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 2w6i_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.862 174.700 0.270 0.000 1.109 9 T CA 0.000 62.177 62.100 0.128 0.000 1.349 9 T CB 0.000 68.901 68.868 0.055 0.000 0.612 10 T N 1.293 116.030 114.554 0.306 0.000 2.840 10 T HA 0.770 5.120 4.350 0.000 0.000 0.287 10 T C 0.415 175.083 174.700 -0.053 0.000 0.991 10 T CA -0.430 61.770 62.100 0.166 0.000 0.964 10 T CB 1.415 70.313 68.868 0.050 0.000 0.954 10 T HN 1.138 nan 8.240 nan 0.000 0.438 11 G N 1.988 110.431 108.800 -0.595 0.000 2.667 11 G HA2 0.788 4.748 3.960 0.000 0.000 0.310 11 G HA3 0.788 4.748 3.960 0.000 0.000 0.310 11 G C -0.914 173.649 174.900 -0.561 0.000 1.259 11 G CA -1.021 43.341 45.100 -1.230 0.000 1.019 11 G HN 0.612 nan 8.290 nan 0.000 0.496 12 R N -1.032 119.205 120.500 -0.438 0.000 2.803 12 R HA 0.461 4.801 4.340 0.000 0.000 0.276 12 R C -0.624 175.556 176.300 -0.199 0.000 0.978 12 R CA -0.858 55.100 56.100 -0.237 0.000 0.939 12 R CB 2.436 32.642 30.300 -0.158 0.000 1.179 12 R HN 0.343 nan 8.270 nan 0.000 0.472 13 I N 2.392 122.885 120.570 -0.129 0.000 2.441 13 I HA -0.005 4.165 4.170 0.000 0.000 0.287 13 I C 1.417 177.492 176.117 -0.071 0.000 1.049 13 I CA -0.034 61.212 61.300 -0.090 0.000 1.381 13 I CB 1.379 39.343 38.000 -0.061 0.000 1.409 13 I HN 0.561 nan 8.210 nan 0.000 0.523 14 V N 2.973 122.853 119.914 -0.058 0.000 3.570 14 V HA 0.571 4.691 4.120 0.000 0.000 0.257 14 V C 0.554 176.631 176.094 -0.029 0.000 1.272 14 V CA 0.330 62.604 62.300 -0.044 0.000 1.079 14 V CB 0.337 32.135 31.823 -0.042 0.000 0.829 14 V HN 0.701 nan 8.190 nan 0.000 0.454 15 A N -0.053 122.753 122.820 -0.024 0.000 2.517 15 A HA 0.805 5.125 4.320 0.000 0.000 0.297 15 A C -1.234 176.342 177.584 -0.013 0.000 1.050 15 A CA -0.375 51.653 52.037 -0.016 0.000 0.694 15 A CB 2.179 21.173 19.000 -0.011 0.000 1.277 15 A HN 0.561 nan 8.150 nan 0.000 0.400 16 V N 2.569 122.477 119.914 -0.011 0.000 2.483 16 V HA 0.579 4.699 4.120 0.000 0.000 0.297 16 V C -0.662 175.429 176.094 -0.006 0.000 1.027 16 V CA -0.126 62.169 62.300 -0.008 0.000 0.855 16 V CB 1.353 33.171 31.823 -0.009 0.000 0.995 16 V HN 0.726 nan 8.190 nan 0.000 0.424 17 I N 4.415 124.982 120.570 -0.004 0.000 2.595 17 I HA 0.584 4.754 4.170 0.000 0.000 0.276 17 I C 0.806 176.920 176.117 -0.004 0.000 1.109 17 I CA 0.029 61.327 61.300 -0.004 0.000 1.084 17 I CB 1.328 39.326 38.000 -0.004 0.000 1.206 17 I HN 0.906 nan 8.210 nan 0.000 0.486 18 G N 4.130 112.928 108.800 -0.004 0.000 2.528 18 G HA2 -0.297 3.663 3.960 0.000 0.000 0.262 18 G HA3 -0.297 3.663 3.960 0.000 0.000 0.262 18 G C 0.798 175.697 174.900 -0.002 0.000 1.200 18 G CA 0.314 45.411 45.100 -0.004 0.000 0.951 18 G HN 0.804 nan 8.290 nan 0.000 0.566 19 A N -0.758 122.060 122.820 -0.003 0.000 2.239 19 A HA 0.513 4.833 4.320 0.000 0.000 0.209 19 A C 1.091 178.676 177.584 0.003 0.000 1.171 19 A CA 1.832 53.869 52.037 -0.001 0.000 0.768 19 A CB -0.155 18.843 19.000 -0.004 0.000 0.790 19 A HN 1.533 nan 8.150 nan 0.000 0.478 20 V N 0.811 120.726 119.914 0.002 0.000 2.394 20 V HA 0.419 4.539 4.120 0.000 0.000 0.282 20 V C -0.502 175.596 176.094 0.006 0.000 1.031 20 V CA -0.439 61.864 62.300 0.005 0.000 0.881 20 V CB 1.381 33.206 31.823 0.003 0.000 0.982 20 V HN 0.068 nan 8.190 nan 0.000 0.451 21 V N 3.789 123.709 119.914 0.011 0.000 2.588 21 V HA 0.479 4.599 4.120 0.000 0.000 0.304 21 V C -0.769 175.332 176.094 0.013 0.000 1.042 21 V CA -0.777 61.527 62.300 0.007 0.000 0.877 21 V CB 2.129 33.956 31.823 0.006 0.000 0.996 21 V HN 0.791 nan 8.190 nan 0.000 0.425 22 D N 2.877 123.279 120.400 0.004 0.000 2.177 22 D HA 0.606 5.246 4.640 0.000 0.000 0.247 22 D C -0.593 175.700 176.300 -0.012 0.000 1.063 22 D CA -0.021 53.984 54.000 0.008 0.000 0.867 22 D CB 2.380 43.183 40.800 0.004 0.000 1.168 22 D HN 0.262 nan 8.370 nan 0.000 0.445 23 V N 2.153 122.066 119.914 -0.002 0.000 2.735 23 V HA 0.302 4.422 4.120 0.000 0.000 0.310 23 V C -0.166 175.880 176.094 -0.081 0.000 1.061 23 V CA -0.850 61.403 62.300 -0.078 0.000 0.913 23 V CB 2.171 33.942 31.823 -0.087 0.000 1.005 23 V HN 0.385 nan 8.190 nan 0.000 0.428 24 Q N 2.680 122.370 119.800 -0.183 0.000 2.347 24 Q HA 0.545 4.885 4.340 0.000 0.000 0.262 24 Q C -1.757 174.101 176.000 -0.238 0.000 0.980 24 Q CA -0.409 55.320 55.803 -0.123 0.000 0.867 24 Q CB 1.244 29.930 28.738 -0.087 0.000 1.242 24 Q HN 0.650 nan 8.270 nan 0.000 0.453 25 F N 1.927 121.851 119.950 -0.045 0.000 2.399 25 F HA 0.208 4.735 4.527 -0.000 0.000 0.334 25 F C 1.133 176.910 175.800 -0.038 0.000 1.097 25 F CA -0.342 57.634 58.000 -0.040 0.000 1.076 25 F CB 1.350 40.321 39.000 -0.048 0.000 1.162 25 F HN 0.592 nan 8.300 nan 0.000 0.495 26 D N 1.243 121.719 120.400 0.127 0.000 2.162 26 D HA -0.037 4.603 4.640 0.000 0.000 0.205 26 D C 0.010 176.352 176.300 0.070 0.000 0.964 26 D CA 1.121 55.161 54.000 0.065 0.000 0.847 26 D CB 0.238 41.058 40.800 0.034 0.000 0.988 26 D HN 0.661 nan 8.370 nan 0.000 0.480 27 E N -0.723 119.534 120.200 0.095 0.000 2.293 27 E HA 0.535 4.885 4.350 0.000 0.000 0.270 27 E C -0.165 176.463 176.600 0.047 0.000 0.879 27 E CA -1.241 55.192 56.400 0.054 0.000 0.756 27 E CB 2.077 31.800 29.700 0.039 0.000 1.208 27 E HN 0.000 nan 8.360 nan 0.000 0.428 28 G N 1.879 110.672 108.800 -0.011 0.000 2.686 28 G HA2 -0.206 3.754 3.960 0.000 0.000 0.211 28 G HA3 -0.206 3.754 3.960 0.000 0.000 0.211 28 G C -0.864 173.907 174.900 -0.215 0.000 0.829 28 G CA -0.435 44.617 45.100 -0.080 0.000 0.993 28 G HN 0.371 nan 8.290 nan 0.000 0.330 29 L N 5.869 126.959 121.223 -0.221 0.000 2.278 29 L HA 0.489 4.829 4.340 0.000 0.000 0.287 29 L C -1.206 175.466 176.870 -0.330 0.000 1.072 29 L CA -1.910 52.723 54.840 -0.346 0.000 0.819 29 L CB 0.771 42.665 42.059 -0.274 0.000 1.176 29 L HN 0.398 nan 8.230 nan 0.000 0.435 30 P HA 0.154 nan 4.420 nan 0.000 0.267 30 P C -2.629 174.668 177.300 -0.005 0.000 1.205 30 P CA -1.069 61.863 63.100 -0.280 0.000 0.765 30 P CB -0.184 31.303 31.700 -0.355 0.000 0.828 31 P HA 0.124 nan 4.420 nan 0.000 0.271 31 P C 0.479 177.770 177.300 -0.015 0.000 1.233 31 P CA -0.056 63.058 63.100 0.024 0.000 0.789 31 P CB 0.585 32.264 31.700 -0.035 0.000 0.951 32 I N 1.829 122.313 120.570 -0.143 0.000 2.692 32 I HA -0.077 4.093 4.170 0.000 0.000 0.284 32 I C 1.549 177.592 176.117 -0.124 0.000 1.159 32 I CA 0.540 61.754 61.300 -0.144 0.000 1.423 32 I CB -0.222 37.644 38.000 -0.224 0.000 1.380 32 I HN 0.425 nan 8.210 nan 0.000 0.580 33 L N 1.961 123.112 121.223 -0.119 0.000 3.271 33 L HA -0.238 4.102 4.340 0.000 0.000 0.429 33 L C 0.308 177.144 176.870 -0.056 0.000 0.724 33 L CA 0.140 54.877 54.840 -0.171 0.000 2.742 33 L CB -1.451 40.416 42.059 -0.320 0.000 0.986 33 L HN 0.668 nan 8.230 nan 0.000 0.656 34 N N 1.182 119.864 118.700 -0.030 0.000 2.441 34 N HA 0.429 5.169 4.740 0.000 0.000 0.251 34 N C 0.209 175.736 175.510 0.028 0.000 1.242 34 N CA 1.061 54.111 53.050 -0.001 0.000 0.898 34 N CB 0.790 39.265 38.487 -0.020 0.000 1.100 34 N HN 0.335 nan 8.380 nan 0.000 0.443 35 A N 2.386 125.229 122.820 0.038 0.000 2.305 35 A HA 0.651 4.971 4.320 0.000 0.000 0.322 35 A C -0.569 177.047 177.584 0.053 0.000 1.187 35 A CA -0.616 51.452 52.037 0.052 0.000 0.825 35 A CB 0.319 19.349 19.000 0.052 0.000 1.164 35 A HN 0.600 nan 8.150 nan 0.000 0.498 36 L N 1.731 122.997 121.223 0.072 0.000 2.342 36 L HA 0.562 4.902 4.340 0.000 0.000 0.271 36 L C -0.305 176.605 176.870 0.068 0.000 1.008 36 L CA -0.773 54.124 54.840 0.095 0.000 0.818 36 L CB 1.823 43.974 42.059 0.154 0.000 1.296 36 L HN 0.655 nan 8.230 nan 0.000 0.427 37 E N 2.003 122.239 120.200 0.059 0.000 2.171 37 E HA 0.360 4.710 4.350 0.000 0.000 0.271 37 E C -0.960 175.657 176.600 0.029 0.000 0.916 37 E CA -0.775 55.647 56.400 0.036 0.000 0.774 37 E CB 3.007 32.722 29.700 0.024 0.000 1.128 37 E HN 0.198 nan 8.360 nan 0.000 0.403 38 V N 3.964 123.889 119.914 0.018 0.000 2.508 38 V HA -0.020 4.100 4.120 0.000 0.000 0.281 38 V C 0.589 176.683 176.094 0.001 0.000 1.041 38 V CA -0.259 62.044 62.300 0.005 0.000 1.016 38 V CB 0.790 32.614 31.823 0.001 0.000 0.984 38 V HN 0.513 nan 8.190 nan 0.000 0.478 39 Q N 2.740 122.536 119.800 -0.006 0.000 2.306 39 Q HA 0.424 4.764 4.340 0.000 0.000 0.241 39 Q C 1.100 177.095 176.000 -0.009 0.000 0.948 39 Q CA 0.439 56.239 55.803 -0.006 0.000 0.886 39 Q CB 1.193 29.925 28.738 -0.009 0.000 1.227 39 Q HN 1.140 nan 8.270 nan 0.000 0.457 40 G N 1.651 110.447 108.800 -0.007 0.000 2.171 40 G HA2 -0.251 3.709 3.960 0.000 0.000 0.238 40 G HA3 -0.251 3.709 3.960 0.000 0.000 0.238 40 G C -0.148 174.749 174.900 -0.005 0.000 1.039 40 G CA -0.060 45.036 45.100 -0.007 0.000 0.759 40 G HN 0.423 nan 8.290 nan 0.000 0.501 41 R N -0.661 119.837 120.500 -0.003 0.000 2.621 41 R HA 0.387 4.727 4.340 0.000 0.000 0.292 41 R C 0.750 177.050 176.300 -0.001 0.000 0.969 41 R CA -0.996 55.102 56.100 -0.002 0.000 0.887 41 R CB 1.163 31.462 30.300 -0.001 0.000 1.180 41 R HN 0.029 nan 8.270 nan 0.000 0.450 42 E N 0.713 120.912 120.200 -0.000 0.000 2.130 42 E HA -0.117 4.233 4.350 0.000 0.000 0.196 42 E C 0.670 177.270 176.600 0.001 0.000 0.998 42 E CA 1.572 57.973 56.400 0.000 0.000 0.806 42 E CB 0.083 29.783 29.700 0.000 0.000 0.738 42 E HN 0.679 nan 8.360 nan 0.000 0.459 43 T N -2.178 112.378 114.554 0.002 0.000 2.932 43 T HA 0.475 4.825 4.350 0.000 0.000 0.289 43 T C 0.063 174.766 174.700 0.005 0.000 1.039 43 T CA -0.984 61.118 62.100 0.004 0.000 1.024 43 T CB 2.349 71.220 68.868 0.004 0.000 1.090 43 T HN -0.099 nan 8.240 nan 0.000 0.496 44 R N 1.232 121.736 120.500 0.007 0.000 2.399 44 R HA 0.308 4.648 4.340 0.000 0.000 0.324 44 R C -0.993 175.314 176.300 0.011 0.000 1.030 44 R CA -0.549 55.556 56.100 0.008 0.000 0.984 44 R CB -0.260 30.046 30.300 0.009 0.000 0.961 44 R HN 0.536 nan 8.270 nan 0.000 0.433 45 L N 6.348 127.578 121.223 0.011 0.000 2.280 45 L HA 0.352 4.692 4.340 0.000 0.000 0.287 45 L C -1.185 175.697 176.870 0.020 0.000 1.023 45 L CA -0.495 54.354 54.840 0.014 0.000 0.819 45 L CB 1.779 43.844 42.059 0.011 0.000 1.212 45 L HN 0.334 nan 8.230 nan 0.000 0.420 46 V N 6.335 126.264 119.914 0.025 0.000 2.472 46 V HA 0.477 4.597 4.120 0.000 0.000 0.290 46 V C -0.021 176.096 176.094 0.038 0.000 1.037 46 V CA -0.623 61.697 62.300 0.033 0.000 0.908 46 V CB 1.671 33.515 31.823 0.034 0.000 0.985 46 V HN 0.577 nan 8.190 nan 0.000 0.454 47 L N 3.934 125.185 121.223 0.047 0.000 2.305 47 L HA 0.576 4.916 4.340 0.000 0.000 0.284 47 L C 0.028 176.935 176.870 0.062 0.000 1.013 47 L CA -0.308 54.563 54.840 0.051 0.000 0.819 47 L CB 1.732 43.825 42.059 0.056 0.000 1.227 47 L HN 0.652 nan 8.230 nan 0.000 0.417 48 E N 2.519 122.755 120.200 0.060 0.000 2.200 48 E HA 0.304 4.654 4.350 0.000 0.000 0.283 48 E C -0.862 175.770 176.600 0.053 0.000 1.015 48 E CA -0.769 55.670 56.400 0.064 0.000 0.819 48 E CB 1.752 31.502 29.700 0.083 0.000 1.081 48 E HN 0.327 nan 8.360 nan 0.000 0.397 49 V N 4.290 124.233 119.914 0.050 0.000 2.529 49 V HA 0.033 4.153 4.120 0.000 0.000 0.292 49 V C 0.934 177.043 176.094 0.024 0.000 1.028 49 V CA 0.916 63.250 62.300 0.058 0.000 1.074 49 V CB 0.793 32.657 31.823 0.070 0.000 0.958 49 V HN 0.887 nan 8.190 nan 0.000 0.481 50 A N 4.283 127.125 122.820 0.037 0.000 2.013 50 A HA 0.335 4.655 4.320 0.000 0.000 0.204 50 A C 0.727 178.315 177.584 0.006 0.000 1.262 50 A CA 0.301 52.343 52.037 0.010 0.000 0.800 50 A CB 0.350 19.360 19.000 0.017 0.000 0.909 50 A HN 0.772 nan 8.150 nan 0.000 0.472 51 Q N -1.487 118.345 119.800 0.053 0.000 2.534 51 Q HA 0.362 4.702 4.340 0.000 0.000 0.290 51 Q C -1.658 174.463 176.000 0.201 0.000 0.991 51 Q CA -0.587 55.255 55.803 0.066 0.000 0.783 51 Q CB 1.772 30.541 28.738 0.050 0.000 1.470 51 Q HN 0.595 nan 8.270 nan 0.000 0.406 52 H N 1.809 120.881 119.070 0.003 0.000 2.661 52 H HA 0.241 4.797 4.556 -0.000 0.000 0.290 52 H C 0.534 175.869 175.328 0.011 0.000 1.082 52 H CA -0.235 55.819 56.048 0.009 0.000 1.234 52 H CB 0.770 30.532 29.762 -0.001 0.000 1.387 52 H HN 0.432 nan 8.280 nan 0.000 0.476 53 L N 2.712 123.997 121.223 0.102 0.000 2.291 53 L HA 0.113 4.453 4.340 0.000 0.000 0.214 53 L C 1.211 178.105 176.870 0.041 0.000 1.120 53 L CA 0.654 55.529 54.840 0.058 0.000 0.799 53 L CB -0.093 41.989 42.059 0.039 0.000 0.925 53 L HN 0.805 nan 8.230 nan 0.000 0.446 54 G N 0.024 108.841 108.800 0.028 0.000 2.629 54 G HA2 -0.123 3.837 3.960 0.000 0.000 0.686 54 G HA3 -0.123 3.837 3.960 0.000 0.000 0.686 54 G C 0.001 174.899 174.900 -0.004 0.000 1.232 54 G CA -0.362 44.745 45.100 0.011 0.000 0.803 54 G HN 0.282 nan 8.290 nan 0.000 0.638 55 E N -0.912 119.283 120.200 -0.008 0.000 2.759 55 E HA -0.212 4.138 4.350 0.000 0.000 0.280 55 E C 0.909 177.502 176.600 -0.010 0.000 1.009 55 E CA 0.976 57.372 56.400 -0.007 0.000 0.849 55 E CB -1.687 28.011 29.700 -0.002 0.000 1.415 55 E HN 2.159 nan 8.360 nan 0.000 0.412 56 S N -1.529 114.155 115.700 -0.028 0.000 3.631 56 S HA -0.217 4.253 4.470 0.000 0.000 0.366 56 S C -0.056 174.550 174.600 0.010 0.000 0.993 56 S CA 1.425 59.610 58.200 -0.025 0.000 1.167 56 S CB -1.119 62.087 63.200 0.010 0.000 0.909 56 S HN 0.398 nan 8.310 nan 0.000 0.478 57 T N 1.313 115.860 114.554 -0.011 0.000 2.881 57 T HA 0.624 4.974 4.350 0.000 0.000 0.290 57 T C 0.127 174.840 174.700 0.021 0.000 1.000 57 T CA -0.392 61.719 62.100 0.019 0.000 0.978 57 T CB 1.846 70.719 68.868 0.008 0.000 0.997 57 T HN 0.660 nan 8.240 nan 0.000 0.443 58 V N 1.633 121.592 119.914 0.076 0.000 2.581 58 V HA 0.770 4.891 4.120 0.000 0.000 0.303 58 V C -0.219 175.933 176.094 0.096 0.000 1.041 58 V CA -1.331 61.034 62.300 0.108 0.000 0.907 58 V CB 1.648 33.570 31.823 0.165 0.000 0.994 58 V HN 0.850 nan 8.190 nan 0.000 0.442 59 R N 2.594 123.148 120.500 0.091 0.000 2.312 59 R HA 0.743 5.083 4.340 0.000 0.000 0.311 59 R C -0.103 176.235 176.300 0.064 0.000 1.004 59 R CA 0.377 56.514 56.100 0.061 0.000 0.902 59 R CB 1.467 31.794 30.300 0.045 0.000 1.073 59 R HN 1.174 nan 8.270 nan 0.000 0.457 60 T N 2.088 116.674 114.554 0.052 0.000 2.901 60 T HA 0.510 4.860 4.350 0.000 0.000 0.293 60 T C 0.047 174.767 174.700 0.034 0.000 1.084 60 T CA -1.059 61.071 62.100 0.050 0.000 1.008 60 T CB 1.071 69.978 68.868 0.065 0.000 1.170 60 T HN 0.581 nan 8.240 nan 0.000 0.509 61 I N 0.384 120.974 120.570 0.033 0.000 2.339 61 I HA 0.772 4.942 4.170 0.000 0.000 0.290 61 I C 0.358 176.492 176.117 0.028 0.000 0.994 61 I CA -1.379 59.935 61.300 0.025 0.000 1.191 61 I CB 1.077 39.088 38.000 0.020 0.000 1.343 61 I HN 0.881 nan 8.210 nan 0.000 0.458 62 A N 7.040 129.872 122.820 0.021 0.000 2.477 62 A HA 0.370 4.690 4.320 0.000 0.000 0.246 62 A C 0.836 178.433 177.584 0.022 0.000 1.078 62 A CA -0.311 51.739 52.037 0.021 0.000 0.770 62 A CB 0.412 19.420 19.000 0.013 0.000 1.011 62 A HN 0.846 nan 8.150 nan 0.000 0.494 63 M N 1.181 120.796 119.600 0.025 0.000 2.563 63 M HA 0.194 4.674 4.480 0.000 0.000 0.231 63 M C -0.021 176.290 176.300 0.019 0.000 1.136 63 M CA 0.497 55.812 55.300 0.025 0.000 1.026 63 M CB -1.319 31.299 32.600 0.030 0.000 1.597 63 M HN 0.833 nan 8.290 nan 0.000 0.495 64 D N -1.435 118.974 120.400 0.015 0.000 2.865 64 D HA 0.387 5.027 4.640 0.000 0.000 0.343 64 D C -0.529 175.776 176.300 0.009 0.000 1.372 64 D CA -0.211 53.796 54.000 0.012 0.000 0.862 64 D CB 0.596 41.404 40.800 0.012 0.000 1.425 64 D HN 0.102 nan 8.370 nan 0.000 0.501 65 G N -0.681 108.123 108.800 0.007 0.000 2.391 65 G HA2 0.329 4.289 3.960 0.000 0.000 0.234 65 G HA3 0.329 4.289 3.960 0.000 0.000 0.234 65 G C 0.832 175.734 174.900 0.003 0.000 1.284 65 G CA 0.755 45.857 45.100 0.004 0.000 0.873 65 G HN 0.415 nan 8.290 nan 0.000 0.549 66 T N -0.938 113.617 114.554 0.002 0.000 3.105 66 T HA 0.209 4.559 4.350 0.000 0.000 0.253 66 T C 0.343 175.042 174.700 -0.002 0.000 1.047 66 T CA -0.290 61.810 62.100 0.000 0.000 0.944 66 T CB 0.096 68.963 68.868 -0.001 0.000 1.016 66 T HN 0.514 nan 8.240 nan 0.000 0.544 67 E N 1.550 121.749 120.200 -0.001 0.000 2.415 67 E HA 0.469 4.819 4.350 0.000 0.000 0.262 67 E C 1.434 178.032 176.600 -0.003 0.000 1.038 67 E CA 0.499 56.897 56.400 -0.002 0.000 0.921 67 E CB -0.367 29.332 29.700 -0.001 0.000 0.950 67 E HN 0.272 nan 8.360 nan 0.000 0.438 68 G N 1.336 110.133 108.800 -0.004 0.000 2.184 68 G HA2 -0.317 3.643 3.960 0.000 0.000 0.264 68 G HA3 -0.317 3.643 3.960 0.000 0.000 0.264 68 G C 0.103 174.998 174.900 -0.007 0.000 0.975 68 G CA 0.235 45.332 45.100 -0.005 0.000 0.642 68 G HN 0.373 nan 8.290 nan 0.000 0.536 69 L N 0.106 121.324 121.223 -0.008 0.000 2.452 69 L HA 0.555 4.895 4.340 0.000 0.000 0.267 69 L C 0.675 177.536 176.870 -0.014 0.000 1.188 69 L CA -0.533 54.300 54.840 -0.011 0.000 0.821 69 L CB 1.210 43.262 42.059 -0.011 0.000 1.102 69 L HN -0.003 nan 8.230 nan 0.000 0.470 70 V N 1.707 121.611 119.914 -0.018 0.000 2.823 70 V HA 0.392 4.512 4.120 0.000 0.000 0.312 70 V C -0.038 176.041 176.094 -0.025 0.000 1.072 70 V CA -0.969 61.320 62.300 -0.019 0.000 0.937 70 V CB 1.958 33.770 31.823 -0.018 0.000 1.013 70 V HN 0.633 nan 8.190 nan 0.000 0.430 71 R N 1.669 122.154 120.500 -0.024 0.000 2.522 71 R HA 0.422 4.762 4.340 0.000 0.000 0.284 71 R C 1.304 177.583 176.300 -0.035 0.000 1.032 71 R CA 1.299 57.381 56.100 -0.030 0.000 1.049 71 R CB 0.265 30.550 30.300 -0.025 0.000 0.956 71 R HN 1.220 nan 8.270 nan 0.000 0.422 72 G N 1.646 110.418 108.800 -0.047 0.000 2.234 72 G HA2 -0.319 3.641 3.960 0.000 0.000 0.235 72 G HA3 -0.319 3.641 3.960 0.000 0.000 0.235 72 G C 0.225 175.091 174.900 -0.057 0.000 0.997 72 G CA -0.019 45.050 45.100 -0.051 0.000 0.623 72 G HN 0.596 nan 8.290 nan 0.000 0.514 73 Q N 1.052 120.821 119.800 -0.051 0.000 2.369 73 Q HA 0.359 4.699 4.340 0.000 0.000 0.295 73 Q C 0.444 176.403 176.000 -0.068 0.000 1.075 73 Q CA 0.516 56.290 55.803 -0.049 0.000 0.941 73 Q CB 0.286 29.001 28.738 -0.037 0.000 1.260 73 Q HN 0.459 nan 8.270 nan 0.000 0.417 74 K N 1.222 121.587 120.400 -0.059 0.000 2.185 74 K HA 0.427 4.747 4.320 0.000 0.000 0.271 74 K C -1.284 175.276 176.600 -0.066 0.000 1.013 74 K CA -0.441 55.803 56.287 -0.072 0.000 0.943 74 K CB 1.276 33.747 32.500 -0.048 0.000 0.998 74 K HN 0.316 nan 8.250 nan 0.000 0.468 75 V N 4.217 124.077 119.914 -0.090 0.000 2.655 75 V HA 0.256 4.376 4.120 0.000 0.000 0.301 75 V C -0.939 175.170 176.094 0.026 0.000 1.082 75 V CA -0.810 61.463 62.300 -0.046 0.000 0.899 75 V CB 1.629 33.399 31.823 -0.088 0.000 1.014 75 V HN 0.601 nan 8.190 nan 0.000 0.429 76 L N 3.541 124.816 121.223 0.086 0.000 2.275 76 L HA 0.485 4.825 4.340 0.000 0.000 0.288 76 L C -0.007 176.973 176.870 0.184 0.000 1.046 76 L CA -0.526 54.398 54.840 0.141 0.000 0.805 76 L CB 1.492 43.594 42.059 0.072 0.000 1.193 76 L HN 0.657 nan 8.230 nan 0.000 0.426 77 D N 1.521 122.054 120.400 0.223 0.000 2.401 77 D HA -0.048 4.592 4.640 0.000 0.000 0.254 77 D C 1.190 177.511 176.300 0.035 0.000 1.192 77 D CA 0.029 54.079 54.000 0.085 0.000 0.885 77 D CB 1.307 42.043 40.800 -0.107 0.000 1.147 77 D HN 0.522 nan 8.370 nan 0.000 0.478 78 S N 2.988 118.705 115.700 0.028 0.000 2.547 78 S HA 0.052 4.522 4.470 0.000 0.000 0.235 78 S C 1.772 176.366 174.600 -0.010 0.000 0.980 78 S CA 0.580 58.785 58.200 0.007 0.000 0.941 78 S CB -0.586 62.619 63.200 0.007 0.000 0.763 78 S HN 1.067 nan 8.310 nan 0.000 0.532 79 G N -0.000 108.787 108.800 -0.022 0.000 2.148 79 G HA2 0.074 4.034 3.960 0.000 0.000 0.254 79 G HA3 0.074 4.034 3.960 0.000 0.000 0.254 79 G C 0.174 175.061 174.900 -0.021 0.000 0.981 79 G CA -0.020 45.062 45.100 -0.030 0.000 0.670 79 G HN 1.745 nan 8.290 nan 0.000 0.528 80 A N -1.067 121.748 122.820 -0.009 0.000 2.597 80 A HA 0.822 5.142 4.320 0.000 0.000 0.292 80 A C -2.863 174.735 177.584 0.023 0.000 1.057 80 A CA -0.435 51.604 52.037 0.003 0.000 0.674 80 A CB 1.182 20.185 19.000 0.004 0.000 1.278 80 A HN 0.235 nan 8.150 nan 0.000 0.416 81 P HA 0.275 nan 4.420 nan 0.000 0.271 81 P C -0.149 177.206 177.300 0.092 0.000 1.238 81 P CA 0.015 63.172 63.100 0.094 0.000 0.794 81 P CB 0.201 31.998 31.700 0.162 0.000 0.959 82 I N 1.143 121.781 120.570 0.113 0.000 2.821 82 I HA -0.087 4.083 4.170 0.000 0.000 0.294 82 I C 1.290 177.440 176.117 0.055 0.000 1.210 82 I CA 0.940 62.280 61.300 0.067 0.000 1.430 82 I CB -0.263 37.769 38.000 0.053 0.000 1.356 82 I HN 0.114 nan 8.210 nan 0.000 0.563 83 R N 7.546 128.083 120.500 0.062 0.000 2.494 83 R HA 0.680 5.020 4.340 0.000 0.000 0.305 83 R C -0.659 175.737 176.300 0.160 0.000 0.959 83 R CA -0.781 55.376 56.100 0.095 0.000 0.864 83 R CB 1.894 32.258 30.300 0.107 0.000 1.159 83 R HN 0.589 nan 8.270 nan 0.000 0.446 84 I N -0.948 119.699 120.570 0.128 0.000 2.846 84 I HA 0.593 4.763 4.170 0.000 0.000 0.307 84 I C -2.447 173.621 176.117 -0.082 0.000 1.053 84 I CA -3.396 57.967 61.300 0.106 0.000 1.050 84 I CB 2.124 40.111 38.000 -0.022 0.000 1.239 84 I HN 0.322 nan 8.210 nan 0.000 0.439 85 P HA 0.055 nan 4.420 nan 0.000 0.260 85 P C -0.396 176.561 177.300 -0.571 0.000 1.207 85 P CA 0.152 62.736 63.100 -0.859 0.000 0.780 85 P CB 0.478 31.878 31.700 -0.500 0.000 0.789 86 V N 1.272 120.800 119.914 -0.643 0.000 2.815 86 V HA 1.030 5.150 4.120 0.000 0.000 0.314 86 V C 0.210 175.761 176.094 -0.905 0.000 1.064 86 V CA -0.284 61.624 62.300 -0.653 0.000 0.952 86 V CB 1.521 33.013 31.823 -0.552 0.000 1.020 86 V HN 0.882 nan 8.190 nan 0.000 0.439 87 G N 3.010 111.110 108.800 -1.168 0.000 2.361 87 G HA2 0.215 4.175 3.960 0.000 0.000 0.331 87 G HA3 0.215 4.175 3.960 0.000 0.000 0.331 87 G C -2.700 172.050 174.900 -0.250 0.000 1.324 87 G CA 0.015 44.471 45.100 -1.073 0.000 0.984 87 G HN 0.605 nan 8.290 nan 0.000 0.586 88 P HA -0.006 nan 4.420 nan 0.000 0.220 88 P C 1.168 178.459 177.300 -0.015 0.000 1.148 88 P CA 1.562 64.699 63.100 0.062 0.000 0.803 88 P CB 0.038 31.755 31.700 0.029 0.000 0.782 89 E N 0.096 120.263 120.200 -0.054 0.000 2.485 89 E HA -0.034 4.316 4.350 0.000 0.000 0.194 89 E C 1.086 177.658 176.600 -0.047 0.000 1.098 89 E CA 0.867 57.239 56.400 -0.047 0.000 0.878 89 E CB -1.229 28.439 29.700 -0.053 0.000 0.939 89 E HN 0.365 nan 8.360 nan 0.000 0.503 90 T N -1.763 112.770 114.554 -0.035 0.000 3.051 90 T HA 0.135 4.485 4.350 0.000 0.000 0.255 90 T C 1.094 175.825 174.700 0.053 0.000 1.085 90 T CA -0.325 61.766 62.100 -0.015 0.000 1.109 90 T CB -0.254 68.585 68.868 -0.050 0.000 0.921 90 T HN 0.029 nan 8.240 nan 0.000 0.488 91 L N 2.067 123.327 121.223 0.062 0.000 2.525 91 L HA 0.412 4.752 4.340 0.000 0.000 0.278 91 L C 1.777 178.689 176.870 0.071 0.000 1.218 91 L CA 1.054 55.928 54.840 0.058 0.000 0.878 91 L CB -0.078 41.963 42.059 -0.029 0.000 1.127 91 L HN 0.549 nan 8.230 nan 0.000 0.492 92 G N 1.225 110.087 108.800 0.103 0.000 2.189 92 G HA2 -0.234 3.726 3.960 0.000 0.000 0.267 92 G HA3 -0.234 3.726 3.960 0.000 0.000 0.267 92 G C 0.427 175.411 174.900 0.141 0.000 0.975 92 G CA -0.112 45.061 45.100 0.120 0.000 0.644 92 G HN 0.455 nan 8.290 nan 0.000 0.537 93 R N -0.402 120.161 120.500 0.105 0.000 2.782 93 R HA 0.791 5.131 4.340 0.000 0.000 0.258 93 R C 0.247 176.580 176.300 0.055 0.000 1.055 93 R CA -1.079 55.065 56.100 0.073 0.000 1.065 93 R CB 0.770 31.092 30.300 0.036 0.000 1.172 93 R HN 0.279 nan 8.270 nan 0.000 0.510 94 I N 1.462 122.028 120.570 -0.007 0.000 2.418 94 I HA 0.414 4.584 4.170 0.000 0.000 0.287 94 I C -0.008 176.111 176.117 0.002 0.000 1.008 94 I CA -0.358 60.932 61.300 -0.016 0.000 1.104 94 I CB 1.617 39.514 38.000 -0.173 0.000 1.264 94 I HN 0.218 nan 8.210 nan 0.000 0.438 95 M N 4.245 123.868 119.600 0.038 0.000 2.724 95 M HA 0.434 4.914 4.480 0.000 0.000 0.310 95 M C -0.312 176.015 176.300 0.045 0.000 1.217 95 M CA -0.627 54.687 55.300 0.024 0.000 0.894 95 M CB 2.096 34.698 32.600 0.003 0.000 1.719 95 M HN 0.482 nan 8.290 nan 0.000 0.479 96 N N -0.433 118.285 118.700 0.030 0.000 2.405 96 N HA 0.285 5.025 4.740 0.000 0.000 0.269 96 N C 0.680 176.201 175.510 0.017 0.000 1.249 96 N CA -0.311 52.757 53.050 0.031 0.000 0.974 96 N CB 1.139 39.639 38.487 0.022 0.000 1.204 96 N HN 0.458 nan 8.380 nan 0.000 0.565 97 V N 0.452 120.376 119.914 0.018 0.000 2.427 97 V HA -0.151 3.969 4.120 0.000 0.000 0.248 97 V C 1.665 177.760 176.094 0.001 0.000 1.051 97 V CA 1.582 63.885 62.300 0.004 0.000 1.048 97 V CB -0.902 30.928 31.823 0.012 0.000 0.666 97 V HN 0.743 nan 8.190 nan 0.000 0.456 98 I N -0.939 119.640 120.570 0.015 0.000 3.806 98 I HA 0.610 4.780 4.170 0.000 0.000 0.321 98 I C 1.275 177.412 176.117 0.033 0.000 1.315 98 I CA 0.534 61.848 61.300 0.023 0.000 1.148 98 I CB -0.508 37.508 38.000 0.027 0.000 1.028 98 I HN 0.320 nan 8.210 nan 0.000 0.415 99 G N 1.181 109.995 108.800 0.023 0.000 2.147 99 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 99 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 99 G C -0.207 174.717 174.900 0.041 0.000 1.005 99 G CA 0.057 45.175 45.100 0.030 0.000 0.713 99 G HN 0.685 nan 8.290 nan 0.000 0.515 100 E N 0.981 121.200 120.200 0.031 0.000 2.204 100 E HA 0.421 4.771 4.350 0.000 0.000 0.276 100 E C -2.379 174.231 176.600 0.016 0.000 0.974 100 E CA -2.187 54.231 56.400 0.030 0.000 0.815 100 E CB 1.696 31.411 29.700 0.025 0.000 1.119 100 E HN 0.136 nan 8.360 nan 0.000 0.393 101 P HA 0.007 nan 4.420 nan 0.000 0.269 101 P C 0.154 177.449 177.300 -0.009 0.000 1.209 101 P CA 0.393 63.493 63.100 0.000 0.000 0.776 101 P CB 0.327 32.029 31.700 0.004 0.000 0.876 102 I N -1.475 119.076 120.570 -0.030 0.000 3.994 102 I HA 0.274 4.444 4.170 0.000 0.000 0.323 102 I C -0.010 176.054 176.117 -0.088 0.000 1.501 102 I CA -0.247 61.025 61.300 -0.046 0.000 1.112 102 I CB 0.233 38.210 38.000 -0.038 0.000 1.254 102 I HN 0.005 nan 8.210 nan 0.000 0.495 103 D N -0.115 120.235 120.400 -0.083 0.000 2.395 103 D HA 0.033 4.673 4.640 0.000 0.000 0.213 103 D C 0.518 176.805 176.300 -0.021 0.000 1.110 103 D CA -0.055 53.882 54.000 -0.104 0.000 0.835 103 D CB -0.033 40.685 40.800 -0.137 0.000 0.965 103 D HN 0.245 nan 8.370 nan 0.000 0.505 104 E N 0.004 120.198 120.200 -0.010 0.000 2.791 104 E HA -0.256 4.094 4.350 0.000 0.000 0.271 104 E C 0.231 176.846 176.600 0.024 0.000 1.044 104 E CA 0.401 56.807 56.400 0.010 0.000 0.814 104 E CB -1.641 28.070 29.700 0.018 0.000 1.400 104 E HN 0.567 nan 8.360 nan 0.000 0.423 105 R N 0.033 120.549 120.500 0.026 0.000 2.586 105 R HA 0.336 4.676 4.340 0.000 0.000 0.336 105 R C 0.947 177.263 176.300 0.027 0.000 1.060 105 R CA 0.437 56.558 56.100 0.035 0.000 1.079 105 R CB 0.955 31.285 30.300 0.051 0.000 1.317 105 R HN 0.287 nan 8.270 nan 0.000 0.568 106 G N 2.214 111.027 108.800 0.021 0.000 2.756 106 G HA2 -0.195 3.765 3.960 0.000 0.000 0.678 106 G HA3 -0.195 3.765 3.960 0.000 0.000 0.678 106 G C -2.578 172.335 174.900 0.021 0.000 1.349 106 G CA -1.275 43.837 45.100 0.021 0.000 0.847 106 G HN 0.004 nan 8.290 nan 0.000 0.548 107 P HA 0.317 nan 4.420 nan 0.000 0.270 107 P C 0.070 177.384 177.300 0.024 0.000 1.221 107 P CA 0.103 63.222 63.100 0.032 0.000 0.788 107 P CB 0.333 32.057 31.700 0.039 0.000 0.904 108 I N 1.463 122.049 120.570 0.025 0.000 2.371 108 I HA 0.177 4.347 4.170 0.000 0.000 0.282 108 I C 0.802 176.912 176.117 -0.012 0.000 1.031 108 I CA -0.367 60.927 61.300 -0.009 0.000 1.180 108 I CB 0.550 38.528 38.000 -0.038 0.000 1.336 108 I HN 0.013 nan 8.210 nan 0.000 0.467 109 K N 5.689 126.084 120.400 -0.010 0.000 2.187 109 K HA 0.182 4.502 4.320 0.000 0.000 0.242 109 K C 0.246 176.820 176.600 -0.044 0.000 1.179 109 K CA -0.244 56.045 56.287 0.003 0.000 1.097 109 K CB -0.173 32.338 32.500 0.018 0.000 1.634 109 K HN 0.593 nan 8.250 nan 0.000 0.335 110 T N -1.775 112.706 114.554 -0.122 0.000 2.913 110 T HA 0.198 4.548 4.350 0.000 0.000 0.287 110 T C 1.080 175.706 174.700 -0.124 0.000 1.008 110 T CA -0.860 61.106 62.100 -0.222 0.000 1.067 110 T CB 1.619 70.193 68.868 -0.490 0.000 0.996 110 T HN 0.289 nan 8.240 nan 0.000 0.513 111 K N 0.852 121.189 120.400 -0.106 0.000 2.103 111 K HA 0.005 4.325 4.320 0.000 0.000 0.204 111 K C 0.414 177.025 176.600 0.017 0.000 1.052 111 K CA 0.856 57.135 56.287 -0.014 0.000 0.945 111 K CB -0.098 32.403 32.500 0.003 0.000 0.722 111 K HN 0.606 nan 8.250 nan 0.000 0.443 112 Q N -0.425 119.315 119.800 -0.099 0.000 2.445 112 Q HA 0.532 4.872 4.340 0.000 0.000 0.281 112 Q C -1.035 174.772 176.000 -0.322 0.000 1.101 112 Q CA -0.662 55.116 55.803 -0.041 0.000 0.833 112 Q CB 1.041 29.762 28.738 -0.028 0.000 1.416 112 Q HN -0.063 nan 8.270 nan 0.000 0.451 113 F N -0.186 119.723 119.950 -0.068 0.000 2.565 113 F HA 0.829 5.356 4.527 -0.000 0.000 0.313 113 F C -0.586 175.180 175.800 -0.056 0.000 1.091 113 F CA -0.822 57.136 58.000 -0.070 0.000 0.915 113 F CB 2.246 41.218 39.000 -0.047 0.000 1.208 113 F HN 0.650 nan 8.300 nan 0.000 0.453 114 A N 1.521 124.376 122.820 0.059 0.000 2.386 114 A HA 0.885 5.205 4.320 0.000 0.000 0.311 114 A C -1.146 176.460 177.584 0.036 0.000 1.068 114 A CA -0.753 51.300 52.037 0.027 0.000 0.743 114 A CB 1.139 20.115 19.000 -0.039 0.000 1.258 114 A HN 0.968 nan 8.150 nan 0.000 0.429 115 A N 1.440 124.280 122.820 0.034 0.000 2.366 115 A HA 0.497 4.817 4.320 0.000 0.000 0.272 115 A C 1.068 178.644 177.584 -0.014 0.000 1.135 115 A CA -0.034 52.023 52.037 0.034 0.000 0.804 115 A CB -0.361 18.675 19.000 0.059 0.000 1.064 115 A HN 1.603 nan 8.150 nan 0.000 0.499 116 I N -0.397 120.134 120.570 -0.065 0.000 2.756 116 I HA -0.038 4.132 4.170 0.000 0.000 0.262 116 I C 0.168 176.117 176.117 -0.279 0.000 1.225 116 I CA 0.690 61.879 61.300 -0.185 0.000 1.472 116 I CB -0.364 37.495 38.000 -0.234 0.000 1.094 116 I HN 0.493 nan 8.210 nan 0.000 0.454 117 H N 2.390 121.450 119.070 -0.017 0.000 2.517 117 H HA 0.796 5.352 4.556 0.000 0.000 0.317 117 H C -0.385 174.931 175.328 -0.020 0.000 1.080 117 H CA -0.068 55.969 56.048 -0.018 0.000 1.301 117 H CB 1.606 31.363 29.762 -0.008 0.000 1.425 117 H HN 0.429 nan 8.280 nan 0.000 0.471 118 A N 3.150 126.016 122.820 0.077 0.000 2.612 118 A HA 0.333 4.653 4.320 0.000 0.000 0.293 118 A C -0.683 176.914 177.584 0.023 0.000 1.075 118 A CA -0.934 51.125 52.037 0.037 0.000 0.680 118 A CB 1.554 20.556 19.000 0.004 0.000 1.279 118 A HN 0.521 nan 8.150 nan 0.000 0.411 119 E N 0.630 120.840 120.200 0.015 0.000 2.383 119 E HA 0.485 4.835 4.350 0.000 0.000 0.264 119 E C 0.472 177.073 176.600 0.001 0.000 1.050 119 E CA 0.237 56.644 56.400 0.011 0.000 0.896 119 E CB 1.372 31.079 29.700 0.011 0.000 0.982 119 E HN 0.851 nan 8.360 nan 0.000 0.424 120 A N 3.786 126.607 122.820 0.002 0.000 2.322 120 A HA 0.425 4.745 4.320 0.000 0.000 0.269 120 A C -2.071 175.518 177.584 0.009 0.000 1.094 120 A CA -1.270 50.766 52.037 -0.003 0.000 0.807 120 A CB -0.367 18.631 19.000 -0.003 0.000 1.047 120 A HN 0.336 nan 8.150 nan 0.000 0.487 121 P HA 0.024 nan 4.420 nan 0.000 0.263 121 P C -0.069 177.252 177.300 0.035 0.000 1.175 121 P CA 0.354 63.460 63.100 0.010 0.000 0.761 121 P CB 0.364 32.064 31.700 -0.001 0.000 0.794 122 E N 1.383 121.607 120.200 0.040 0.000 2.392 122 E HA -0.001 4.349 4.350 0.000 0.000 0.256 122 E C 0.845 177.513 176.600 0.114 0.000 1.145 122 E CA -0.250 56.197 56.400 0.078 0.000 0.929 122 E CB 0.027 29.766 29.700 0.065 0.000 0.998 122 E HN 0.384 nan 8.360 nan 0.000 0.442 123 F N 1.847 121.798 119.950 0.000 0.000 2.126 123 F HA -0.201 4.326 4.527 0.000 0.000 0.299 123 F C 1.760 177.560 175.800 0.000 0.000 1.096 123 F CA 1.564 59.565 58.000 0.001 0.000 1.255 123 F CB -0.193 38.809 39.000 0.003 0.000 0.997 123 F HN 0.244 nan 8.300 nan 0.000 0.479 124 V N -2.147 117.745 119.914 -0.037 0.000 3.541 124 V HA -0.017 4.103 4.120 0.000 0.000 0.272 124 V C 1.155 177.176 176.094 -0.120 0.000 1.215 124 V CA 1.344 63.559 62.300 -0.142 0.000 1.176 124 V CB -1.062 30.743 31.823 -0.030 0.000 0.854 124 V HN 0.430 nan 8.190 nan 0.000 0.496 125 E N -0.235 119.908 120.200 -0.095 0.000 2.489 125 E HA 0.256 4.606 4.350 0.000 0.000 0.204 125 E C 0.566 177.114 176.600 -0.088 0.000 1.006 125 E CA -0.344 56.015 56.400 -0.068 0.000 0.936 125 E CB 0.194 29.875 29.700 -0.031 0.000 1.002 125 E HN 0.473 nan 8.360 nan 0.000 0.488 126 M N 0.729 120.245 119.600 -0.140 0.000 2.245 126 M HA 0.145 4.625 4.480 0.000 0.000 0.330 126 M C 0.437 176.665 176.300 -0.120 0.000 1.098 126 M CA 0.275 55.499 55.300 -0.126 0.000 1.172 126 M CB 0.897 33.400 32.600 -0.162 0.000 1.467 126 M HN -0.164 nan 8.290 nan 0.000 0.454 127 S N 0.528 116.181 115.700 -0.078 0.000 2.566 127 S HA 0.739 5.209 4.470 0.000 0.000 0.298 127 S C -0.103 174.469 174.600 -0.048 0.000 1.083 127 S CA -0.744 57.419 58.200 -0.061 0.000 0.978 127 S CB 1.260 64.436 63.200 -0.041 0.000 1.073 127 S HN 0.607 nan 8.310 nan 0.000 0.491 128 V N 0.304 120.194 119.914 -0.039 0.000 2.925 128 V HA 0.562 4.682 4.120 0.000 0.000 0.361 128 V C -0.301 175.785 176.094 -0.012 0.000 1.361 128 V CA -0.600 61.685 62.300 -0.024 0.000 1.184 128 V CB 0.175 31.982 31.823 -0.027 0.000 1.245 128 V HN 0.586 nan 8.190 nan 0.000 0.575 129 E N 2.027 122.220 120.200 -0.011 0.000 2.366 129 E HA 0.476 4.826 4.350 0.000 0.000 0.266 129 E C -0.346 176.257 176.600 0.005 0.000 1.051 129 E CA 0.175 56.574 56.400 -0.003 0.000 0.884 129 E CB 1.115 30.814 29.700 -0.002 0.000 1.006 129 E HN 0.659 nan 8.360 nan 0.000 0.417 130 Q N 2.038 121.846 119.800 0.012 0.000 2.695 130 Q HA 0.284 4.624 4.340 0.000 0.000 0.246 130 Q C -0.782 175.235 176.000 0.028 0.000 0.961 130 Q CA -0.188 55.627 55.803 0.020 0.000 0.708 130 Q CB 1.582 30.332 28.738 0.021 0.000 1.282 130 Q HN 0.366 nan 8.270 nan 0.000 0.482 131 E N 2.446 122.665 120.200 0.033 0.000 2.145 131 E HA 0.333 4.683 4.350 0.000 0.000 0.270 131 E C -0.441 176.192 176.600 0.056 0.000 0.906 131 E CA -0.608 55.816 56.400 0.041 0.000 0.761 131 E CB 2.206 31.929 29.700 0.037 0.000 1.116 131 E HN 0.517 nan 8.360 nan 0.000 0.408 132 I N 3.954 124.563 120.570 0.064 0.000 2.815 132 I HA -0.114 4.056 4.170 0.000 0.000 0.291 132 I C -0.523 175.644 176.117 0.084 0.000 1.209 132 I CA 0.298 61.646 61.300 0.081 0.000 1.431 132 I CB 0.415 38.471 38.000 0.093 0.000 1.351 132 I HN 0.459 nan 8.210 nan 0.000 0.585 133 L N 8.971 130.255 121.223 0.102 0.000 2.371 133 L HA 0.344 4.684 4.340 0.000 0.000 0.262 133 L C -0.602 176.317 176.870 0.080 0.000 1.054 133 L CA -0.411 54.490 54.840 0.102 0.000 0.924 133 L CB 0.841 42.983 42.059 0.138 0.000 1.295 133 L HN 0.354 nan 8.230 nan 0.000 0.441 134 V N 3.291 123.240 119.914 0.059 0.000 2.617 134 V HA 0.018 4.138 4.120 0.000 0.000 0.304 134 V C 1.588 177.689 176.094 0.012 0.000 1.040 134 V CA 1.152 63.470 62.300 0.031 0.000 1.149 134 V CB 0.778 32.622 31.823 0.035 0.000 0.914 134 V HN 0.910 nan 8.190 nan 0.000 0.487 135 T N 0.010 114.543 114.554 -0.036 0.000 2.990 135 T HA 0.337 4.687 4.350 0.000 0.000 0.249 135 T C 1.358 176.032 174.700 -0.043 0.000 1.039 135 T CA 0.837 62.910 62.100 -0.045 0.000 1.036 135 T CB 0.674 69.461 68.868 -0.136 0.000 0.994 135 T HN 1.554 nan 8.240 nan 0.000 0.489 136 G N 1.816 110.597 108.800 -0.032 0.000 2.176 136 G HA2 -0.145 3.815 3.960 0.000 0.000 0.232 136 G HA3 -0.145 3.815 3.960 0.000 0.000 0.232 136 G C 0.011 174.908 174.900 -0.006 0.000 0.986 136 G CA -0.033 45.056 45.100 -0.018 0.000 0.643 136 G HN 0.612 nan 8.290 nan 0.000 0.522 137 I N 1.512 122.074 120.570 -0.014 0.000 2.312 137 I HA 0.230 4.400 4.170 0.000 0.000 0.291 137 I C 1.585 177.725 176.117 0.038 0.000 1.031 137 I CA -0.387 60.945 61.300 0.054 0.000 1.293 137 I CB 1.043 39.080 38.000 0.062 0.000 1.403 137 I HN 0.059 nan 8.210 nan 0.000 0.484 138 K N 3.939 124.366 120.400 0.046 0.000 2.000 138 K HA -0.177 4.143 4.320 0.000 0.000 0.218 138 K C 1.863 178.501 176.600 0.063 0.000 1.053 138 K CA 1.841 58.161 56.287 0.055 0.000 0.946 138 K CB -0.190 32.317 32.500 0.011 0.000 0.723 138 K HN 0.583 nan 8.250 nan 0.000 0.446 139 V N 0.911 120.853 119.914 0.047 0.000 2.219 139 V HA -0.286 3.834 4.120 0.000 0.000 0.248 139 V C 2.393 178.487 176.094 -0.000 0.000 1.053 139 V CA 2.062 64.368 62.300 0.010 0.000 1.009 139 V CB -1.066 30.775 31.823 0.029 0.000 0.636 139 V HN 0.097 nan 8.190 nan 0.000 0.445 140 V N 0.724 120.634 119.914 -0.008 0.000 2.231 140 V HA -0.326 3.794 4.120 0.000 0.000 0.248 140 V C 2.489 178.539 176.094 -0.073 0.000 1.054 140 V CA 2.571 64.821 62.300 -0.083 0.000 1.015 140 V CB -0.951 30.699 31.823 -0.288 0.000 0.638 140 V HN 0.557 nan 8.190 nan 0.000 0.444 141 D N -0.292 120.071 120.400 -0.062 0.000 2.106 141 D HA -0.185 4.455 4.640 0.000 0.000 0.191 141 D C 2.003 178.397 176.300 0.157 0.000 0.997 141 D CA 1.560 55.574 54.000 0.023 0.000 0.834 141 D CB -0.465 40.344 40.800 0.015 0.000 0.956 141 D HN 0.324 nan 8.370 nan 0.000 0.448 142 L N 0.375 121.662 121.223 0.108 0.000 1.970 142 L HA -0.147 4.193 4.340 0.000 0.000 0.212 142 L C 2.203 179.166 176.870 0.155 0.000 1.071 142 L CA 1.689 56.618 54.840 0.148 0.000 0.751 142 L CB -0.438 41.610 42.059 -0.018 0.000 0.889 142 L HN 0.038 nan 8.230 nan 0.000 0.432 143 L N -1.597 119.637 121.223 0.018 0.000 2.357 143 L HA 0.274 4.614 4.340 0.000 0.000 0.211 143 L C 0.878 177.739 176.870 -0.014 0.000 1.075 143 L CA 0.509 55.330 54.840 -0.032 0.000 0.830 143 L CB -0.187 41.832 42.059 -0.065 0.000 0.996 143 L HN 0.283 nan 8.230 nan 0.000 0.467 144 A N 0.368 123.202 122.820 0.022 0.000 3.410 144 A HA 0.455 4.776 4.320 0.000 0.000 0.276 144 A C -2.584 175.059 177.584 0.098 0.000 0.995 144 A CA -1.020 51.058 52.037 0.068 0.000 0.934 144 A CB -0.246 18.820 19.000 0.110 0.000 1.191 144 A HN -0.150 nan 8.150 nan 0.000 0.511 145 P HA 0.017 nan 4.420 nan 0.000 0.263 145 P C -0.600 176.823 177.300 0.205 0.000 1.175 145 P CA 0.752 63.890 63.100 0.063 0.000 0.761 145 P CB 0.241 31.971 31.700 0.050 0.000 0.794 146 Y N 1.140 121.474 120.300 0.056 0.000 2.298 146 Y HA 0.510 5.060 4.550 0.000 0.000 0.329 146 Y C 0.964 176.885 175.900 0.034 0.000 1.293 146 Y CA -1.660 56.466 58.100 0.043 0.000 1.388 146 Y CB 0.268 38.753 38.460 0.042 0.000 1.309 146 Y HN 0.370 nan 8.280 nan 0.000 0.544 147 A N 2.200 125.134 122.820 0.190 0.000 2.356 147 A HA 0.462 4.782 4.320 0.000 0.000 0.310 147 A C -0.407 177.216 177.584 0.065 0.000 1.075 147 A CA -1.116 50.983 52.037 0.103 0.000 0.746 147 A CB 0.758 19.798 19.000 0.067 0.000 1.221 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 K N 0.973 121.408 120.400 0.058 0.000 2.511 148 K HA 0.294 4.614 4.320 0.000 0.000 0.280 148 K C 1.352 177.957 176.600 0.009 0.000 1.008 148 K CA 1.719 58.027 56.287 0.034 0.000 1.050 148 K CB 0.092 32.617 32.500 0.043 0.000 0.889 148 K HN 1.715 nan 8.250 nan 0.000 0.484 149 G N 2.304 111.094 108.800 -0.018 0.000 2.189 149 G HA2 -0.268 3.692 3.960 0.000 0.000 0.267 149 G HA3 -0.268 3.692 3.960 0.000 0.000 0.267 149 G C 0.430 175.308 174.900 -0.036 0.000 0.975 149 G CA 0.229 45.311 45.100 -0.029 0.000 0.644 149 G HN 0.904 nan 8.290 nan 0.000 0.537 150 G N -0.652 108.128 108.800 -0.033 0.000 2.557 150 G HA2 0.564 4.525 3.960 0.000 0.000 0.292 150 G HA3 0.564 4.525 3.960 0.000 0.000 0.292 150 G C -0.129 174.727 174.900 -0.074 0.000 1.237 150 G CA -0.605 44.474 45.100 -0.034 0.000 0.978 150 G HN 0.375 nan 8.290 nan 0.000 0.498 151 K N 0.106 120.468 120.400 -0.064 0.000 2.240 151 K HA 0.429 4.749 4.320 0.000 0.000 0.271 151 K C -0.817 175.708 176.600 -0.124 0.000 1.018 151 K CA -0.160 56.072 56.287 -0.091 0.000 0.874 151 K CB 1.812 34.286 32.500 -0.043 0.000 1.098 151 K HN 0.250 nan 8.250 nan 0.000 0.458 152 I N 1.028 121.473 120.570 -0.208 0.000 2.493 152 I HA 0.402 4.572 4.170 0.000 0.000 0.298 152 I C 0.270 176.246 176.117 -0.236 0.000 0.998 152 I CA -0.665 60.453 61.300 -0.304 0.000 1.137 152 I CB 2.223 39.851 38.000 -0.621 0.000 1.310 152 I HN 0.631 nan 8.210 nan 0.000 0.445 153 G N 6.115 114.815 108.800 -0.167 0.000 2.643 153 G HA2 0.671 4.631 3.960 0.000 0.000 0.305 153 G HA3 0.671 4.631 3.960 0.000 0.000 0.305 153 G C -1.156 173.687 174.900 -0.095 0.000 1.387 153 G CA -0.502 44.483 45.100 -0.191 0.000 0.982 153 G HN 0.417 nan 8.290 nan 0.000 0.501 154 L N 2.301 123.440 121.223 -0.140 0.000 2.277 154 L HA 0.451 4.791 4.340 0.000 0.000 0.284 154 L C -0.778 176.057 176.870 -0.058 0.000 1.028 154 L CA -0.605 54.242 54.840 0.011 0.000 0.835 154 L CB 0.835 42.929 42.059 0.059 0.000 1.215 154 L HN 0.334 nan 8.230 nan 0.000 0.425 155 F N 1.511 121.448 119.950 -0.021 0.000 2.394 155 F HA 0.734 5.260 4.527 -0.000 0.000 0.340 155 F C 0.929 176.725 175.800 -0.008 0.000 1.105 155 F CA -0.252 57.719 58.000 -0.048 0.000 1.124 155 F CB 1.993 40.939 39.000 -0.090 0.000 1.145 155 F HN 0.443 nan 8.300 nan 0.000 0.505 156 G N 1.189 110.068 108.800 0.132 0.000 2.691 156 G HA2 0.476 4.436 3.960 0.000 0.000 0.298 156 G HA3 0.476 4.436 3.960 0.000 0.000 0.298 156 G C -0.715 174.170 174.900 -0.025 0.000 1.471 156 G CA -0.426 44.718 45.100 0.074 0.000 0.912 156 G HN 0.927 nan 8.290 nan 0.000 0.553 157 G N -0.332 108.429 108.800 -0.064 0.000 2.611 157 G HA2 0.661 4.621 3.960 0.000 0.000 0.273 157 G HA3 0.661 4.621 3.960 0.000 0.000 0.273 157 G C 0.764 175.680 174.900 0.026 0.000 1.305 157 G CA 0.366 45.369 45.100 -0.162 0.000 1.010 157 G HN 1.694 nan 8.290 nan 0.000 0.509 158 A N -1.266 121.634 122.820 0.133 0.000 2.492 158 A HA 0.523 4.843 4.320 0.000 0.000 0.254 158 A C 1.432 179.089 177.584 0.121 0.000 1.091 158 A CA 0.967 53.138 52.037 0.224 0.000 0.768 158 A CB -0.606 18.537 19.000 0.238 0.000 1.028 158 A HN 2.557 nan 8.150 nan 0.000 0.498 159 G N 1.047 109.914 108.800 0.111 0.000 2.272 159 G HA2 -0.093 3.867 3.960 0.000 0.000 0.280 159 G HA3 -0.093 3.867 3.960 0.000 0.000 0.280 159 G C 0.473 175.420 174.900 0.078 0.000 1.067 159 G CA 0.790 45.932 45.100 0.070 0.000 0.902 159 G HN 2.132 nan 8.290 nan 0.000 0.500 160 V N -4.078 115.894 119.914 0.097 0.000 3.605 160 V HA 0.709 4.829 4.120 0.000 0.000 0.284 160 V C 1.687 177.879 176.094 0.163 0.000 1.386 160 V CA 1.022 63.396 62.300 0.124 0.000 1.053 160 V CB 0.382 32.258 31.823 0.088 0.000 0.857 160 V HN 2.075 nan 8.190 nan 0.000 0.436 161 G N 0.577 109.454 108.800 0.128 0.000 2.273 161 G HA2 -0.173 3.787 3.960 0.000 0.000 0.162 161 G HA3 -0.173 3.787 3.960 0.000 0.000 0.162 161 G C 0.673 175.668 174.900 0.157 0.000 1.006 161 G CA 0.173 45.358 45.100 0.142 0.000 0.704 161 G HN 0.388 nan 8.290 nan 0.000 0.487 162 K N 0.199 120.682 120.400 0.139 0.000 2.001 162 K HA -0.113 4.207 4.320 0.000 0.000 0.214 162 K C 2.490 179.178 176.600 0.147 0.000 1.050 162 K CA 2.122 58.492 56.287 0.139 0.000 0.934 162 K CB -0.476 32.095 32.500 0.118 0.000 0.718 162 K HN 0.277 nan 8.250 nan 0.000 0.443 163 T N 1.268 115.905 114.554 0.139 0.000 2.746 163 T HA -0.099 4.251 4.350 0.000 0.000 0.267 163 T C 2.118 176.909 174.700 0.152 0.000 1.039 163 T CA 1.188 63.378 62.100 0.149 0.000 1.142 163 T CB -0.239 68.717 68.868 0.146 0.000 0.866 163 T HN -0.042 nan 8.240 nan 0.000 0.444 164 V N 1.515 121.524 119.914 0.159 0.000 2.287 164 V HA -0.132 3.988 4.120 0.000 0.000 0.248 164 V C 2.416 178.649 176.094 0.231 0.000 1.053 164 V CA 1.418 63.843 62.300 0.208 0.000 1.027 164 V CB -0.674 31.287 31.823 0.230 0.000 0.646 164 V HN 0.333 nan 8.190 nan 0.000 0.447 165 L N -0.434 120.955 121.223 0.277 0.000 2.079 165 L HA -0.161 4.179 4.340 0.000 0.000 0.210 165 L C 2.093 179.043 176.870 0.133 0.000 1.081 165 L CA 1.853 56.855 54.840 0.270 0.000 0.752 165 L CB -0.423 41.821 42.059 0.309 0.000 0.896 165 L HN 0.243 nan 8.230 nan 0.000 0.433 166 I N -1.578 119.074 120.570 0.136 0.000 2.546 166 I HA -0.245 3.925 4.170 0.000 0.000 0.255 166 I C 1.954 178.062 176.117 -0.015 0.000 1.163 166 I CA 0.512 61.873 61.300 0.102 0.000 1.457 166 I CB 0.059 38.153 38.000 0.156 0.000 1.092 166 I HN 0.302 nan 8.210 nan 0.000 0.434 167 M N -0.331 119.275 119.600 0.010 0.000 2.156 167 M HA -0.186 4.294 4.480 0.000 0.000 0.264 167 M C 2.127 178.367 176.300 -0.101 0.000 1.067 167 M CA 1.566 56.839 55.300 -0.045 0.000 1.131 167 M CB -1.195 31.421 32.600 0.026 0.000 1.368 167 M HN 0.129 nan 8.290 nan 0.000 0.416 168 E N 0.181 120.292 120.200 -0.147 0.000 2.285 168 E HA -0.044 4.306 4.350 0.000 0.000 0.194 168 E C 1.938 178.409 176.600 -0.214 0.000 0.997 168 E CA 0.633 56.861 56.400 -0.286 0.000 0.845 168 E CB -0.065 29.178 29.700 -0.762 0.000 0.782 168 E HN 0.447 nan 8.360 nan 0.000 0.491 169 L N -0.088 121.062 121.223 -0.122 0.000 2.179 169 L HA 0.008 4.348 4.340 0.000 0.000 0.208 169 L C 2.158 179.023 176.870 -0.009 0.000 1.096 169 L CA 0.528 55.368 54.840 0.001 0.000 0.779 169 L CB -0.127 42.038 42.059 0.176 0.000 0.922 169 L HN 0.212 nan 8.230 nan 0.000 0.443 170 I N -0.044 120.423 120.570 -0.172 0.000 2.252 170 I HA -0.296 3.874 4.170 0.000 0.000 0.245 170 I C 2.257 178.327 176.117 -0.079 0.000 1.102 170 I CA 1.329 62.485 61.300 -0.240 0.000 1.385 170 I CB -0.178 37.582 38.000 -0.400 0.000 1.064 170 I HN 0.350 nan 8.210 nan 0.000 0.414 171 N N 1.207 119.855 118.700 -0.088 0.000 2.051 171 N HA -0.174 4.566 4.740 0.000 0.000 0.192 171 N C 1.440 176.931 175.510 -0.031 0.000 1.049 171 N CA 1.618 54.633 53.050 -0.058 0.000 0.845 171 N CB -0.080 38.360 38.487 -0.077 0.000 1.031 171 N HN 0.118 nan 8.380 nan 0.000 0.425 172 N N -0.875 117.798 118.700 -0.044 0.000 2.573 172 N HA -0.027 4.713 4.740 0.000 0.000 0.187 172 N C 0.555 176.081 175.510 0.027 0.000 1.107 172 N CA 0.490 53.528 53.050 -0.021 0.000 0.918 172 N CB 0.443 38.898 38.487 -0.054 0.000 0.966 172 N HN 0.208 nan 8.380 nan 0.000 0.448 173 V N -1.388 118.565 119.914 0.064 0.000 3.359 173 V HA 0.242 4.362 4.120 0.000 0.000 0.204 173 V C 1.878 178.066 176.094 0.157 0.000 1.410 173 V CA 0.587 62.956 62.300 0.114 0.000 1.303 173 V CB -0.651 31.266 31.823 0.156 0.000 1.198 173 V HN 0.100 nan 8.190 nan 0.000 0.531 174 A N 0.551 123.483 122.820 0.187 0.000 1.883 174 A HA -0.229 4.091 4.320 0.000 0.000 0.217 174 A C 2.091 179.775 177.584 0.166 0.000 1.186 174 A CA 2.307 54.481 52.037 0.228 0.000 0.624 174 A CB -0.491 18.657 19.000 0.246 0.000 0.822 174 A HN 0.510 nan 8.150 nan 0.000 0.444 175 K N -0.599 119.857 120.400 0.093 0.000 2.103 175 K HA -0.123 4.197 4.320 0.000 0.000 0.207 175 K C 2.089 178.727 176.600 0.063 0.000 1.048 175 K CA 1.289 57.613 56.287 0.062 0.000 0.930 175 K CB -0.259 32.255 32.500 0.023 0.000 0.716 175 K HN 0.481 nan 8.250 nan 0.000 0.444 176 A N 0.579 123.444 122.820 0.074 0.000 2.081 176 A HA -0.058 4.262 4.320 0.000 0.000 0.214 176 A C 0.515 178.135 177.584 0.061 0.000 1.158 176 A CA 0.085 52.152 52.037 0.050 0.000 0.724 176 A CB -0.434 18.591 19.000 0.041 0.000 0.826 176 A HN 0.348 nan 8.150 nan 0.000 0.463 177 H N 0.754 119.833 119.070 0.015 0.000 3.214 177 H HA 0.226 4.782 4.556 0.000 0.000 0.291 177 H C 0.788 176.090 175.328 -0.043 0.000 0.926 177 H CA 0.523 56.571 56.048 -0.001 0.000 1.409 177 H CB 0.336 30.116 29.762 0.030 0.000 1.406 177 H HN 0.141 nan 8.280 nan 0.000 0.561 178 G N 3.794 112.218 108.800 -0.628 0.000 2.696 178 G HA2 0.538 4.498 3.960 0.000 0.000 0.329 178 G HA3 0.538 4.498 3.960 0.000 0.000 0.329 178 G C -0.107 174.316 174.900 -0.795 0.000 0.973 178 G CA 0.261 45.050 45.100 -0.517 0.000 1.257 178 G HN 0.937 nan 8.290 nan 0.000 0.456 179 G N 0.840 109.217 108.800 -0.705 0.000 2.324 179 G HA2 0.372 4.332 3.960 0.000 0.000 0.293 179 G HA3 0.372 4.332 3.960 0.000 0.000 0.293 179 G C -1.267 173.397 174.900 -0.392 0.000 1.297 179 G CA -0.960 43.791 45.100 -0.582 0.000 0.853 179 G HN 0.276 nan 8.290 nan 0.000 0.535 180 Y N 0.016 120.319 120.300 0.005 0.000 2.344 180 Y HA 0.759 5.309 4.550 -0.000 0.000 0.330 180 Y C 1.076 177.041 175.900 0.108 0.000 1.330 180 Y CA -0.367 57.700 58.100 -0.055 0.000 1.479 180 Y CB 1.498 39.683 38.460 -0.459 0.000 1.428 180 Y HN 0.477 nan 8.280 nan 0.000 0.544 181 S N -0.204 115.671 115.700 0.290 0.000 2.540 181 S HA 0.692 5.162 4.470 0.000 0.000 0.275 181 S C -1.652 173.122 174.600 0.290 0.000 1.123 181 S CA -0.819 57.537 58.200 0.260 0.000 0.907 181 S CB 1.858 65.258 63.200 0.333 0.000 1.081 181 S HN 0.299 nan 8.310 nan 0.000 0.476 182 V N 3.092 123.161 119.914 0.259 0.000 2.525 182 V HA 0.535 4.655 4.120 0.000 0.000 0.299 182 V C -1.392 174.855 176.094 0.254 0.000 1.034 182 V CA -0.626 61.815 62.300 0.235 0.000 0.863 182 V CB 1.364 33.285 31.823 0.163 0.000 0.999 182 V HN 0.848 nan 8.190 nan 0.000 0.423 183 F N 4.463 124.484 119.950 0.118 0.000 2.375 183 F HA 0.803 5.330 4.527 0.000 0.000 0.361 183 F C 0.281 176.011 175.800 -0.116 0.000 1.117 183 F CA -0.666 57.386 58.000 0.087 0.000 1.037 183 F CB 1.167 40.224 39.000 0.095 0.000 1.192 183 F HN 0.578 nan 8.300 nan 0.000 0.452 184 A N 4.657 127.239 122.820 -0.396 0.000 2.258 184 A HA 0.648 4.968 4.320 0.000 0.000 0.316 184 A C 0.104 177.393 177.584 -0.492 0.000 1.279 184 A CA -0.297 51.519 52.037 -0.368 0.000 0.876 184 A CB 0.130 18.965 19.000 -0.274 0.000 1.170 184 A HN 1.007 nan 8.150 nan 0.000 0.520 185 G N 1.400 109.888 108.800 -0.520 0.000 2.350 185 G HA2 0.499 4.459 3.960 0.000 0.000 0.306 185 G HA3 0.499 4.459 3.960 0.000 0.000 0.306 185 G C -0.590 174.256 174.900 -0.089 0.000 1.094 185 G CA -0.194 44.783 45.100 -0.205 0.000 0.953 185 G HN 0.710 nan 8.290 nan 0.000 0.420 186 V N 2.737 122.620 119.914 -0.052 0.000 2.334 186 V HA 0.583 4.703 4.120 0.000 0.000 0.281 186 V C 1.180 177.293 176.094 0.032 0.000 1.016 186 V CA 0.279 62.572 62.300 -0.012 0.000 0.832 186 V CB 0.732 32.535 31.823 -0.034 0.000 0.999 186 V HN 1.349 nan 8.190 nan 0.000 0.439 187 G N 3.326 112.154 108.800 0.047 0.000 2.258 187 G HA2 -0.197 3.763 3.960 0.000 0.000 0.274 187 G HA3 -0.197 3.763 3.960 0.000 0.000 0.274 187 G C 0.213 175.148 174.900 0.059 0.000 1.021 187 G CA 0.470 45.595 45.100 0.042 0.000 0.798 187 G HN 0.598 nan 8.290 nan 0.000 0.507 188 E N -0.611 119.649 120.200 0.100 0.000 3.029 188 E HA 0.440 4.790 4.350 0.000 0.000 0.249 188 E C 0.960 177.625 176.600 0.109 0.000 1.089 188 E CA -0.872 55.594 56.400 0.109 0.000 1.089 188 E CB 0.460 30.249 29.700 0.147 0.000 1.428 188 E HN 0.393 nan 8.360 nan 0.000 0.555 189 R N 0.367 120.932 120.500 0.107 0.000 2.298 189 R HA 0.191 4.531 4.340 0.000 0.000 0.310 189 R C 1.150 177.490 176.300 0.068 0.000 1.068 189 R CA -0.001 56.145 56.100 0.078 0.000 0.957 189 R CB 0.404 30.745 30.300 0.069 0.000 1.003 189 R HN 0.408 nan 8.270 nan 0.000 0.454 190 T N 2.459 117.033 114.554 0.033 0.000 2.684 190 T HA -0.209 4.141 4.350 0.000 0.000 0.267 190 T C 1.815 176.494 174.700 -0.035 0.000 1.036 190 T CA 1.547 63.636 62.100 -0.018 0.000 1.148 190 T CB -0.147 68.706 68.868 -0.024 0.000 0.863 190 T HN 0.591 nan 8.240 nan 0.000 0.436 191 R N 1.164 121.664 120.500 -0.000 0.000 2.140 191 R HA -0.206 4.134 4.340 0.000 0.000 0.250 191 R C 2.124 178.428 176.300 0.005 0.000 1.150 191 R CA 2.119 58.223 56.100 0.008 0.000 0.966 191 R CB -0.242 30.076 30.300 0.029 0.000 0.869 191 R HN 0.510 nan 8.270 nan 0.000 0.445 192 E N -1.002 119.213 120.200 0.025 0.000 2.110 192 E HA -0.126 4.224 4.350 0.000 0.000 0.193 192 E C 1.914 178.510 176.600 -0.008 0.000 0.988 192 E CA 1.059 57.484 56.400 0.040 0.000 0.804 192 E CB -0.174 29.587 29.700 0.103 0.000 0.745 192 E HN 0.667 nan 8.360 nan 0.000 0.458 193 G N 0.935 109.677 108.800 -0.097 0.000 2.422 193 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 193 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 193 G C 1.399 176.132 174.900 -0.279 0.000 1.140 193 G CA 0.809 45.691 45.100 -0.363 0.000 0.775 193 G HN 0.175 nan 8.290 nan 0.000 0.545 194 N N 0.336 118.931 118.700 -0.175 0.000 2.216 194 N HA -0.059 4.681 4.740 0.000 0.000 0.183 194 N C 1.634 177.157 175.510 0.023 0.000 1.017 194 N CA 1.234 54.242 53.050 -0.071 0.000 0.861 194 N CB 0.018 38.505 38.487 -0.001 0.000 0.986 194 N HN 0.077 nan 8.380 nan 0.000 0.428 195 D N 0.102 120.511 120.400 0.015 0.000 2.097 195 D HA -0.133 4.507 4.640 0.000 0.000 0.197 195 D C 1.885 178.187 176.300 0.005 0.000 0.984 195 D CA 0.624 54.645 54.000 0.034 0.000 0.826 195 D CB -0.441 40.374 40.800 0.025 0.000 0.973 195 D HN 0.235 nan 8.370 nan 0.000 0.460 196 L N -0.012 121.184 121.223 -0.046 0.000 1.994 196 L HA -0.184 4.156 4.340 0.000 0.000 0.208 196 L C 2.277 179.123 176.870 -0.039 0.000 1.071 196 L CA 1.508 56.290 54.840 -0.097 0.000 0.745 196 L CB -0.846 41.071 42.059 -0.237 0.000 0.892 196 L HN 0.002 nan 8.230 nan 0.000 0.431 197 Y N 0.499 120.683 120.300 -0.192 0.000 2.040 197 Y HA -0.365 4.185 4.550 0.000 0.000 0.275 197 Y C 2.659 178.449 175.900 -0.183 0.000 1.171 197 Y CA 2.410 60.379 58.100 -0.219 0.000 1.123 197 Y CB -1.002 37.234 38.460 -0.373 0.000 0.963 197 Y HN 0.466 nan 8.280 nan 0.000 0.493 198 H N -0.998 118.018 119.070 -0.091 0.000 2.489 198 H HA -0.102 4.454 4.556 0.000 0.000 0.293 198 H C 2.041 177.278 175.328 -0.152 0.000 1.066 198 H CA 1.165 57.094 56.048 -0.199 0.000 1.305 198 H CB 0.117 29.821 29.762 -0.097 0.000 1.386 198 H HN 0.469 nan 8.280 nan 0.000 0.551 199 E N -0.276 119.919 120.200 -0.007 0.000 2.086 199 E HA -0.105 4.245 4.350 0.000 0.000 0.190 199 E C 1.794 178.360 176.600 -0.058 0.000 0.975 199 E CA 0.473 56.853 56.400 -0.033 0.000 0.813 199 E CB 0.225 29.901 29.700 -0.040 0.000 0.768 199 E HN 0.283 nan 8.360 nan 0.000 0.457 200 M N 0.215 119.771 119.600 -0.073 0.000 2.082 200 M HA -0.178 4.302 4.480 0.000 0.000 0.258 200 M C 2.222 178.476 176.300 -0.076 0.000 1.069 200 M CA 1.512 56.776 55.300 -0.060 0.000 1.102 200 M CB -0.849 31.731 32.600 -0.032 0.000 1.336 200 M HN 0.182 nan 8.290 nan 0.000 0.404 201 I N -0.223 120.262 120.570 -0.142 0.000 2.113 201 I HA -0.255 3.915 4.170 0.000 0.000 0.238 201 I C 2.293 178.363 176.117 -0.078 0.000 1.070 201 I CA 1.056 62.274 61.300 -0.137 0.000 1.332 201 I CB -0.467 37.404 38.000 -0.216 0.000 1.044 201 I HN 0.224 nan 8.210 nan 0.000 0.402 202 E N 0.701 120.861 120.200 -0.066 0.000 2.333 202 E HA -0.189 4.161 4.350 0.000 0.000 0.200 202 E C 1.788 178.363 176.600 -0.042 0.000 1.010 202 E CA 1.463 57.833 56.400 -0.050 0.000 0.841 202 E CB -0.257 29.416 29.700 -0.045 0.000 0.757 202 E HN 0.551 nan 8.360 nan 0.000 0.508 203 S N -2.233 113.443 115.700 -0.040 0.000 2.663 203 S HA 0.356 4.826 4.470 0.000 0.000 0.243 203 S C 1.374 175.961 174.600 -0.022 0.000 1.009 203 S CA 0.346 58.528 58.200 -0.029 0.000 0.988 203 S CB 0.625 63.808 63.200 -0.029 0.000 0.896 203 S HN 0.195 nan 8.310 nan 0.000 0.502 204 G N 1.246 110.030 108.800 -0.026 0.000 2.186 204 G HA2 -0.349 3.611 3.960 0.000 0.000 0.266 204 G HA3 -0.349 3.611 3.960 0.000 0.000 0.266 204 G C 0.796 175.694 174.900 -0.004 0.000 0.982 204 G CA 0.560 45.650 45.100 -0.016 0.000 0.670 204 G HN 0.936 nan 8.290 nan 0.000 0.533 205 V N -0.559 119.354 119.914 -0.001 0.000 2.626 205 V HA 0.196 4.316 4.120 0.000 0.000 0.252 205 V C 1.586 177.702 176.094 0.036 0.000 1.067 205 V CA 1.480 63.795 62.300 0.024 0.000 1.081 205 V CB -0.244 31.599 31.823 0.033 0.000 0.686 205 V HN 0.506 nan 8.190 nan 0.000 0.468 206 I N 1.284 121.862 120.570 0.013 0.000 2.404 206 I HA 0.397 4.567 4.170 0.000 0.000 0.293 206 I C -0.466 175.649 176.117 -0.004 0.000 0.992 206 I CA -0.221 61.091 61.300 0.021 0.000 1.149 206 I CB 1.651 39.656 38.000 0.008 0.000 1.315 206 I HN 0.088 nan 8.210 nan 0.000 0.446 207 N N 6.654 125.363 118.700 0.016 0.000 2.442 207 N HA 0.367 5.107 4.740 0.000 0.000 0.274 207 N C 0.163 175.683 175.510 0.017 0.000 1.002 207 N CA -0.400 52.655 53.050 0.008 0.000 0.910 207 N CB 1.813 40.310 38.487 0.015 0.000 1.244 207 N HN 0.558 nan 8.380 nan 0.000 0.492 208 L N 2.152 123.379 121.223 0.007 0.000 2.509 208 L HA 0.134 4.474 4.340 0.000 0.000 0.222 208 L C 1.714 178.597 176.870 0.023 0.000 1.123 208 L CA 0.462 55.316 54.840 0.024 0.000 0.856 208 L CB 0.048 42.119 42.059 0.019 0.000 0.985 208 L HN 0.274 nan 8.230 nan 0.000 0.456 209 K N 0.033 120.441 120.400 0.015 0.000 2.276 209 K HA 0.103 4.423 4.320 0.000 0.000 0.198 209 K C 0.284 176.893 176.600 0.015 0.000 1.052 209 K CA 0.509 56.804 56.287 0.013 0.000 0.984 209 K CB 0.211 32.715 32.500 0.007 0.000 0.836 209 K HN 0.405 nan 8.250 nan 0.000 0.490 210 D N -1.530 118.879 120.400 0.016 0.000 2.727 210 D HA 0.338 4.978 4.640 0.000 0.000 0.264 210 D C -0.509 175.805 176.300 0.023 0.000 1.101 210 D CA -0.817 53.194 54.000 0.018 0.000 1.122 210 D CB 0.434 41.243 40.800 0.014 0.000 1.390 210 D HN -0.137 nan 8.370 nan 0.000 0.606 211 A N -0.576 122.259 122.820 0.024 0.000 2.797 211 A HA 0.335 4.655 4.320 0.000 0.000 0.287 211 A C 0.932 178.539 177.584 0.038 0.000 1.369 211 A CA 0.207 52.262 52.037 0.031 0.000 0.968 211 A CB -1.210 17.808 19.000 0.029 0.000 1.069 211 A HN 0.562 nan 8.150 nan 0.000 0.571 212 T N -2.952 111.622 114.554 0.034 0.000 3.163 212 T HA 0.178 4.528 4.350 0.000 0.000 0.252 212 T C 0.554 175.283 174.700 0.049 0.000 1.056 212 T CA 0.067 62.188 62.100 0.036 0.000 0.947 212 T CB -0.349 68.531 68.868 0.020 0.000 1.016 212 T HN 0.156 nan 8.240 nan 0.000 0.554 213 S N 1.762 117.496 115.700 0.058 0.000 2.533 213 S HA 0.246 4.716 4.470 0.000 0.000 0.282 213 S C 0.793 175.460 174.600 0.112 0.000 1.304 213 S CA -0.378 57.866 58.200 0.073 0.000 1.063 213 S CB 0.852 64.094 63.200 0.070 0.000 0.881 213 S HN 0.413 nan 8.310 nan 0.000 0.493 214 K N 1.969 122.441 120.400 0.120 0.000 2.478 214 K HA 0.308 4.628 4.320 0.000 0.000 0.205 214 K C -1.130 175.592 176.600 0.202 0.000 1.033 214 K CA 0.091 56.484 56.287 0.177 0.000 1.091 214 K CB 0.575 33.133 32.500 0.098 0.000 0.844 214 K HN 0.382 nan 8.250 nan 0.000 0.507 215 V N 0.934 120.950 119.914 0.170 0.000 2.655 215 V HA 0.406 4.526 4.120 0.000 0.000 0.301 215 V C -0.793 175.409 176.094 0.180 0.000 1.082 215 V CA -1.213 61.203 62.300 0.193 0.000 0.899 215 V CB 1.561 33.492 31.823 0.180 0.000 1.014 215 V HN 0.139 nan 8.190 nan 0.000 0.429 216 A N 5.555 128.499 122.820 0.206 0.000 2.303 216 A HA 0.968 5.288 4.320 0.000 0.000 0.317 216 A C -0.804 176.888 177.584 0.181 0.000 1.149 216 A CA -0.457 51.689 52.037 0.181 0.000 0.822 216 A CB 0.822 19.942 19.000 0.199 0.000 1.131 216 A HN 0.814 nan 8.150 nan 0.000 0.493 217 L N 1.676 122.991 121.223 0.154 0.000 2.362 217 L HA 0.699 5.039 4.340 0.000 0.000 0.271 217 L C -0.956 175.972 176.870 0.097 0.000 1.002 217 L CA -0.899 54.043 54.840 0.170 0.000 0.818 217 L CB 2.141 44.366 42.059 0.276 0.000 1.298 217 L HN 0.417 nan 8.230 nan 0.000 0.420 218 V N 1.796 121.688 119.914 -0.036 0.000 2.638 218 V HA 0.506 4.626 4.120 0.000 0.000 0.306 218 V C -1.411 174.533 176.094 -0.249 0.000 1.052 218 V CA -0.723 61.542 62.300 -0.058 0.000 0.885 218 V CB 1.992 33.767 31.823 -0.080 0.000 0.999 218 V HN 0.458 nan 8.190 nan 0.000 0.424 219 Y N 1.219 121.533 120.300 0.023 0.000 2.457 219 Y HA 0.731 5.281 4.550 0.000 0.000 0.343 219 Y C 0.535 176.442 175.900 0.012 0.000 0.994 219 Y CA -0.596 57.522 58.100 0.030 0.000 1.031 219 Y CB 2.844 41.312 38.460 0.013 0.000 1.246 219 Y HN 0.730 nan 8.280 nan 0.000 0.449 220 G N 3.576 112.470 108.800 0.157 0.000 4.184 220 G HA2 0.229 4.189 3.960 0.000 0.000 0.282 220 G HA3 0.229 4.189 3.960 0.000 0.000 0.282 220 G C -0.850 174.112 174.900 0.102 0.000 1.223 220 G CA -0.581 44.577 45.100 0.097 0.000 0.773 220 G HN 0.317 nan 8.290 nan 0.000 0.519 221 Q N 0.540 120.421 119.800 0.136 0.000 2.584 221 Q HA 0.205 4.545 4.340 0.000 0.000 0.218 221 Q C 1.822 177.859 176.000 0.062 0.000 1.079 221 Q CA -0.345 55.526 55.803 0.113 0.000 1.008 221 Q CB 0.728 29.537 28.738 0.118 0.000 1.267 221 Q HN 0.455 nan 8.270 nan 0.000 0.586 222 M N 0.767 120.397 119.600 0.051 0.000 2.530 222 M HA -0.195 4.285 4.480 0.000 0.000 0.261 222 M C 1.148 177.461 176.300 0.021 0.000 1.067 222 M CA 1.410 56.728 55.300 0.029 0.000 1.071 222 M CB -0.568 32.047 32.600 0.026 0.000 1.405 222 M HN 0.599 nan 8.290 nan 0.000 0.478 223 N N -0.565 118.149 118.700 0.023 0.000 2.322 223 N HA 0.039 4.779 4.740 0.000 0.000 0.194 223 N C -0.190 175.328 175.510 0.014 0.000 1.126 223 N CA -0.221 52.838 53.050 0.016 0.000 0.845 223 N CB 0.296 38.791 38.487 0.013 0.000 0.976 223 N HN 0.160 nan 8.380 nan 0.000 0.475 224 E N 1.570 121.781 120.200 0.018 0.000 2.250 224 E HA 0.353 4.703 4.350 0.000 0.000 0.269 224 E C -2.416 174.188 176.600 0.007 0.000 1.018 224 E CA -2.196 54.213 56.400 0.015 0.000 0.873 224 E CB 0.825 30.539 29.700 0.022 0.000 1.134 224 E HN 0.099 nan 8.360 nan 0.000 0.403 225 P HA 0.096 nan 4.420 nan 0.000 0.275 225 P C -1.875 175.422 177.300 -0.005 0.000 1.228 225 P CA -1.128 61.972 63.100 0.000 0.000 0.786 225 P CB 0.080 31.781 31.700 0.003 0.000 0.927 226 P HA -0.321 nan 4.420 nan 0.000 0.219 226 P C 1.543 178.830 177.300 -0.022 0.000 1.161 226 P CA 2.470 65.553 63.100 -0.029 0.000 0.909 226 P CB -0.740 30.938 31.700 -0.036 0.000 0.793 227 G N 0.393 109.188 108.800 -0.008 0.000 2.529 227 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 227 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 227 G C 1.874 176.784 174.900 0.017 0.000 1.177 227 G CA 1.780 46.884 45.100 0.007 0.000 0.773 227 G HN 0.444 nan 8.290 nan 0.000 0.573 228 A N 0.449 123.279 122.820 0.016 0.000 1.902 228 A HA -0.025 4.295 4.320 0.000 0.000 0.217 228 A C 2.443 180.041 177.584 0.023 0.000 1.181 228 A CA 1.732 53.782 52.037 0.022 0.000 0.623 228 A CB -0.403 18.610 19.000 0.022 0.000 0.818 228 A HN 0.375 nan 8.150 nan 0.000 0.443 229 R N -0.759 119.749 120.500 0.013 0.000 2.148 229 R HA -0.010 4.330 4.340 0.000 0.000 0.227 229 R C 2.130 178.449 176.300 0.032 0.000 1.103 229 R CA 0.934 57.041 56.100 0.011 0.000 0.983 229 R CB -0.300 29.991 30.300 -0.014 0.000 0.874 229 R HN 0.507 nan 8.270 nan 0.000 0.451 230 A N 0.336 123.170 122.820 0.022 0.000 2.206 230 A HA 0.004 4.324 4.320 0.000 0.000 0.211 230 A C 1.667 179.370 177.584 0.200 0.000 1.158 230 A CA 0.681 52.749 52.037 0.052 0.000 0.761 230 A CB 0.144 19.119 19.000 -0.041 0.000 0.801 230 A HN 0.069 nan 8.150 nan 0.000 0.473 231 R N -1.144 119.421 120.500 0.109 0.000 2.310 231 R HA 0.065 4.405 4.340 0.000 0.000 0.199 231 R C 1.929 178.228 176.300 -0.002 0.000 0.891 231 R CA 1.251 57.387 56.100 0.059 0.000 1.060 231 R CB -0.867 29.452 30.300 0.033 0.000 1.188 231 R HN 0.426 nan 8.270 nan 0.000 0.607 232 V N 0.709 120.623 119.914 -0.000 0.000 2.277 232 V HA -0.269 3.851 4.120 0.000 0.000 0.253 232 V C 2.483 178.526 176.094 -0.084 0.000 1.067 232 V CA 2.205 64.483 62.300 -0.037 0.000 1.047 232 V CB -1.516 30.289 31.823 -0.030 0.000 0.649 232 V HN 0.201 nan 8.190 nan 0.000 0.447 233 A N 0.653 123.420 122.820 -0.088 0.000 1.948 233 A HA -0.134 4.186 4.320 0.000 0.000 0.220 233 A C 2.282 179.748 177.584 -0.197 0.000 1.177 233 A CA 2.363 54.300 52.037 -0.168 0.000 0.636 233 A CB -0.640 18.220 19.000 -0.233 0.000 0.815 233 A HN 0.589 nan 8.150 nan 0.000 0.449 234 L N -1.149 119.962 121.223 -0.186 0.000 2.017 234 L HA -0.163 4.177 4.340 0.000 0.000 0.208 234 L C 2.833 179.595 176.870 -0.181 0.000 1.073 234 L CA 1.895 56.604 54.840 -0.217 0.000 0.745 234 L CB -1.279 40.620 42.059 -0.267 0.000 0.894 234 L HN 0.350 nan 8.230 nan 0.000 0.432 235 T N -0.027 114.440 114.554 -0.144 0.000 2.635 235 T HA -0.174 4.177 4.350 0.000 0.000 0.267 235 T C 1.817 176.443 174.700 -0.123 0.000 1.040 235 T CA 1.551 63.579 62.100 -0.119 0.000 1.156 235 T CB -0.665 68.153 68.868 -0.083 0.000 0.863 235 T HN 0.579 nan 8.240 nan 0.000 0.430 236 G N 1.597 110.321 108.800 -0.127 0.000 2.459 236 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 236 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 236 G C 1.554 176.377 174.900 -0.128 0.000 1.183 236 G CA 1.168 46.192 45.100 -0.126 0.000 0.776 236 G HN 0.482 nan 8.290 nan 0.000 0.552 237 L N 0.810 121.942 121.223 -0.152 0.000 2.079 237 L HA -0.027 4.313 4.340 0.000 0.000 0.210 237 L C 2.774 179.565 176.870 -0.132 0.000 1.081 237 L CA 2.810 57.560 54.840 -0.149 0.000 0.752 237 L CB -0.976 40.975 42.059 -0.180 0.000 0.896 237 L HN 0.188 nan 8.230 nan 0.000 0.433 238 T N -0.894 113.576 114.554 -0.140 0.000 2.746 238 T HA -0.154 4.196 4.350 0.000 0.000 0.267 238 T C 1.975 176.582 174.700 -0.155 0.000 1.039 238 T CA 1.598 63.619 62.100 -0.132 0.000 1.142 238 T CB -0.430 68.360 68.868 -0.130 0.000 0.866 238 T HN 0.232 nan 8.240 nan 0.000 0.444 239 V N 1.795 121.603 119.914 -0.177 0.000 2.255 239 V HA -0.216 3.904 4.120 0.000 0.000 0.247 239 V C 2.912 178.824 176.094 -0.303 0.000 1.051 239 V CA 1.857 63.996 62.300 -0.269 0.000 1.018 239 V CB -1.252 30.459 31.823 -0.186 0.000 0.641 239 V HN 0.543 nan 8.190 nan 0.000 0.445 240 A N -0.342 122.403 122.820 -0.125 0.000 1.908 240 A HA -0.277 4.043 4.320 0.000 0.000 0.218 240 A C 2.116 179.677 177.584 -0.038 0.000 1.181 240 A CA 2.033 54.061 52.037 -0.015 0.000 0.627 240 A CB -0.553 18.446 19.000 -0.002 0.000 0.818 240 A HN 0.667 nan 8.150 nan 0.000 0.445 241 E N -1.753 118.402 120.200 -0.075 0.000 2.204 241 E HA -0.216 4.134 4.350 0.000 0.000 0.195 241 E C 1.740 178.304 176.600 -0.059 0.000 0.990 241 E CA 1.331 57.697 56.400 -0.056 0.000 0.821 241 E CB -0.329 29.334 29.700 -0.062 0.000 0.750 241 E HN 0.844 nan 8.360 nan 0.000 0.477 242 Y N 0.686 120.835 120.300 -0.252 0.000 2.114 242 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 242 Y C 1.736 177.548 175.900 -0.147 0.000 1.143 242 Y CA 1.581 59.513 58.100 -0.280 0.000 1.135 242 Y CB -0.291 37.870 38.460 -0.498 0.000 0.980 242 Y HN -0.076 nan 8.280 nan 0.000 0.499 243 F N 0.628 120.620 119.950 0.071 0.000 2.333 243 F HA -0.101 4.426 4.527 0.000 0.000 0.300 243 F C 2.626 178.399 175.800 -0.045 0.000 1.083 243 F CA 1.480 59.482 58.000 0.003 0.000 1.395 243 F CB -0.863 38.246 39.000 0.182 0.000 1.056 243 F HN 0.104 nan 8.300 nan 0.000 0.529 244 R N 0.242 120.795 120.500 0.089 0.000 2.062 244 R HA -0.088 4.252 4.340 0.000 0.000 0.226 244 R C 1.462 177.744 176.300 -0.031 0.000 1.125 244 R CA 1.682 57.805 56.100 0.038 0.000 0.966 244 R CB -0.101 30.207 30.300 0.013 0.000 0.861 244 R HN 0.112 nan 8.270 nan 0.000 0.433 245 D N -0.044 120.302 120.400 -0.089 0.000 2.355 245 D HA -0.057 4.583 4.640 0.000 0.000 0.233 245 D C 1.973 178.174 176.300 -0.165 0.000 0.997 245 D CA 0.664 54.601 54.000 -0.105 0.000 0.920 245 D CB -0.340 40.408 40.800 -0.086 0.000 1.063 245 D HN 0.079 nan 8.370 nan 0.000 0.465 246 Q N 0.613 120.223 119.800 -0.316 0.000 2.364 246 Q HA -0.061 4.279 4.340 0.000 0.000 0.209 246 Q C 1.297 177.086 176.000 -0.351 0.000 0.977 246 Q CA 0.959 56.524 55.803 -0.396 0.000 0.885 246 Q CB 0.093 28.416 28.738 -0.692 0.000 0.941 246 Q HN 0.557 nan 8.270 nan 0.000 0.464 247 E N -1.677 118.350 120.200 -0.289 0.000 2.421 247 E HA 0.193 4.543 4.350 0.000 0.000 0.209 247 E C 0.716 177.303 176.600 -0.021 0.000 0.871 247 E CA 0.423 56.771 56.400 -0.087 0.000 1.064 247 E CB 0.842 30.571 29.700 0.048 0.000 1.075 247 E HN 0.337 nan 8.360 nan 0.000 0.513 248 G N 2.443 111.227 108.800 -0.026 0.000 2.143 248 G HA2 -0.316 3.644 3.960 0.000 0.000 0.249 248 G HA3 -0.316 3.644 3.960 0.000 0.000 0.249 248 G C 0.179 175.092 174.900 0.023 0.000 0.981 248 G CA 0.576 45.673 45.100 -0.006 0.000 0.665 248 G HN 0.221 nan 8.290 nan 0.000 0.528 249 Q N -0.387 119.453 119.800 0.068 0.000 2.407 249 Q HA 0.436 4.776 4.340 0.000 0.000 0.214 249 Q C -0.549 175.495 176.000 0.074 0.000 1.043 249 Q CA -0.438 55.403 55.803 0.065 0.000 0.983 249 Q CB 0.382 29.180 28.738 0.101 0.000 1.211 249 Q HN 0.216 nan 8.270 nan 0.000 0.564 250 D N 0.801 121.236 120.400 0.060 0.000 2.365 250 D HA 0.225 4.865 4.640 0.000 0.000 0.237 250 D C -1.134 175.289 176.300 0.205 0.000 1.190 250 D CA -0.003 54.067 54.000 0.118 0.000 0.867 250 D CB 0.812 41.705 40.800 0.154 0.000 1.050 250 D HN 0.099 nan 8.370 nan 0.000 0.491 251 V N 2.885 122.872 119.914 0.122 0.000 2.716 251 V HA 0.436 4.556 4.120 0.000 0.000 0.304 251 V C 0.353 176.388 176.094 -0.098 0.000 1.053 251 V CA -0.899 61.462 62.300 0.101 0.000 0.984 251 V CB 1.682 33.597 31.823 0.153 0.000 1.021 251 V HN 0.344 nan 8.190 nan 0.000 0.467 252 L N 4.042 125.158 121.223 -0.178 0.000 2.325 252 L HA 0.503 4.843 4.340 0.000 0.000 0.281 252 L C -1.108 175.526 176.870 -0.392 0.000 1.004 252 L CA -0.579 54.016 54.840 -0.409 0.000 0.823 252 L CB 1.690 43.454 42.059 -0.493 0.000 1.236 252 L HN 0.424 nan 8.230 nan 0.000 0.415 253 L N 4.399 125.317 121.223 -0.509 0.000 2.305 253 L HA 0.585 4.925 4.340 0.000 0.000 0.284 253 L C -1.187 175.345 176.870 -0.564 0.000 1.013 253 L CA -0.013 54.597 54.840 -0.384 0.000 0.819 253 L CB 1.007 42.914 42.059 -0.252 0.000 1.227 253 L HN 0.179 nan 8.230 nan 0.000 0.417 254 F N 5.971 125.823 119.950 -0.163 0.000 2.444 254 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 254 F C 0.011 175.461 175.800 -0.583 0.000 1.121 254 F CA -0.505 57.319 58.000 -0.293 0.000 0.997 254 F CB 1.440 40.352 39.000 -0.146 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.454 255 I N 2.674 123.054 120.570 -0.316 0.000 2.466 255 I HA 0.348 4.518 4.170 0.000 0.000 0.289 255 I C -1.424 174.517 176.117 -0.294 0.000 1.026 255 I CA -0.543 60.529 61.300 -0.379 0.000 1.078 255 I CB 2.155 40.001 38.000 -0.256 0.000 1.249 255 I HN 0.440 nan 8.210 nan 0.000 0.429 256 D N 5.898 126.114 120.400 -0.308 0.000 2.478 256 D HA 0.241 4.881 4.640 0.000 0.000 0.240 256 D C -1.476 174.812 176.300 -0.021 0.000 1.364 256 D CA -0.316 53.630 54.000 -0.089 0.000 0.987 256 D CB 1.155 41.962 40.800 0.012 0.000 1.328 256 D HN 0.398 nan 8.370 nan 0.000 0.584 257 N N 4.451 123.162 118.700 0.017 0.000 2.346 257 N HA 0.179 4.919 4.740 0.000 0.000 0.289 257 N C 0.602 176.141 175.510 0.049 0.000 1.027 257 N CA -0.519 52.557 53.050 0.044 0.000 0.864 257 N CB 1.598 40.162 38.487 0.127 0.000 1.370 257 N HN 0.327 nan 8.380 nan 0.000 0.481 258 I N 3.951 124.526 120.570 0.009 0.000 2.530 258 I HA -0.146 4.024 4.170 0.000 0.000 0.257 258 I C 1.730 177.920 176.117 0.122 0.000 1.179 258 I CA 0.764 62.072 61.300 0.015 0.000 1.440 258 I CB -0.648 37.308 38.000 -0.073 0.000 1.087 258 I HN 0.623 nan 8.210 nan 0.000 0.440 259 F N 1.666 121.646 119.950 0.050 0.000 2.126 259 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 259 F C 2.353 178.223 175.800 0.117 0.000 1.096 259 F CA 1.568 59.635 58.000 0.111 0.000 1.255 259 F CB -0.454 38.661 39.000 0.192 0.000 0.997 259 F HN -0.009 nan 8.300 nan 0.000 0.479 260 R N 0.204 120.644 120.500 -0.101 0.000 2.170 260 R HA -0.249 4.091 4.340 0.000 0.000 0.242 260 R C 2.184 178.377 176.300 -0.179 0.000 1.145 260 R CA 1.672 57.645 56.100 -0.211 0.000 0.984 260 R CB -2.023 28.259 30.300 -0.030 0.000 0.869 260 R HN 0.543 nan 8.270 nan 0.000 0.455 261 F N 1.603 121.434 119.950 -0.200 0.000 2.146 261 F HA -0.139 4.388 4.527 0.000 0.000 0.298 261 F C 1.897 177.596 175.800 -0.168 0.000 1.096 261 F CA 1.611 59.520 58.000 -0.151 0.000 1.275 261 F CB -0.393 38.537 39.000 -0.116 0.000 1.008 261 F HN -0.133 nan 8.300 nan 0.000 0.480 262 T N 0.141 114.465 114.554 -0.383 0.000 2.942 262 T HA -0.166 4.184 4.350 0.000 0.000 0.265 262 T C 1.880 176.343 174.700 -0.394 0.000 1.062 262 T CA 1.310 63.148 62.100 -0.436 0.000 1.139 262 T CB -0.265 68.505 68.868 -0.163 0.000 0.883 262 T HN 0.461 nan 8.240 nan 0.000 0.468 263 Q N 0.535 119.973 119.800 -0.603 0.000 2.172 263 Q HA 0.002 4.342 4.340 0.000 0.000 0.200 263 Q C 2.475 178.320 176.000 -0.258 0.000 0.964 263 Q CA 1.057 56.597 55.803 -0.439 0.000 0.855 263 Q CB -0.208 28.139 28.738 -0.651 0.000 0.918 263 Q HN 0.515 nan 8.270 nan 0.000 0.444 264 A N 0.786 123.437 122.820 -0.281 0.000 1.865 264 A HA -0.165 4.155 4.320 0.000 0.000 0.217 264 A C 2.272 179.743 177.584 -0.190 0.000 1.191 264 A CA 1.865 53.786 52.037 -0.194 0.000 0.623 264 A CB -1.475 17.423 19.000 -0.169 0.000 0.826 264 A HN 0.588 nan 8.150 nan 0.000 0.444 265 G N -0.410 108.222 108.800 -0.280 0.000 2.418 265 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 265 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 265 G C 2.001 176.826 174.900 -0.125 0.000 1.158 265 G CA 1.937 46.902 45.100 -0.225 0.000 0.771 265 G HN 0.939 nan 8.290 nan 0.000 0.545 266 S N 0.796 116.436 115.700 -0.100 0.000 2.419 266 S HA -0.092 4.378 4.470 0.000 0.000 0.233 266 S C 1.989 176.549 174.600 -0.065 0.000 1.016 266 S CA 1.711 59.882 58.200 -0.049 0.000 0.974 266 S CB -0.367 62.819 63.200 -0.023 0.000 0.786 266 S HN 0.610 nan 8.310 nan 0.000 0.492 267 E N 0.776 120.930 120.200 -0.076 0.000 2.274 267 E HA -0.045 4.305 4.350 0.000 0.000 0.194 267 E C 2.007 178.579 176.600 -0.046 0.000 0.996 267 E CA 1.350 57.715 56.400 -0.058 0.000 0.840 267 E CB -0.174 29.493 29.700 -0.055 0.000 0.772 267 E HN 0.750 nan 8.360 nan 0.000 0.491 268 V N -2.907 116.978 119.914 -0.048 0.000 3.621 268 V HA 0.117 4.237 4.120 0.000 0.000 0.263 268 V C 2.143 178.220 176.094 -0.027 0.000 1.272 268 V CA 0.486 62.767 62.300 -0.033 0.000 1.080 268 V CB 0.656 32.460 31.823 -0.031 0.000 0.816 268 V HN 0.046 nan 8.190 nan 0.000 0.451 269 S N 1.815 117.495 115.700 -0.033 0.000 2.390 269 S HA -0.331 4.139 4.470 0.000 0.000 0.234 269 S C 2.184 176.776 174.600 -0.014 0.000 1.063 269 S CA 2.854 61.041 58.200 -0.022 0.000 1.108 269 S CB -0.616 62.574 63.200 -0.018 0.000 0.975 269 S HN 1.068 nan 8.310 nan 0.000 0.442 270 A N 1.250 124.060 122.820 -0.016 0.000 1.877 270 A HA 0.038 4.358 4.320 0.000 0.000 0.216 270 A C 2.119 179.699 177.584 -0.008 0.000 1.186 270 A CA 1.560 53.590 52.037 -0.011 0.000 0.620 270 A CB -0.835 18.157 19.000 -0.014 0.000 0.822 270 A HN 0.607 nan 8.150 nan 0.000 0.443 271 L N -0.668 120.549 121.223 -0.010 0.000 2.549 271 L HA -0.075 4.265 4.340 0.000 0.000 0.230 271 L C 1.564 178.432 176.870 -0.002 0.000 1.162 271 L CA 0.404 55.240 54.840 -0.006 0.000 0.834 271 L CB -0.463 41.592 42.059 -0.006 0.000 0.947 271 L HN 0.351 nan 8.230 nan 0.000 0.452 272 L N -0.226 120.995 121.223 -0.003 0.000 2.607 272 L HA 0.219 4.559 4.340 0.000 0.000 0.228 272 L C 1.115 177.988 176.870 0.004 0.000 1.123 272 L CA 0.081 54.922 54.840 0.002 0.000 0.890 272 L CB -0.084 41.974 42.059 -0.002 0.000 1.103 272 L HN 0.385 nan 8.230 nan 0.000 0.468 273 G N 1.519 110.321 108.800 0.003 0.000 2.326 273 G HA2 -0.252 3.708 3.960 0.000 0.000 0.286 273 G HA3 -0.252 3.708 3.960 0.000 0.000 0.286 273 G C -0.062 174.841 174.900 0.005 0.000 1.096 273 G CA -0.188 44.915 45.100 0.004 0.000 1.003 273 G HN 0.375 nan 8.290 nan 0.000 0.503 274 R N -0.837 119.666 120.500 0.004 0.000 2.670 274 R HA 0.598 4.938 4.340 0.000 0.000 0.289 274 R C 0.473 176.778 176.300 0.008 0.000 0.965 274 R CA -1.126 54.978 56.100 0.007 0.000 0.899 274 R CB 1.612 31.916 30.300 0.007 0.000 1.173 274 R HN 0.253 nan 8.270 nan 0.000 0.456 275 I N 4.278 124.854 120.570 0.011 0.000 2.556 275 I HA 0.086 4.256 4.170 0.000 0.000 0.284 275 I C -1.634 174.493 176.117 0.017 0.000 1.114 275 I CA -1.581 59.726 61.300 0.012 0.000 1.418 275 I CB 0.382 38.389 38.000 0.013 0.000 1.394 275 I HN 0.258 nan 8.210 nan 0.000 0.552 276 P HA 0.051 nan 4.420 nan 0.000 0.271 276 P C -0.282 177.041 177.300 0.038 0.000 1.218 276 P CA -0.175 62.938 63.100 0.022 0.000 0.780 276 P CB 1.129 32.834 31.700 0.008 0.000 0.901 277 S N 1.362 117.100 115.700 0.063 0.000 2.481 277 S HA 0.606 5.076 4.470 0.000 0.000 0.267 277 S C 0.270 174.924 174.600 0.090 0.000 1.174 277 S CA -0.242 58.005 58.200 0.077 0.000 1.027 277 S CB 0.027 63.287 63.200 0.101 0.000 1.117 277 S HN 0.600 nan 8.310 nan 0.000 0.495 278 A N -0.150 122.735 122.820 0.108 0.000 2.313 278 A HA 0.508 4.828 4.320 0.000 0.000 0.261 278 A C 0.938 178.626 177.584 0.173 0.000 1.090 278 A CA 0.133 52.237 52.037 0.111 0.000 0.807 278 A CB -0.401 18.657 19.000 0.096 0.000 1.055 278 A HN 1.599 nan 8.150 nan 0.000 0.492 279 V N -0.181 119.809 119.914 0.125 0.000 3.292 279 V HA -0.322 3.798 4.120 0.000 0.000 0.184 279 V C 1.765 177.815 176.094 -0.073 0.000 0.459 279 V CA 1.849 64.210 62.300 0.102 0.000 1.088 279 V CB -2.511 29.463 31.823 0.251 0.000 1.239 279 V HN 2.884 nan 8.190 nan 0.000 1.148 280 G N -2.852 105.910 108.800 -0.062 0.000 2.241 280 G HA2 -0.345 3.615 3.960 0.000 0.000 0.244 280 G HA3 -0.345 3.615 3.960 0.000 0.000 0.244 280 G C -0.006 174.779 174.900 -0.191 0.000 0.998 280 G CA 0.245 45.252 45.100 -0.154 0.000 0.621 280 G HN 0.838 nan 8.290 nan 0.000 0.519 281 Y N 2.580 122.906 120.300 0.043 0.000 2.546 281 Y HA 0.324 4.874 4.550 -0.000 0.000 0.351 281 Y C 1.559 177.467 175.900 0.014 0.000 1.266 281 Y CA 0.500 58.620 58.100 0.033 0.000 1.487 281 Y CB 0.365 38.856 38.460 0.052 0.000 1.365 281 Y HN 0.491 nan 8.280 nan 0.000 0.642 282 Q N 2.997 122.906 119.800 0.181 0.000 2.354 282 Q HA 0.155 4.495 4.340 0.000 0.000 0.244 282 Q C -2.282 173.773 176.000 0.091 0.000 0.969 282 Q CA -1.861 53.993 55.803 0.086 0.000 0.885 282 Q CB 0.921 29.685 28.738 0.044 0.000 1.241 282 Q HN 0.356 nan 8.270 nan 0.000 0.461 283 P HA -0.072 nan 4.420 nan 0.000 0.230 283 P C 0.874 178.201 177.300 0.045 0.000 1.158 283 P CA 1.232 64.364 63.100 0.053 0.000 0.769 283 P CB -0.026 31.696 31.700 0.037 0.000 0.807 284 T N -4.286 110.291 114.554 0.039 0.000 3.145 284 T HA 0.174 4.524 4.350 0.000 0.000 0.255 284 T C 1.487 176.211 174.700 0.040 0.000 1.039 284 T CA -0.376 61.745 62.100 0.034 0.000 0.928 284 T CB -0.924 67.958 68.868 0.023 0.000 1.029 284 T HN -0.066 nan 8.240 nan 0.000 0.554 285 L N 1.345 122.593 121.223 0.042 0.000 1.976 285 L HA -0.177 4.163 4.340 0.000 0.000 0.223 285 L C 2.857 179.763 176.870 0.060 0.000 1.081 285 L CA 2.319 57.179 54.840 0.032 0.000 0.784 285 L CB -0.842 41.223 42.059 0.009 0.000 0.896 285 L HN 0.410 nan 8.230 nan 0.000 0.438 286 A N -0.784 122.074 122.820 0.064 0.000 1.877 286 A HA -0.250 4.070 4.320 0.000 0.000 0.216 286 A C 2.321 179.970 177.584 0.109 0.000 1.186 286 A CA 2.591 54.685 52.037 0.096 0.000 0.620 286 A CB -1.317 17.731 19.000 0.080 0.000 0.822 286 A HN 0.690 nan 8.150 nan 0.000 0.443 287 T N -2.264 112.340 114.554 0.082 0.000 2.821 287 T HA -0.139 4.211 4.350 0.000 0.000 0.267 287 T C 1.399 176.156 174.700 0.094 0.000 1.046 287 T CA 1.451 63.598 62.100 0.078 0.000 1.139 287 T CB -0.500 68.401 68.868 0.055 0.000 0.871 287 T HN 0.338 nan 8.240 nan 0.000 0.454 288 D N 0.842 121.307 120.400 0.109 0.000 2.149 288 D HA -0.048 4.592 4.640 0.000 0.000 0.198 288 D C 1.925 178.390 176.300 0.275 0.000 0.990 288 D CA 1.032 55.138 54.000 0.177 0.000 0.839 288 D CB -0.340 40.529 40.800 0.115 0.000 0.948 288 D HN 0.426 nan 8.370 nan 0.000 0.460 289 M N -0.057 119.675 119.600 0.221 0.000 2.236 289 M HA -0.011 4.469 4.480 0.000 0.000 0.266 289 M C 1.985 178.258 176.300 -0.046 0.000 1.070 289 M CA 1.621 57.014 55.300 0.156 0.000 1.137 289 M CB -0.033 32.659 32.600 0.154 0.000 1.378 289 M HN -0.010 nan 8.290 nan 0.000 0.426 290 G N -0.122 108.704 108.800 0.044 0.000 2.433 290 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 290 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 290 G C 1.393 176.279 174.900 -0.024 0.000 1.186 290 G CA 1.536 46.658 45.100 0.035 0.000 0.779 290 G HN 0.585 nan 8.290 nan 0.000 0.543 291 T N -1.634 112.924 114.554 0.008 0.000 3.025 291 T HA 0.007 4.357 4.350 0.000 0.000 0.270 291 T C 2.119 176.782 174.700 -0.063 0.000 1.126 291 T CA 1.503 63.600 62.100 -0.004 0.000 1.105 291 T CB -0.048 68.838 68.868 0.030 0.000 0.884 291 T HN 0.295 nan 8.240 nan 0.000 0.522 292 M N -0.142 119.377 119.600 -0.135 0.000 2.369 292 M HA 0.067 4.547 4.480 0.000 0.000 0.254 292 M C 2.378 178.513 176.300 -0.275 0.000 1.136 292 M CA 0.728 55.874 55.300 -0.257 0.000 1.190 292 M CB -0.008 32.290 32.600 -0.503 0.000 1.289 292 M HN -0.006 nan 8.290 nan 0.000 0.468 293 Q N 0.899 120.485 119.800 -0.357 0.000 2.217 293 Q HA -0.203 4.137 4.340 0.000 0.000 0.209 293 Q C 1.591 177.459 176.000 -0.220 0.000 0.988 293 Q CA 1.418 56.986 55.803 -0.392 0.000 0.878 293 Q CB -0.484 27.739 28.738 -0.859 0.000 0.909 293 Q HN 0.589 nan 8.270 nan 0.000 0.424 294 E N 0.020 120.134 120.200 -0.142 0.000 2.418 294 E HA -0.090 4.260 4.350 0.000 0.000 0.197 294 E C 1.724 178.294 176.600 -0.051 0.000 1.026 294 E CA 0.377 56.751 56.400 -0.044 0.000 0.862 294 E CB 0.066 29.770 29.700 0.008 0.000 0.799 294 E HN 0.349 nan 8.360 nan 0.000 0.518 295 R N 0.005 120.453 120.500 -0.086 0.000 2.156 295 R HA 0.198 4.538 4.340 0.000 0.000 0.207 295 R C 1.111 177.357 176.300 -0.090 0.000 1.040 295 R CA 0.121 56.173 56.100 -0.079 0.000 1.013 295 R CB 0.233 30.476 30.300 -0.095 0.000 0.931 295 R HN 0.044 nan 8.270 nan 0.000 0.465 296 I N 2.187 122.686 120.570 -0.119 0.000 2.472 296 I HA -0.018 4.152 4.170 0.000 0.000 0.305 296 I C -0.017 176.047 176.117 -0.088 0.000 1.196 296 I CA 0.564 61.791 61.300 -0.122 0.000 1.613 296 I CB -0.132 37.773 38.000 -0.158 0.000 1.501 296 I HN 0.011 nan 8.210 nan 0.000 0.754 297 T N 2.836 117.349 114.554 -0.068 0.000 2.885 297 T HA 0.255 4.605 4.350 0.000 0.000 0.322 297 T C -0.339 174.337 174.700 -0.041 0.000 1.387 297 T CA -0.377 61.695 62.100 -0.048 0.000 1.041 297 T CB 1.658 70.510 68.868 -0.027 0.000 1.287 297 T HN 0.270 nan 8.240 nan 0.000 0.491 298 T N 3.282 117.815 114.554 -0.035 0.000 2.897 298 T HA 0.598 4.948 4.350 0.000 0.000 0.294 298 T C 0.551 175.234 174.700 -0.028 0.000 1.004 298 T CA -0.207 61.875 62.100 -0.030 0.000 1.106 298 T CB 0.856 69.708 68.868 -0.027 0.000 0.949 298 T HN 0.872 nan 8.240 nan 0.000 0.520 299 T N -0.110 114.428 114.554 -0.027 0.000 2.676 299 T HA 0.476 4.826 4.350 0.000 0.000 0.269 299 T C 0.926 175.607 174.700 -0.032 0.000 0.952 299 T CA -0.990 61.091 62.100 -0.032 0.000 1.040 299 T CB 1.312 70.163 68.868 -0.030 0.000 1.352 299 T HN 0.390 nan 8.240 nan 0.000 0.554 300 K N 0.062 120.441 120.400 -0.036 0.000 2.305 300 K HA 0.127 4.447 4.320 0.000 0.000 0.199 300 K C 2.191 178.775 176.600 -0.026 0.000 1.047 300 K CA 0.472 56.739 56.287 -0.033 0.000 0.976 300 K CB 0.009 32.486 32.500 -0.039 0.000 0.765 300 K HN 0.429 nan 8.250 nan 0.000 0.474 301 K N 0.538 120.922 120.400 -0.026 0.000 2.001 301 K HA -0.032 4.288 4.320 0.000 0.000 0.208 301 K C 1.226 177.815 176.600 -0.018 0.000 1.048 301 K CA 1.155 57.427 56.287 -0.024 0.000 0.932 301 K CB 0.080 32.562 32.500 -0.030 0.000 0.715 301 K HN 0.167 nan 8.250 nan 0.000 0.437 302 G N -0.560 108.231 108.800 -0.014 0.000 2.766 302 G HA2 0.383 4.343 3.960 0.000 0.000 0.288 302 G HA3 0.383 4.343 3.960 0.000 0.000 0.288 302 G C -1.602 173.298 174.900 -0.001 0.000 1.408 302 G CA -0.457 44.642 45.100 -0.000 0.000 0.852 302 G HN 0.014 nan 8.290 nan 0.000 0.487 303 S N -0.906 114.801 115.700 0.011 0.000 2.521 303 S HA 0.731 5.201 4.470 0.000 0.000 0.295 303 S C -0.789 173.808 174.600 -0.005 0.000 1.098 303 S CA -0.686 57.515 58.200 0.001 0.000 0.999 303 S CB 0.752 63.958 63.200 0.009 0.000 1.034 303 S HN 0.442 nan 8.310 nan 0.000 0.483 304 I N 3.252 123.802 120.570 -0.033 0.000 2.474 304 I HA 0.372 4.542 4.170 0.000 0.000 0.294 304 I C -0.448 175.607 176.117 -0.104 0.000 1.005 304 I CA -0.587 60.674 61.300 -0.065 0.000 1.113 304 I CB 2.503 40.461 38.000 -0.070 0.000 1.289 304 I HN 0.518 nan 8.210 nan 0.000 0.436 305 T N 3.500 117.954 114.554 -0.166 0.000 3.060 305 T HA 0.246 4.596 4.350 0.000 0.000 0.367 305 T C -0.189 174.324 174.700 -0.312 0.000 1.229 305 T CA -0.652 61.327 62.100 -0.202 0.000 1.104 305 T CB 0.520 69.270 68.868 -0.197 0.000 1.083 305 T HN 0.600 nan 8.240 nan 0.000 0.524 306 S N 1.921 117.462 115.700 -0.264 0.000 2.475 306 S HA 0.592 5.062 4.470 0.000 0.000 0.281 306 S C 0.027 174.447 174.600 -0.300 0.000 1.198 306 S CA -0.835 57.185 58.200 -0.300 0.000 1.063 306 S CB 1.270 64.340 63.200 -0.217 0.000 0.972 306 S HN 0.385 nan 8.310 nan 0.000 0.486 307 V N 3.875 123.596 119.914 -0.322 0.000 2.326 307 V HA 0.351 4.471 4.120 0.000 0.000 0.281 307 V C -0.350 175.674 176.094 -0.117 0.000 1.015 307 V CA -0.482 61.709 62.300 -0.183 0.000 0.823 307 V CB 0.927 32.764 31.823 0.023 0.000 1.009 307 V HN 0.902 nan 8.190 nan 0.000 0.436 308 Q N 3.101 122.809 119.800 -0.154 0.000 2.322 308 Q HA 0.742 5.082 4.340 0.000 0.000 0.265 308 Q C -0.140 175.771 176.000 -0.149 0.000 0.985 308 Q CA -0.523 55.186 55.803 -0.158 0.000 0.849 308 Q CB 2.568 31.189 28.738 -0.196 0.000 1.274 308 Q HN 0.843 nan 8.270 nan 0.000 0.449 309 A N 3.569 126.331 122.820 -0.096 0.000 2.363 309 A HA 0.576 4.896 4.320 0.000 0.000 0.270 309 A C -0.425 177.095 177.584 -0.108 0.000 1.121 309 A CA -0.282 51.717 52.037 -0.064 0.000 0.800 309 A CB 0.213 19.224 19.000 0.019 0.000 1.052 309 A HN 0.754 nan 8.150 nan 0.000 0.493 310 I N 2.563 123.021 120.570 -0.187 0.000 2.468 310 I HA 0.172 4.342 4.170 0.000 0.000 0.284 310 I C -0.782 175.290 176.117 -0.075 0.000 1.038 310 I CA -0.478 60.684 61.300 -0.230 0.000 1.083 310 I CB 1.304 38.842 38.000 -0.770 0.000 1.223 310 I HN 0.753 nan 8.210 nan 0.000 0.443 311 Y N 7.133 127.392 120.300 -0.069 0.000 2.397 311 Y HA 0.373 4.923 4.550 -0.000 0.000 0.335 311 Y C -0.361 175.359 175.900 -0.301 0.000 1.213 311 Y CA -0.039 57.956 58.100 -0.176 0.000 1.391 311 Y CB 0.959 39.260 38.460 -0.265 0.000 1.293 311 Y HN 0.263 nan 8.280 nan 0.000 0.557 312 V N 8.699 128.036 119.914 -0.961 0.000 2.305 312 V HA 0.278 4.398 4.120 0.000 0.000 0.275 312 V C -2.303 173.201 176.094 -0.984 0.000 1.020 312 V CA -2.084 59.804 62.300 -0.687 0.000 0.811 312 V CB 0.918 32.592 31.823 -0.248 0.000 1.031 312 V HN 0.719 nan 8.190 nan 0.000 0.439 313 P HA 0.061 nan 4.420 nan 0.000 0.262 313 P C 0.772 177.955 177.300 -0.194 0.000 1.182 313 P CA 0.995 63.852 63.100 -0.405 0.000 0.761 313 P CB 0.633 32.312 31.700 -0.035 0.000 0.795 314 A N 3.601 126.365 122.820 -0.094 0.000 2.799 314 A HA -0.287 4.033 4.320 0.000 0.000 0.274 314 A C 1.064 178.605 177.584 -0.072 0.000 1.393 314 A CA 1.474 53.486 52.037 -0.041 0.000 0.909 314 A CB -2.525 16.474 19.000 -0.002 0.000 1.012 314 A HN 0.590 nan 8.150 nan 0.000 0.653 315 D N -1.884 118.432 120.400 -0.140 0.000 3.046 315 D HA -0.170 4.470 4.640 0.000 0.000 0.210 315 D C -0.181 176.077 176.300 -0.070 0.000 1.124 315 D CA 1.945 55.881 54.000 -0.106 0.000 0.986 315 D CB -1.143 39.623 40.800 -0.056 0.000 1.118 315 D HN 0.897 nan 8.370 nan 0.000 0.416 316 D N 0.415 120.777 120.400 -0.063 0.000 2.422 316 D HA 0.181 4.821 4.640 0.000 0.000 0.227 316 D C 1.544 177.841 176.300 -0.005 0.000 1.190 316 D CA -0.298 53.687 54.000 -0.025 0.000 0.905 316 D CB 0.179 40.978 40.800 -0.002 0.000 1.034 316 D HN 0.153 nan 8.370 nan 0.000 0.507 317 L N 2.677 123.903 121.223 0.004 0.000 2.447 317 L HA -0.162 4.178 4.340 0.000 0.000 0.225 317 L C 2.282 179.186 176.870 0.057 0.000 1.148 317 L CA 1.400 56.272 54.840 0.053 0.000 0.808 317 L CB -0.296 41.777 42.059 0.024 0.000 0.928 317 L HN 0.472 nan 8.230 nan 0.000 0.448 318 T N -5.147 109.418 114.554 0.018 0.000 3.100 318 T HA -0.051 4.299 4.350 0.000 0.000 0.253 318 T C 0.812 175.545 174.700 0.054 0.000 1.118 318 T CA -0.430 61.679 62.100 0.014 0.000 1.058 318 T CB -0.291 68.571 68.868 -0.009 0.000 0.953 318 T HN 0.210 nan 8.240 nan 0.000 0.515 319 D N 3.172 123.617 120.400 0.074 0.000 2.583 319 D HA -0.021 4.619 4.640 0.000 0.000 0.232 319 D C -1.304 175.037 176.300 0.070 0.000 1.128 319 D CA -1.075 52.993 54.000 0.113 0.000 0.859 319 D CB 1.286 42.161 40.800 0.126 0.000 1.169 319 D HN 0.042 nan 8.370 nan 0.000 0.481 320 P HA -0.245 nan 4.420 nan 0.000 0.219 320 P C 0.790 177.976 177.300 -0.189 0.000 1.153 320 P CA 2.041 65.075 63.100 -0.110 0.000 0.865 320 P CB 0.114 31.701 31.700 -0.188 0.000 0.788 321 A N -0.437 122.218 122.820 -0.275 0.000 1.832 321 A HA -0.046 4.274 4.320 0.000 0.000 0.214 321 A C -0.067 177.600 177.584 0.139 0.000 1.204 321 A CA 1.836 53.834 52.037 -0.065 0.000 0.606 321 A CB -2.066 16.999 19.000 0.108 0.000 0.849 321 A HN 0.194 nan 8.150 nan 0.000 0.445 322 P HA -0.171 nan 4.420 nan 0.000 0.215 322 P C 1.704 179.293 177.300 0.480 0.000 1.157 322 P CA 2.245 65.555 63.100 0.351 0.000 0.868 322 P CB -0.282 31.627 31.700 0.348 0.000 0.788 323 A N -0.356 122.692 122.820 0.379 0.000 1.892 323 A HA -0.219 4.101 4.320 0.000 0.000 0.218 323 A C 2.335 180.123 177.584 0.340 0.000 1.188 323 A CA 2.848 55.099 52.037 0.357 0.000 0.631 323 A CB -2.075 17.006 19.000 0.135 0.000 0.822 323 A HN 0.220 nan 8.150 nan 0.000 0.447 324 T N -0.331 114.350 114.554 0.211 0.000 2.962 324 T HA -0.058 4.292 4.350 0.000 0.000 0.270 324 T C 1.698 176.543 174.700 0.242 0.000 1.088 324 T CA 1.705 63.910 62.100 0.174 0.000 1.127 324 T CB -0.337 68.599 68.868 0.112 0.000 0.883 324 T HN 0.606 nan 8.240 nan 0.000 0.493 325 T N 1.214 115.944 114.554 0.293 0.000 3.043 325 T HA 0.145 4.495 4.350 0.000 0.000 0.263 325 T C 1.439 176.303 174.700 0.272 0.000 1.094 325 T CA 0.197 62.465 62.100 0.281 0.000 1.127 325 T CB -0.340 68.594 68.868 0.111 0.000 0.905 325 T HN 0.312 nan 8.240 nan 0.000 0.490 326 F N 2.395 122.515 119.950 0.283 0.000 2.091 326 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 326 F C 2.706 178.546 175.800 0.067 0.000 1.103 326 F CA 1.151 59.270 58.000 0.197 0.000 1.228 326 F CB -0.707 38.307 39.000 0.024 0.000 0.984 326 F HN 0.160 nan 8.300 nan 0.000 0.477 327 A N -1.231 121.666 122.820 0.129 0.000 2.076 327 A HA -0.200 4.120 4.320 0.000 0.000 0.220 327 A C 1.609 179.089 177.584 -0.173 0.000 1.160 327 A CA 1.512 53.506 52.037 -0.072 0.000 0.653 327 A CB -0.950 17.920 19.000 -0.217 0.000 0.801 327 A HN 0.489 nan 8.150 nan 0.000 0.455 328 H N -1.149 117.974 119.070 0.087 0.000 2.533 328 H HA 0.334 4.890 4.556 -0.000 0.000 0.271 328 H C -0.128 175.212 175.328 0.021 0.000 1.000 328 H CA 0.257 56.327 56.048 0.037 0.000 1.149 328 H CB -0.133 29.631 29.762 0.005 0.000 1.375 328 H HN 0.363 nan 8.280 nan 0.000 0.582 329 L N -0.001 121.292 121.223 0.118 0.000 2.319 329 L HA 0.250 4.590 4.340 0.000 0.000 0.267 329 L C 0.835 177.746 176.870 0.068 0.000 1.011 329 L CA -0.616 54.271 54.840 0.079 0.000 0.818 329 L CB 1.930 44.046 42.059 0.095 0.000 1.316 329 L HN -0.133 nan 8.230 nan 0.000 0.432 330 D N 0.635 121.058 120.400 0.039 0.000 2.388 330 D HA 0.241 4.881 4.640 0.000 0.000 0.208 330 D C 0.148 176.483 176.300 0.059 0.000 1.035 330 D CA 0.498 54.524 54.000 0.043 0.000 0.875 330 D CB 1.271 42.087 40.800 0.027 0.000 0.984 330 D HN 0.514 nan 8.370 nan 0.000 0.508 331 A N 0.607 123.457 122.820 0.050 0.000 2.520 331 A HA 0.589 4.909 4.320 0.000 0.000 0.298 331 A C -0.572 177.071 177.584 0.097 0.000 1.051 331 A CA -0.561 51.530 52.037 0.090 0.000 0.690 331 A CB 1.818 20.890 19.000 0.118 0.000 1.281 331 A HN -0.028 nan 8.150 nan 0.000 0.402 332 T N -1.058 113.597 114.554 0.168 0.000 2.921 332 T HA 0.695 5.045 4.350 0.000 0.000 0.297 332 T C -0.718 174.128 174.700 0.243 0.000 1.013 332 T CA -0.428 61.805 62.100 0.223 0.000 0.990 332 T CB 1.543 70.583 68.868 0.287 0.000 1.023 332 T HN 0.540 nan 8.240 nan 0.000 0.447 333 T N 3.292 118.008 114.554 0.270 0.000 2.821 333 T HA 0.473 4.823 4.350 0.000 0.000 0.307 333 T C -0.132 174.720 174.700 0.254 0.000 1.034 333 T CA -0.485 61.771 62.100 0.260 0.000 0.953 333 T CB 0.688 69.739 68.868 0.306 0.000 0.968 333 T HN 0.662 nan 8.240 nan 0.000 0.462 334 V N 5.676 125.707 119.914 0.196 0.000 2.385 334 V HA 0.329 4.449 4.120 0.000 0.000 0.269 334 V C -0.109 176.065 176.094 0.133 0.000 1.043 334 V CA -0.756 61.650 62.300 0.178 0.000 0.906 334 V CB 0.623 32.505 31.823 0.099 0.000 0.995 334 V HN 0.616 nan 8.190 nan 0.000 0.467 335 L N 4.478 125.785 121.223 0.140 0.000 2.379 335 L HA 0.644 4.984 4.340 0.000 0.000 0.269 335 L C 0.359 177.265 176.870 0.060 0.000 1.084 335 L CA 0.573 55.471 54.840 0.098 0.000 0.802 335 L CB 1.727 43.856 42.059 0.117 0.000 1.175 335 L HN 0.724 nan 8.230 nan 0.000 0.448 336 S N 1.762 117.477 115.700 0.025 0.000 2.571 336 S HA 0.418 4.888 4.470 0.000 0.000 0.284 336 S C 0.695 175.284 174.600 -0.018 0.000 1.128 336 S CA -0.780 57.421 58.200 0.003 0.000 0.970 336 S CB 1.203 64.398 63.200 -0.009 0.000 1.039 336 S HN 0.711 nan 8.310 nan 0.000 0.485 337 R N 3.129 123.622 120.500 -0.012 0.000 2.189 337 R HA 0.005 4.345 4.340 0.000 0.000 0.223 337 R C 1.774 178.053 176.300 -0.035 0.000 1.092 337 R CA 1.623 57.714 56.100 -0.015 0.000 0.989 337 R CB -0.588 29.711 30.300 -0.001 0.000 0.876 337 R HN 0.745 nan 8.270 nan 0.000 0.457 338 A N 0.851 123.650 122.820 -0.035 0.000 1.968 338 A HA -0.031 4.289 4.320 0.000 0.000 0.217 338 A C 2.011 179.561 177.584 -0.057 0.000 1.169 338 A CA 0.913 52.927 52.037 -0.040 0.000 0.638 338 A CB -0.210 18.770 19.000 -0.034 0.000 0.812 338 A HN 0.338 nan 8.150 nan 0.000 0.446 339 I N -0.544 119.984 120.570 -0.070 0.000 2.235 339 I HA -0.159 4.011 4.170 0.000 0.000 0.241 339 I C 2.990 178.997 176.117 -0.184 0.000 1.085 339 I CA 0.842 62.083 61.300 -0.097 0.000 1.378 339 I CB -0.479 37.472 38.000 -0.082 0.000 1.076 339 I HN 0.311 nan 8.210 nan 0.000 0.415 340 A N 0.586 123.260 122.820 -0.243 0.000 1.927 340 A HA -0.334 3.986 4.320 0.000 0.000 0.220 340 A C 2.281 179.700 177.584 -0.276 0.000 1.185 340 A CA 2.339 54.110 52.037 -0.444 0.000 0.639 340 A CB -0.893 17.979 19.000 -0.213 0.000 0.820 340 A HN 0.549 nan 8.150 nan 0.000 0.451 341 E N -0.301 119.826 120.200 -0.122 0.000 2.209 341 E HA -0.167 4.183 4.350 0.000 0.000 0.196 341 E C 1.552 178.118 176.600 -0.057 0.000 0.993 341 E CA 1.019 57.387 56.400 -0.054 0.000 0.819 341 E CB -0.190 29.490 29.700 -0.032 0.000 0.745 341 E HN 0.690 nan 8.360 nan 0.000 0.477 342 L N -0.820 120.349 121.223 -0.090 0.000 2.554 342 L HA 0.141 4.481 4.340 0.000 0.000 0.226 342 L C 1.430 178.256 176.870 -0.073 0.000 1.137 342 L CA 0.517 55.313 54.840 -0.074 0.000 0.863 342 L CB 0.092 42.107 42.059 -0.073 0.000 0.985 342 L HN 0.400 nan 8.230 nan 0.000 0.451 343 G N 0.688 109.434 108.800 -0.089 0.000 2.131 343 G HA2 -0.219 3.741 3.960 0.000 0.000 0.223 343 G HA3 -0.219 3.741 3.960 0.000 0.000 0.223 343 G C 0.168 175.092 174.900 0.039 0.000 0.990 343 G CA -0.519 44.602 45.100 0.036 0.000 0.671 343 G HN 0.177 nan 8.290 nan 0.000 0.521 344 I N 1.323 121.783 120.570 -0.183 0.000 2.287 344 I HA 0.405 4.575 4.170 0.000 0.000 0.290 344 I C -0.203 175.712 176.117 -0.336 0.000 1.069 344 I CA -0.471 60.775 61.300 -0.090 0.000 1.237 344 I CB -0.057 37.910 38.000 -0.055 0.000 1.418 344 I HN 0.044 nan 8.210 nan 0.000 0.481 345 Y N 7.189 127.453 120.300 -0.060 0.000 2.429 345 Y HA 0.433 4.983 4.550 -0.000 0.000 0.342 345 Y C -2.004 173.696 175.900 -0.333 0.000 1.004 345 Y CA -2.763 55.227 58.100 -0.185 0.000 1.075 345 Y CB 1.486 39.816 38.460 -0.216 0.000 1.214 345 Y HN 0.389 nan 8.280 nan 0.000 0.455 346 P HA 0.072 nan 4.420 nan 0.000 0.268 346 P C -0.441 176.844 177.300 -0.024 0.000 1.205 346 P CA -0.122 62.923 63.100 -0.091 0.000 0.771 346 P CB 0.887 32.584 31.700 -0.005 0.000 0.858 347 A N 3.808 126.620 122.820 -0.013 0.000 2.810 347 A HA 0.180 4.500 4.320 0.000 0.000 0.247 347 A C 0.576 178.159 177.584 -0.002 0.000 1.576 347 A CA -0.211 51.773 52.037 -0.089 0.000 1.294 347 A CB -1.223 17.687 19.000 -0.150 0.000 0.976 347 A HN 0.385 nan 8.150 nan 0.000 0.631 348 V N 0.824 120.756 119.914 0.031 0.000 2.715 348 V HA 0.042 4.162 4.120 0.000 0.000 0.299 348 V C 0.417 176.528 176.094 0.027 0.000 1.054 348 V CA -0.290 62.044 62.300 0.057 0.000 1.077 348 V CB 1.228 33.099 31.823 0.080 0.000 0.972 348 V HN 0.592 nan 8.190 nan 0.000 0.484 349 D N 6.570 126.990 120.400 0.033 0.000 2.380 349 D HA 0.241 4.881 4.640 0.000 0.000 0.230 349 D C -1.284 175.022 176.300 0.010 0.000 1.154 349 D CA -2.174 51.834 54.000 0.013 0.000 0.859 349 D CB 1.745 42.551 40.800 0.012 0.000 1.045 349 D HN 0.241 nan 8.370 nan 0.000 0.495 350 P HA -0.105 nan 4.420 nan 0.000 0.221 350 P C 0.993 178.277 177.300 -0.027 0.000 1.145 350 P CA 0.807 63.894 63.100 -0.022 0.000 0.795 350 P CB 0.335 32.012 31.700 -0.038 0.000 0.775 351 L N -1.373 119.837 121.223 -0.021 0.000 2.769 351 L HA 0.303 4.643 4.340 0.000 0.000 0.240 351 L C 1.085 177.938 176.870 -0.028 0.000 1.163 351 L CA 0.290 55.114 54.840 -0.028 0.000 0.962 351 L CB -0.135 41.907 42.059 -0.029 0.000 1.258 351 L HN -0.170 nan 8.230 nan 0.000 0.513 352 D N -1.012 119.379 120.400 -0.014 0.000 2.562 352 D HA 0.112 4.752 4.640 0.000 0.000 0.246 352 D C -0.060 176.251 176.300 0.019 0.000 1.347 352 D CA 0.194 54.184 54.000 -0.017 0.000 0.800 352 D CB 0.807 41.591 40.800 -0.026 0.000 1.111 352 D HN -0.098 nan 8.370 nan 0.000 0.508 353 S N -0.206 115.513 115.700 0.032 0.000 2.475 353 S HA 0.728 5.198 4.470 0.000 0.000 0.298 353 S C -0.141 174.497 174.600 0.064 0.000 1.119 353 S CA -0.520 57.724 58.200 0.073 0.000 1.085 353 S CB 1.743 64.992 63.200 0.082 0.000 1.028 353 S HN 0.312 nan 8.310 nan 0.000 0.489 354 T N -0.833 113.778 114.554 0.096 0.000 2.864 354 T HA 0.796 5.146 4.350 0.000 0.000 0.299 354 T C -0.826 173.935 174.700 0.102 0.000 1.166 354 T CA -0.820 61.324 62.100 0.074 0.000 1.007 354 T CB 1.804 70.707 68.868 0.058 0.000 1.219 354 T HN 0.437 nan 8.240 nan 0.000 0.506 355 S N -0.722 115.026 115.700 0.080 0.000 2.540 355 S HA 0.440 4.910 4.470 0.000 0.000 0.275 355 S C 0.605 175.245 174.600 0.067 0.000 1.123 355 S CA -0.829 57.425 58.200 0.091 0.000 0.907 355 S CB 1.953 65.209 63.200 0.094 0.000 1.081 355 S HN 0.937 nan 8.310 nan 0.000 0.476 356 R N 3.013 123.552 120.500 0.066 0.000 2.280 356 R HA 0.107 4.447 4.340 0.000 0.000 0.207 356 R C 1.409 177.737 176.300 0.048 0.000 1.043 356 R CA 1.494 57.626 56.100 0.053 0.000 1.006 356 R CB -0.417 29.912 30.300 0.048 0.000 0.885 356 R HN 0.830 nan 8.270 nan 0.000 0.467 357 I N -2.430 118.168 120.570 0.047 0.000 3.875 357 I HA 0.189 4.359 4.170 0.000 0.000 0.329 357 I C 0.240 176.371 176.117 0.024 0.000 1.295 357 I CA -0.243 61.078 61.300 0.034 0.000 1.129 357 I CB 0.277 38.296 38.000 0.032 0.000 1.008 357 I HN -0.057 nan 8.210 nan 0.000 0.413 358 M N 3.258 122.880 119.600 0.037 0.000 3.442 358 M HA 0.226 4.706 4.480 0.000 0.000 0.232 358 M C -0.739 175.697 176.300 0.226 0.000 1.508 358 M CA 0.675 56.007 55.300 0.053 0.000 1.647 358 M CB -1.326 31.272 32.600 -0.002 0.000 1.126 358 M HN 0.248 nan 8.290 nan 0.000 0.557 359 D N 2.433 122.928 120.400 0.158 0.000 2.787 359 D HA 0.390 5.030 4.640 0.000 0.000 0.246 359 D C -2.046 174.238 176.300 -0.027 0.000 1.150 359 D CA -1.715 52.323 54.000 0.062 0.000 0.864 359 D CB 2.637 43.447 40.800 0.016 0.000 1.481 359 D HN 0.048 nan 8.370 nan 0.000 0.509 360 P HA -0.123 nan 4.420 nan 0.000 0.216 360 P C 0.909 178.153 177.300 -0.094 0.000 1.150 360 P CA 1.004 63.960 63.100 -0.240 0.000 0.843 360 P CB 0.314 31.755 31.700 -0.433 0.000 0.787 361 N N -0.835 117.810 118.700 -0.093 0.000 2.520 361 N HA -0.017 4.723 4.740 0.000 0.000 0.185 361 N C 1.495 176.998 175.510 -0.013 0.000 1.068 361 N CA 0.620 53.644 53.050 -0.044 0.000 0.911 361 N CB 0.003 38.465 38.487 -0.042 0.000 0.961 361 N HN 0.243 nan 8.380 nan 0.000 0.446 362 I N -0.682 119.886 120.570 -0.003 0.000 3.812 362 I HA -0.060 4.110 4.170 0.000 0.000 0.292 362 I C 1.826 177.963 176.117 0.034 0.000 1.206 362 I CA 0.388 61.697 61.300 0.016 0.000 1.370 362 I CB 0.320 38.330 38.000 0.015 0.000 1.328 362 I HN -0.087 nan 8.210 nan 0.000 0.453 363 V N -1.279 118.656 119.914 0.034 0.000 3.644 363 V HA 0.600 4.720 4.120 0.000 0.000 0.267 363 V C 0.844 177.026 176.094 0.147 0.000 1.277 363 V CA 0.300 62.643 62.300 0.071 0.000 1.096 363 V CB -0.480 31.264 31.823 -0.132 0.000 0.828 363 V HN 0.456 nan 8.190 nan 0.000 0.446 364 G N 0.901 109.764 108.800 0.104 0.000 2.663 364 G HA2 -0.089 3.871 3.960 0.000 0.000 0.686 364 G HA3 -0.089 3.871 3.960 0.000 0.000 0.686 364 G C 0.288 175.278 174.900 0.150 0.000 1.246 364 G CA 0.053 45.218 45.100 0.109 0.000 0.795 364 G HN 1.059 nan 8.290 nan 0.000 0.627 365 S N -0.476 115.288 115.700 0.106 0.000 2.428 365 S HA -0.030 4.440 4.470 0.000 0.000 0.230 365 S C 1.697 176.405 174.600 0.180 0.000 1.014 365 S CA 1.635 59.912 58.200 0.129 0.000 0.957 365 S CB 0.068 63.305 63.200 0.063 0.000 0.784 365 S HN 0.841 nan 8.310 nan 0.000 0.499 366 E N 1.084 121.377 120.200 0.156 0.000 2.072 366 E HA -0.208 4.142 4.350 0.000 0.000 0.190 366 E C 1.987 178.705 176.600 0.197 0.000 0.982 366 E CA 0.860 57.347 56.400 0.145 0.000 0.803 366 E CB -0.234 29.528 29.700 0.103 0.000 0.755 366 E HN 0.816 nan 8.360 nan 0.000 0.453 367 H N -1.407 117.730 119.070 0.112 0.000 2.293 367 H HA -0.206 4.350 4.556 0.000 0.000 0.300 367 H C 2.042 177.434 175.328 0.106 0.000 1.082 367 H CA 1.767 57.877 56.048 0.104 0.000 1.308 367 H CB -0.062 29.762 29.762 0.104 0.000 1.375 367 H HN 0.232 nan 8.280 nan 0.000 0.495 368 Y N 1.389 121.800 120.300 0.185 0.000 2.181 368 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 368 Y C 1.718 177.659 175.900 0.069 0.000 1.146 368 Y CA 1.892 60.033 58.100 0.068 0.000 1.164 368 Y CB -0.103 38.371 38.460 0.022 0.000 0.982 368 Y HN 0.350 nan 8.280 nan 0.000 0.515 369 D N -1.007 119.553 120.400 0.266 0.000 2.224 369 D HA -0.131 4.509 4.640 0.000 0.000 0.205 369 D C 2.324 178.668 176.300 0.073 0.000 0.965 369 D CA 1.125 55.226 54.000 0.169 0.000 0.852 369 D CB -0.308 40.590 40.800 0.163 0.000 0.947 369 D HN 0.276 nan 8.370 nan 0.000 0.494 370 V N 1.185 121.151 119.914 0.087 0.000 2.283 370 V HA -0.184 3.936 4.120 0.000 0.000 0.243 370 V C 2.466 178.560 176.094 -0.002 0.000 1.039 370 V CA 1.684 64.027 62.300 0.070 0.000 1.016 370 V CB -0.819 31.072 31.823 0.114 0.000 0.650 370 V HN 0.189 nan 8.190 nan 0.000 0.449 371 A N 0.525 123.333 122.820 -0.020 0.000 1.849 371 A HA -0.247 4.073 4.320 0.000 0.000 0.217 371 A C 2.291 179.775 177.584 -0.166 0.000 1.202 371 A CA 1.964 53.936 52.037 -0.109 0.000 0.629 371 A CB -0.598 18.328 19.000 -0.125 0.000 0.834 371 A HN 0.421 nan 8.150 nan 0.000 0.447 372 R N -0.470 119.885 120.500 -0.242 0.000 2.159 372 R HA -0.115 4.225 4.340 0.000 0.000 0.237 372 R C 2.246 178.492 176.300 -0.090 0.000 1.131 372 R CA 1.237 57.218 56.100 -0.198 0.000 0.982 372 R CB -1.528 28.626 30.300 -0.244 0.000 0.868 372 R HN 0.580 nan 8.270 nan 0.000 0.453 373 G N 0.276 109.044 108.800 -0.053 0.000 2.408 373 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 373 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 373 G C 1.550 176.435 174.900 -0.025 0.000 1.150 373 G CA 0.471 45.562 45.100 -0.014 0.000 0.776 373 G HN 0.174 nan 8.290 nan 0.000 0.542 374 V N 0.368 120.246 119.914 -0.060 0.000 2.453 374 V HA -0.181 3.939 4.120 0.000 0.000 0.247 374 V C 2.870 178.916 176.094 -0.080 0.000 1.048 374 V CA 1.966 64.212 62.300 -0.090 0.000 1.049 374 V CB -0.344 31.342 31.823 -0.228 0.000 0.672 374 V HN 0.415 nan 8.190 nan 0.000 0.457 375 Q N -0.271 119.477 119.800 -0.087 0.000 2.083 375 Q HA -0.221 4.119 4.340 0.000 0.000 0.198 375 Q C 2.322 178.301 176.000 -0.035 0.000 0.969 375 Q CA 1.561 57.325 55.803 -0.067 0.000 0.838 375 Q CB -0.175 28.513 28.738 -0.084 0.000 0.900 375 Q HN 0.574 nan 8.270 nan 0.000 0.436 376 K N 1.174 121.556 120.400 -0.030 0.000 2.009 376 K HA -0.184 4.136 4.320 0.000 0.000 0.210 376 K C 1.990 178.595 176.600 0.007 0.000 1.049 376 K CA 1.264 57.545 56.287 -0.010 0.000 0.929 376 K CB -0.221 32.277 32.500 -0.004 0.000 0.714 376 K HN 0.158 nan 8.250 nan 0.000 0.440 377 I N 0.969 121.544 120.570 0.009 0.000 2.264 377 I HA -0.278 3.892 4.170 0.000 0.000 0.248 377 I C 1.820 177.972 176.117 0.059 0.000 1.111 377 I CA 1.131 62.446 61.300 0.025 0.000 1.382 377 I CB 0.094 38.099 38.000 0.008 0.000 1.060 377 I HN 0.251 nan 8.210 nan 0.000 0.418 378 L N -0.206 121.046 121.223 0.048 0.000 2.109 378 L HA -0.194 4.146 4.340 0.000 0.000 0.207 378 L C 2.530 179.456 176.870 0.094 0.000 1.086 378 L CA 0.845 55.743 54.840 0.097 0.000 0.760 378 L CB -0.625 41.462 42.059 0.047 0.000 0.910 378 L HN 0.289 nan 8.230 nan 0.000 0.437 379 Q N 0.543 120.366 119.800 0.038 0.000 2.016 379 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 379 Q C 1.769 177.782 176.000 0.022 0.000 0.978 379 Q CA 1.813 57.624 55.803 0.012 0.000 0.833 379 Q CB -0.198 28.538 28.738 -0.004 0.000 0.895 379 Q HN 0.338 nan 8.270 nan 0.000 0.427 380 D N -0.832 119.593 120.400 0.041 0.000 2.133 380 D HA -0.203 4.437 4.640 0.000 0.000 0.195 380 D C 1.653 178.005 176.300 0.087 0.000 0.997 380 D CA 1.432 55.462 54.000 0.050 0.000 0.840 380 D CB -0.413 40.418 40.800 0.051 0.000 0.947 380 D HN 0.381 nan 8.370 nan 0.000 0.452 381 Y N 1.408 121.696 120.300 -0.020 0.000 2.263 381 Y HA -0.060 4.491 4.550 0.000 0.000 0.292 381 Y C 2.186 178.074 175.900 -0.021 0.000 1.130 381 Y CA 1.211 59.300 58.100 -0.020 0.000 1.179 381 Y CB -0.133 38.314 38.460 -0.021 0.000 0.998 381 Y HN -0.194 nan 8.280 nan 0.000 0.532 382 K N -0.255 120.044 120.400 -0.168 0.000 2.009 382 K HA -0.174 4.146 4.320 0.000 0.000 0.210 382 K C 2.297 178.771 176.600 -0.210 0.000 1.049 382 K CA 1.893 58.025 56.287 -0.259 0.000 0.929 382 K CB -0.274 32.154 32.500 -0.120 0.000 0.714 382 K HN 0.279 nan 8.250 nan 0.000 0.440 383 S N 1.102 116.734 115.700 -0.114 0.000 2.365 383 S HA -0.162 4.308 4.470 0.000 0.000 0.225 383 S C 1.849 176.394 174.600 -0.091 0.000 1.039 383 S CA 1.388 59.539 58.200 -0.082 0.000 1.033 383 S CB -0.270 62.904 63.200 -0.043 0.000 0.887 383 S HN 0.243 nan 8.310 nan 0.000 0.447 384 L N 1.206 122.378 121.223 -0.086 0.000 2.156 384 L HA -0.131 4.209 4.340 0.000 0.000 0.208 384 L C 2.639 179.440 176.870 -0.115 0.000 1.095 384 L CA 0.860 55.663 54.840 -0.062 0.000 0.770 384 L CB -0.570 41.496 42.059 0.012 0.000 0.914 384 L HN 0.343 nan 8.230 nan 0.000 0.439 385 Q N 0.142 119.788 119.800 -0.258 0.000 2.065 385 Q HA -0.300 4.040 4.340 0.000 0.000 0.213 385 Q C 1.742 177.659 176.000 -0.138 0.000 1.012 385 Q CA 2.226 57.862 55.803 -0.278 0.000 0.876 385 Q CB -0.277 28.220 28.738 -0.401 0.000 0.954 385 Q HN 0.486 nan 8.270 nan 0.000 0.413 386 D N -0.206 120.122 120.400 -0.119 0.000 2.219 386 D HA -0.088 4.552 4.640 0.000 0.000 0.205 386 D C 1.757 178.026 176.300 -0.052 0.000 0.970 386 D CA 0.947 54.901 54.000 -0.076 0.000 0.851 386 D CB -0.015 40.744 40.800 -0.069 0.000 0.943 386 D HN 0.322 nan 8.370 nan 0.000 0.488 387 I N 0.948 121.488 120.570 -0.049 0.000 2.429 387 I HA -0.075 4.095 4.170 0.000 0.000 0.247 387 I C 2.445 178.550 176.117 -0.019 0.000 1.099 387 I CA 0.357 61.639 61.300 -0.030 0.000 1.422 387 I CB -0.154 37.831 38.000 -0.026 0.000 1.112 387 I HN -0.064 nan 8.210 nan 0.000 0.430 388 I N 0.235 120.797 120.570 -0.015 0.000 2.916 388 I HA -0.097 4.073 4.170 0.000 0.000 0.267 388 I C 2.432 178.548 176.117 -0.002 0.000 1.263 388 I CA 1.068 62.369 61.300 0.002 0.000 1.471 388 I CB -0.281 37.732 38.000 0.022 0.000 1.089 388 I HN 0.093 nan 8.210 nan 0.000 0.468 389 A N 2.140 124.951 122.820 -0.014 0.000 1.865 389 A HA -0.143 4.177 4.320 0.000 0.000 0.217 389 A C 2.117 179.696 177.584 -0.010 0.000 1.191 389 A CA 2.294 54.323 52.037 -0.015 0.000 0.623 389 A CB -0.684 18.300 19.000 -0.026 0.000 0.826 389 A HN 0.550 nan 8.150 nan 0.000 0.444 390 I N -1.024 119.539 120.570 -0.012 0.000 2.522 390 I HA -0.008 4.162 4.170 0.000 0.000 0.240 390 I C 1.864 177.978 176.117 -0.005 0.000 1.078 390 I CA 0.570 61.864 61.300 -0.009 0.000 1.422 390 I CB -0.248 37.745 38.000 -0.011 0.000 1.188 390 I HN 0.151 nan 8.210 nan 0.000 0.442 391 L N 0.940 122.160 121.223 -0.005 0.000 2.622 391 L HA 0.153 4.493 4.340 0.000 0.000 0.233 391 L C 1.135 178.006 176.870 0.001 0.000 1.156 391 L CA 0.214 55.052 54.840 -0.002 0.000 0.866 391 L CB -1.615 40.443 42.059 -0.003 0.000 0.980 391 L HN 0.515 nan 8.230 nan 0.000 0.448 392 G N 0.114 108.916 108.800 0.003 0.000 2.804 392 G HA2 -0.367 3.593 3.960 0.000 0.000 0.230 392 G HA3 -0.367 3.593 3.960 0.000 0.000 0.230 392 G C 0.128 175.034 174.900 0.011 0.000 1.386 392 G CA 0.249 45.353 45.100 0.007 0.000 0.875 392 G HN 0.146 nan 8.290 nan 0.000 0.557 393 M N -0.425 119.184 119.600 0.014 0.000 2.414 393 M HA 0.160 4.640 4.480 0.000 0.000 0.251 393 M C 1.814 178.122 176.300 0.014 0.000 1.116 393 M CA 0.917 56.228 55.300 0.017 0.000 1.056 393 M CB 0.055 32.668 32.600 0.022 0.000 1.388 393 M HN 0.579 nan 8.290 nan 0.000 0.487 394 D N 0.962 121.369 120.400 0.011 0.000 2.106 394 D HA -0.207 4.433 4.640 0.000 0.000 0.191 394 D C 1.644 177.949 176.300 0.008 0.000 0.997 394 D CA 1.301 55.306 54.000 0.009 0.000 0.834 394 D CB -0.293 40.511 40.800 0.007 0.000 0.956 394 D HN 0.256 nan 8.370 nan 0.000 0.448 395 E N 0.170 120.375 120.200 0.007 0.000 2.396 395 E HA -0.038 4.312 4.350 0.000 0.000 0.200 395 E C 0.798 177.403 176.600 0.008 0.000 1.023 395 E CA -0.030 56.374 56.400 0.006 0.000 0.857 395 E CB -0.215 29.488 29.700 0.005 0.000 0.775 395 E HN 0.378 nan 8.360 nan 0.000 0.525 396 L N 1.917 123.146 121.223 0.010 0.000 2.456 396 L HA -0.005 4.335 4.340 0.000 0.000 0.272 396 L C 0.381 177.258 176.870 0.011 0.000 1.189 396 L CA -0.180 54.667 54.840 0.013 0.000 0.846 396 L CB 0.550 42.619 42.059 0.018 0.000 1.111 396 L HN -0.008 nan 8.230 nan 0.000 0.475 397 S N 2.180 117.887 115.700 0.011 0.000 2.533 397 S HA 0.047 4.517 4.470 0.000 0.000 0.282 397 S C 0.890 175.495 174.600 0.009 0.000 1.304 397 S CA -0.906 57.300 58.200 0.009 0.000 1.063 397 S CB 1.099 64.304 63.200 0.009 0.000 0.881 397 S HN 0.537 nan 8.310 nan 0.000 0.493 398 E N 2.194 122.398 120.200 0.008 0.000 2.233 398 E HA -0.220 4.130 4.350 0.000 0.000 0.199 398 E C 1.544 178.148 176.600 0.007 0.000 1.004 398 E CA 1.188 57.592 56.400 0.007 0.000 0.819 398 E CB -0.235 29.469 29.700 0.006 0.000 0.738 398 E HN 0.756 nan 8.360 nan 0.000 0.478 399 E N 0.526 120.731 120.200 0.007 0.000 2.110 399 E HA -0.166 4.184 4.350 0.000 0.000 0.193 399 E C 1.281 177.886 176.600 0.009 0.000 0.988 399 E CA 1.160 57.565 56.400 0.007 0.000 0.804 399 E CB -0.106 29.599 29.700 0.008 0.000 0.745 399 E HN 0.333 nan 8.360 nan 0.000 0.458 400 D N -0.187 120.221 120.400 0.013 0.000 2.333 400 D HA -0.049 4.591 4.640 0.000 0.000 0.208 400 D C 1.342 177.654 176.300 0.021 0.000 0.984 400 D CA 0.561 54.572 54.000 0.019 0.000 0.873 400 D CB 0.244 41.057 40.800 0.022 0.000 0.935 400 D HN 0.130 nan 8.370 nan 0.000 0.521 401 K N -0.070 120.338 120.400 0.013 0.000 2.404 401 K HA 0.114 4.434 4.320 0.000 0.000 0.194 401 K C 1.211 177.807 176.600 -0.006 0.000 1.023 401 K CA 0.076 56.369 56.287 0.010 0.000 1.094 401 K CB 0.566 33.072 32.500 0.011 0.000 0.841 401 K HN 0.107 nan 8.250 nan 0.000 0.523 402 L N 2.059 123.277 121.223 -0.008 0.000 2.298 402 L HA -0.010 4.330 4.340 0.000 0.000 0.209 402 L C 2.364 179.212 176.870 -0.036 0.000 1.084 402 L CA 1.421 56.249 54.840 -0.020 0.000 0.816 402 L CB -0.036 42.017 42.059 -0.009 0.000 0.967 402 L HN 0.307 nan 8.230 nan 0.000 0.460 403 T N -4.030 110.512 114.554 -0.021 0.000 2.985 403 T HA -0.060 4.290 4.350 0.000 0.000 0.266 403 T C 1.749 176.407 174.700 -0.070 0.000 1.076 403 T CA 1.238 63.322 62.100 -0.027 0.000 1.135 403 T CB -0.572 68.301 68.868 0.008 0.000 0.890 403 T HN 0.069 nan 8.240 nan 0.000 0.480 404 V N 1.465 121.347 119.914 -0.053 0.000 2.358 404 V HA -0.120 4.000 4.120 0.000 0.000 0.246 404 V C 3.054 178.995 176.094 -0.255 0.000 1.047 404 V CA 1.814 64.034 62.300 -0.132 0.000 1.035 404 V CB -1.082 30.741 31.823 -0.001 0.000 0.658 404 V HN 0.493 nan 8.190 nan 0.000 0.452 405 S N -0.161 115.451 115.700 -0.147 0.000 2.380 405 S HA -0.228 4.242 4.470 0.000 0.000 0.217 405 S C 2.119 176.598 174.600 -0.200 0.000 1.036 405 S CA 1.833 59.945 58.200 -0.146 0.000 1.050 405 S CB -0.351 62.797 63.200 -0.087 0.000 1.016 405 S HN 0.502 nan 8.310 nan 0.000 0.419 406 R N 1.014 121.415 120.500 -0.164 0.000 2.119 406 R HA -0.161 4.179 4.340 0.000 0.000 0.246 406 R C 2.484 178.668 176.300 -0.193 0.000 1.146 406 R CA 1.380 57.378 56.100 -0.170 0.000 0.962 406 R CB -0.664 29.578 30.300 -0.095 0.000 0.863 406 R HN 0.442 nan 8.270 nan 0.000 0.442 407 A N 1.635 124.318 122.820 -0.227 0.000 1.858 407 A HA -0.189 4.131 4.320 0.000 0.000 0.216 407 A C 2.147 179.535 177.584 -0.326 0.000 1.190 407 A CA 1.369 53.245 52.037 -0.269 0.000 0.617 407 A CB -0.445 18.313 19.000 -0.404 0.000 0.827 407 A HN 0.271 nan 8.150 nan 0.000 0.443 408 R N -0.065 120.164 120.500 -0.452 0.000 2.127 408 R HA -0.138 4.202 4.340 0.000 0.000 0.238 408 R C 2.075 178.256 176.300 -0.199 0.000 1.134 408 R CA 1.622 57.529 56.100 -0.321 0.000 0.975 408 R CB -0.314 29.815 30.300 -0.286 0.000 0.865 408 R HN 0.555 nan 8.270 nan 0.000 0.447 409 K N 0.484 120.720 120.400 -0.275 0.000 2.076 409 K HA 0.021 4.341 4.320 0.000 0.000 0.204 409 K C 2.134 178.585 176.600 -0.248 0.000 1.051 409 K CA 0.898 56.923 56.287 -0.437 0.000 0.949 409 K CB -0.017 31.925 32.500 -0.930 0.000 0.726 409 K HN 0.117 nan 8.250 nan 0.000 0.443 410 I N 1.540 122.050 120.570 -0.100 0.000 2.226 410 I HA -0.305 3.865 4.170 0.000 0.000 0.245 410 I C 2.628 178.891 176.117 0.243 0.000 1.100 410 I CA 1.372 62.801 61.300 0.215 0.000 1.374 410 I CB -0.346 37.763 38.000 0.180 0.000 1.057 410 I HN 0.306 nan 8.210 nan 0.000 0.413 411 Q N 0.602 120.453 119.800 0.086 0.000 2.152 411 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 411 Q C 2.340 178.417 176.000 0.129 0.000 0.985 411 Q CA 1.726 57.577 55.803 0.081 0.000 0.863 411 Q CB 0.098 28.853 28.738 0.027 0.000 0.904 411 Q HN 0.451 nan 8.270 nan 0.000 0.422 412 R N -1.217 119.377 120.500 0.157 0.000 2.075 412 R HA -0.034 4.306 4.340 0.000 0.000 0.220 412 R C 1.980 178.458 176.300 0.297 0.000 1.118 412 R CA 0.776 57.025 56.100 0.249 0.000 0.986 412 R CB -0.319 30.140 30.300 0.265 0.000 0.884 412 R HN 0.192 nan 8.270 nan 0.000 0.439 413 F N 1.721 121.771 119.950 0.166 0.000 2.373 413 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 413 F C 1.577 177.519 175.800 0.237 0.000 1.080 413 F CA 1.093 59.168 58.000 0.125 0.000 1.417 413 F CB -0.017 38.928 39.000 -0.092 0.000 1.070 413 F HN -0.046 nan 8.300 nan 0.000 0.546 414 L N -0.730 120.661 121.223 0.279 0.000 2.418 414 L HA 0.006 4.346 4.340 0.000 0.000 0.218 414 L C 1.367 178.253 176.870 0.026 0.000 1.125 414 L CA 0.169 55.122 54.840 0.188 0.000 0.835 414 L CB -0.571 41.582 42.059 0.156 0.000 0.953 414 L HN 0.033 nan 8.230 nan 0.000 0.454 415 S N -0.453 115.256 115.700 0.015 0.000 2.624 415 S HA 0.373 4.843 4.470 0.000 0.000 0.263 415 S C -0.310 174.203 174.600 -0.144 0.000 1.287 415 S CA -0.555 57.611 58.200 -0.057 0.000 0.990 415 S CB 1.790 64.976 63.200 -0.022 0.000 0.950 415 S HN 0.243 nan 8.310 nan 0.000 0.561 416 Q N 0.092 119.778 119.800 -0.190 0.000 2.403 416 Q HA 0.334 4.674 4.340 0.000 0.000 0.267 416 Q C -3.205 172.681 176.000 -0.190 0.000 0.991 416 Q CA -1.864 53.842 55.803 -0.161 0.000 0.906 416 Q CB 2.230 30.942 28.738 -0.043 0.000 1.422 416 Q HN 0.464 nan 8.270 nan 0.000 0.400 417 P HA 0.189 nan 4.420 nan 0.000 0.280 417 P C -0.903 176.491 177.300 0.156 0.000 1.300 417 P CA -0.044 63.022 63.100 -0.057 0.000 0.785 417 P CB 0.034 31.709 31.700 -0.042 0.000 0.874 418 F N 1.921 121.876 119.950 0.010 0.000 2.382 418 F HA 0.194 4.721 4.527 -0.000 0.000 0.331 418 F C 2.061 177.870 175.800 0.016 0.000 1.121 418 F CA -0.747 57.265 58.000 0.021 0.000 1.183 418 F CB 0.592 39.620 39.000 0.047 0.000 1.207 418 F HN 0.378 nan 8.300 nan 0.000 0.555 419 Q N 0.718 120.617 119.800 0.165 0.000 2.472 419 Q HA 0.045 4.385 4.340 0.000 0.000 0.208 419 Q C 0.524 176.552 176.000 0.047 0.000 0.958 419 Q CA 0.647 56.491 55.803 0.068 0.000 0.932 419 Q CB 0.212 28.957 28.738 0.012 0.000 1.007 419 Q HN 0.506 nan 8.270 nan 0.000 0.508 420 V N -0.169 119.798 119.914 0.089 0.000 3.578 420 V HA 0.317 4.437 4.120 0.000 0.000 0.290 420 V C 0.526 176.678 176.094 0.097 0.000 1.376 420 V CA 0.742 63.082 62.300 0.066 0.000 1.083 420 V CB 0.993 32.856 31.823 0.066 0.000 0.911 420 V HN 0.327 nan 8.190 nan 0.000 0.433 421 A N -0.791 122.110 122.820 0.135 0.000 2.594 421 A HA 0.368 4.688 4.320 0.000 0.000 0.292 421 A C 1.220 178.795 177.584 -0.016 0.000 1.026 421 A CA -0.189 51.938 52.037 0.150 0.000 0.983 421 A CB 0.075 19.337 19.000 0.437 0.000 1.233 421 A HN 0.399 nan 8.150 nan 0.000 0.519 422 E N -0.128 120.026 120.200 -0.077 0.000 2.150 422 E HA -0.129 4.221 4.350 0.000 0.000 0.193 422 E C 1.716 178.224 176.600 -0.153 0.000 0.985 422 E CA 1.482 57.849 56.400 -0.056 0.000 0.814 422 E CB -0.145 29.528 29.700 -0.044 0.000 0.752 422 E HN 0.552 nan 8.360 nan 0.000 0.466 423 V N -0.275 119.424 119.914 -0.359 0.000 2.867 423 V HA -0.201 3.919 4.120 0.000 0.000 0.260 423 V C 1.487 177.345 176.094 -0.394 0.000 1.099 423 V CA 1.365 63.404 62.300 -0.434 0.000 1.122 423 V CB -0.716 30.714 31.823 -0.655 0.000 0.708 423 V HN 0.114 nan 8.190 nan 0.000 0.490 424 F N 1.509 121.450 119.950 -0.015 0.000 2.419 424 F HA 0.102 4.629 4.527 0.000 0.000 0.283 424 F C 2.677 178.470 175.800 -0.011 0.000 1.044 424 F CA 1.119 59.094 58.000 -0.041 0.000 1.376 424 F CB -1.334 37.595 39.000 -0.119 0.000 1.131 424 F HN 0.212 nan 8.300 nan 0.000 0.585 425 T N -3.001 111.661 114.554 0.180 0.000 3.067 425 T HA 0.316 4.666 4.350 0.000 0.000 0.257 425 T C 1.763 176.629 174.700 0.276 0.000 1.105 425 T CA 0.632 62.855 62.100 0.204 0.000 1.104 425 T CB -0.366 68.590 68.868 0.147 0.000 0.925 425 T HN 0.494 nan 8.240 nan 0.000 0.498 426 G N 1.244 110.116 108.800 0.120 0.000 2.198 426 G HA2 -0.204 3.756 3.960 0.000 0.000 0.260 426 G HA3 -0.204 3.756 3.960 0.000 0.000 0.260 426 G C -0.276 174.548 174.900 -0.127 0.000 1.025 426 G CA 0.314 45.412 45.100 -0.004 0.000 0.769 426 G HN 0.828 nan 8.290 nan 0.000 0.507 427 H N -1.968 117.092 119.070 -0.016 0.000 2.806 427 H HA 0.606 5.162 4.556 0.000 0.000 0.367 427 H C -0.054 175.265 175.328 -0.016 0.000 1.136 427 H CA -0.931 55.104 56.048 -0.021 0.000 1.178 427 H CB 1.501 31.240 29.762 -0.037 0.000 1.718 427 H HN 0.204 nan 8.280 nan 0.000 0.540 428 L N 1.821 123.104 121.223 0.100 0.000 2.453 428 L HA 0.310 4.650 4.340 0.000 0.000 0.272 428 L C 0.909 177.822 176.870 0.071 0.000 1.182 428 L CA 0.380 55.254 54.840 0.056 0.000 0.858 428 L CB 0.424 42.500 42.059 0.029 0.000 1.120 428 L HN 0.880 nan 8.230 nan 0.000 0.474 429 G N 4.175 113.012 108.800 0.062 0.000 2.398 429 G HA2 0.234 4.194 3.960 0.000 0.000 0.246 429 G HA3 0.234 4.194 3.960 0.000 0.000 0.246 429 G C -0.484 174.451 174.900 0.059 0.000 1.289 429 G CA -0.503 44.645 45.100 0.081 0.000 0.869 429 G HN 0.441 nan 8.290 nan 0.000 0.543 430 K N 1.081 121.522 120.400 0.067 0.000 2.270 430 K HA 0.412 4.732 4.320 0.000 0.000 0.255 430 K C -0.967 175.659 176.600 0.043 0.000 0.936 430 K CA -0.996 55.316 56.287 0.040 0.000 0.809 430 K CB 2.388 34.901 32.500 0.022 0.000 1.131 430 K HN 0.370 nan 8.250 nan 0.000 0.427 431 L N 2.455 123.691 121.223 0.021 0.000 2.319 431 L HA 0.463 4.803 4.340 0.000 0.000 0.281 431 L C -1.156 175.719 176.870 0.008 0.000 1.005 431 L CA -0.699 54.147 54.840 0.010 0.000 0.828 431 L CB 1.514 43.570 42.059 -0.005 0.000 1.227 431 L HN 0.245 nan 8.230 nan 0.000 0.415 432 V N 6.765 126.683 119.914 0.007 0.000 2.483 432 V HA 0.604 4.724 4.120 0.000 0.000 0.295 432 V C -1.986 174.115 176.094 0.010 0.000 1.035 432 V CA -1.333 60.971 62.300 0.007 0.000 0.896 432 V CB 1.531 33.351 31.823 -0.006 0.000 0.986 432 V HN 0.777 nan 8.190 nan 0.000 0.447 433 P HA 0.132 nan 4.420 nan 0.000 0.275 433 P C 0.713 178.022 177.300 0.015 0.000 1.228 433 P CA -0.401 62.708 63.100 0.015 0.000 0.786 433 P CB 1.173 32.883 31.700 0.017 0.000 0.927 434 L N 3.537 124.765 121.223 0.008 0.000 2.089 434 L HA -0.220 4.120 4.340 0.000 0.000 0.213 434 L C 2.001 178.857 176.870 -0.022 0.000 1.079 434 L CA 2.095 56.928 54.840 -0.012 0.000 0.758 434 L CB -1.053 41.000 42.059 -0.010 0.000 0.891 434 L HN 0.351 nan 8.230 nan 0.000 0.433 435 K N -1.148 119.251 120.400 -0.001 0.000 2.228 435 K HA -0.070 4.250 4.320 0.000 0.000 0.202 435 K C 1.851 178.471 176.600 0.033 0.000 1.051 435 K CA 0.780 57.072 56.287 0.008 0.000 0.960 435 K CB -0.014 32.496 32.500 0.016 0.000 0.743 435 K HN 0.272 nan 8.250 nan 0.000 0.458 436 E N 0.397 120.621 120.200 0.041 0.000 2.150 436 E HA -0.090 4.260 4.350 0.000 0.000 0.193 436 E C 1.878 178.540 176.600 0.104 0.000 0.985 436 E CA 1.083 57.520 56.400 0.063 0.000 0.814 436 E CB -0.219 29.514 29.700 0.054 0.000 0.752 436 E HN 0.205 nan 8.360 nan 0.000 0.466 437 T N 1.627 116.240 114.554 0.099 0.000 2.639 437 T HA -0.044 4.306 4.350 0.000 0.000 0.261 437 T C 2.139 176.985 174.700 0.244 0.000 1.053 437 T CA 1.011 63.218 62.100 0.178 0.000 1.158 437 T CB -0.314 68.636 68.868 0.137 0.000 0.863 437 T HN 0.089 nan 8.240 nan 0.000 0.413 438 I N 1.439 122.077 120.570 0.114 0.000 2.145 438 I HA -0.296 3.874 4.170 0.000 0.000 0.244 438 I C 2.636 178.842 176.117 0.149 0.000 1.075 438 I CA 1.647 63.004 61.300 0.096 0.000 1.332 438 I CB -0.483 37.490 38.000 -0.045 0.000 1.033 438 I HN 0.257 nan 8.210 nan 0.000 0.410 439 K N 1.438 121.904 120.400 0.111 0.000 2.001 439 K HA -0.150 4.170 4.320 0.000 0.000 0.208 439 K C 2.211 178.871 176.600 0.099 0.000 1.048 439 K CA 1.749 58.094 56.287 0.096 0.000 0.932 439 K CB -0.553 31.989 32.500 0.071 0.000 0.715 439 K HN 0.347 nan 8.250 nan 0.000 0.437 440 G N 0.699 109.552 108.800 0.087 0.000 2.476 440 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 440 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 440 G C 1.287 176.091 174.900 -0.161 0.000 1.164 440 G CA 0.948 46.000 45.100 -0.080 0.000 0.768 440 G HN 0.291 nan 8.290 nan 0.000 0.560 441 F N 0.507 120.564 119.950 0.177 0.000 2.146 441 F HA 0.015 4.542 4.527 0.000 0.000 0.298 441 F C 2.915 178.760 175.800 0.075 0.000 1.096 441 F CA 1.459 59.541 58.000 0.136 0.000 1.275 441 F CB -0.699 38.399 39.000 0.163 0.000 1.008 441 F HN 0.172 nan 8.300 nan 0.000 0.480 442 Q N 0.197 120.139 119.800 0.236 0.000 2.096 442 Q HA -0.300 4.040 4.340 0.000 0.000 0.208 442 Q C 2.120 178.183 176.000 0.105 0.000 0.993 442 Q CA 2.320 58.211 55.803 0.145 0.000 0.862 442 Q CB -0.142 28.665 28.738 0.114 0.000 0.915 442 Q HN 0.507 nan 8.270 nan 0.000 0.416 443 Q N -0.335 119.526 119.800 0.102 0.000 2.083 443 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 443 Q C 2.150 178.213 176.000 0.105 0.000 0.969 443 Q CA 1.419 57.275 55.803 0.088 0.000 0.838 443 Q CB -0.044 28.805 28.738 0.185 0.000 0.900 443 Q HN 0.487 nan 8.270 nan 0.000 0.436 444 I N 0.643 121.289 120.570 0.127 0.000 2.179 444 I HA -0.286 3.884 4.170 0.000 0.000 0.242 444 I C 2.225 178.371 176.117 0.049 0.000 1.088 444 I CA 1.123 62.474 61.300 0.084 0.000 1.357 444 I CB -0.369 37.601 38.000 -0.050 0.000 1.051 444 I HN 0.218 nan 8.210 nan 0.000 0.409 445 L N 0.769 122.041 121.223 0.080 0.000 2.131 445 L HA -0.177 4.163 4.340 0.000 0.000 0.210 445 L C 2.616 179.506 176.870 0.033 0.000 1.092 445 L CA 1.148 56.024 54.840 0.060 0.000 0.759 445 L CB -0.446 41.664 42.059 0.084 0.000 0.903 445 L HN 0.269 nan 8.230 nan 0.000 0.435 446 A N -0.915 121.923 122.820 0.029 0.000 2.206 446 A HA 0.198 4.518 4.320 0.000 0.000 0.211 446 A C 1.761 179.336 177.584 -0.015 0.000 1.158 446 A CA 0.853 52.894 52.037 0.006 0.000 0.761 446 A CB -0.371 18.628 19.000 -0.002 0.000 0.801 446 A HN 0.542 nan 8.150 nan 0.000 0.473 447 G N -0.616 108.174 108.800 -0.016 0.000 2.176 447 G HA2 -0.278 3.682 3.960 0.000 0.000 0.253 447 G HA3 -0.278 3.682 3.960 0.000 0.000 0.253 447 G C 0.407 175.271 174.900 -0.059 0.000 0.979 447 G CA 0.481 45.567 45.100 -0.023 0.000 0.641 447 G HN 0.607 nan 8.290 nan 0.000 0.530 448 E N -0.833 119.281 120.200 -0.145 0.000 2.533 448 E HA 0.110 4.460 4.350 0.000 0.000 0.201 448 E C 0.431 176.631 176.600 -0.666 0.000 1.097 448 E CA 0.603 56.782 56.400 -0.369 0.000 0.887 448 E CB -0.089 29.311 29.700 -0.501 0.000 0.855 448 E HN 0.756 nan 8.360 nan 0.000 0.540 449 Y N -1.579 118.705 120.300 -0.027 0.000 2.954 449 Y HA 0.093 4.643 4.550 -0.000 0.000 0.267 449 Y C 0.677 176.460 175.900 -0.195 0.000 1.093 449 Y CA -0.751 57.232 58.100 -0.195 0.000 1.257 449 Y CB 0.499 38.970 38.460 0.018 0.000 1.317 449 Y HN -0.069 nan 8.280 nan 0.000 0.587 450 D N 0.473 120.886 120.400 0.021 0.000 2.389 450 D HA -0.155 4.485 4.640 0.000 0.000 0.221 450 D C 1.855 178.197 176.300 0.069 0.000 0.974 450 D CA 1.399 55.420 54.000 0.035 0.000 0.923 450 D CB 0.079 40.904 40.800 0.042 0.000 0.892 450 D HN 0.659 nan 8.370 nan 0.000 0.518 451 H N -0.587 118.549 119.070 0.110 0.000 2.451 451 H HA 0.084 4.640 4.556 0.000 0.000 0.294 451 H C 1.188 176.589 175.328 0.122 0.000 1.028 451 H CA -0.107 55.995 56.048 0.089 0.000 1.349 451 H CB -0.423 29.375 29.762 0.059 0.000 1.444 451 H HN 0.019 nan 8.280 nan 0.000 0.538 452 L N 2.703 123.797 121.223 -0.215 0.000 2.482 452 L HA 0.236 4.576 4.340 0.000 0.000 0.273 452 L C -2.185 174.771 176.870 0.144 0.000 1.228 452 L CA -2.000 52.831 54.840 -0.016 0.000 0.827 452 L CB -0.300 41.671 42.059 -0.147 0.000 1.099 452 L HN 0.074 nan 8.230 nan 0.000 0.494 453 P HA 0.170 nan 4.420 nan 0.000 0.278 453 P C -0.170 177.289 177.300 0.265 0.000 1.238 453 P CA -0.509 62.675 63.100 0.140 0.000 0.794 453 P CB 0.948 32.695 31.700 0.078 0.000 0.955 454 E N 0.734 121.058 120.200 0.207 0.000 2.033 454 E HA -0.267 4.083 4.350 0.000 0.000 0.199 454 E C 1.818 178.602 176.600 0.307 0.000 1.011 454 E CA 1.225 57.767 56.400 0.238 0.000 0.815 454 E CB -0.398 29.342 29.700 0.067 0.000 0.755 454 E HN 0.434 nan 8.360 nan 0.000 0.451 455 Q N 0.037 119.935 119.800 0.163 0.000 2.290 455 Q HA -0.206 4.134 4.340 0.000 0.000 0.211 455 Q C 2.092 178.190 176.000 0.163 0.000 0.991 455 Q CA 1.575 57.468 55.803 0.150 0.000 0.893 455 Q CB -0.480 28.313 28.738 0.092 0.000 0.913 455 Q HN 0.369 nan 8.270 nan 0.000 0.428 456 A N -0.878 121.992 122.820 0.084 0.000 2.015 456 A HA -0.112 4.208 4.320 0.000 0.000 0.219 456 A C 1.551 179.027 177.584 -0.181 0.000 1.163 456 A CA 0.918 52.887 52.037 -0.112 0.000 0.646 456 A CB -0.565 18.252 19.000 -0.305 0.000 0.806 456 A HN 0.322 nan 8.150 nan 0.000 0.448 457 F N -2.517 117.458 119.950 0.043 0.000 2.743 457 F HA 0.180 4.707 4.527 0.000 0.000 0.297 457 F C 0.787 176.697 175.800 0.183 0.000 1.131 457 F CA -0.268 57.789 58.000 0.094 0.000 1.426 457 F CB -0.287 38.749 39.000 0.061 0.000 1.116 457 F HN 0.274 nan 8.300 nan 0.000 0.583 458 Y N 1.682 122.083 120.300 0.168 0.000 2.377 458 Y HA 0.290 4.840 4.550 -0.000 0.000 0.330 458 Y C 0.607 176.508 175.900 0.001 0.000 1.108 458 Y CA -1.688 56.460 58.100 0.080 0.000 1.308 458 Y CB 0.255 38.749 38.460 0.058 0.000 1.216 458 Y HN 0.014 nan 8.280 nan 0.000 0.518 459 M N 6.164 125.390 119.600 -0.623 0.000 2.852 459 M HA -0.156 4.324 4.480 0.000 0.000 0.176 459 M C -1.145 174.963 176.300 -0.321 0.000 1.160 459 M CA 1.021 55.925 55.300 -0.661 0.000 0.702 459 M CB -2.519 29.412 32.600 -1.115 0.000 1.193 459 M HN 0.513 nan 8.290 nan 0.000 0.775 460 V N -1.909 117.903 119.914 -0.171 0.000 3.159 460 V HA 1.065 5.185 4.120 0.000 0.000 0.308 460 V C 0.487 176.533 176.094 -0.079 0.000 1.190 460 V CA -0.067 62.190 62.300 -0.072 0.000 1.037 460 V CB 1.835 33.656 31.823 -0.004 0.000 1.060 460 V HN 0.526 nan 8.190 nan 0.000 0.437 461 G N 0.675 109.454 108.800 -0.036 0.000 2.964 461 G HA2 0.491 4.451 3.960 0.000 0.000 0.191 461 G HA3 0.491 4.451 3.960 0.000 0.000 0.191 461 G C -2.411 172.479 174.900 -0.018 0.000 1.978 461 G CA -0.340 44.732 45.100 -0.046 0.000 0.861 461 G HN 0.714 nan 8.290 nan 0.000 0.584 462 P HA 0.204 nan 4.420 nan 0.000 0.274 462 P C 0.783 178.192 177.300 0.181 0.000 1.231 462 P CA -0.583 62.591 63.100 0.124 0.000 0.790 462 P CB 1.175 32.911 31.700 0.060 0.000 0.951 463 I N 1.378 122.050 120.570 0.170 0.000 2.399 463 I HA -0.300 3.870 4.170 0.000 0.000 0.254 463 I C 1.624 177.601 176.117 -0.233 0.000 1.146 463 I CA 1.924 63.107 61.300 -0.196 0.000 1.412 463 I CB -0.298 37.455 38.000 -0.411 0.000 1.076 463 I HN 0.331 nan 8.210 nan 0.000 0.432 464 E N 0.534 120.674 120.200 -0.099 0.000 2.153 464 E HA -0.209 4.141 4.350 0.000 0.000 0.194 464 E C 2.013 178.551 176.600 -0.103 0.000 0.988 464 E CA 1.382 57.728 56.400 -0.090 0.000 0.811 464 E CB -0.186 29.495 29.700 -0.031 0.000 0.746 464 E HN 0.614 nan 8.360 nan 0.000 0.466 465 E N 0.224 120.380 120.200 -0.074 0.000 2.204 465 E HA -0.113 4.237 4.350 0.000 0.000 0.194 465 E C 1.973 178.493 176.600 -0.134 0.000 0.989 465 E CA 0.809 57.169 56.400 -0.068 0.000 0.824 465 E CB -0.083 29.602 29.700 -0.024 0.000 0.756 465 E HN 0.266 nan 8.360 nan 0.000 0.477 466 A N 1.238 123.917 122.820 -0.236 0.000 1.929 466 A HA -0.072 4.248 4.320 0.000 0.000 0.216 466 A C 2.496 179.786 177.584 -0.489 0.000 1.176 466 A CA 0.759 52.522 52.037 -0.457 0.000 0.628 466 A CB -0.405 18.110 19.000 -0.808 0.000 0.816 466 A HN 0.097 nan 8.150 nan 0.000 0.444 467 V N -0.176 119.503 119.914 -0.392 0.000 2.323 467 V HA -0.191 3.929 4.120 0.000 0.000 0.244 467 V C 3.061 179.074 176.094 -0.135 0.000 1.041 467 V CA 1.811 63.965 62.300 -0.243 0.000 1.025 467 V CB -1.163 30.579 31.823 -0.135 0.000 0.656 467 V HN 0.592 nan 8.190 nan 0.000 0.451 468 A N 0.025 122.780 122.820 -0.108 0.000 1.865 468 A HA -0.298 4.022 4.320 0.000 0.000 0.217 468 A C 2.319 179.865 177.584 -0.064 0.000 1.191 468 A CA 2.341 54.341 52.037 -0.063 0.000 0.623 468 A CB -0.590 18.382 19.000 -0.046 0.000 0.826 468 A HN 0.517 nan 8.150 nan 0.000 0.444 469 K N -0.289 120.059 120.400 -0.085 0.000 2.152 469 K HA -0.135 4.185 4.320 0.000 0.000 0.206 469 K C 2.041 178.600 176.600 -0.068 0.000 1.048 469 K CA 1.249 57.497 56.287 -0.065 0.000 0.933 469 K CB -0.327 32.132 32.500 -0.069 0.000 0.721 469 K HN 0.401 nan 8.250 nan 0.000 0.447 470 A N 1.731 124.486 122.820 -0.109 0.000 1.858 470 A HA -0.207 4.113 4.320 0.000 0.000 0.216 470 A C 1.618 179.188 177.584 -0.024 0.000 1.190 470 A CA 1.995 53.987 52.037 -0.075 0.000 0.617 470 A CB -0.613 18.330 19.000 -0.096 0.000 0.827 470 A HN 0.426 nan 8.150 nan 0.000 0.443 471 D N -0.272 120.116 120.400 -0.019 0.000 2.087 471 D HA -0.184 4.456 4.640 0.000 0.000 0.192 471 D C 1.826 178.125 176.300 -0.002 0.000 0.993 471 D CA 1.668 55.666 54.000 -0.003 0.000 0.828 471 D CB -0.519 40.280 40.800 -0.003 0.000 0.968 471 D HN 0.509 nan 8.370 nan 0.000 0.448 472 K N 0.264 120.660 120.400 -0.007 0.000 2.127 472 K HA -0.133 4.187 4.320 0.000 0.000 0.208 472 K C 2.171 178.775 176.600 0.006 0.000 1.047 472 K CA 0.895 57.181 56.287 -0.001 0.000 0.927 472 K CB -0.128 32.371 32.500 -0.002 0.000 0.716 472 K HN 0.129 nan 8.250 nan 0.000 0.450 473 L N -0.438 120.788 121.223 0.006 0.000 2.341 473 L HA 0.006 4.346 4.340 0.000 0.000 0.214 473 L C 2.258 179.137 176.870 0.016 0.000 1.115 473 L CA 0.501 55.350 54.840 0.015 0.000 0.820 473 L CB -0.396 41.673 42.059 0.018 0.000 0.944 473 L HN 0.192 nan 8.230 nan 0.000 0.452 474 A N -0.459 122.369 122.820 0.013 0.000 2.204 474 A HA -0.138 4.182 4.320 0.000 0.000 0.220 474 A C 0.504 178.097 177.584 0.016 0.000 1.165 474 A CA 1.522 53.569 52.037 0.017 0.000 0.671 474 A CB -0.218 18.793 19.000 0.017 0.000 0.792 474 A HN 0.505 nan 8.150 nan 0.000 0.473 475 E N 0.000 120.208 120.200 0.014 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.408 56.400 0.013 0.000 0.976 475 E CB 0.000 29.707 29.700 0.011 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440