.118 0.000 0.983 256 Y HN 0.036 nan 8.280 nan 0.000 0.524 257 Q N -0.047 119.981 119.800 0.379 0.000 2.119 257 Q HA -0.117 4.902 4.340 1.132 0.000 0.201 257 Q C 2.478 178.783 176.000 0.509 0.000 0.972 257 Q CA 1.286 57.368 55.803 0.464 0.000 0.847 257 Q CB -0.575 28.420 28.738 0.429 0.000 0.903 257 Q HN 0.541 nan 8.270 nan 0.000 0.433 258 I N 0.556 121.318 120.570 0.321 0.000 2.179 258 I HA -0.284 4.565 4.170 1.132 0.000 0.242 258 I C 2.321 178.536 176.117 0.164 0.000 1.088 258 I CA 1.085 62.497 61.300 0.186 0.000 1.357 258 I CB -0.346 37.633 38.000 -0.035 0.000 1.051 258 I HN 0.104 nan 8.210 nan 0.000 0.409 259 I N 0.282 120.975 120.570 0.206 0.000 2.208 259 I HA -0.294 4.555 4.170 1.132 0.000 0.245 259 I C 2.563 178.852 176.117 0.287 0.000 1.097 259 I CA 1.612 63.070 61.300 0.263 0.000 1.363 259 I CB -0.613 37.573 38.000 0.310 0.000 1.051 259 I HN 0.261 nan 8.210 nan 0.000 0.413 260 T N 0.730 115.450 114.554 0.276 0.000 2.708 260 T HA -0.172 4.857 4.350 1.132 0.000 0.266 260 T C 1.644 176.406 174.700 0.104 0.000 1.037 260 T CA 1.647 63.836 62.100 0.150 0.000 1.146 260 T CB -0.404 68.527 68.868 0.104 0.000 0.865 260 T HN 0.151 nan 8.240 nan 0.000 0.435 261 F N 0.809 120.901 119.950 0.236 0.000 2.259 261 F HA 0.149 5.355 4.527 1.131 0.000 0.298 261 F C 2.075 178.029 175.800 0.257 0.000 1.088 261 F CA 0.569 58.726 58.000 0.261 0.000 1.358 261 F CB -0.471 38.747 39.000 0.364 0.000 1.040 261 F HN 0.072 nan 8.300 nan 0.000 0.505 262 L N -0.620 120.821 121.223 0.364 0.000 2.093 262 L HA -0.196 4.823 4.340 1.132 0.000 0.208 262 L C 2.176 179.285 176.870 0.398 0.000 1.085 262 L CA 1.151 56.142 54.840 0.253 0.000 0.755 262 L CB -0.477 41.582 42.059 0.001 0.000 0.904 262 L HN 0.159 nan 8.230 nan 0.000 0.435 263 I N -0.460 120.315 120.570 0.341 0.000 2.270 263 I HA -0.156 4.693 4.170 1.132 0.000 0.239 263 I C 2.719 178.867 176.117 0.052 0.000 1.080 263 I CA 1.025 62.472 61.300 0.245 0.000 1.383 263 I CB -0.417 37.672 38.000 0.149 0.000 1.097 263 I HN 0.104 nan 8.210 nan 0.000 0.420 264 A N 0.788 123.602 122.820 -0.011 0.000 2.015 264 A HA -0.062 4.938 4.320 1.132 0.000 0.219 264 A C 2.247 179.855 177.584 0.041 0.000 1.163 264 A CA 1.621 53.620 52.037 -0.062 0.000 0.646 264 A CB -1.221 17.719 19.000 -0.099 0.000 0.806 264 A HN 0.495 nan 8.150 nan 0.000 0.448 265 G N -1.653 107.222 108.800 0.126 0.000 2.848 265 G HA2 0.047 4.686 3.960 1.132 0.000 0.208 265 G HA3 0.047 4.686 3.960 1.132 0.000 0.208 265 G C 1.091 176.147 174.900 0.259 0.000 1.152 265 G CA 1.250 46.465 45.100 0.191 0.000 0.789 265 G HN 0.864 nan 8.290 nan 0.000 0.531 266 H N -1.548 117.605 119.070 0.139 0.000 3.051 266 H HA 0.073 5.308 4.556 1.132 0.000 0.218 266 H C 1.765 177.157 175.328 0.108 0.000 0.898 266 H CA 0.795 56.924 56.048 0.135 0.000 0.989 266 H CB -0.154 29.660 29.762 0.087 0.000 1.343 266 H HN 0.223 nan 8.280 nan 0.000 0.499 267 E N 2.623 122.195 120.200 -1.047 0.000 2.070 267 E HA -0.141 4.889 4.350 1.132 0.000 0.197 267 E C 2.074 178.560 176.600 -0.190 0.000 1.004 267 E CA 3.308 59.311 56.400 -0.662 0.000 0.805 267 E CB -0.464 28.957 29.700 -0.465 0.000 0.744 267 E HN 0.600 nan 8.360 nan 0.000 0.451 268 T N -3.281 111.223 114.554 -0.084 0.000 2.985 268 T HA -0.021 5.008 4.350 1.132 0.000 0.266 268 T C 1.918 176.687 174.700 0.115 0.000 1.076 268 T CA 1.311 63.436 62.100 0.042 0.000 1.135 268 T CB -0.626 68.286 68.868 0.073 0.000 0.890 268 T HN 0.072 nan 8.240 nan 0.000 0.480 269 T N 1.830 116.465 114.554 0.135 0.000 2.904 269 T HA -0.022 5.007 4.350 1.132 0.000 0.267 269 T C 2.245 177.048 174.700 0.172 0.000 1.059 269 T CA 1.220 63.437 62.100 0.196 0.000 1.137 269 T CB -0.467 68.551 68.868 0.249 0.000 0.879 269 T HN 0.513 nan 8.240 nan 0.000 0.467 270 S N 0.861 116.639 115.700 0.129 0.000 2.368 270 S HA -0.032 5.117 4.470 1.132 0.000 0.224 270 S C 2.402 177.062 174.600 0.100 0.000 1.029 270 S CA 1.615 59.887 58.200 0.119 0.000 0.988 270 S CB -0.829 62.433 63.200 0.103 0.000 0.838 270 S HN 0.565 nan 8.310 nan 0.000 0.462 271 G N 1.796 110.653 108.800 0.096 0.000 2.421 271 G HA2 -0.158 4.481 3.960 1.132 0.000 0.216 271 G HA3 -0.158 4.481 3.960 1.132 0.000 0.216 271 G C 1.395 176.462 174.900 0.279 0.000 1.171 271 G CA 1.134 46.305 45.100 0.119 0.000 0.775 271 G HN 0.527 nan 8.290 nan 0.000 0.543 272 L N 0.524 121.926 121.223 0.297 0.000 2.012 272 L HA 0.040 5.059 4.340 1.132 0.000 0.210 272 L C 2.695 179.752 176.870 0.312 0.000 1.073 272 L CA 1.538 56.583 54.840 0.341 0.000 0.748 272 L CB -0.640 41.576 42.059 0.262 0.000 0.891 272 L HN 0.217 nan 8.230 nan 0.000 0.431 273 L N -0.956 120.406 121.223 0.232 0.000 2.042 273 L HA -0.217 4.802 4.340 1.132 0.000 0.210 273 L C 2.501 179.491 176.870 0.202 0.000 1.076 273 L CA 1.475 56.438 54.840 0.205 0.000 0.749 273 L CB -0.625 41.537 42.059 0.173 0.000 0.893 273 L HN 0.290 nan 8.230 nan 0.000 0.432 274 S N -0.518 115.274 115.700 0.153 0.000 2.356 274 S HA -0.138 5.011 4.470 1.132 0.000 0.223 274 S C 1.765 176.417 174.600 0.087 0.000 1.032 274 S CA 1.316 59.582 58.200 0.110 0.000 1.005 274 S CB -0.363 62.801 63.200 -0.059 0.000 0.867 274 S HN 0.219 nan 8.310 nan 0.000 0.449 275 F N 1.919 121.937 119.950 0.113 0.000 2.186 275 F HA -0.006 5.195 4.527 1.123 0.000 0.299 275 F C 2.540 178.465 175.800 0.208 0.000 1.090 275 F CA 0.587 58.640 58.000 0.089 0.000 1.307 275 F CB -0.935 38.207 39.000 0.237 0.000 1.019 275 F HN 0.168 nan 8.300 nan 0.000 0.489 276 A N -0.206 122.879 122.820 0.442 0.000 1.877 276 A HA -0.176 4.823 4.320 1.132 0.000 0.216 276 A C 2.128 179.834 177.584 0.202 0.000 1.186 276 A CA 1.603 53.851 52.037 0.350 0.000 0.620 276 A CB -1.117 18.061 19.000 0.296 0.000 0.822 276 A HN 0.331 nan 8.150 nan 0.000 0.443 277 L N -1.536 119.800 121.223 0.188 0.000 2.083 277 L HA -0.125 4.894 4.340 1.132 0.000 0.209 277 L C 2.295 179.253 176.870 0.145 0.000 1.083 277 L CA 2.291 57.205 54.840 0.124 0.000 0.752 277 L CB -0.897 41.229 42.059 0.113 0.000 0.899 277 L HN 0.555 nan 8.230 nan 0.000 0.433 278 Y N -0.704 119.546 120.300 -0.084 0.000 2.097 278 Y HA -0.311 4.921 4.550 1.137 0.000 0.282 278 Y C 2.140 177.789 175.900 -0.419 0.000 1.152 278 Y CA 2.024 59.757 58.100 -0.612 0.000 1.136 278 Y CB -0.644 37.188 38.460 -1.046 0.000 0.975 278 Y HN 0.181 nan 8.280 nan 0.000 0.498 279 F N 0.045 119.781 119.950 -0.358 0.000 2.216 279 F HA -0.193 5.006 4.527 1.119 0.000 0.300 279 F C 2.248 177.692 175.800 -0.594 0.000 1.085 279 F CA 1.289 58.844 58.000 -0.741 0.000 1.326 279 F CB -0.832 37.285 39.000 -1.472 0.000 1.027 279 F HN 0.095 nan 8.300 nan 0.000 0.497 280 L N -0.239 120.887 121.223 -0.163 0.000 2.017 280 L HA -0.178 4.841 4.340 1.132 0.000 0.208 280 L C 2.537 179.399 176.870 -0.014 0.000 1.073 280 L CA 1.398 56.235 54.840 -0.005 0.000 0.745 280 L CB -0.902 41.200 42.059 0.070 0.000 0.894 280 L HN 0.144 nan 8.230 nan 0.000 0.432 281 V N -3.445 116.435 119.914 -0.056 0.000 2.759 281 V HA -0.116 4.683 4.120 1.132 0.000 0.256 281 V C 2.128 178.166 176.094 -0.092 0.000 1.080 281 V CA 1.214 63.506 62.300 -0.013 0.000 1.101 281 V CB -0.595 31.276 31.823 0.081 0.000 0.698 281 V HN 0.297 nan 8.190 nan 0.000 0.477 282 K N 1.093 121.347 120.400 -0.242 0.000 2.459 282 K HA 0.198 5.198 4.320 1.132 0.000 0.193 282 K C 0.282 176.841 176.600 -0.069 0.000 1.030 282 K CA 0.243 56.397 56.287 -0.221 0.000 1.026 282 K CB -0.201 32.038 32.500 -0.434 0.000 0.809 282 K HN 0.573 nan 8.250 nan 0.000 0.504 283 N N 0.992 119.682 118.700 -0.016 0.000 2.750 283 N HA 0.144 5.563 4.740 1.132 0.000 0.253 283 N C -2.418 173.132 175.510 0.066 0.000 1.408 283 N CA -1.159 51.936 53.050 0.075 0.000 0.780 283 N CB 1.830 40.444 38.487 0.211 0.000 1.191 283 N HN -0.200 nan 8.380 nan 0.000 0.511 284 P HA -0.171 nan 4.420 nan 0.000 0.217 284 P C 0.893 178.190 177.300 -0.004 0.000 1.151 284 P CA 1.595 64.662 63.100 -0.055 0.000 0.849 284 P CB 0.246 31.846 31.700 -0.167 0.000 0.787 285 H N -1.896 117.238 119.070 0.107 0.000 2.389 285 H HA -0.047 5.180 4.556 1.118 0.000 0.299 285 H C 1.791 177.194 175.328 0.125 0.000 1.081 285 H CA 0.571 56.677 56.048 0.096 0.000 1.345 285 H CB -0.394 29.419 29.762 0.085 0.000 1.393 285 H HN -0.073 nan 8.280 nan 0.000 0.520 286 V N 0.749 120.844 119.914 0.302 0.000 2.379 286 V HA -0.197 4.602 4.120 1.132 0.000 0.245 286 V C 2.305 178.597 176.094 0.330 0.000 1.044 286 V CA 1.248 63.766 62.300 0.363 0.000 1.036 286 V CB -0.422 31.678 31.823 0.463 0.000 0.664 286 V HN 0.287 nan 8.190 nan 0.000 0.453 287 L N 0.308 121.682 121.223 0.253 0.000 2.046 287 L HA -0.210 4.809 4.340 1.132 0.000 0.208 287 L C 2.436 179.419 176.870 0.188 0.000 1.077 287 L CA 2.241 57.216 54.840 0.224 0.000 0.747 287 L CB -0.939 41.229 42.059 0.181 0.000 0.896 287 L HN 0.415 nan 8.230 nan 0.000 0.432 288 Q N -0.549 119.343 119.800 0.153 0.000 2.061 288 Q HA -0.262 4.757 4.340 1.132 0.000 0.204 288 Q C 2.226 178.259 176.000 0.055 0.000 0.984 288 Q CA 2.075 57.944 55.803 0.110 0.000 0.846 288 Q CB -0.045 28.764 28.738 0.118 0.000 0.902 288 Q HN 0.545 nan 8.270 nan 0.000 0.421 289 K N -0.283 120.120 120.400 0.004 0.000 2.057 289 K HA -0.124 4.875 4.320 1.132 0.000 0.207 289 K C 2.061 178.554 176.600 -0.177 0.000 1.049 289 K CA 1.143 57.301 56.287 -0.214 0.000 0.931 289 K CB -0.164 32.000 32.500 -0.560 0.000 0.714 289 K HN 0.256 nan 8.250 nan 0.000 0.440 290 A N 1.347 124.217 122.820 0.083 0.000 1.930 290 A HA -0.074 4.925 4.320 1.132 0.000 0.217 290 A C 2.333 180.020 177.584 0.171 0.000 1.175 290 A CA 1.727 53.926 52.037 0.271 0.000 0.627 290 A CB -0.586 18.651 19.000 0.396 0.000 0.815 290 A HN 0.329 nan 8.150 nan 0.000 0.443 291 A N -0.563 122.344 122.820 0.146 0.000 1.930 291 A HA -0.137 4.862 4.320 1.132 0.000 0.217 291 A C 2.066 179.692 177.584 0.070 0.000 1.175 291 A CA 1.698 53.812 52.037 0.128 0.000 0.627 291 A CB -0.409 18.673 19.000 0.138 0.000 0.815 291 A HN 0.505 nan 8.150 nan 0.000 0.443 292 E N 0.347 120.570 120.200 0.038 0.000 2.077 292 E HA -0.241 4.788 4.350 1.132 0.000 0.193 292 E C 1.947 178.553 176.600 0.011 0.000 0.989 292 E CA 1.651 58.055 56.400 0.008 0.000 0.800 292 E CB -0.272 29.415 29.700 -0.022 0.000 0.746 292 E HN 0.773 nan 8.360 nan 0.000 0.452 293 E N -0.096 120.114 120.200 0.017 0.000 2.051 293 E HA -0.168 4.862 4.350 1.132 0.000 0.192 293 E C 1.999 178.631 176.600 0.054 0.000 0.991 293 E CA 1.120 57.544 56.400 0.040 0.000 0.799 293 E CB -0.153 29.598 29.700 0.084 0.000 0.748 293 E HN 0.262 nan 8.360 nan 0.000 0.449 294 A N 1.251 124.115 122.820 0.073 0.000 1.908 294 A HA -0.143 4.857 4.320 1.132 0.000 0.218 294 A C 2.405 180.004 177.584 0.024 0.000 1.181 294 A CA 1.987 54.063 52.037 0.064 0.000 0.627 294 A CB -0.832 18.224 19.000 0.094 0.000 0.818 294 A HN 0.433 nan 8.150 nan 0.000 0.445 295 A N -0.385 122.442 122.820 0.011 0.000 1.898 295 A HA -0.135 4.864 4.320 1.132 0.000 0.216 295 A C 2.243 179.821 177.584 -0.011 0.000 1.181 295 A CA 1.769 53.795 52.037 -0.019 0.000 0.620 295 A CB -0.449 18.539 19.000 -0.020 0.000 0.819 295 A HN 0.585 nan 8.150 nan 0.000 0.442 296 R N -0.596 119.905 120.500 0.002 0.000 2.075 296 R HA -0.049 4.971 4.340 1.132 0.000 0.232 296 R C 1.751 178.057 176.300 0.010 0.000 1.126 296 R CA 1.743 57.845 56.100 0.004 0.000 0.963 296 R CB -0.279 30.025 30.300 0.006 0.000 0.858 296 R HN 0.269 nan 8.270 nan 0.000 0.435 297 V N 1.089 121.014 119.914 0.018 0.000 2.446 297 V HA -0.039 4.760 4.120 1.132 0.000 0.244 297 V C 1.256 177.363 176.094 0.022 0.000 1.039 297 V CA 0.950 63.264 62.300 0.023 0.000 1.045 297 V CB -0.083 31.760 31.823 0.033 0.000 0.681 297 V HN 0.238 nan 8.190 nan 0.000 0.459 298 L N 2.010 123.245 121.223 0.019 0.000 2.423 298 L HA 0.145 5.164 4.340 1.132 0.000 0.249 298 L C 1.212 178.086 176.870 0.007 0.000 1.276 298 L CA -0.166 54.687 54.840 0.022 0.000 1.199 298 L CB 0.465 42.540 42.059 0.027 0.000 1.407 298 L HN 0.268 nan 8.230 nan 0.000 0.410 299 V N -3.728 116.194 119.914 0.012 0.000 3.461 299 V HA 0.109 4.909 4.120 1.132 0.000 0.267 299 V C 0.656 176.758 176.094 0.014 0.000 1.186 299 V CA 0.401 62.705 62.300 0.006 0.000 1.154 299 V CB -0.441 31.386 31.823 0.008 0.000 0.802 299 V HN 0.420 nan 8.190 nan 0.000 0.474 300 D N 0.753 121.170 120.400 0.028 0.000 2.326 300 D HA 0.370 5.690 4.640 1.132 0.000 0.251 300 D C -1.823 174.507 176.300 0.050 0.000 1.023 300 D CA -1.869 52.154 54.000 0.037 0.000 0.966 300 D CB 1.610 42.437 40.800 0.045 0.000 1.156 300 D HN -0.030 nan 8.370 nan 0.000 0.494 301 P HA -0.117 nan 4.420 nan 0.000 0.216 301 P C 0.073 177.424 177.300 0.085 0.000 1.150 301 P CA 1.196 64.335 63.100 0.064 0.000 0.843 301 P CB 0.302 32.028 31.700 0.044 0.000 0.787 302 V N -7.330 112.632 119.914 0.081 0.000 3.007 302 V HA 0.615 5.414 4.120 1.132 0.000 0.311 302 V C -3.034 173.131 176.094 0.118 0.000 1.120 302 V CA -3.188 59.169 62.300 0.094 0.000 0.980 302 V CB 1.553 33.421 31.823 0.074 0.000 1.033 302 V HN -0.316 nan 8.190 nan 0.000 0.429 303 P HA 0.335 nan 4.420 nan 0.000 0.271 303 P C -0.138 177.337 177.300 0.291 0.000 1.216 303 P CA 0.196 63.404 63.100 0.179 0.000 0.776 303 P CB 0.772 32.573 31.700 0.168 0.000 0.881 304 S N 2.196 117.991 115.700 0.159 0.000 2.672 304 S HA 0.203 5.352 4.470 1.132 0.000 0.276 304 S C 0.881 175.383 174.600 -0.164 0.000 1.207 304 S CA -0.352 57.880 58.200 0.053 0.000 1.002 304 S CB 0.322 63.543 63.200 0.035 0.000 0.998 304 S HN 0.474 nan 8.310 nan 0.000 0.542 305 Y N 1.913 121.828 120.300 -0.642 0.000 2.181 305 Y HA -0.093 5.141 4.550 1.140 0.000 0.288 305 Y C 2.090 177.934 175.900 -0.093 0.000 1.146 305 Y CA 2.015 59.801 58.100 -0.523 0.000 1.164 305 Y CB -0.448 37.744 38.460 -0.447 0.000 0.982 305 Y HN 0.765 nan 8.280 nan 0.000 0.515 306 K N 0.082 120.527 120.400 0.075 0.000 2.097 306 K HA -0.219 4.780 4.320 1.132 0.000 0.206 306 K C 2.137 178.723 176.600 -0.023 0.000 1.049 306 K CA 1.966 58.278 56.287 0.041 0.000 0.933 306 K CB -0.258 32.287 32.500 0.075 0.000 0.717 306 K HN 0.465 nan 8.250 nan 0.000 0.442 307 Q N 0.177 119.970 119.800 -0.010 0.000 2.124 307 Q HA -0.128 4.891 4.340 1.132 0.000 0.202 307 Q C 2.111 178.098 176.000 -0.022 0.000 0.977 307 Q CA 1.341 57.145 55.803 0.001 0.000 0.850 307 Q CB -0.047 28.708 28.738 0.029 0.000 0.901 307 Q HN 0.098 nan 8.270 nan 0.000 0.429 308 V N 1.372 121.252 119.914 -0.057 0.000 2.343 308 V HA -0.247 4.552 4.120 1.132 0.000 0.247 308 V C 1.931 177.954 176.094 -0.117 0.000 1.051 308 V CA 1.526 63.759 62.300 -0.113 0.000 1.036 308 V CB -0.410 31.257 31.823 -0.260 0.000 0.654 308 V HN 0.277 nan 8.190 nan 0.000 0.451 309 K N 0.073 120.387 120.400 -0.143 0.000 2.362 309 K HA -0.176 4.823 4.320 1.132 0.000 0.200 309 K C 1.936 178.521 176.600 -0.026 0.000 1.046 309 K CA 1.017 57.249 56.287 -0.093 0.000 0.952 309 K CB -0.323 32.107 32.500 -0.117 0.000 0.753 309 K HN 0.566 nan 8.250 nan 0.000 0.466 310 Q N 0.450 120.241 119.800 -0.016 0.000 2.425 310 Q HA 0.093 5.113 4.340 1.132 0.000 0.204 310 Q C 0.151 176.170 176.000 0.032 0.000 0.933 310 Q CA -0.024 55.787 55.803 0.014 0.000 0.939 310 Q CB 0.245 28.994 28.738 0.017 0.000 1.044 310 Q HN 0.199 nan 8.270 nan 0.000 0.513 311 L N 2.110 123.349 121.223 0.026 0.000 2.437 311 L HA 0.068 5.087 4.340 1.132 0.000 0.243 311 L C 1.168 178.082 176.870 0.073 0.000 1.346 311 L CA -0.339 54.535 54.840 0.056 0.000 1.233 311 L CB 0.047 42.133 42.059 0.046 0.000 1.436 311 L HN 0.042 nan 8.230 nan 0.000 0.416 312 K N 1.234 121.687 120.400 0.088 0.000 2.026 312 K HA -0.260 4.739 4.320 1.132 0.000 0.208 312 K C 1.867 178.536 176.600 0.114 0.000 1.048 312 K CA 1.945 58.288 56.287 0.093 0.000 0.929 312 K CB -0.287 32.273 32.500 0.100 0.000 0.713 312 K HN 0.381 nan 8.250 nan 0.000 0.439 313 Y N 0.158 120.487 120.300 0.049 0.000 2.242 313 Y HA -0.136 4.520 4.550 0.176 0.000 0.291 313 Y C 1.850 177.793 175.900 0.073 0.000 1.137 313 Y CA 1.422 59.558 58.100 0.060 0.000 1.181 313 Y CB -0.069 38.430 38.460 0.065 0.000 0.989 313 Y HN -0.101 nan 8.280 nan 0.000 0.527 314 V N -0.377 119.643 119.914 0.177 0.000 2.392 314 V HA -0.304 4.495 4.120 1.132 0.000 0.249 314 V C 2.552 178.666 176.094 0.034 0.000 1.059 314 V CA 1.948 64.321 62.300 0.121 0.000 1.051 314 V CB -1.512 30.389 31.823 0.130 0.000 0.658 314 V HN 0.611 nan 8.190 nan 0.000 0.455 315 G N -0.730 108.080 108.800 0.017 0.000 2.422 315 G HA2 -0.258 4.381 3.960 1.132 0.000 0.218 315 G HA3 -0.258 4.381 3.960 1.132 0.000 0.218 315 G C 1.609 176.455 174.900 -0.090 0.000 1.146 315 G CA 1.031 46.127 45.100 -0.007 0.000 0.769 315 G HN 0.455 nan 8.290 nan 0.000 0.547 316 M N -0.004 119.500 119.600 -0.159 0.000 2.175 316 M HA -0.013 5.146 4.480 1.132 0.000 0.264 316 M C 2.623 178.729 176.300 -0.324 0.000 1.063 316 M CA 0.691 55.833 55.300 -0.263 0.000 1.119 316 M CB -0.216 32.194 32.600 -0.317 0.000 1.377 316 M HN 0.086 nan 8.290 nan 0.000 0.415 317 V N 0.759 120.518 119.914 -0.260 0.000 2.343 317 V HA -0.255 4.545 4.120 1.132 0.000 0.247 317 V C 2.253 178.400 176.094 0.090 0.000 1.051 317 V CA 1.693 63.974 62.300 -0.031 0.000 1.036 317 V CB -0.569 31.335 31.823 0.135 0.000 0.654 317 V HN 0.456 nan 8.190 nan 0.000 0.451 318 L N -0.016 121.233 121.223 0.044 0.000 2.093 318 L HA -0.146 4.873 4.340 1.132 0.000 0.208 318 L C 2.419 179.284 176.870 -0.009 0.000 1.085 318 L CA 1.364 56.259 54.840 0.092 0.000 0.755 318 L CB -0.707 41.416 42.059 0.107 0.000 0.904 318 L HN 0.364 nan 8.230 nan 0.000 0.435 319 N N -0.088 118.466 118.700 -0.244 0.000 2.244 319 N HA -0.200 5.219 4.740 1.132 0.000 0.183 319 N C 1.844 176.943 175.510 -0.686 0.000 1.016 319 N CA 1.092 53.808 53.050 -0.556 0.000 0.866 319 N CB -0.012 37.698 38.487 -1.295 0.000 0.980 319 N HN 0.301 nan 8.380 nan 0.000 0.430 320 E N 0.950 120.820 120.200 -0.549 0.000 2.152 320 E HA 0.066 5.095 4.350 1.132 0.000 0.192 320 E C 1.695 178.238 176.600 -0.095 0.000 0.983 320 E CA 0.898 57.072 56.400 -0.376 0.000 0.818 320 E CB -0.159 29.109 29.700 -0.720 0.000 0.758 320 E HN 0.279 nan 8.360 nan 0.000 0.467 321 A N 0.360 123.300 122.820 0.201 0.000 1.930 321 A HA -0.058 4.941 4.320 1.132 0.000 0.217 321 A C 2.184 179.876 177.584 0.180 0.000 1.175 321 A CA 1.074 53.338 52.037 0.379 0.000 0.627 321 A CB -0.577 18.722 19.000 0.498 0.000 0.815 321 A HN 0.337 nan 8.150 nan 0.000 0.443 322 L N -1.108 120.180 121.223 0.109 0.000 2.201 322 L HA -0.119 4.901 4.340 1.132 0.000 0.212 322 L C 2.733 179.668 176.870 0.108 0.000 1.105 322 L CA 1.295 56.178 54.840 0.072 0.000 0.775 322 L CB -0.401 41.680 42.059 0.036 0.000 0.913 322 L HN 0.467 nan 8.230 nan 0.000 0.440 323 R N 0.656 121.201 120.500 0.076 0.000 2.062 323 R HA -0.137 4.883 4.340 1.132 0.000 0.231 323 R C 2.321 178.553 176.300 -0.113 0.000 1.136 323 R CA 1.370 57.432 56.100 -0.064 0.000 0.948 323 R CB -0.154 29.952 30.300 -0.323 0.000 0.845 323 R HN 0.265 nan 8.270 nan 0.000 0.430 324 L N -1.303 119.764 121.223 -0.260 0.000 2.056 324 L HA -0.079 4.940 4.340 1.132 0.000 0.207 324 L C 0.521 176.847 176.870 -0.906 0.000 1.078 324 L CA 1.013 55.532 54.840 -0.535 0.000 0.749 324 L CB -0.045 41.748 42.059 -0.443 0.000 0.901 324 L HN 0.275 nan 8.230 nan 0.000 0.433 325 W N 0.154 121.345 121.300 -0.181 0.000 2.036 325 W HA 0.274 5.609 4.660 1.124 0.000 0.294 325 W C -2.246 174.075 176.519 -0.329 0.000 0.948 325 W CA -1.770 55.304 57.345 -0.450 0.000 1.774 325 W CB 0.554 29.216 29.460 -1.330 0.000 1.950 325 W HN -0.204 nan 8.180 nan 0.000 0.384 326 P HA -0.025 nan 4.420 nan 0.000 0.262 326 P C 1.088 178.421 177.300 0.056 0.000 1.199 326 P CA 0.754 63.849 63.100 -0.009 0.000 0.763 326 P CB 1.277 32.936 31.700 -0.067 0.000 0.790 327 T N -0.069 114.537 114.554 0.087 0.000 2.962 327 T HA -0.001 5.028 4.350 1.132 0.000 0.270 327 T C 0.883 175.643 174.700 0.100 0.000 1.088 327 T CA 0.482 62.675 62.100 0.156 0.000 1.127 327 T CB -0.227 68.758 68.868 0.195 0.000 0.883 327 T HN 0.180 nan 8.240 nan 0.000 0.493 328 V N 4.683 124.633 119.914 0.060 0.000 2.294 328 V HA 0.276 5.075 4.120 1.132 0.000 0.272 328 V C -1.312 174.817 176.094 0.058 0.000 1.027 328 V CA -1.741 60.607 62.300 0.081 0.000 0.823 328 V CB 1.486 33.386 31.823 0.128 0.000 1.030 328 V HN 0.249 nan 8.190 nan 0.000 0.457 329 P HA 0.200 nan 4.420 nan 0.000 0.245 329 P C 0.163 177.460 177.300 -0.006 0.000 1.206 329 P CA 0.566 63.685 63.100 0.031 0.000 0.781 329 P CB 0.889 32.631 31.700 0.071 0.000 0.994 330 A N -0.261 122.576 122.820 0.028 0.000 2.610 330 A HA 0.694 5.693 4.320 1.132 0.000 0.291 330 A C -1.534 176.098 177.584 0.081 0.000 1.086 330 A CA -0.680 51.333 52.037 -0.040 0.000 0.677 330 A CB 0.713 19.678 19.000 -0.059 0.000 1.278 330 A HN 0.080 nan 8.150 nan 0.000 0.414 331 F N -0.957 118.918 119.950 -0.124 0.000 2.645 331 F HA 0.885 6.090 4.527 1.130 0.000 0.310 331 F C -0.283 175.409 175.800 -0.181 0.000 1.102 331 F CA -0.768 57.145 58.000 -0.144 0.000 0.952 331 F CB 1.530 40.431 39.000 -0.164 0.000 1.326 331 F HN 0.633 nan 8.300 nan 0.000 0.456 332 S N 1.625 117.336 115.700 0.018 0.000 2.568 332 S HA 0.903 6.052 4.470 1.132 0.000 0.302 332 S C -1.273 173.312 174.600 -0.024 0.000 1.082 332 S CA -0.544 57.592 58.200 -0.108 0.000 1.009 332 S CB 1.202 64.331 63.200 -0.119 0.000 1.069 332 S HN 0.707 nan 8.310 nan 0.000 0.500 333 L N 3.314 124.496 121.223 -0.069 0.000 2.350 333 L HA 0.675 5.694 4.340 1.132 0.000 0.260 333 L C -1.332 175.593 176.870 0.091 0.000 1.015 333 L CA -1.101 53.723 54.840 -0.025 0.000 0.821 333 L CB 1.986 43.971 42.059 -0.124 0.000 1.370 333 L HN 0.832 nan 8.230 nan 0.000 0.416 334 Y N -0.152 120.247 120.300 0.166 0.000 2.545 334 Y HA 0.875 6.105 4.550 1.132 0.000 0.348 334 Y C -0.341 175.723 175.900 0.274 0.000 1.002 334 Y CA -1.467 56.744 58.100 0.185 0.000 1.039 334 Y CB 1.477 40.020 38.460 0.140 0.000 1.271 334 Y HN 0.582 nan 8.280 nan 0.000 0.467 335 A N 3.432 126.452 122.820 0.334 0.000 2.404 335 A HA 0.275 5.274 4.320 1.132 0.000 0.273 335 A C 0.636 178.224 177.584 0.007 0.000 1.144 335 A CA -0.590 51.441 52.037 -0.011 0.000 0.806 335 A CB 0.264 19.277 19.000 0.022 0.000 1.080 335 A HN 0.994 nan 8.150 nan 0.000 0.509 336 K N 0.770 121.041 120.400 -0.214 0.000 2.148 336 K HA -0.034 4.965 4.320 1.132 0.000 0.204 336 K C 0.223 176.797 176.600 -0.043 0.000 1.050 336 K CA 1.155 57.410 56.287 -0.053 0.000 0.942 336 K CB 0.100 32.513 32.500 -0.144 0.000 0.724 336 K HN 0.753 nan 8.250 nan 0.000 0.446 337 E N 0.054 120.178 120.200 -0.127 0.000 2.449 337 E HA 0.144 5.173 4.350 1.132 0.000 0.278 337 E C -1.453 175.086 176.600 -0.102 0.000 0.992 337 E CA -0.720 55.627 56.400 -0.090 0.000 0.807 337 E CB 1.130 30.775 29.700 -0.091 0.000 1.350 337 E HN -0.064 nan 8.360 nan 0.000 0.462 338 D N 0.971 121.335 120.400 -0.059 0.000 2.506 338 D HA 0.231 5.550 4.640 1.132 0.000 0.234 338 D C 0.020 176.284 176.300 -0.060 0.000 1.143 338 D CA 1.105 55.081 54.000 -0.040 0.000 0.871 338 D CB 0.641 41.427 40.800 -0.022 0.000 1.190 338 D HN 0.254 nan 8.370 nan 0.000 0.459 339 T N -0.097 114.435 114.554 -0.036 0.000 2.733 339 T HA 0.391 5.420 4.350 1.132 0.000 0.312 339 T C -1.725 172.998 174.700 0.039 0.000 1.590 339 T CA -0.682 61.400 62.100 -0.031 0.000 1.005 339 T CB 0.918 69.714 68.868 -0.120 0.000 1.528 339 T HN -0.016 nan 8.240 nan 0.000 0.496 340 V N 3.217 123.163 119.914 0.053 0.000 2.417 340 V HA 0.610 5.409 4.120 1.132 0.000 0.291 340 V C -0.260 175.911 176.094 0.128 0.000 1.024 340 V CA -0.786 61.563 62.300 0.082 0.000 0.861 340 V CB 1.281 33.128 31.823 0.040 0.000 0.985 340 V HN 0.791 nan 8.190 nan 0.000 0.436 341 L N 4.871 126.204 121.223 0.183 0.000 2.276 341 L HA 0.713 5.732 4.340 1.132 0.000 0.286 341 L C 1.114 178.100 176.870 0.194 0.000 1.061 341 L CA 1.274 56.239 54.840 0.208 0.000 0.807 341 L CB 0.869 43.058 42.059 0.218 0.000 1.177 341 L HN 0.950 nan 8.230 nan 0.000 0.429 342 G N 3.365 112.247 108.800 0.137 0.000 2.258 342 G HA2 -0.171 4.469 3.960 1.132 0.000 0.274 342 G HA3 -0.171 4.469 3.960 1.132 0.000 0.274 342 G C 1.041 175.961 174.900 0.034 0.000 1.021 342 G CA 0.647 45.810 45.100 0.105 0.000 0.798 342 G HN 1.941 nan 8.290 nan 0.000 0.507 343 G N -0.631 108.181 108.800 0.020 0.000 2.196 343 G HA2 -0.252 4.387 3.960 1.132 0.000 0.268 343 G HA3 -0.252 4.387 3.960 1.132 0.000 0.268 343 G C 0.768 175.611 174.900 -0.095 0.000 0.975 343 G CA 1.594 46.679 45.100 -0.024 0.000 0.648 343 G HN 1.766 nan 8.290 nan 0.000 0.538 344 E N -2.030 118.056 120.200 -0.190 0.000 2.665 344 E HA 0.298 5.328 4.350 1.132 0.000 0.225 344 E C -0.431 175.827 176.600 -0.571 0.000 0.922 344 E CA -0.470 55.685 56.400 -0.408 0.000 1.242 344 E CB 0.507 29.863 29.700 -0.574 0.000 1.197 344 E HN 0.390 nan 8.360 nan 0.000 0.581 345 Y N 2.128 122.444 120.300 0.027 0.000 2.464 345 Y HA 0.427 5.656 4.550 1.132 0.000 0.326 345 Y C -2.571 173.352 175.900 0.038 0.000 0.969 345 Y CA -3.158 54.960 58.100 0.030 0.000 1.270 345 Y CB 1.317 39.792 38.460 0.026 0.000 1.103 345 Y HN -0.079 nan 8.280 nan 0.000 0.491 346 P HA 0.237 nan 4.420 nan 0.000 0.276 346 P C -0.714 176.653 177.300 0.112 0.000 1.235 346 P CA 0.074 63.232 63.100 0.097 0.000 0.772 346 P CB 0.881 32.615 31.700 0.058 0.000 0.871 347 L N 2.489 123.773 121.223 0.101 0.000 2.354 347 L HA 0.474 5.493 4.340 1.132 0.000 0.269 347 L C 0.552 177.458 176.870 0.059 0.000 1.005 347 L CA -0.816 54.083 54.840 0.098 0.000 0.819 347 L CB 2.060 44.210 42.059 0.151 0.000 1.311 347 L HN 0.262 nan 8.230 nan 0.000 0.423 348 E N 1.260 121.491 120.200 0.052 0.000 2.248 348 E HA 0.236 5.265 4.350 1.132 0.000 0.272 348 E C -0.758 175.860 176.600 0.030 0.000 1.008 348 E CA -0.938 55.479 56.400 0.029 0.000 0.856 348 E CB 1.874 31.588 29.700 0.023 0.000 1.120 348 E HN 0.311 nan 8.360 nan 0.000 0.397 349 K N 0.528 120.934 120.400 0.010 0.000 2.511 349 K HA -0.067 4.932 4.320 1.132 0.000 0.280 349 K C 0.706 177.328 176.600 0.037 0.000 1.008 349 K CA 1.305 57.601 56.287 0.015 0.000 1.050 349 K CB -0.092 32.403 32.500 -0.009 0.000 0.889 349 K HN 0.758 nan 8.250 nan 0.000 0.484 350 G N 3.084 111.945 108.800 0.101 0.000 2.217 350 G HA2 -0.214 4.425 3.960 1.132 0.000 0.246 350 G HA3 -0.214 4.425 3.960 1.132 0.000 0.246 350 G C -0.356 174.613 174.900 0.115 0.000 0.990 350 G CA 0.138 45.284 45.100 0.077 0.000 0.627 350 G HN 0.728 nan 8.290 nan 0.000 0.522 351 D N 1.764 122.237 120.400 0.121 0.000 2.443 351 D HA 0.437 5.756 4.640 1.132 0.000 0.239 351 D C 0.753 177.139 176.300 0.143 0.000 1.136 351 D CA 0.480 54.544 54.000 0.106 0.000 0.879 351 D CB 0.673 41.529 40.800 0.093 0.000 1.195 351 D HN 0.583 nan 8.370 nan 0.000 0.443 352 E N 0.901 121.145 120.200 0.073 0.000 2.242 352 E HA 0.577 5.606 4.350 1.132 0.000 0.275 352 E C -0.398 176.150 176.600 -0.087 0.000 1.002 352 E CA -0.664 55.756 56.400 0.034 0.000 0.841 352 E CB 1.500 31.201 29.700 0.001 0.000 1.109 352 E HN 0.242 nan 8.360 nan 0.000 0.394 353 L N 2.089 123.217 121.223 -0.158 0.000 2.388 353 L HA 0.534 5.554 4.340 1.132 0.000 0.264 353 L C -0.762 175.861 176.870 -0.413 0.000 0.998 353 L CA -1.027 53.625 54.840 -0.313 0.000 0.817 353 L CB 1.635 43.480 42.059 -0.356 0.000 1.338 353 L HN 0.362 nan 8.230 nan 0.000 0.414 354 M N 2.491 121.735 119.600 -0.593 0.000 2.321 354 M HA 0.414 5.573 4.480 1.132 0.000 0.315 354 M C -0.817 175.137 176.300 -0.576 0.000 1.052 354 M CA -0.665 54.246 55.300 -0.647 0.000 0.936 354 M CB 2.124 34.093 32.600 -1.051 0.000 1.639 354 M HN 0.152 nan 8.290 nan 0.000 0.433 355 V N 4.750 124.280 119.914 -0.640 0.000 2.364 355 V HA 0.251 5.051 4.120 1.132 0.000 0.272 355 V C -0.232 175.588 176.094 -0.457 0.000 1.036 355 V CA -0.689 61.208 62.300 -0.671 0.000 0.880 355 V CB 1.402 32.471 31.823 -1.257 0.000 0.991 355 V HN 0.611 nan 8.190 nan 0.000 0.460 356 L N 6.907 127.977 121.223 -0.256 0.000 2.328 356 L HA 0.410 5.430 4.340 1.132 0.000 0.280 356 L C 1.007 177.754 176.870 -0.204 0.000 1.111 356 L CA 0.571 55.330 54.840 -0.136 0.000 0.909 356 L CB 0.242 42.292 42.059 -0.015 0.000 1.277 356 L HN 0.582 nan 8.230 nan 0.000 0.433 357 I N 5.046 125.463 120.570 -0.255 0.000 2.208 357 I HA -0.164 4.685 4.170 1.132 0.000 0.245 357 I C -0.577 175.241 176.117 -0.499 0.000 1.097 357 I CA 1.001 62.061 61.300 -0.399 0.000 1.363 357 I CB -1.143 36.639 38.000 -0.362 0.000 1.051 357 I HN 0.512 nan 8.210 nan 0.000 0.413 358 P HA -0.146 nan 4.420 nan 0.000 0.220 358 P C 1.562 178.718 177.300 -0.240 0.000 1.148 358 P CA 1.130 64.037 63.100 -0.321 0.000 0.803 358 P CB -0.005 31.511 31.700 -0.308 0.000 0.782 359 Q N -0.948 118.755 119.800 -0.161 0.000 2.096 359 Q HA -0.045 4.974 4.340 1.132 0.000 0.197 359 Q C 2.096 178.077 176.000 -0.031 0.000 0.964 359 Q CA 0.824 56.579 55.803 -0.079 0.000 0.838 359 Q CB -1.280 27.441 28.738 -0.028 0.000 0.906 359 Q HN 0.225 nan 8.270 nan 0.000 0.444 360 L N 0.697 121.886 121.223 -0.057 0.000 2.043 360 L HA -0.199 4.821 4.340 1.132 0.000 0.212 360 L C 1.774 178.799 176.870 0.259 0.000 1.075 360 L CA 1.960 56.837 54.840 0.061 0.000 0.752 360 L CB -0.647 41.405 42.059 -0.011 0.000 0.891 360 L HN 0.317 nan 8.230 nan 0.000 0.432 361 H N -1.219 117.862 119.070 0.019 0.000 2.563 361 H HA 0.081 5.318 4.556 1.136 0.000 0.272 361 H C 0.969 176.082 175.328 -0.357 0.000 1.005 361 H CA 0.124 56.098 56.048 -0.122 0.000 1.171 361 H CB 0.180 29.820 29.762 -0.203 0.000 1.351 361 H HN 0.350 nan 8.280 nan 0.000 0.602 362 R N 0.665 121.146 120.500 -0.031 0.000 2.577 362 R HA 0.021 5.040 4.340 1.132 0.000 0.344 362 R C -0.406 175.951 176.300 0.094 0.000 1.037 362 R CA -0.218 55.847 56.100 -0.060 0.000 1.102 362 R CB 0.632 30.876 30.300 -0.094 0.000 1.313 362 R HN 0.104 nan 8.270 nan 0.000 0.561 363 D N 1.635 122.185 120.400 0.248 0.000 2.342 363 D HA 0.007 5.327 4.640 1.132 0.000 0.260 363 D C 0.502 176.964 176.300 0.270 0.000 1.278 363 D CA 0.346 54.486 54.000 0.235 0.000 0.910 363 D CB 0.952 41.894 40.800 0.237 0.000 1.079 363 D HN 0.012 nan 8.370 nan 0.000 0.496 364 K N 1.329 121.821 120.400 0.153 0.000 2.283 364 K HA -0.102 4.897 4.320 1.132 0.000 0.202 364 K C 1.860 178.506 176.600 0.078 0.000 1.048 364 K CA 1.275 57.636 56.287 0.123 0.000 0.948 364 K CB 0.041 32.585 32.500 0.073 0.000 0.742 364 K HN 0.515 nan 8.250 nan 0.000 0.458 365 T N -0.933 113.654 114.554 0.055 0.000 3.035 365 T HA -0.005 5.024 4.350 1.132 0.000 0.268 365 T C 1.657 176.331 174.700 -0.043 0.000 1.109 365 T CA 0.577 62.682 62.100 0.009 0.000 1.119 365 T CB 0.004 68.878 68.868 0.011 0.000 0.900 365 T HN -0.040 nan 8.240 nan 0.000 0.503 366 I N -1.094 119.437 120.570 -0.065 0.000 2.899 366 I HA 0.247 5.097 4.170 1.132 0.000 0.257 366 I C 1.696 177.573 176.117 -0.400 0.000 1.115 366 I CA 0.426 61.552 61.300 -0.289 0.000 1.451 366 I CB -0.914 36.808 38.000 -0.463 0.000 1.251 366 I HN 0.319 nan 8.210 nan 0.000 0.456 367 W N 1.941 123.202 121.300 -0.065 0.000 3.003 367 W HA 0.419 5.757 4.660 1.131 0.000 0.257 367 W C 1.267 177.733 176.519 -0.089 0.000 1.308 367 W CA 1.008 58.292 57.345 -0.102 0.000 1.529 367 W CB -0.256 29.138 29.460 -0.110 0.000 1.115 367 W HN 0.282 nan 8.180 nan 0.000 0.659 368 G N 0.647 109.509 108.800 0.103 0.000 2.592 368 G HA2 -0.235 4.405 3.960 1.132 0.000 0.684 368 G HA3 -0.235 4.405 3.960 1.132 0.000 0.684 368 G C 0.035 174.978 174.900 0.072 0.000 1.291 368 G CA -0.268 44.866 45.100 0.057 0.000 0.891 368 G HN 0.009 nan 8.290 nan 0.000 0.544 369 D N 0.226 120.651 120.400 0.043 0.000 2.277 369 D HA -0.006 5.313 4.640 1.132 0.000 0.208 369 D C 1.631 177.950 176.300 0.032 0.000 0.962 369 D CA 1.411 55.434 54.000 0.038 0.000 0.865 369 D CB -0.085 40.731 40.800 0.026 0.000 0.939 369 D HN 0.638 nan 8.370 nan 0.000 0.510 370 D N 1.062 121.479 120.400 0.028 0.000 2.663 370 D HA -0.072 5.247 4.640 1.132 0.000 0.243 370 D C 1.748 178.045 176.300 -0.006 0.000 1.218 370 D CA -0.095 53.914 54.000 0.016 0.000 0.846 370 D CB -0.507 40.300 40.800 0.013 0.000 1.014 370 D HN 0.111 nan 8.370 nan 0.000 0.476 371 V N -2.343 117.566 119.914 -0.009 0.000 2.720 371 V HA -0.176 4.623 4.120 1.132 0.000 0.256 371 V C 1.679 177.709 176.094 -0.107 0.000 1.082 371 V CA 1.204 63.459 62.300 -0.075 0.000 1.101 371 V CB -0.449 31.333 31.823 -0.068 0.000 0.693 371 V HN 0.065 nan 8.190 nan 0.000 0.479 372 E N 0.585 120.760 120.200 -0.042 0.000 2.435 372 E HA 0.097 5.126 4.350 1.132 0.000 0.195 372 E C 0.726 177.340 176.600 0.024 0.000 1.029 372 E CA 0.105 56.498 56.400 -0.011 0.000 0.865 372 E CB 0.070 29.793 29.700 0.039 0.000 0.833 372 E HN 0.800 nan 8.360 nan 0.000 0.510 373 E N 0.296 120.500 120.200 0.006 0.000 2.366 373 E HA 0.100 5.129 4.350 1.132 0.000 0.266 373 E C -0.682 175.914 176.600 -0.007 0.000 1.051 373 E CA -0.357 56.068 56.400 0.040 0.000 0.884 373 E CB 0.696 30.414 29.700 0.030 0.000 1.006 373 E HN -0.097 nan 8.360 nan 0.000 0.417 374 F N 3.304 123.195 119.950 -0.099 0.000 2.335 374 F HA 0.245 5.399 4.527 1.045 0.000 0.365 374 F C -0.104 175.651 175.800 -0.074 0.000 1.122 374 F CA -0.375 57.503 58.000 -0.204 0.000 1.151 374 F CB 0.316 39.183 39.000 -0.221 0.000 1.282 374 F HN 0.199 nan 8.300 nan 0.000 0.513 375 R N 7.832 128.047 120.500 -0.475 0.000 2.545 375 R HA 0.343 5.362 4.340 1.132 0.000 0.289 375 R C -2.369 173.712 176.300 -0.364 0.000 1.327 375 R CA -1.653 54.277 56.100 -0.283 0.000 1.040 375 R CB 1.252 31.481 30.300 -0.118 0.000 1.176 375 R HN 0.294 nan 8.270 nan 0.000 0.518 376 P HA -0.167 nan 4.420 nan 0.000 0.218 376 P C 0.174 177.384 177.300 -0.150 0.000 1.146 376 P CA 1.113 63.987 63.100 -0.377 0.000 0.813 376 P CB 0.383 31.734 31.700 -0.581 0.000 0.778 377 E N -0.776 119.379 120.200 -0.075 0.000 2.331 377 E HA -0.163 4.866 4.350 1.132 0.000 0.199 377 E C 1.832 178.390 176.600 -0.070 0.000 1.008 377 E CA 0.746 57.141 56.400 -0.009 0.000 0.843 377 E CB -0.608 29.115 29.700 0.038 0.000 0.761 377 E HN 0.287 nan 8.360 nan 0.000 0.507 378 R N -0.620 119.795 120.500 -0.143 0.000 2.200 378 R HA -0.088 4.931 4.340 1.132 0.000 0.234 378 R C 0.618 176.627 176.300 -0.486 0.000 1.127 378 R CA 0.881 56.802 56.100 -0.299 0.000 0.989 378 R CB -0.145 29.905 30.300 -0.417 0.000 0.869 378 R HN 0.209 nan 8.270 nan 0.000 0.459 379 F N -0.199 119.661 119.950 -0.150 0.000 2.750 379 F HA 0.153 5.354 4.527 1.123 0.000 0.297 379 F C 1.620 177.360 175.800 -0.100 0.000 1.138 379 F CA -0.361 57.548 58.000 -0.151 0.000 1.346 379 F CB 0.426 39.295 39.000 -0.218 0.000 0.965 379 F HN -0.113 nan 8.300 nan 0.000 0.514 380 E N 1.518 121.734 120.200 0.027 0.000 2.110 380 E HA -0.132 4.898 4.350 1.132 0.000 0.193 380 E C -0.211 176.408 176.600 0.032 0.000 0.988 380 E CA 1.304 57.728 56.400 0.039 0.000 0.804 380 E CB -0.058 29.657 29.700 0.025 0.000 0.745 380 E HN 0.395 nan 8.360 nan 0.000 0.458 381 N N -0.316 118.383 118.700 -0.001 0.000 2.716 381 N HA 0.178 5.597 4.740 1.132 0.000 0.253 381 N C -2.366 173.133 175.510 -0.017 0.000 1.170 381 N CA -1.080 51.967 53.050 -0.004 0.000 0.807 381 N CB 1.822 40.295 38.487 -0.023 0.000 1.183 381 N HN -0.050 nan 8.380 nan 0.000 0.524 382 P HA -0.166 nan 4.420 nan 0.000 0.218 382 P C 0.886 178.191 177.300 0.009 0.000 1.146 382 P CA 1.218 64.351 63.100 0.054 0.000 0.820 382 P CB 0.367 32.144 31.700 0.129 0.000 0.778 383 S N -0.553 115.146 115.700 -0.001 0.000 2.419 383 S HA -0.109 5.040 4.470 1.132 0.000 0.233 383 S C 1.930 176.497 174.600 -0.054 0.000 1.016 383 S CA 1.169 59.360 58.200 -0.016 0.000 0.974 383 S CB -0.774 62.421 63.200 -0.010 0.000 0.786 383 S HN 0.210 nan 8.310 nan 0.000 0.492 384 A N 0.691 123.461 122.820 -0.083 0.000 2.206 384 A HA 0.237 5.236 4.320 1.132 0.000 0.211 384 A C 0.769 178.244 177.584 -0.180 0.000 1.158 384 A CA 0.169 52.133 52.037 -0.120 0.000 0.761 384 A CB -0.443 18.480 19.000 -0.128 0.000 0.801 384 A HN 0.454 nan 8.150 nan 0.000 0.473 385 I N 1.770 122.230 120.570 -0.183 0.000 2.436 385 I HA 0.144 4.993 4.170 1.132 0.000 0.289 385 I C -2.153 173.856 176.117 -0.180 0.000 1.083 385 I CA -1.871 59.271 61.300 -0.263 0.000 1.372 385 I CB 0.837 38.705 38.000 -0.221 0.000 1.408 385 I HN 0.052 nan 8.210 nan 0.000 0.516 386 P HA -0.074 nan 4.420 nan 0.000 0.265 386 P C -0.487 176.756 177.300 -0.095 0.000 1.187 386 P CA -0.180 62.830 63.100 -0.150 0.000 0.766 386 P CB 0.380 31.975 31.700 -0.174 0.000 0.820 387 Q N 2.445 122.181 119.800 -0.106 0.000 2.315 387 Q HA -0.093 4.926 4.340 1.132 0.000 0.289 387 Q C -0.058 175.867 176.000 -0.125 0.000 1.044 387 Q CA 0.340 56.028 55.803 -0.192 0.000 0.920 387 Q CB -0.256 28.286 28.738 -0.328 0.000 1.214 387 Q HN 0.583 nan 8.270 nan 0.000 0.392 388 H N 0.430 119.560 119.070 0.100 0.000 3.237 388 H HA -0.273 4.962 4.556 1.132 0.000 0.231 388 H C 0.524 175.950 175.328 0.163 0.000 1.148 388 H CA 0.353 56.475 56.048 0.124 0.000 1.155 388 H CB -1.386 28.426 29.762 0.083 0.000 1.210 388 H HN 0.661 nan 8.280 nan 0.000 0.317 389 A N 0.150 123.123 122.820 0.254 0.000 2.030 389 A HA 0.229 5.228 4.320 1.132 0.000 0.215 389 A C 0.440 178.388 177.584 0.608 0.000 1.164 389 A CA 0.710 52.920 52.037 0.288 0.000 0.697 389 A CB 0.357 19.354 19.000 -0.006 0.000 0.827 389 A HN 0.263 nan 8.150 nan 0.000 0.457 390 F N 0.605 120.784 119.950 0.381 0.000 2.500 390 F HA 0.542 5.750 4.527 1.135 0.000 0.349 390 F C -0.446 175.607 175.800 0.423 0.000 1.127 390 F CA -1.204 57.051 58.000 0.425 0.000 0.998 390 F CB 1.477 40.727 39.000 0.418 0.000 1.237 390 F HN -0.180 nan 8.300 nan 0.000 0.439 391 K N 7.484 128.037 120.400 0.254 0.000 3.239 391 K HA 0.229 5.228 4.320 1.132 0.000 0.204 391 K C -2.269 174.279 176.600 -0.087 0.000 1.126 391 K CA -1.021 55.314 56.287 0.080 0.000 0.948 391 K CB 0.723 33.378 32.500 0.259 0.000 0.818 391 K HN 0.374 nan 8.250 nan 0.000 0.480 392 P HA -0.054 nan 4.420 nan 0.000 0.230 392 P C 0.340 177.281 177.300 -0.599 0.000 1.158 392 P CA 0.710 63.519 63.100 -0.486 0.000 0.769 392 P CB 0.051 31.300 31.700 -0.752 0.000 0.807 393 F N -0.167 119.693 119.950 -0.149 0.000 2.708 393 F HA 0.455 5.658 4.527 1.126 0.000 0.300 393 F C 1.706 177.357 175.800 -0.249 0.000 1.118 393 F CA 0.377 58.293 58.000 -0.139 0.000 1.307 393 F CB -0.004 38.940 39.000 -0.093 0.000 0.986 393 F HN 0.041 nan 8.300 nan 0.000 0.522 394 G N 1.450 110.093 108.800 -0.262 0.000 2.584 394 G HA2 -0.263 4.376 3.960 1.132 0.000 0.229 394 G HA3 -0.263 4.376 3.960 1.132 0.000 0.229 394 G C -0.960 173.621 174.900 -0.532 0.000 1.320 394 G CA -0.427 44.227 45.100 -0.744 0.000 0.891 394 G HN 0.453 nan 8.290 nan 0.000 0.573 395 N N -0.237 118.093 118.700 -0.617 0.000 2.235 395 N HA 0.669 6.089 4.740 1.132 0.000 0.293 395 N C 0.831 176.224 175.510 -0.194 0.000 1.083 395 N CA 1.622 54.496 53.050 -0.293 0.000 0.801 395 N CB 1.512 39.846 38.487 -0.254 0.000 1.559 395 N HN 2.338 nan 8.380 nan 0.000 0.472 396 G N 2.022 110.782 108.800 -0.067 0.000 2.627 396 G HA2 -0.418 4.222 3.960 1.132 0.000 0.312 396 G HA3 -0.418 4.222 3.960 1.132 0.000 0.312 396 G C 0.726 175.588 174.900 -0.064 0.000 1.299 396 G CA 1.004 46.078 45.100 -0.043 0.000 0.989 396 G HN 0.855 nan 8.290 nan 0.000 0.547 397 Q N -0.239 119.513 119.800 -0.079 0.000 2.364 397 Q HA 0.039 5.058 4.340 1.132 0.000 0.207 397 Q C 1.792 177.729 176.000 -0.105 0.000 0.970 397 Q CA 1.406 57.175 55.803 -0.057 0.000 0.888 397 Q CB 0.058 28.777 28.738 -0.031 0.000 0.951 397 Q HN 0.436 nan 8.270 nan 0.000 0.469 398 R N 0.688 121.043 120.500 -0.242 0.000 2.515 398 R HA 0.413 5.432 4.340 1.132 0.000 0.294 398 R C 0.026 176.159 176.300 -0.279 0.000 1.021 398 R CA 0.338 56.251 56.100 -0.312 0.000 1.081 398 R CB 0.118 30.136 30.300 -0.469 0.000 1.263 398 R HN 0.321 nan 8.270 nan 0.000 0.557 399 A N 0.359 123.070 122.820 -0.182 0.000 2.310 399 A HA 0.103 5.102 4.320 1.132 0.000 0.260 399 A C 0.258 177.767 177.584 -0.125 0.000 1.112 399 A CA -0.416 51.516 52.037 -0.174 0.000 0.804 399 A CB 0.359 19.308 19.000 -0.085 0.000 1.081 399 A HN 0.455 nan 8.150 nan 0.000 0.499 400 C N 1.348 120.599 119.300 -0.082 0.000 2.592 400 C HA 0.123 5.262 4.460 1.132 0.000 0.408 400 C C 1.702 176.630 174.990 -0.104 0.000 1.436 400 C CA 0.246 59.230 59.018 -0.057 0.000 1.595 400 C CB -1.958 25.868 27.740 0.144 0.000 2.487 400 C HN 0.741 nan 8.230 nan 0.000 0.610 401 I N 4.450 124.935 120.570 -0.142 0.000 2.761 401 I HA 0.111 4.961 4.170 1.132 0.000 0.261 401 I C 1.946 177.727 176.117 -0.560 0.000 1.198 401 I CA 1.482 62.643 61.300 -0.231 0.000 1.482 401 I CB -0.027 37.881 38.000 -0.153 0.000 1.100 401 I HN 0.908 nan 8.210 nan 0.000 0.445 402 G N -0.109 108.412 108.800 -0.464 0.000 3.337 402 G HA2 -0.049 4.590 3.960 1.132 0.000 0.246 402 G HA3 -0.049 4.590 3.960 1.132 0.000 0.246 402 G C 1.170 176.032 174.900 -0.064 0.000 1.131 402 G CA -0.118 44.725 45.100 -0.428 0.000 0.773 402 G HN 0.418 nan 8.290 nan 0.000 0.544 403 Q N 0.016 119.688 119.800 -0.212 0.000 2.045 403 Q HA -0.226 4.793 4.340 1.132 0.000 0.206 403 Q C 2.249 178.122 176.000 -0.212 0.000 0.991 403 Q CA 1.576 57.076 55.803 -0.505 0.000 0.851 403 Q CB -0.025 28.156 28.738 -0.929 0.000 0.911 403 Q HN 0.329 nan 8.270 nan 0.000 0.418 404 Q N -0.535 119.250 119.800 -0.024 0.000 2.167 404 Q HA -0.127 4.893 4.340 1.132 0.000 0.202 404 Q C 1.798 177.967 176.000 0.281 0.000 0.970 404 Q CA 1.013 56.888 55.803 0.120 0.000 0.855 404 Q CB -0.340 28.492 28.738 0.158 0.000 0.911 404 Q HN 0.435 nan 8.270 nan 0.000 0.438 405 F N 1.217 121.314 119.950 0.244 0.000 2.113 405 F HA -0.146 5.061 4.527 1.134 0.000 0.297 405 F C 2.150 178.110 175.800 0.266 0.000 1.103 405 F CA 1.379 59.576 58.000 0.328 0.000 1.248 405 F CB -0.388 38.883 39.000 0.452 0.000 0.999 405 F HN 0.046 nan 8.300 nan 0.000 0.475 406 A N 0.673 123.811 122.820 0.531 0.000 1.883 406 A HA -0.172 4.828 4.320 1.132 0.000 0.217 406 A C 2.298 180.049 177.584 0.277 0.000 1.186 406 A CA 2.020 54.305 52.037 0.413 0.000 0.624 406 A CB -1.265 17.976 19.000 0.401 0.000 0.822 406 A HN 0.501 nan 8.150 nan 0.000 0.444 407 L N -1.995 119.365 121.223 0.228 0.000 2.156 407 L HA -0.127 4.892 4.340 1.132 0.000 0.208 407 L C 2.571 179.525 176.870 0.140 0.000 1.095 407 L CA 1.513 56.463 54.840 0.183 0.000 0.770 407 L CB -0.549 41.597 42.059 0.144 0.000 0.914 407 L HN 0.620 nan 8.230 nan 0.000 0.439 408 H N 0.094 119.200 119.070 0.061 0.000 2.333 408 H HA -0.174 5.065 4.556 1.139 0.000 0.302 408 H C 2.263 177.592 175.328 0.002 0.000 1.075 408 H CA 1.851 57.911 56.048 0.019 0.000 1.348 408 H CB 0.288 30.063 29.762 0.022 0.000 1.393 408 H HN 0.261 nan 8.280 nan 0.000 0.509 409 E N -0.088 120.134 120.200 0.036 0.000 2.058 409 E HA -0.199 4.830 4.350 1.132 0.000 0.194 409 E C 2.200 178.814 176.600 0.024 0.000 0.997 409 E CA 1.065 57.457 56.400 -0.014 0.000 0.801 409 E CB -0.237 29.461 29.700 -0.004 0.000 0.746 409 E HN 0.565 nan 8.360 nan 0.000 0.450 410 A N 0.117 122.987 122.820 0.083 0.000 1.929 410 A HA -0.106 4.893 4.320 1.132 0.000 0.216 410 A C 2.335 179.960 177.584 0.068 0.000 1.176 410 A CA 1.758 53.858 52.037 0.105 0.000 0.628 410 A CB -0.671 18.424 19.000 0.159 0.000 0.816 410 A HN 0.331 nan 8.150 nan 0.000 0.444 411 T N 0.181 114.748 114.554 0.022 0.000 2.777 411 T HA -0.100 4.929 4.350 1.132 0.000 0.266 411 T C 1.860 176.541 174.700 -0.032 0.000 1.040 411 T CA 1.415 63.514 62.100 -0.002 0.000 1.141 411 T CB -0.364 68.477 68.868 -0.045 0.000 0.868 411 T HN 0.378 nan 8.240 nan 0.000 0.444 412 L N 1.456 122.611 121.223 -0.113 0.000 1.989 412 L HA -0.048 4.971 4.340 1.132 0.000 0.211 412 L C 2.378 179.248 176.870 -0.000 0.000 1.071 412 L CA 1.673 56.461 54.840 -0.087 0.000 0.749 412 L CB -0.765 41.203 42.059 -0.152 0.000 0.890 412 L HN 0.057 nan 8.230 nan 0.000 0.431 413 V N -0.467 119.454 119.914 0.013 0.000 2.358 413 V HA -0.231 4.568 4.120 1.132 0.000 0.246 413 V C 2.496 178.648 176.094 0.096 0.000 1.047 413 V CA 1.657 63.982 62.300 0.042 0.000 1.035 413 V CB -0.676 31.172 31.823 0.041 0.000 0.658 413 V HN 0.516 nan 8.190 nan 0.000 0.452 414 L N 1.328 122.615 121.223 0.106 0.000 2.093 414 L HA 0.020 5.039 4.340 1.132 0.000 0.208 414 L C 2.311 179.284 176.870 0.170 0.000 1.085 414 L CA 2.284 57.212 54.840 0.146 0.000 0.755 414 L CB -1.308 40.834 42.059 0.139 0.000 0.904 414 L HN 0.268 nan 8.230 nan 0.000 0.435 415 G N -0.725 108.153 108.800 0.130 0.000 2.421 415 G HA2 -0.294 4.346 3.960 1.132 0.000 0.216 415 G HA3 -0.294 4.346 3.960 1.132 0.000 0.216 415 G C 1.555 176.552 174.900 0.162 0.000 1.171 415 G CA 1.068 46.246 45.100 0.131 0.000 0.775 415 G HN 0.400 nan 8.290 nan 0.000 0.543 416 M N -0.274 119.428 119.600 0.169 0.000 2.159 416 M HA 0.042 5.201 4.480 1.132 0.000 0.263 416 M C 2.744 179.269 176.300 0.374 0.000 1.063 416 M CA 1.274 56.725 55.300 0.251 0.000 1.110 416 M CB -0.313 32.396 32.600 0.183 0.000 1.374 416 M HN 0.209 nan 8.290 nan 0.000 0.411 417 M N 0.037 119.868 119.600 0.384 0.000 2.080 417 M HA -0.214 4.945 4.480 1.132 0.000 0.260 417 M C 2.033 178.767 176.300 0.724 0.000 1.068 417 M CA 1.646 57.342 55.300 0.659 0.000 1.109 417 M CB -0.424 32.521 32.600 0.575 0.000 1.342 417 M HN 0.265 nan 8.290 nan 0.000 0.405 418 L N -0.380 121.131 121.223 0.481 0.000 2.217 418 L HA -0.173 4.846 4.340 1.132 0.000 0.211 418 L C 2.504 179.512 176.870 0.230 0.000 1.107 418 L CA 1.006 56.091 54.840 0.407 0.000 0.783 418 L CB -0.599 41.634 42.059 0.290 0.000 0.919 418 L HN 0.316 nan 8.230 nan 0.000 0.442 419 K N -0.690 119.789 120.400 0.132 0.000 2.062 419 K HA -0.147 4.852 4.320 1.132 0.000 0.205 419 K C 2.006 178.442 176.600 -0.274 0.000 1.051 419 K CA 1.107 57.339 56.287 -0.092 0.000 0.941 419 K CB 0.049 32.431 32.500 -0.197 0.000 0.719 419 K HN 0.378 nan 8.250 nan 0.000 0.440 420 H N -1.477 117.542 119.070 -0.085 0.000 2.562 420 H HA 0.125 5.361 4.556 1.132 0.000 0.267 420 H C -0.253 174.580 175.328 -0.825 0.000 0.959 420 H CA 0.536 56.299 56.048 -0.475 0.000 1.204 420 H CB 0.385 29.750 29.762 -0.661 0.000 1.430 420 H HN 0.023 nan 8.280 nan 0.000 0.545 421 F N 0.107 120.078 119.950 0.034 0.000 2.626 421 F HA 0.287 5.488 4.527 1.123 0.000 0.311 421 F C -0.175 175.407 175.800 -0.364 0.000 1.088 421 F CA -1.172 56.689 58.000 -0.231 0.000 0.949 421 F CB 1.712 40.398 39.000 -0.524 0.000 1.322 421 F HN -0.252 nan 8.300 nan 0.000 0.461 422 D N 1.329 121.624 120.400 -0.175 0.000 2.193 422 D HA 0.381 5.701 4.640 1.132 0.000 0.244 422 D C -1.058 175.028 176.300 -0.357 0.000 1.064 422 D CA -0.006 53.910 54.000 -0.139 0.000 0.845 422 D CB 1.644 42.418 40.800 -0.045 0.000 1.148 422 D HN 0.134 nan 8.370 nan 0.000 0.464 423 F N 0.920 120.922 119.950 0.086 0.000 2.425 423 F HA 0.281 5.486 4.527 1.130 0.000 0.331 423 F C 0.857 176.669 175.800 0.020 0.000 1.085 423 F CA -0.740 57.275 58.000 0.025 0.000 1.028 423 F CB 1.593 40.612 39.000 0.032 0.000 1.177 423 F HN 0.153 nan 8.300 nan 0.000 0.487 424 E N 1.478 121.777 120.200 0.164 0.000 2.224 424 E HA 0.151 5.181 4.350 1.132 0.000 0.265 424 E C -1.626 175.087 176.600 0.188 0.000 0.878 424 E CA -0.747 55.732 56.400 0.131 0.000 0.759 424 E CB 1.397 31.137 29.700 0.065 0.000 1.164 424 E HN 0.545 nan 8.360 nan 0.000 0.414 425 D N 3.878 124.377 120.400 0.165 0.000 2.558 425 D HA -0.031 5.289 4.640 1.132 0.000 0.221 425 D C 1.037 177.413 176.300 0.126 0.000 1.143 425 D CA -0.084 54.015 54.000 0.166 0.000 1.010 425 D CB 0.035 40.909 40.800 0.123 0.000 1.068 425 D HN 0.597 nan 8.370 nan 0.000 0.511 426 H N 0.927 120.008 119.070 0.018 0.000 2.491 426 H HA -0.087 5.147 4.556 1.130 0.000 0.290 426 H C 1.063 176.392 175.328 0.001 0.000 1.050 426 H CA 1.506 57.553 56.048 -0.001 0.000 1.309 426 H CB -0.652 29.093 29.762 -0.029 0.000 1.392 426 H HN 0.332 nan 8.280 nan 0.000 0.554 427 T N -2.600 111.696 114.554 -0.430 0.000 3.069 427 T HA 0.043 5.072 4.350 1.132 0.000 0.252 427 T C 0.552 175.207 174.700 -0.076 0.000 1.053 427 T CA 0.121 62.060 62.100 -0.267 0.000 0.964 427 T CB -0.553 68.114 68.868 -0.336 0.000 1.005 427 T HN 0.355 nan 8.240 nan 0.000 0.532 428 N N 1.152 119.842 118.700 -0.016 0.000 2.696 428 N HA -0.237 5.182 4.740 1.132 0.000 0.256 428 N C -0.559 174.982 175.510 0.053 0.000 1.031 428 N CA 0.191 53.256 53.050 0.025 0.000 0.730 428 N CB -2.396 36.091 38.487 -0.000 0.000 0.894 428 N HN 0.784 nan 8.380 nan 0.000 0.544 429 Y N 0.854 121.147 120.300 -0.011 0.000 2.805 429 Y HA 0.055 5.283 4.550 1.129 0.000 0.331 429 Y C 0.783 176.700 175.900 0.028 0.000 1.241 429 Y CA 0.330 58.442 58.100 0.020 0.000 1.546 429 Y CB 0.407 38.949 38.460 0.136 0.000 1.248 429 Y HN 0.364 nan 8.280 nan 0.000 0.559 430 E N 6.962 126.753 120.200 -0.682 0.000 2.130 430 E HA 0.236 5.265 4.350 1.132 0.000 0.284 430 E C -1.152 174.786 176.600 -1.104 0.000 1.018 430 E CA -1.054 54.980 56.400 -0.610 0.000 0.817 430 E CB 0.613 30.105 29.700 -0.347 0.000 1.078 430 E HN 0.745 nan 8.360 nan 0.000 0.396 431 L N 4.955 125.710 121.223 -0.781 0.000 2.601 431 L HA 0.043 5.063 4.340 1.132 0.000 0.277 431 L C -0.738 175.811 176.870 -0.536 0.000 1.219 431 L CA 1.111 55.483 54.840 -0.780 0.000 0.915 431 L CB 0.474 42.126 42.059 -0.679 0.000 1.160 431 L HN 0.546 nan 8.230 nan 0.000 0.494 432 D N 5.654 125.810 120.400 -0.406 0.000 2.473 432 D HA 0.298 5.617 4.640 1.132 0.000 0.253 432 D C -0.790 175.371 176.300 -0.233 0.000 1.233 432 D CA -0.240 53.610 54.000 -0.250 0.000 0.908 432 D CB 0.652 41.360 40.800 -0.153 0.000 1.170 432 D HN 0.450 nan 8.370 nan 0.000 0.558 433 I N 3.456 123.860 120.570 -0.277 0.000 2.297 433 I HA 0.203 5.053 4.170 1.132 0.000 0.291 433 I C 0.687 176.702 176.117 -0.169 0.000 1.033 433 I CA -0.677 60.457 61.300 -0.276 0.000 1.253 433 I CB 1.047 38.800 38.000 -0.411 0.000 1.396 433 I HN 0.105 nan 8.210 nan 0.000 0.476 434 K N 6.999 127.318 120.400 -0.135 0.000 2.205 434 K HA 0.323 5.322 4.320 1.132 0.000 0.279 434 K C -0.533 176.033 176.600 -0.057 0.000 1.027 434 K CA -0.365 55.872 56.287 -0.084 0.000 0.932 434 K CB 0.910 33.366 32.500 -0.073 0.000 1.032 434 K HN 0.525 nan 8.250 nan 0.000 0.466 435 E N 2.138 122.315 120.200 -0.037 0.000 2.171 435 E HA 0.171 5.200 4.350 1.132 0.000 0.271 435 E C -0.878 175.716 176.600 -0.010 0.000 0.916 435 E CA -0.686 55.706 56.400 -0.014 0.000 0.774 435 E CB 1.911 31.607 29.700 -0.008 0.000 1.128 435 E HN 0.718 nan 8.360 nan 0.000 0.403 436 T N 0.746 115.299 114.554 -0.001 0.000 4.003 436 T HA 0.305 5.334 4.350 1.132 0.000 0.239 436 T C 0.750 175.457 174.700 0.012 0.000 0.992 436 T CA -0.381 61.720 62.100 0.002 0.000 1.317 436 T CB -0.445 68.418 68.868 -0.008 0.000 0.940 436 T HN 0.621 nan 8.240 nan 0.000 0.593 437 L N -0.918 120.316 121.223 0.018 0.000 3.246 437 L HA -0.243 4.776 4.340 1.132 0.000 0.368 437 L C 1.237 178.122 176.870 0.024 0.000 3.893 437 L CA 1.872 56.724 54.840 0.020 0.000 1.714 437 L CB -2.525 39.543 42.059 0.016 0.000 3.108 437 L HN 0.761 nan 8.230 nan 0.000 0.819 438 T N 1.002 115.565 114.554 0.015 0.000 2.828 438 T HA 0.601 5.630 4.350 1.132 0.000 0.290 438 T C -0.171 174.563 174.700 0.056 0.000 1.019 438 T CA -0.673 61.447 62.100 0.033 0.000 1.031 438 T CB 1.384 70.255 68.868 0.005 0.000 1.001 438 T HN 0.252 nan 8.240 nan 0.000 0.531 439 L N 0.985 122.276 121.223 0.114 0.000 2.329 439 L HA 0.738 5.758 4.340 1.132 0.000 0.279 439 L C -0.029 176.960 176.870 0.198 0.000 1.014 439 L CA -0.967 53.969 54.840 0.160 0.000 0.814 439 L CB 1.809 44.022 42.059 0.256 0.000 1.257 439 L HN 0.802 nan 8.230 nan 0.000 0.424 440 K N 3.384 123.790 120.400 0.010 0.000 2.562 440 K HA 0.503 5.503 4.320 1.132 0.000 0.267 440 K C -2.872 173.447 176.600 -0.468 0.000 0.938 440 K CA -1.461 54.666 56.287 -0.266 0.000 0.840 440 K CB 2.981 35.392 32.500 -0.148 0.000 1.390 440 K HN 0.116 nan 8.250 nan 0.000 0.428 441 P HA 0.045 nan 4.420 nan 0.000 0.269 441 P C -1.505 175.646 177.300 -0.248 0.000 1.209 441 P CA -0.038 62.722 63.100 -0.566 0.000 0.776 441 P CB 0.720 32.016 31.700 -0.674 0.000 0.876 442 E N 1.364 121.498 120.200 -0.109 0.000 2.187 442 E HA 0.465 5.494 4.350 1.132 0.000 0.268 442 E C 0.487 177.126 176.600 0.065 0.000 0.896 442 E CA -0.642 55.735 56.400 -0.038 0.000 0.766 442 E CB 0.436 30.112 29.700 -0.040 0.000 1.142 442 E HN 0.636 nan 8.360 nan 0.000 0.408 443 G N 3.697 112.509 108.800 0.021 0.000 2.162 443 G HA2 -0.301 4.339 3.960 1.132 0.000 0.260 443 G HA3 -0.301 4.339 3.960 1.132 0.000 0.260 443 G C -0.226 174.618 174.900 -0.094 0.000 0.976 443 G CA 0.225 45.355 45.100 0.050 0.000 0.655 443 G HN 0.486 nan 8.290 nan 0.000 0.533 444 F N 2.376 121.970 119.950 -0.593 0.000 2.506 444 F HA 0.535 5.735 4.527 1.123 0.000 0.371 444 F C 0.525 176.013 175.800 -0.521 0.000 1.078 444 F CA -1.013 56.307 58.000 -1.133 0.000 1.195 444 F CB 0.814 39.232 39.000 -0.969 0.000 1.099 444 F HN 0.587 nan 8.300 nan 0.000 0.548 445 V N 5.916 125.503 119.914 -0.546 0.000 2.962 445 V HA 0.925 5.725 4.120 1.132 0.000 0.313 445 V C -0.831 175.060 176.094 -0.337 0.000 1.099 445 V CA -0.552 61.503 62.300 -0.408 0.000 0.971 445 V CB 1.035 32.758 31.823 -0.167 0.000 1.028 445 V HN 0.920 nan 8.190 nan 0.000 0.430 446 V N 0.040 119.833 119.914 -0.202 0.000 3.202 446 V HA 0.743 5.543 4.120 1.132 0.000 0.306 446 V C -0.882 175.143 176.094 -0.114 0.000 1.283 446 V CA -1.060 61.232 62.300 -0.013 0.000 1.065 446 V CB 2.138 33.866 31.823 -0.158 0.000 1.079 446 V HN 1.019 nan 8.190 nan 0.000 0.448 447 K N 0.808 121.109 120.400 -0.165 0.000 2.259 447 K HA 0.866 5.865 4.320 1.132 0.000 0.252 447 K C -0.771 175.669 176.600 -0.267 0.000 0.936 447 K CA -0.337 55.751 56.287 -0.331 0.000 0.810 447 K CB 2.147 34.405 32.500 -0.403 0.000 1.143 447 K HN 1.180 nan 8.250 nan 0.000 0.427 448 A N 3.316 125.900 122.820 -0.392 0.000 2.310 448 A HA 0.282 5.282 4.320 1.132 0.000 0.304 448 A C -0.861 176.586 177.584 -0.229 0.000 1.231 448 A CA -0.868 50.860 52.037 -0.515 0.000 0.799 448 A CB 0.192 18.640 19.000 -0.920 0.000 1.162 448 A HN 0.757 nan 8.150 nan 0.000 0.486 449 K N 1.928 122.248 120.400 -0.134 0.000 2.248 449 K HA 0.498 5.497 4.320 1.132 0.000 0.281 449 K C 0.061 176.721 176.600 0.100 0.000 1.054 449 K CA -0.201 56.079 56.287 -0.011 0.000 0.903 449 K CB 1.331 33.805 32.500 -0.042 0.000 1.077 449 K HN 0.345 nan 8.250 nan 0.000 0.474 450 S N 2.525 118.321 115.700 0.161 0.000 2.560 450 S HA 0.028 5.177 4.470 1.132 0.000 0.284 450 S C 0.467 175.026 174.600 -0.067 0.000 1.327 450 S CA -0.384 57.840 58.200 0.040 0.000 1.055 450 S CB 0.460 63.685 63.200 0.042 0.000 0.868 450 S HN 0.748 nan 8.310 nan 0.000 0.506 451 K N 2.121 122.424 120.400 -0.162 0.000 2.444 451 K HA 0.121 5.120 4.320 1.132 0.000 0.193 451 K C -0.159 176.385 176.600 -0.094 0.000 1.024 451 K CA -0.131 56.086 56.287 -0.116 0.000 1.077 451 K CB 0.082 32.496 32.500 -0.143 0.000 0.833 451 K HN 0.514 nan 8.250 nan 0.000 0.517 452 K N 0.678 121.022 120.400 -0.092 0.000 3.150 452 K HA -0.187 4.812 4.320 1.132 0.000 0.267 452 K C -0.664 175.913 176.600 -0.037 0.000 1.028 452 K CA 0.812 57.068 56.287 -0.052 0.000 0.753 452 K CB -2.230 30.250 32.500 -0.033 0.000 1.288 452 K HN 0.313 nan 8.250 nan 0.000 0.473 453 I N 1.638 122.193 120.570 -0.025 0.000 2.312 453 I HA 0.163 5.012 4.170 1.132 0.000 0.290 453 I C -1.760 174.415 176.117 0.097 0.000 1.008 453 I CA -2.247 59.052 61.300 -0.002 0.000 1.226 453 I CB 1.152 39.077 38.000 -0.126 0.000 1.371 453 I HN -0.151 nan 8.210 nan 0.000 0.468 454 P HA 0.018 nan 4.420 nan 0.000 0.265 454 P C -0.786 176.564 177.300 0.083 0.000 1.187 454 P CA -0.217 62.908 63.100 0.041 0.000 0.766 454 P CB 0.519 32.231 31.700 0.018 0.000 0.820 455 L N 2.768 123.996 121.223 0.007 0.000 2.322 455 L HA 0.631 5.650 4.340 1.132 0.000 0.279 455 L C 0.651 177.516 176.870 -0.008 0.000 1.036 455 L CA -0.112 54.712 54.840 -0.027 0.000 0.807 455 L CB 0.929 42.887 42.059 -0.170 0.000 1.226 455 L HN 0.467 nan 8.230 nan 0.000 0.433 456 G N 2.235 111.043 108.800 0.012 0.000 2.599 456 G HA2 0.474 5.113 3.960 1.132 0.000 0.264 456 G HA3 0.474 5.113 3.960 1.132 0.000 0.264 456 G C -0.035 174.865 174.900 0.001 0.000 1.200 456 G CA -0.191 44.917 45.100 0.014 0.000 0.896 456 G HN 0.944 nan 8.290 nan 0.000 0.536 457 G N -1.523 107.280 108.800 0.006 0.000 2.606 457 G HA2 0.521 5.160 3.960 1.132 0.000 0.252 457 G HA3 0.521 5.160 3.960 1.132 0.000 0.252 457 G C 0.018 174.923 174.900 0.009 0.000 1.206 457 G CA 0.145 45.248 45.100 0.004 0.000 0.861 457 G HN 0.998 nan 8.290 nan 0.000 0.561 458 I N 0.000 120.574 120.570 0.007 0.000 2.984 458 I HA 0.000 4.849 4.170 1.132 0.000 0.288 458 I CA 0.000 61.308 61.300 0.013 0.000 1.566 458 I CB 0.000 38.015 38.000 0.026 0.000 1.214 458 I HN 0.000 nan 8.210 nan 0.000 0.494