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 1w0k_1_E 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 KADKLA 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 0.000 174.805 174.700 0.175 0.000 1.109 9 T CA 0.000 62.170 62.100 0.116 0.000 1.349 9 T CB 0.000 68.948 68.868 0.133 0.000 0.612 10 T N 1.109 115.729 114.554 0.110 0.000 2.770 10 T HA 0.713 5.063 4.350 0.000 0.000 0.283 10 T C 0.538 175.124 174.700 -0.190 0.000 0.988 10 T CA -0.356 61.744 62.100 0.000 0.000 0.957 10 T CB 1.089 69.940 68.868 -0.029 0.000 0.930 10 T HN 1.043 nan 8.240 nan 0.000 0.443 11 G N 2.245 110.694 108.800 -0.586 0.000 2.461 11 G HA2 0.669 4.629 3.960 0.000 0.000 0.329 11 G HA3 0.669 4.629 3.960 0.000 0.000 0.329 11 G C -0.709 173.828 174.900 -0.604 0.000 1.170 11 G CA -0.893 43.487 45.100 -1.201 0.000 0.935 11 G HN 0.565 nan 8.290 nan 0.000 0.492 12 R N -0.052 120.161 120.500 -0.479 0.000 2.562 12 R HA 0.343 4.683 4.340 0.000 0.000 0.298 12 R C -0.420 175.757 176.300 -0.206 0.000 0.961 12 R CA -0.780 55.166 56.100 -0.257 0.000 0.881 12 R CB 2.312 32.509 30.300 -0.172 0.000 1.159 12 R HN 0.399 nan 8.270 nan 0.000 0.450 13 I N 3.280 123.768 120.570 -0.137 0.000 2.598 13 I HA -0.091 4.079 4.170 0.000 0.000 0.284 13 I C 1.574 177.650 176.117 -0.068 0.000 1.140 13 I CA 0.142 61.389 61.300 -0.087 0.000 1.420 13 I CB 0.972 38.937 38.000 -0.059 0.000 1.387 13 I HN 0.538 nan 8.210 nan 0.000 0.553 14 V N 3.159 123.041 119.914 -0.053 0.000 3.379 14 V HA 0.521 4.641 4.120 0.000 0.000 0.249 14 V C 0.671 176.750 176.094 -0.024 0.000 1.184 14 V CA 0.347 62.625 62.300 -0.038 0.000 1.106 14 V CB -0.060 31.744 31.823 -0.033 0.000 0.826 14 V HN 0.706 nan 8.190 nan 0.000 0.465 15 A N 0.017 122.826 122.820 -0.019 0.000 2.459 15 A HA 0.791 5.111 4.320 0.000 0.000 0.296 15 A C -1.181 176.398 177.584 -0.009 0.000 1.039 15 A CA -0.385 51.645 52.037 -0.012 0.000 0.698 15 A CB 2.184 21.180 19.000 -0.006 0.000 1.261 15 A HN 0.361 nan 8.150 nan 0.000 0.405 16 V N 3.207 123.117 119.914 -0.007 0.000 2.409 16 V HA 0.459 4.579 4.120 0.000 0.000 0.290 16 V C -0.750 175.343 176.094 -0.003 0.000 1.017 16 V CA -0.016 62.282 62.300 -0.004 0.000 0.841 16 V CB 1.136 32.956 31.823 -0.006 0.000 1.003 16 V HN 0.707 nan 8.190 nan 0.000 0.426 17 I N 5.046 125.616 120.570 -0.000 0.000 2.595 17 I HA 0.634 4.804 4.170 0.000 0.000 0.275 17 I C 1.021 177.139 176.117 0.001 0.000 1.092 17 I CA 0.214 61.514 61.300 0.000 0.000 1.145 17 I CB 1.071 39.071 38.000 0.000 0.000 1.276 17 I HN 0.841 nan 8.210 nan 0.000 0.497 18 G N 4.204 113.005 108.800 0.001 0.000 2.583 18 G HA2 -0.324 3.636 3.960 0.000 0.000 0.292 18 G HA3 -0.324 3.636 3.960 0.000 0.000 0.292 18 G C 0.772 175.674 174.900 0.003 0.000 1.203 18 G CA 0.240 45.340 45.100 0.002 0.000 0.987 18 G HN 0.829 nan 8.290 nan 0.000 0.554 19 A N -0.554 122.268 122.820 0.004 0.000 2.310 19 A HA 0.573 4.893 4.320 0.000 0.000 0.230 19 A C 0.604 178.194 177.584 0.009 0.000 1.294 19 A CA 1.259 53.300 52.037 0.007 0.000 0.898 19 A CB -0.194 18.811 19.000 0.007 0.000 0.917 19 A HN 1.449 nan 8.150 nan 0.000 0.491 20 V N 0.803 120.722 119.914 0.008 0.000 2.384 20 V HA 0.359 4.479 4.120 0.000 0.000 0.287 20 V C -0.508 175.592 176.094 0.009 0.000 1.020 20 V CA -0.467 61.839 62.300 0.010 0.000 0.850 20 V CB 1.526 33.354 31.823 0.008 0.000 0.987 20 V HN 0.107 nan 8.190 nan 0.000 0.436 21 V N 3.796 123.718 119.914 0.014 0.000 2.495 21 V HA 0.524 4.644 4.120 0.000 0.000 0.298 21 V C -0.763 175.340 176.094 0.016 0.000 1.031 21 V CA -0.710 61.597 62.300 0.011 0.000 0.871 21 V CB 2.138 33.968 31.823 0.012 0.000 0.988 21 V HN 0.777 nan 8.190 nan 0.000 0.432 22 D N 3.074 123.479 120.400 0.008 0.000 2.303 22 D HA 0.585 5.225 4.640 0.000 0.000 0.236 22 D C -0.557 175.744 176.300 0.001 0.000 1.068 22 D CA 0.009 54.016 54.000 0.011 0.000 0.830 22 D CB 2.073 42.876 40.800 0.006 0.000 1.109 22 D HN 0.288 nan 8.370 nan 0.000 0.496 23 V N 2.130 122.058 119.914 0.023 0.000 2.628 23 V HA 0.459 4.579 4.120 0.000 0.000 0.306 23 V C -0.158 175.939 176.094 0.005 0.000 1.045 23 V CA -0.933 61.356 62.300 -0.018 0.000 0.905 23 V CB 2.080 33.915 31.823 0.020 0.000 0.997 23 V HN 0.392 nan 8.190 nan 0.000 0.436 24 Q N 2.490 122.206 119.800 -0.140 0.000 2.325 24 Q HA 0.590 4.930 4.340 0.000 0.000 0.270 24 Q C -2.145 173.727 176.000 -0.213 0.000 1.020 24 Q CA -0.495 55.269 55.803 -0.065 0.000 0.785 24 Q CB 1.642 30.346 28.738 -0.056 0.000 1.259 24 Q HN 0.647 nan 8.270 nan 0.000 0.452 25 F N 2.552 122.470 119.950 -0.054 0.000 2.444 25 F HA 0.268 4.795 4.527 0.000 0.000 0.342 25 F C 0.960 176.739 175.800 -0.036 0.000 1.121 25 F CA -0.731 57.242 58.000 -0.044 0.000 0.997 25 F CB 1.524 40.493 39.000 -0.052 0.000 1.130 25 F HN 0.597 nan 8.300 nan 0.000 0.454 26 D N 1.289 121.751 120.400 0.104 0.000 2.144 26 D HA -0.093 4.547 4.640 0.000 0.000 0.199 26 D C 0.077 176.419 176.300 0.070 0.000 0.984 26 D CA 1.381 55.417 54.000 0.060 0.000 0.834 26 D CB 0.352 41.168 40.800 0.027 0.000 0.955 26 D HN 0.531 nan 8.370 nan 0.000 0.465 27 E N -0.338 119.919 120.200 0.095 0.000 2.292 27 E HA 0.444 4.794 4.350 0.000 0.000 0.272 27 E C -0.112 176.522 176.600 0.058 0.000 0.881 27 E CA -0.717 55.721 56.400 0.063 0.000 0.754 27 E CB 2.494 32.220 29.700 0.044 0.000 1.201 27 E HN 0.073 nan 8.360 nan 0.000 0.425 28 G N 3.000 111.811 108.800 0.018 0.000 2.515 28 G HA2 -0.251 3.709 3.960 0.000 0.000 0.208 28 G HA3 -0.251 3.709 3.960 0.000 0.000 0.208 28 G C -0.235 174.600 174.900 -0.108 0.000 0.737 28 G CA -0.177 44.908 45.100 -0.024 0.000 0.987 28 G HN 0.366 nan 8.290 nan 0.000 0.307 29 L N 4.641 125.782 121.223 -0.137 0.000 2.380 29 L HA 0.321 4.661 4.340 0.000 0.000 0.273 29 L C -1.056 175.616 176.870 -0.329 0.000 1.138 29 L CA -1.812 52.835 54.840 -0.322 0.000 0.832 29 L CB 0.825 42.711 42.059 -0.290 0.000 1.124 29 L HN 0.354 nan 8.230 nan 0.000 0.454 30 P HA 0.075 nan 4.420 nan 0.000 0.262 30 P C -2.471 174.787 177.300 -0.071 0.000 1.199 30 P CA -0.947 61.946 63.100 -0.346 0.000 0.763 30 P CB -0.164 31.248 31.700 -0.479 0.000 0.790 31 P HA 0.075 nan 4.420 nan 0.000 0.270 31 P C 0.528 177.860 177.300 0.053 0.000 1.227 31 P CA 0.033 63.161 63.100 0.046 0.000 0.788 31 P CB 0.653 32.336 31.700 -0.028 0.000 0.926 32 I N 1.985 122.554 120.570 -0.003 0.000 2.710 32 I HA -0.101 4.069 4.170 0.000 0.000 0.286 32 I C 1.650 177.723 176.117 -0.075 0.000 1.181 32 I CA 0.589 61.874 61.300 -0.025 0.000 1.430 32 I CB -0.299 37.650 38.000 -0.084 0.000 1.367 32 I HN 0.429 nan 8.210 nan 0.000 0.577 33 L N 2.447 123.618 121.223 -0.087 0.000 4.110 33 L HA -0.247 4.093 4.340 0.000 0.000 0.404 33 L C 0.638 177.484 176.870 -0.040 0.000 0.763 33 L CA 0.259 55.006 54.840 -0.156 0.000 2.413 33 L CB -1.546 40.308 42.059 -0.340 0.000 1.244 33 L HN 0.731 nan 8.230 nan 0.000 0.614 34 N N 0.677 119.366 118.700 -0.018 0.000 2.441 34 N HA 0.374 5.114 4.740 0.000 0.000 0.251 34 N C 0.357 175.882 175.510 0.024 0.000 1.242 34 N CA 0.600 53.651 53.050 0.000 0.000 0.898 34 N CB 0.744 39.214 38.487 -0.028 0.000 1.100 34 N HN 0.292 nan 8.380 nan 0.000 0.443 35 A N 3.169 126.008 122.820 0.031 0.000 2.289 35 A HA 0.467 4.787 4.320 0.000 0.000 0.298 35 A C -0.283 177.325 177.584 0.039 0.000 1.208 35 A CA -0.503 51.558 52.037 0.040 0.000 0.845 35 A CB 0.311 19.333 19.000 0.036 0.000 1.125 35 A HN 0.570 nan 8.150 nan 0.000 0.517 36 L N 2.336 123.593 121.223 0.056 0.000 2.329 36 L HA 0.476 4.816 4.340 0.000 0.000 0.279 36 L C -0.231 176.672 176.870 0.055 0.000 1.014 36 L CA -0.717 54.171 54.840 0.079 0.000 0.814 36 L CB 1.681 43.816 42.059 0.126 0.000 1.257 36 L HN 0.610 nan 8.230 nan 0.000 0.424 37 E N 2.909 123.138 120.200 0.048 0.000 2.133 37 E HA 0.324 4.674 4.350 0.000 0.000 0.274 37 E C -0.808 175.804 176.600 0.020 0.000 0.930 37 E CA -0.576 55.840 56.400 0.026 0.000 0.770 37 E CB 2.532 32.240 29.700 0.013 0.000 1.104 37 E HN 0.206 nan 8.360 nan 0.000 0.403 38 V N 3.528 123.450 119.914 0.012 0.000 2.530 38 V HA 0.072 4.192 4.120 0.000 0.000 0.282 38 V C 0.613 176.704 176.094 -0.005 0.000 1.048 38 V CA -0.693 61.606 62.300 -0.001 0.000 0.997 38 V CB 0.966 32.788 31.823 -0.001 0.000 0.987 38 V HN 0.481 nan 8.190 nan 0.000 0.477 39 Q N 2.023 121.815 119.800 -0.014 0.000 2.256 39 Q HA 0.453 4.793 4.340 0.000 0.000 0.232 39 Q C 1.084 177.076 176.000 -0.013 0.000 0.965 39 Q CA 0.403 56.197 55.803 -0.014 0.000 0.908 39 Q CB 1.111 29.838 28.738 -0.019 0.000 1.209 39 Q HN 1.216 nan 8.270 nan 0.000 0.489 40 G N 1.570 110.363 108.800 -0.011 0.000 2.298 40 G HA2 -0.289 3.671 3.960 0.000 0.000 0.287 40 G HA3 -0.289 3.671 3.960 0.000 0.000 0.287 40 G C -0.138 174.758 174.900 -0.007 0.000 1.075 40 G CA 0.411 45.505 45.100 -0.010 0.000 0.960 40 G HN 0.385 nan 8.290 nan 0.000 0.502 41 R N -1.036 119.461 120.500 -0.005 0.000 2.795 41 R HA 0.414 4.754 4.340 0.000 0.000 0.275 41 R C 0.964 177.264 176.300 -0.000 0.000 0.981 41 R CA -0.929 55.170 56.100 -0.002 0.000 0.917 41 R CB 1.105 31.404 30.300 -0.001 0.000 1.202 41 R HN 0.149 nan 8.270 nan 0.000 0.469 42 E N 0.569 120.769 120.200 0.001 0.000 2.006 42 E HA -0.105 4.245 4.350 0.000 0.000 0.192 42 E C 1.053 177.656 176.600 0.004 0.000 0.993 42 E CA 1.772 58.173 56.400 0.003 0.000 0.808 42 E CB -0.215 29.486 29.700 0.003 0.000 0.764 42 E HN 0.711 nan 8.360 nan 0.000 0.449 43 T N -0.910 113.647 114.554 0.005 0.000 2.833 43 T HA 0.331 4.681 4.350 0.000 0.000 0.292 43 T C 0.421 175.125 174.700 0.007 0.000 1.031 43 T CA -0.724 61.381 62.100 0.007 0.000 0.937 43 T CB 1.313 70.186 68.868 0.009 0.000 1.256 43 T HN -0.118 nan 8.240 nan 0.000 0.551 44 R N 0.167 120.672 120.500 0.009 0.000 2.265 44 R HA 0.544 4.884 4.340 0.000 0.000 0.319 44 R C -1.355 174.952 176.300 0.012 0.000 1.006 44 R CA -0.747 55.359 56.100 0.010 0.000 0.880 44 R CB 0.539 30.845 30.300 0.011 0.000 1.077 44 R HN 0.538 nan 8.270 nan 0.000 0.454 45 L N 5.527 126.756 121.223 0.011 0.000 2.316 45 L HA 0.383 4.723 4.340 0.000 0.000 0.280 45 L C -1.228 175.652 176.870 0.018 0.000 1.006 45 L CA -0.495 54.353 54.840 0.014 0.000 0.836 45 L CB 1.787 43.852 42.059 0.010 0.000 1.221 45 L HN 0.311 nan 8.230 nan 0.000 0.418 46 V N 6.232 126.159 119.914 0.023 0.000 2.472 46 V HA 0.489 4.609 4.120 0.000 0.000 0.290 46 V C -0.154 175.961 176.094 0.035 0.000 1.037 46 V CA -0.551 61.766 62.300 0.029 0.000 0.908 46 V CB 1.802 33.644 31.823 0.031 0.000 0.985 46 V HN 0.562 nan 8.190 nan 0.000 0.454 47 L N 4.213 125.461 121.223 0.043 0.000 2.325 47 L HA 0.571 4.911 4.340 0.000 0.000 0.281 47 L C -0.027 176.876 176.870 0.056 0.000 1.004 47 L CA -0.290 54.579 54.840 0.048 0.000 0.823 47 L CB 1.746 43.835 42.059 0.051 0.000 1.236 47 L HN 0.613 nan 8.230 nan 0.000 0.415 48 E N 2.982 123.216 120.200 0.057 0.000 2.146 48 E HA 0.316 4.666 4.350 0.000 0.000 0.282 48 E C -0.873 175.755 176.600 0.046 0.000 0.989 48 E CA -0.739 55.698 56.400 0.060 0.000 0.799 48 E CB 1.642 31.395 29.700 0.087 0.000 1.088 48 E HN 0.342 nan 8.360 nan 0.000 0.397 49 V N 4.049 123.985 119.914 0.036 0.000 2.585 49 V HA 0.098 4.218 4.120 0.000 0.000 0.296 49 V C 0.923 177.033 176.094 0.026 0.000 1.035 49 V CA 0.848 63.171 62.300 0.038 0.000 1.084 49 V CB 0.927 32.772 31.823 0.036 0.000 0.953 49 V HN 0.878 nan 8.190 nan 0.000 0.483 50 A N 3.853 126.697 122.820 0.040 0.000 2.074 50 A HA 0.356 4.676 4.320 0.000 0.000 0.200 50 A C 0.666 178.275 177.584 0.041 0.000 1.335 50 A CA 0.148 52.199 52.037 0.024 0.000 0.922 50 A CB 0.465 19.477 19.000 0.020 0.000 0.972 50 A HN 0.742 nan 8.150 nan 0.000 0.475 51 Q N -0.842 119.012 119.800 0.090 0.000 2.462 51 Q HA 0.384 4.724 4.340 0.000 0.000 0.285 51 Q C -1.731 174.419 176.000 0.250 0.000 1.035 51 Q CA -0.598 55.276 55.803 0.117 0.000 0.799 51 Q CB 2.030 30.808 28.738 0.066 0.000 1.452 51 Q HN 0.633 nan 8.270 nan 0.000 0.404 52 H N 2.263 121.327 119.070 -0.010 0.000 2.595 52 H HA 0.253 4.809 4.556 0.000 0.000 0.313 52 H C 0.561 175.890 175.328 0.002 0.000 1.023 52 H CA -0.241 55.804 56.048 -0.005 0.000 1.218 52 H CB 1.120 30.873 29.762 -0.015 0.000 1.403 52 H HN 0.460 nan 8.280 nan 0.000 0.477 53 L N 2.649 123.921 121.223 0.083 0.000 2.240 53 L HA 0.126 4.466 4.340 0.000 0.000 0.211 53 L C 1.227 178.125 176.870 0.047 0.000 1.106 53 L CA 0.728 55.599 54.840 0.052 0.000 0.793 53 L CB -0.072 42.005 42.059 0.030 0.000 0.927 53 L HN 0.850 nan 8.230 nan 0.000 0.446 54 G N -0.028 108.801 108.800 0.048 0.000 2.555 54 G HA2 -0.129 3.831 3.960 0.000 0.000 0.686 54 G HA3 -0.129 3.831 3.960 0.000 0.000 0.686 54 G C -0.156 174.757 174.900 0.022 0.000 1.275 54 G CA -0.482 44.641 45.100 0.039 0.000 0.871 54 G HN 0.300 nan 8.290 nan 0.000 0.603 55 E N -0.853 119.360 120.200 0.020 0.000 2.320 55 E HA -0.161 4.189 4.350 0.000 0.000 0.234 55 E C 0.983 177.592 176.600 0.015 0.000 1.183 55 E CA 1.030 57.440 56.400 0.015 0.000 0.713 55 E CB -1.594 28.113 29.700 0.012 0.000 1.226 55 E HN 2.050 nan 8.360 nan 0.000 0.382 56 S N -2.044 113.665 115.700 0.015 0.000 3.476 56 S HA -0.211 4.259 4.470 0.000 0.000 0.309 56 S C 0.142 174.762 174.600 0.034 0.000 1.222 56 S CA 1.510 59.724 58.200 0.023 0.000 0.922 56 S CB -0.965 62.261 63.200 0.044 0.000 1.023 56 S HN 0.492 nan 8.310 nan 0.000 0.591 57 T N 1.519 116.072 114.554 -0.000 0.000 2.807 57 T HA 0.626 4.976 4.350 0.000 0.000 0.279 57 T C 0.178 174.854 174.700 -0.040 0.000 0.993 57 T CA -0.428 61.677 62.100 0.009 0.000 0.970 57 T CB 1.857 70.731 68.868 0.010 0.000 0.950 57 T HN 0.462 nan 8.240 nan 0.000 0.441 58 V N 1.271 121.180 119.914 -0.009 0.000 2.667 58 V HA 0.760 4.880 4.120 0.000 0.000 0.308 58 V C -0.229 175.883 176.094 0.029 0.000 1.048 58 V CA -1.396 60.881 62.300 -0.038 0.000 0.928 58 V CB 1.710 33.484 31.823 -0.081 0.000 1.004 58 V HN 0.880 nan 8.190 nan 0.000 0.444 59 R N 2.328 122.849 120.500 0.036 0.000 2.338 59 R HA 0.737 5.077 4.340 0.000 0.000 0.317 59 R C -0.230 176.096 176.300 0.043 0.000 0.968 59 R CA 0.211 56.334 56.100 0.038 0.000 0.849 59 R CB 1.573 31.893 30.300 0.033 0.000 1.128 59 R HN 1.138 nan 8.270 nan 0.000 0.448 60 T N 1.836 116.414 114.554 0.040 0.000 2.916 60 T HA 0.544 4.894 4.350 0.000 0.000 0.292 60 T C 0.081 174.800 174.700 0.032 0.000 1.055 60 T CA -1.032 61.092 62.100 0.041 0.000 1.009 60 T CB 1.212 70.111 68.868 0.052 0.000 1.118 60 T HN 0.568 nan 8.240 nan 0.000 0.497 61 I N 0.152 120.742 120.570 0.033 0.000 2.355 61 I HA 0.782 4.952 4.170 0.000 0.000 0.288 61 I C 0.329 176.465 176.117 0.032 0.000 0.999 61 I CA -1.365 59.952 61.300 0.028 0.000 1.163 61 I CB 1.001 39.017 38.000 0.027 0.000 1.316 61 I HN 0.862 nan 8.210 nan 0.000 0.454 62 A N 7.157 129.992 122.820 0.025 0.000 2.477 62 A HA 0.412 4.732 4.320 0.000 0.000 0.246 62 A C 0.928 178.528 177.584 0.026 0.000 1.078 62 A CA -0.319 51.733 52.037 0.025 0.000 0.770 62 A CB 0.380 19.391 19.000 0.018 0.000 1.011 62 A HN 0.867 nan 8.150 nan 0.000 0.494 63 M N 0.850 120.467 119.600 0.029 0.000 2.495 63 M HA 0.172 4.652 4.480 0.000 0.000 0.237 63 M C -0.043 176.272 176.300 0.025 0.000 1.131 63 M CA 0.638 55.956 55.300 0.030 0.000 1.032 63 M CB -1.202 31.419 32.600 0.035 0.000 1.513 63 M HN 0.854 nan 8.290 nan 0.000 0.488 64 D N -1.200 119.212 120.400 0.021 0.000 2.838 64 D HA 0.491 5.131 4.640 0.000 0.000 0.334 64 D C -0.538 175.770 176.300 0.014 0.000 1.315 64 D CA -0.252 53.758 54.000 0.017 0.000 0.917 64 D CB 0.790 41.601 40.800 0.017 0.000 1.435 64 D HN 0.081 nan 8.370 nan 0.000 0.517 65 G N -1.016 107.791 108.800 0.011 0.000 2.432 65 G HA2 0.379 4.339 3.960 0.000 0.000 0.239 65 G HA3 0.379 4.339 3.960 0.000 0.000 0.239 65 G C 0.816 175.720 174.900 0.007 0.000 1.291 65 G CA 0.534 45.639 45.100 0.009 0.000 0.863 65 G HN 0.434 nan 8.290 nan 0.000 0.560 66 T N -0.989 113.568 114.554 0.006 0.000 3.069 66 T HA 0.115 4.465 4.350 0.000 0.000 0.252 66 T C 0.849 175.550 174.700 0.001 0.000 1.053 66 T CA 0.056 62.158 62.100 0.004 0.000 0.964 66 T CB 0.012 68.882 68.868 0.004 0.000 1.005 66 T HN 0.658 nan 8.240 nan 0.000 0.532 67 E N 2.173 122.374 120.200 0.002 0.000 2.529 67 E HA 0.209 4.559 4.350 0.000 0.000 0.259 67 E C 1.165 177.765 176.600 -0.001 0.000 0.966 67 E CA 0.944 57.344 56.400 0.000 0.000 0.937 67 E CB -0.118 29.583 29.700 0.001 0.000 0.923 67 E HN 0.523 nan 8.360 nan 0.000 0.468 68 G N 2.900 111.698 108.800 -0.003 0.000 2.213 68 G HA2 -0.268 3.692 3.960 0.000 0.000 0.236 68 G HA3 -0.268 3.692 3.960 0.000 0.000 0.236 68 G C 0.369 175.265 174.900 -0.007 0.000 0.991 68 G CA 0.096 45.194 45.100 -0.004 0.000 0.629 68 G HN 0.499 nan 8.290 nan 0.000 0.517 69 L N 1.136 122.354 121.223 -0.007 0.000 2.485 69 L HA 0.439 4.779 4.340 0.000 0.000 0.275 69 L C 0.623 177.485 176.870 -0.013 0.000 1.207 69 L CA -0.173 54.661 54.840 -0.011 0.000 0.855 69 L CB 1.072 43.125 42.059 -0.010 0.000 1.114 69 L HN 0.020 nan 8.230 nan 0.000 0.485 70 V N 3.328 123.231 119.914 -0.018 0.000 2.555 70 V HA 0.350 4.470 4.120 0.000 0.000 0.302 70 V C 0.136 176.214 176.094 -0.026 0.000 1.038 70 V CA -0.949 61.339 62.300 -0.020 0.000 0.887 70 V CB 1.785 33.596 31.823 -0.020 0.000 0.991 70 V HN 0.647 nan 8.190 nan 0.000 0.434 71 R N 2.604 123.088 120.500 -0.025 0.000 2.446 71 R HA 0.417 4.757 4.340 0.000 0.000 0.325 71 R C 1.237 177.515 176.300 -0.036 0.000 0.997 71 R CA 1.077 57.158 56.100 -0.031 0.000 1.010 71 R CB -0.033 30.252 30.300 -0.026 0.000 0.946 71 R HN 1.186 nan 8.270 nan 0.000 0.422 72 G N 2.099 110.869 108.800 -0.049 0.000 2.380 72 G HA2 -0.263 3.698 3.960 0.000 0.000 0.197 72 G HA3 -0.263 3.698 3.960 0.000 0.000 0.197 72 G C 0.153 175.016 174.900 -0.061 0.000 1.001 72 G CA -0.461 44.606 45.100 -0.054 0.000 0.668 72 G HN 0.562 nan 8.290 nan 0.000 0.483 73 Q N 1.549 121.317 119.800 -0.053 0.000 2.304 73 Q HA 0.380 4.720 4.340 0.000 0.000 0.301 73 Q C 0.298 176.255 176.000 -0.073 0.000 1.063 73 Q CA 0.567 56.339 55.803 -0.052 0.000 0.947 73 Q CB 0.284 28.998 28.738 -0.039 0.000 1.201 73 Q HN 0.430 nan 8.270 nan 0.000 0.389 74 K N 1.873 122.232 120.400 -0.068 0.000 2.218 74 K HA 0.356 4.676 4.320 0.000 0.000 0.276 74 K C -1.216 175.335 176.600 -0.082 0.000 1.022 74 K CA -0.428 55.806 56.287 -0.089 0.000 0.946 74 K CB 1.169 33.628 32.500 -0.067 0.000 1.000 74 K HN 0.337 nan 8.250 nan 0.000 0.468 75 V N 4.412 124.254 119.914 -0.120 0.000 2.577 75 V HA 0.310 4.430 4.120 0.000 0.000 0.303 75 V C -0.893 175.191 176.094 -0.016 0.000 1.042 75 V CA -0.962 61.297 62.300 -0.069 0.000 0.872 75 V CB 1.603 33.377 31.823 -0.081 0.000 0.998 75 V HN 0.610 nan 8.190 nan 0.000 0.423 76 L N 3.557 124.811 121.223 0.051 0.000 2.272 76 L HA 0.617 4.957 4.340 0.000 0.000 0.289 76 L C -0.104 176.853 176.870 0.146 0.000 1.032 76 L CA -0.255 54.645 54.840 0.100 0.000 0.810 76 L CB 1.343 43.431 42.059 0.047 0.000 1.205 76 L HN 0.755 nan 8.230 nan 0.000 0.422 77 D N 2.296 122.828 120.400 0.219 0.000 2.371 77 D HA 0.029 4.669 4.640 0.000 0.000 0.256 77 D C 1.049 177.374 176.300 0.040 0.000 1.193 77 D CA 0.423 54.487 54.000 0.108 0.000 0.881 77 D CB 1.439 42.238 40.800 -0.002 0.000 1.143 77 D HN 0.616 nan 8.370 nan 0.000 0.473 78 S N 2.609 118.318 115.700 0.016 0.000 2.461 78 S HA 0.166 4.636 4.470 0.000 0.000 0.228 78 S C 1.717 176.303 174.600 -0.022 0.000 1.005 78 S CA 0.478 58.673 58.200 -0.009 0.000 0.942 78 S CB 0.039 63.227 63.200 -0.020 0.000 0.776 78 S HN 0.931 nan 8.310 nan 0.000 0.514 79 G N 0.306 109.092 108.800 -0.024 0.000 2.195 79 G HA2 0.153 4.113 3.960 0.000 0.000 0.224 79 G HA3 0.153 4.113 3.960 0.000 0.000 0.224 79 G C 0.092 174.977 174.900 -0.024 0.000 0.990 79 G CA -0.271 44.811 45.100 -0.029 0.000 0.639 79 G HN 1.477 nan 8.290 nan 0.000 0.514 80 A N -0.188 122.622 122.820 -0.017 0.000 2.602 80 A HA 0.931 5.251 4.320 0.000 0.000 0.290 80 A C -2.785 174.808 177.584 0.015 0.000 1.114 80 A CA -0.685 51.350 52.037 -0.003 0.000 0.683 80 A CB 1.456 20.454 19.000 -0.003 0.000 1.281 80 A HN 0.191 nan 8.150 nan 0.000 0.416 81 P HA 0.161 nan 4.420 nan 0.000 0.272 81 P C -0.150 177.195 177.300 0.076 0.000 1.248 81 P CA 0.052 63.209 63.100 0.095 0.000 0.799 81 P CB 0.196 32.005 31.700 0.182 0.000 0.997 82 I N 0.975 121.601 120.570 0.093 0.000 2.919 82 I HA -0.123 4.047 4.170 0.000 0.000 0.299 82 I C 1.394 177.536 176.117 0.041 0.000 1.221 82 I CA 0.856 62.188 61.300 0.052 0.000 1.424 82 I CB -0.105 37.924 38.000 0.050 0.000 1.358 82 I HN 0.037 nan 8.210 nan 0.000 0.551 83 R N 8.027 128.543 120.500 0.026 0.000 2.265 83 R HA 0.571 4.911 4.340 0.000 0.000 0.319 83 R C -0.517 175.874 176.300 0.152 0.000 1.006 83 R CA -0.751 55.383 56.100 0.056 0.000 0.880 83 R CB 1.197 31.464 30.300 -0.055 0.000 1.077 83 R HN 0.609 nan 8.270 nan 0.000 0.454 84 I N -0.301 120.393 120.570 0.206 0.000 2.646 84 I HA 0.544 4.714 4.170 0.000 0.000 0.299 84 I C -2.420 173.789 176.117 0.154 0.000 1.036 84 I CA -3.019 58.398 61.300 0.194 0.000 1.074 84 I CB 2.385 40.417 38.000 0.052 0.000 1.258 84 I HN 0.266 nan 8.210 nan 0.000 0.430 85 P HA 0.069 nan 4.420 nan 0.000 0.263 85 P C -0.495 176.589 177.300 -0.359 0.000 1.195 85 P CA 0.108 62.908 63.100 -0.501 0.000 0.762 85 P CB 0.948 32.408 31.700 -0.400 0.000 0.799 86 V N 0.477 120.110 119.914 -0.467 0.000 3.001 86 V HA 1.026 5.146 4.120 0.000 0.000 0.314 86 V C 0.068 175.671 176.094 -0.817 0.000 1.099 86 V CA -0.243 61.733 62.300 -0.539 0.000 0.989 86 V CB 1.583 33.129 31.823 -0.461 0.000 1.040 86 V HN 0.947 nan 8.190 nan 0.000 0.434 87 G N 2.612 110.784 108.800 -1.046 0.000 2.359 87 G HA2 0.264 4.224 3.960 0.000 0.000 0.303 87 G HA3 0.264 4.224 3.960 0.000 0.000 0.303 87 G C -3.034 171.714 174.900 -0.254 0.000 1.293 87 G CA 0.063 44.601 45.100 -0.936 0.000 0.964 87 G HN 0.597 nan 8.290 nan 0.000 0.531 88 P HA 0.124 nan 4.420 nan 0.000 0.231 88 P C 1.235 178.583 177.300 0.080 0.000 1.168 88 P CA 1.105 64.376 63.100 0.285 0.000 0.779 88 P CB 0.163 32.047 31.700 0.306 0.000 0.844 89 E N -0.245 119.946 120.200 -0.014 0.000 2.511 89 E HA -0.048 4.302 4.350 0.000 0.000 0.196 89 E C 0.916 177.481 176.600 -0.058 0.000 1.066 89 E CA 1.147 57.519 56.400 -0.046 0.000 0.871 89 E CB -1.044 28.613 29.700 -0.072 0.000 0.863 89 E HN 0.361 nan 8.360 nan 0.000 0.520 90 T N -1.331 113.196 114.554 -0.044 0.000 3.081 90 T HA 0.171 4.521 4.350 0.000 0.000 0.250 90 T C 0.962 175.658 174.700 -0.007 0.000 1.100 90 T CA -0.267 61.808 62.100 -0.042 0.000 1.038 90 T CB -0.157 68.678 68.868 -0.054 0.000 0.962 90 T HN -0.021 nan 8.240 nan 0.000 0.516 91 L N 1.859 123.083 121.223 0.003 0.000 2.410 91 L HA 0.509 4.849 4.340 0.000 0.000 0.273 91 L C 1.606 178.441 176.870 -0.058 0.000 1.144 91 L CA 0.789 55.603 54.840 -0.043 0.000 0.863 91 L CB 0.474 42.444 42.059 -0.149 0.000 1.140 91 L HN 0.501 nan 8.230 nan 0.000 0.463 92 G N 1.829 110.599 108.800 -0.049 0.000 2.205 92 G HA2 -0.217 3.743 3.960 0.000 0.000 0.261 92 G HA3 -0.217 3.743 3.960 0.000 0.000 0.261 92 G C 0.387 175.276 174.900 -0.018 0.000 0.980 92 G CA -0.392 44.696 45.100 -0.020 0.000 0.632 92 G HN 0.449 nan 8.290 nan 0.000 0.533 93 R N 0.003 120.463 120.500 -0.067 0.000 2.532 93 R HA 0.722 5.062 4.340 0.000 0.000 0.272 93 R C 0.300 176.474 176.300 -0.211 0.000 1.032 93 R CA -0.798 55.233 56.100 -0.116 0.000 1.089 93 R CB 0.735 30.980 30.300 -0.092 0.000 1.098 93 R HN 0.323 nan 8.270 nan 0.000 0.526 94 I N 3.416 123.809 120.570 -0.295 0.000 2.389 94 I HA 0.353 4.523 4.170 0.000 0.000 0.288 94 I C 0.482 176.458 176.117 -0.234 0.000 0.999 94 I CA -0.607 60.459 61.300 -0.390 0.000 1.129 94 I CB 1.382 39.025 38.000 -0.595 0.000 1.288 94 I HN 0.436 nan 8.210 nan 0.000 0.444 95 M N 4.019 123.513 119.600 -0.177 0.000 2.777 95 M HA 0.618 5.098 4.480 0.000 0.000 0.307 95 M C -0.790 175.492 176.300 -0.030 0.000 1.228 95 M CA -0.657 54.592 55.300 -0.085 0.000 0.871 95 M CB 1.633 34.196 32.600 -0.062 0.000 1.721 95 M HN 0.260 nan 8.290 nan 0.000 0.487 96 N N -0.098 118.601 118.700 -0.002 0.000 2.374 96 N HA 0.327 5.067 4.740 0.000 0.000 0.284 96 N C 0.943 176.472 175.510 0.032 0.000 1.280 96 N CA -0.421 52.645 53.050 0.027 0.000 0.963 96 N CB 0.899 39.400 38.487 0.024 0.000 1.141 96 N HN 0.633 nan 8.380 nan 0.000 0.565 97 V N 0.306 120.243 119.914 0.037 0.000 2.379 97 V HA -0.130 3.990 4.120 0.000 0.000 0.245 97 V C 1.691 177.799 176.094 0.024 0.000 1.044 97 V CA 1.561 63.879 62.300 0.030 0.000 1.036 97 V CB -0.830 31.013 31.823 0.034 0.000 0.664 97 V HN 0.698 nan 8.190 nan 0.000 0.453 98 I N -0.493 120.095 120.570 0.029 0.000 3.749 98 I HA 0.595 4.765 4.170 0.000 0.000 0.314 98 I C 1.204 177.349 176.117 0.046 0.000 1.267 98 I CA 0.535 61.855 61.300 0.034 0.000 1.169 98 I CB -0.658 37.361 38.000 0.032 0.000 1.009 98 I HN 0.291 nan 8.210 nan 0.000 0.444 99 G N 1.474 110.295 108.800 0.036 0.000 2.326 99 G HA2 -0.237 3.723 3.960 0.000 0.000 0.286 99 G HA3 -0.237 3.723 3.960 0.000 0.000 0.286 99 G C -0.359 174.563 174.900 0.036 0.000 1.096 99 G CA -0.183 44.938 45.100 0.034 0.000 1.003 99 G HN 0.650 nan 8.290 nan 0.000 0.503 100 E N 0.749 120.959 120.200 0.018 0.000 2.199 100 E HA 0.402 4.752 4.350 0.000 0.000 0.269 100 E C -2.309 174.283 176.600 -0.014 0.000 0.899 100 E CA -2.310 54.097 56.400 0.012 0.000 0.772 100 E CB 2.292 32.002 29.700 0.017 0.000 1.155 100 E HN 0.150 nan 8.360 nan 0.000 0.408 101 P HA 0.010 nan 4.420 nan 0.000 0.265 101 P C 0.078 177.351 177.300 -0.044 0.000 1.222 101 P CA 0.517 63.589 63.100 -0.046 0.000 0.767 101 P CB -0.001 31.677 31.700 -0.036 0.000 0.801 102 I N 0.241 120.769 120.570 -0.070 0.000 4.009 102 I HA 0.221 4.391 4.170 0.000 0.000 0.331 102 I C 0.552 176.609 176.117 -0.099 0.000 1.462 102 I CA -0.204 61.061 61.300 -0.058 0.000 1.117 102 I CB -0.005 37.978 38.000 -0.028 0.000 1.091 102 I HN 0.011 nan 8.210 nan 0.000 0.410 103 D N 0.736 121.049 120.400 -0.144 0.000 2.340 103 D HA -0.030 4.610 4.640 0.000 0.000 0.217 103 D C 0.365 176.631 176.300 -0.056 0.000 1.081 103 D CA -0.044 53.846 54.000 -0.183 0.000 0.842 103 D CB -0.298 40.300 40.800 -0.337 0.000 0.934 103 D HN 0.478 nan 8.370 nan 0.000 0.511 104 E N 0.019 120.199 120.200 -0.033 0.000 2.586 104 E HA -0.245 4.105 4.350 0.000 0.000 0.259 104 E C -0.088 176.516 176.600 0.007 0.000 1.107 104 E CA 0.296 56.695 56.400 -0.002 0.000 0.754 104 E CB -1.511 28.199 29.700 0.017 0.000 1.335 104 E HN 0.515 nan 8.360 nan 0.000 0.411 105 R N 0.242 120.740 120.500 -0.004 0.000 2.791 105 R HA 0.320 4.660 4.340 0.000 0.000 0.357 105 R C 0.824 177.121 176.300 -0.005 0.000 1.173 105 R CA 0.320 56.423 56.100 0.004 0.000 1.060 105 R CB 1.029 31.335 30.300 0.009 0.000 1.406 105 R HN 0.316 nan 8.270 nan 0.000 0.580 106 G N 2.545 111.342 108.800 -0.004 0.000 2.855 106 G HA2 -0.235 3.726 3.960 0.000 0.000 0.352 106 G HA3 -0.235 3.726 3.960 0.000 0.000 0.352 106 G C -2.424 172.469 174.900 -0.011 0.000 1.415 106 G CA -1.138 43.959 45.100 -0.005 0.000 0.871 106 G HN 0.125 nan 8.290 nan 0.000 0.543 107 P HA 0.323 nan 4.420 nan 0.000 0.269 107 P C 0.070 177.355 177.300 -0.026 0.000 1.217 107 P CA 0.014 63.110 63.100 -0.008 0.000 0.783 107 P CB 0.336 32.039 31.700 0.005 0.000 0.898 108 I N 2.114 122.660 120.570 -0.040 0.000 2.281 108 I HA 0.132 4.302 4.170 0.000 0.000 0.293 108 I C 1.082 177.139 176.117 -0.100 0.000 1.085 108 I CA -0.268 60.987 61.300 -0.075 0.000 1.257 108 I CB 0.138 38.079 38.000 -0.099 0.000 1.430 108 I HN -0.067 nan 8.210 nan 0.000 0.489 109 K N 6.142 126.493 120.400 -0.083 0.000 2.155 109 K HA 0.173 4.493 4.320 0.000 0.000 0.240 109 K C 0.252 176.777 176.600 -0.124 0.000 1.193 109 K CA -0.122 56.115 56.287 -0.083 0.000 1.104 109 K CB -0.193 32.279 32.500 -0.047 0.000 1.558 109 K HN 0.653 nan 8.250 nan 0.000 0.313 110 T N -1.872 112.556 114.554 -0.210 0.000 2.929 110 T HA 0.350 4.700 4.350 0.000 0.000 0.284 110 T C 1.060 175.606 174.700 -0.256 0.000 1.014 110 T CA -0.856 61.084 62.100 -0.266 0.000 1.051 110 T CB 1.746 70.373 68.868 -0.403 0.000 1.028 110 T HN 0.125 nan 8.240 nan 0.000 0.485 111 K N 0.673 120.956 120.400 -0.195 0.000 2.044 111 K HA 0.082 4.402 4.320 0.000 0.000 0.204 111 K C 0.604 177.132 176.600 -0.120 0.000 1.049 111 K CA 0.930 57.150 56.287 -0.112 0.000 0.945 111 K CB -0.101 32.368 32.500 -0.052 0.000 0.724 111 K HN 0.578 nan 8.250 nan 0.000 0.440 112 Q N -0.508 119.171 119.800 -0.202 0.000 2.215 112 Q HA 0.483 4.823 4.340 0.000 0.000 0.256 112 Q C -0.733 175.078 176.000 -0.314 0.000 0.972 112 Q CA -0.456 55.268 55.803 -0.133 0.000 0.889 112 Q CB 1.020 29.713 28.738 -0.075 0.000 1.281 112 Q HN -0.041 nan 8.270 nan 0.000 0.456 113 F N -0.192 119.715 119.950 -0.072 0.000 2.613 113 F HA 0.893 5.420 4.527 0.000 0.000 0.342 113 F C -0.251 175.517 175.800 -0.054 0.000 1.066 113 F CA -0.939 57.018 58.000 -0.071 0.000 1.002 113 F CB 1.745 40.718 39.000 -0.046 0.000 1.319 113 F HN 0.572 nan 8.300 nan 0.000 0.495 114 A N 0.335 123.256 122.820 0.168 0.000 2.589 114 A HA 0.752 5.072 4.320 0.000 0.000 0.296 114 A C -1.503 176.127 177.584 0.075 0.000 1.062 114 A CA -0.610 51.480 52.037 0.088 0.000 0.686 114 A CB 0.706 19.728 19.000 0.037 0.000 1.282 114 A HN 1.040 nan 8.150 nan 0.000 0.404 115 A N 0.996 123.850 122.820 0.057 0.000 2.425 115 A HA 0.509 4.829 4.320 0.000 0.000 0.249 115 A C 1.100 178.694 177.584 0.017 0.000 1.084 115 A CA 0.179 52.245 52.037 0.048 0.000 0.781 115 A CB -0.457 18.579 19.000 0.061 0.000 1.019 115 A HN 1.682 nan 8.150 nan 0.000 0.490 116 I N -0.655 119.900 120.570 -0.026 0.000 2.617 116 I HA 0.017 4.187 4.170 0.000 0.000 0.256 116 I C 0.381 176.376 176.117 -0.203 0.000 1.167 116 I CA 0.489 61.712 61.300 -0.128 0.000 1.469 116 I CB -0.386 37.500 38.000 -0.191 0.000 1.098 116 I HN 0.501 nan 8.210 nan 0.000 0.436 117 H N 2.778 121.859 119.070 0.017 0.000 2.604 117 H HA 0.762 5.318 4.556 0.000 0.000 0.306 117 H C -0.448 174.887 175.328 0.011 0.000 1.075 117 H CA -0.139 55.918 56.048 0.015 0.000 1.357 117 H CB 1.348 31.119 29.762 0.016 0.000 1.426 117 H HN 0.430 nan 8.280 nan 0.000 0.470 118 A N 3.759 126.647 122.820 0.113 0.000 2.547 118 A HA 0.303 4.623 4.320 0.000 0.000 0.297 118 A C -0.389 177.227 177.584 0.054 0.000 1.056 118 A CA -0.938 51.139 52.037 0.067 0.000 0.688 118 A CB 1.636 20.658 19.000 0.037 0.000 1.282 118 A HN 0.665 nan 8.150 nan 0.000 0.400 119 E N 1.120 121.345 120.200 0.042 0.000 2.383 119 E HA 0.426 4.776 4.350 0.000 0.000 0.264 119 E C 0.478 177.095 176.600 0.028 0.000 1.050 119 E CA -0.046 56.375 56.400 0.035 0.000 0.896 119 E CB 1.183 30.900 29.700 0.029 0.000 0.982 119 E HN 0.815 nan 8.360 nan 0.000 0.424 120 A N 4.244 127.081 122.820 0.028 0.000 2.498 120 A HA 0.195 4.515 4.320 0.000 0.000 0.239 120 A C -1.929 175.668 177.584 0.022 0.000 1.068 120 A CA -1.144 50.906 52.037 0.022 0.000 0.766 120 A CB -0.515 18.503 19.000 0.029 0.000 1.003 120 A HN 0.363 nan 8.150 nan 0.000 0.497 121 P HA -0.029 nan 4.420 nan 0.000 0.263 121 P C -0.049 177.265 177.300 0.023 0.000 1.168 121 P CA 0.413 63.518 63.100 0.008 0.000 0.759 121 P CB 0.352 32.046 31.700 -0.010 0.000 0.782 122 E N 1.652 121.872 120.200 0.032 0.000 2.410 122 E HA -0.023 4.327 4.350 0.000 0.000 0.255 122 E C 0.954 177.606 176.600 0.087 0.000 1.194 122 E CA -0.266 56.176 56.400 0.070 0.000 0.955 122 E CB 0.163 29.904 29.700 0.069 0.000 0.988 122 E HN 0.422 nan 8.360 nan 0.000 0.461 123 F N 1.517 121.465 119.950 -0.003 0.000 2.161 123 F HA -0.243 4.284 4.527 0.000 0.000 0.300 123 F C 1.767 177.563 175.800 -0.007 0.000 1.089 123 F CA 1.525 59.522 58.000 -0.005 0.000 1.282 123 F CB -0.012 38.986 39.000 -0.005 0.000 1.010 123 F HN 0.191 nan 8.300 nan 0.000 0.485 124 V N -0.282 119.685 119.914 0.089 0.000 2.548 124 V HA -0.219 3.901 4.120 0.000 0.000 0.249 124 V C 1.825 177.871 176.094 -0.080 0.000 1.055 124 V CA 1.970 64.273 62.300 0.005 0.000 1.065 124 V CB -1.096 30.772 31.823 0.075 0.000 0.681 124 V HN 0.377 nan 8.190 nan 0.000 0.462 125 E N -0.149 120.013 120.200 -0.063 0.000 2.358 125 E HA 0.040 4.390 4.350 0.000 0.000 0.195 125 E C 0.709 177.246 176.600 -0.105 0.000 1.010 125 E CA 0.104 56.465 56.400 -0.065 0.000 0.856 125 E CB -0.116 29.563 29.700 -0.036 0.000 0.795 125 E HN 0.397 nan 8.360 nan 0.000 0.504 126 M N 1.563 121.061 119.600 -0.170 0.000 2.252 126 M HA 0.034 4.514 4.480 0.000 0.000 0.348 126 M C 0.454 176.646 176.300 -0.179 0.000 1.334 126 M CA 0.204 55.390 55.300 -0.190 0.000 1.071 126 M CB 0.717 33.143 32.600 -0.290 0.000 1.763 126 M HN -0.119 nan 8.290 nan 0.000 0.452 127 S N 2.060 117.684 115.700 -0.127 0.000 2.533 127 S HA 0.231 4.701 4.470 0.000 0.000 0.282 127 S C 1.235 175.766 174.600 -0.116 0.000 1.304 127 S CA -0.740 57.397 58.200 -0.105 0.000 1.063 127 S CB 0.427 63.580 63.200 -0.078 0.000 0.881 127 S HN 0.531 nan 8.310 nan 0.000 0.493 128 V N 1.990 121.842 119.914 -0.104 0.000 3.052 128 V HA 0.366 4.486 4.120 0.000 0.000 0.254 128 V C 0.578 176.633 176.094 -0.065 0.000 1.100 128 V CA 0.338 62.582 62.300 -0.094 0.000 1.112 128 V CB -0.691 31.082 31.823 -0.084 0.000 0.738 128 V HN 0.627 nan 8.190 nan 0.000 0.469 129 E N 1.434 121.600 120.200 -0.058 0.000 2.197 129 E HA 0.386 4.736 4.350 0.000 0.000 0.281 129 E C -0.295 176.277 176.600 -0.046 0.000 0.995 129 E CA -0.233 56.140 56.400 -0.045 0.000 0.808 129 E CB 0.956 30.633 29.700 -0.039 0.000 1.093 129 E HN 0.523 nan 8.360 nan 0.000 0.394 130 Q N 2.151 121.926 119.800 -0.041 0.000 2.261 130 Q HA 0.309 4.649 4.340 0.000 0.000 0.252 130 Q C -0.496 175.481 176.000 -0.038 0.000 0.915 130 Q CA -0.128 55.651 55.803 -0.041 0.000 0.915 130 Q CB 1.592 30.307 28.738 -0.039 0.000 1.204 130 Q HN 0.446 nan 8.270 nan 0.000 0.421 131 E N 2.013 122.190 120.200 -0.039 0.000 2.272 131 E HA 0.363 4.713 4.350 0.000 0.000 0.269 131 E C -1.430 175.149 176.600 -0.035 0.000 0.877 131 E CA -0.663 55.715 56.400 -0.037 0.000 0.755 131 E CB 1.749 31.424 29.700 -0.043 0.000 1.192 131 E HN 0.627 nan 8.360 nan 0.000 0.422 132 I N 5.450 126.004 120.570 -0.027 0.000 2.379 132 I HA 0.221 4.391 4.170 0.000 0.000 0.290 132 I C -1.069 175.031 176.117 -0.030 0.000 1.063 132 I CA -0.605 60.686 61.300 -0.014 0.000 1.351 132 I CB 0.380 38.378 38.000 -0.004 0.000 1.410 132 I HN 0.518 nan 8.210 nan 0.000 0.505 133 L N 9.278 130.474 121.223 -0.045 0.000 2.268 133 L HA 0.359 4.699 4.340 0.000 0.000 0.289 133 L C -0.586 176.246 176.870 -0.063 0.000 1.064 133 L CA -0.170 54.585 54.840 -0.142 0.000 0.824 133 L CB 0.920 42.886 42.059 -0.155 0.000 1.202 133 L HN 0.445 nan 8.230 nan 0.000 0.433 134 V N 4.445 124.361 119.914 0.004 0.000 2.637 134 V HA 0.136 4.256 4.120 0.000 0.000 0.296 134 V C 1.380 177.575 176.094 0.167 0.000 1.046 134 V CA 0.663 63.036 62.300 0.122 0.000 1.066 134 V CB 0.962 32.900 31.823 0.192 0.000 0.968 134 V HN 0.950 nan 8.190 nan 0.000 0.483 135 T N -0.691 113.874 114.554 0.019 0.000 3.001 135 T HA 0.283 4.633 4.350 0.000 0.000 0.251 135 T C 1.345 176.030 174.700 -0.025 0.000 1.040 135 T CA 0.483 62.573 62.100 -0.017 0.000 0.985 135 T CB 0.473 69.239 68.868 -0.171 0.000 1.011 135 T HN 1.514 nan 8.240 nan 0.000 0.509 136 G N 1.947 110.741 108.800 -0.010 0.000 2.198 136 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 136 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 136 G C -0.070 174.827 174.900 -0.005 0.000 1.025 136 G CA 0.253 45.346 45.100 -0.011 0.000 0.769 136 G HN 0.682 nan 8.290 nan 0.000 0.507 137 I N -0.078 120.482 120.570 -0.017 0.000 2.390 137 I HA 0.258 4.428 4.170 0.000 0.000 0.283 137 I C 1.504 177.631 176.117 0.017 0.000 1.016 137 I CA -0.909 60.423 61.300 0.053 0.000 1.151 137 I CB 1.341 39.386 38.000 0.075 0.000 1.293 137 I HN -0.028 nan 8.210 nan 0.000 0.458 138 K N 3.079 123.490 120.400 0.020 0.000 2.077 138 K HA -0.217 4.103 4.320 0.000 0.000 0.213 138 K C 1.796 178.361 176.600 -0.059 0.000 1.051 138 K CA 1.820 58.096 56.287 -0.019 0.000 0.929 138 K CB -0.177 32.296 32.500 -0.046 0.000 0.715 138 K HN 0.585 nan 8.250 nan 0.000 0.451 139 V N 0.293 120.186 119.914 -0.036 0.000 2.295 139 V HA -0.223 3.897 4.120 0.000 0.000 0.246 139 V C 2.312 178.366 176.094 -0.066 0.000 1.049 139 V CA 1.622 63.883 62.300 -0.065 0.000 1.024 139 V CB -0.788 31.031 31.823 -0.006 0.000 0.648 139 V HN 0.050 nan 8.190 nan 0.000 0.447 140 V N 0.856 120.737 119.914 -0.055 0.000 2.221 140 V HA -0.233 3.887 4.120 0.000 0.000 0.240 140 V C 2.437 178.481 176.094 -0.084 0.000 1.041 140 V CA 2.418 64.656 62.300 -0.103 0.000 0.991 140 V CB -0.847 30.801 31.823 -0.291 0.000 0.634 140 V HN 0.504 nan 8.190 nan 0.000 0.450 141 D N -0.210 120.138 120.400 -0.087 0.000 2.228 141 D HA -0.179 4.461 4.640 0.000 0.000 0.203 141 D C 1.858 178.204 176.300 0.077 0.000 0.988 141 D CA 1.362 55.356 54.000 -0.009 0.000 0.864 141 D CB -0.117 40.681 40.800 -0.004 0.000 0.928 141 D HN 0.375 nan 8.370 nan 0.000 0.469 142 L N -0.392 120.820 121.223 -0.018 0.000 2.084 142 L HA 0.022 4.362 4.340 0.000 0.000 0.202 142 L C 2.045 178.943 176.870 0.047 0.000 1.074 142 L CA 1.144 55.954 54.840 -0.051 0.000 0.757 142 L CB -0.096 41.794 42.059 -0.281 0.000 0.918 142 L HN -0.077 nan 8.230 nan 0.000 0.444 143 L N -0.766 120.435 121.223 -0.037 0.000 2.269 143 L HA 0.316 4.657 4.340 0.000 0.000 0.200 143 L C 1.076 177.959 176.870 0.023 0.000 1.069 143 L CA 0.567 55.387 54.840 -0.033 0.000 0.804 143 L CB -0.300 41.705 42.059 -0.091 0.000 0.987 143 L HN 0.187 nan 8.230 nan 0.000 0.468 144 A N 0.770 123.614 122.820 0.041 0.000 3.204 144 A HA 0.456 4.776 4.320 0.000 0.000 0.327 144 A C -2.531 175.136 177.584 0.139 0.000 0.998 144 A CA -1.212 50.881 52.037 0.093 0.000 0.891 144 A CB -0.460 18.610 19.000 0.116 0.000 1.061 144 A HN -0.081 nan 8.150 nan 0.000 0.478 145 P HA 0.081 nan 4.420 nan 0.000 0.271 145 P C -1.003 176.439 177.300 0.236 0.000 1.216 145 P CA 0.242 63.401 63.100 0.099 0.000 0.776 145 P CB 0.469 32.202 31.700 0.055 0.000 0.881 146 Y N 1.135 121.435 120.300 -0.001 0.000 2.486 146 Y HA 0.303 4.853 4.550 0.000 0.000 0.348 146 Y C 1.301 177.174 175.900 -0.045 0.000 1.000 146 Y CA -1.483 56.603 58.100 -0.023 0.000 1.253 146 Y CB -0.563 37.879 38.460 -0.029 0.000 1.140 146 Y HN 0.396 nan 8.280 nan 0.000 0.526 147 A N 4.700 127.572 122.820 0.087 0.000 2.511 147 A HA 0.107 4.427 4.320 0.000 0.000 0.242 147 A C 0.575 178.150 177.584 -0.015 0.000 1.069 147 A CA -0.555 51.490 52.037 0.013 0.000 0.763 147 A CB -0.029 18.964 19.000 -0.012 0.000 1.001 147 A HN 0.740 nan 8.150 nan 0.000 0.498 148 K N 1.495 121.872 120.400 -0.037 0.000 2.378 148 K HA 0.352 4.673 4.320 0.000 0.000 0.288 148 K C 1.178 177.740 176.600 -0.063 0.000 1.057 148 K CA 1.115 57.363 56.287 -0.065 0.000 0.971 148 K CB -0.091 32.360 32.500 -0.081 0.000 0.975 148 K HN 1.449 nan 8.250 nan 0.000 0.475 149 G N 2.530 111.287 108.800 -0.071 0.000 2.175 149 G HA2 -0.221 3.739 3.960 0.000 0.000 0.244 149 G HA3 -0.221 3.739 3.960 0.000 0.000 0.244 149 G C 0.358 175.217 174.900 -0.068 0.000 0.982 149 G CA -0.160 44.900 45.100 -0.068 0.000 0.641 149 G HN 0.885 nan 8.290 nan 0.000 0.527 150 G N -0.533 108.223 108.800 -0.074 0.000 2.535 150 G HA2 0.641 4.601 3.960 0.000 0.000 0.303 150 G HA3 0.641 4.601 3.960 0.000 0.000 0.303 150 G C -0.337 174.492 174.900 -0.119 0.000 1.237 150 G CA -0.491 44.563 45.100 -0.078 0.000 0.986 150 G HN 0.370 nan 8.290 nan 0.000 0.494 151 K N -0.965 119.365 120.400 -0.117 0.000 2.203 151 K HA 0.627 4.947 4.320 0.000 0.000 0.251 151 K C -0.993 175.487 176.600 -0.201 0.000 0.944 151 K CA -0.332 55.859 56.287 -0.159 0.000 0.829 151 K CB 2.183 34.615 32.500 -0.113 0.000 1.125 151 K HN 0.244 nan 8.250 nan 0.000 0.430 152 I N 0.858 121.263 120.570 -0.274 0.000 2.498 152 I HA 0.370 4.540 4.170 0.000 0.000 0.290 152 I C 0.087 176.083 176.117 -0.202 0.000 1.032 152 I CA -0.461 60.653 61.300 -0.310 0.000 1.073 152 I CB 2.316 39.908 38.000 -0.679 0.000 1.251 152 I HN 0.628 nan 8.210 nan 0.000 0.426 153 G N 5.561 114.299 108.800 -0.103 0.000 2.329 153 G HA2 0.540 4.500 3.960 0.000 0.000 0.309 153 G HA3 0.540 4.500 3.960 0.000 0.000 0.309 153 G C -1.046 173.891 174.900 0.062 0.000 1.110 153 G CA -0.375 44.677 45.100 -0.080 0.000 0.923 153 G HN 0.442 nan 8.290 nan 0.000 0.430 154 L N 3.842 125.025 121.223 -0.067 0.000 2.315 154 L HA 0.540 4.880 4.340 0.000 0.000 0.278 154 L C -0.883 175.985 176.870 -0.004 0.000 1.088 154 L CA -0.771 54.109 54.840 0.066 0.000 0.899 154 L CB -0.369 41.742 42.059 0.087 0.000 1.277 154 L HN 0.334 nan 8.230 nan 0.000 0.431 155 F N 2.616 122.610 119.950 0.075 0.000 2.377 155 F HA 0.726 5.253 4.527 0.000 0.000 0.328 155 F C 1.122 176.980 175.800 0.096 0.000 1.094 155 F CA -0.225 57.828 58.000 0.088 0.000 1.093 155 F CB 1.415 40.466 39.000 0.086 0.000 1.214 155 F HN 0.566 nan 8.300 nan 0.000 0.518 156 G N 1.154 110.119 108.800 0.275 0.000 3.409 156 G HA2 0.271 4.231 3.960 0.000 0.000 0.686 156 G HA3 0.271 4.231 3.960 0.000 0.000 0.686 156 G C 0.000 174.991 174.900 0.151 0.000 1.017 156 G CA -0.711 44.505 45.100 0.194 0.000 0.854 156 G HN 1.108 nan 8.290 nan 0.000 0.508 157 G N 1.080 109.962 108.800 0.137 0.000 2.580 157 G HA2 0.803 4.763 3.960 0.000 0.000 0.225 157 G HA3 0.803 4.763 3.960 0.000 0.000 0.225 157 G C 1.127 176.084 174.900 0.096 0.000 1.521 157 G CA 0.591 45.759 45.100 0.113 0.000 1.068 157 G HN 2.204 nan 8.290 nan 0.000 0.564 158 A N -2.514 120.351 122.820 0.075 0.000 2.346 158 A HA 0.571 4.891 4.320 0.000 0.000 0.252 158 A C 1.407 179.038 177.584 0.079 0.000 1.089 158 A CA 1.213 53.293 52.037 0.070 0.000 0.797 158 A CB -0.076 18.953 19.000 0.049 0.000 1.047 158 A HN 2.419 nan 8.150 nan 0.000 0.494 159 G N -1.164 107.686 108.800 0.084 0.000 3.211 159 G HA2 -0.109 3.851 3.960 0.000 0.000 0.206 159 G HA3 -0.109 3.851 3.960 0.000 0.000 0.206 159 G C 0.624 175.600 174.900 0.126 0.000 1.418 159 G CA 0.531 45.688 45.100 0.095 0.000 0.958 159 G HN 2.243 nan 8.290 nan 0.000 0.567 160 V N 1.069 121.060 119.914 0.129 0.000 3.051 160 V HA 0.653 4.773 4.120 0.000 0.000 0.306 160 V C 1.468 177.676 176.094 0.189 0.000 1.083 160 V CA 0.400 62.798 62.300 0.165 0.000 1.104 160 V CB 1.133 33.029 31.823 0.122 0.000 1.027 160 V HN 1.690 nan 8.190 nan 0.000 0.483 161 G N 1.442 110.401 108.800 0.266 0.000 2.991 161 G HA2 0.037 3.997 3.960 0.000 0.000 0.262 161 G HA3 0.037 3.997 3.960 0.000 0.000 0.262 161 G C 0.680 175.695 174.900 0.191 0.000 0.765 161 G CA 0.138 45.377 45.100 0.232 0.000 2.051 161 G HN 0.970 nan 8.290 nan 0.000 0.602 162 K N 0.432 120.921 120.400 0.149 0.000 2.007 162 K HA -0.121 4.199 4.320 0.000 0.000 0.206 162 K C 2.851 179.507 176.600 0.094 0.000 1.047 162 K CA 1.782 58.150 56.287 0.135 0.000 0.937 162 K CB -0.149 32.423 32.500 0.120 0.000 0.718 162 K HN 0.476 nan 8.250 nan 0.000 0.438 163 T N -0.640 113.945 114.554 0.051 0.000 2.720 163 T HA -0.123 4.227 4.350 0.000 0.000 0.268 163 T C 2.062 176.744 174.700 -0.031 0.000 1.037 163 T CA 1.433 63.521 62.100 -0.020 0.000 1.144 163 T CB -0.746 68.094 68.868 -0.046 0.000 0.864 163 T HN -0.022 nan 8.240 nan 0.000 0.444 164 V N 1.705 121.635 119.914 0.027 0.000 2.287 164 V HA -0.112 4.008 4.120 0.000 0.000 0.248 164 V C 2.584 178.746 176.094 0.113 0.000 1.053 164 V CA 1.798 64.138 62.300 0.066 0.000 1.027 164 V CB -0.889 31.006 31.823 0.119 0.000 0.646 164 V HN 0.403 nan 8.190 nan 0.000 0.447 165 L N -0.195 121.139 121.223 0.186 0.000 2.042 165 L HA -0.166 4.174 4.340 0.000 0.000 0.210 165 L C 2.129 179.032 176.870 0.055 0.000 1.076 165 L CA 1.911 56.866 54.840 0.191 0.000 0.749 165 L CB -0.502 41.721 42.059 0.273 0.000 0.893 165 L HN 0.236 nan 8.230 nan 0.000 0.432 166 I N -1.156 119.398 120.570 -0.026 0.000 2.142 166 I HA -0.354 3.816 4.170 0.000 0.000 0.240 166 I C 2.470 178.421 176.117 -0.278 0.000 1.078 166 I CA 1.794 62.916 61.300 -0.296 0.000 1.343 166 I CB -0.295 37.409 38.000 -0.494 0.000 1.046 166 I HN 0.274 nan 8.210 nan 0.000 0.405 167 M N -0.347 119.136 119.600 -0.196 0.000 2.279 167 M HA -0.216 4.264 4.480 0.000 0.000 0.264 167 M C 2.189 178.417 176.300 -0.121 0.000 1.062 167 M CA 1.521 56.728 55.300 -0.154 0.000 1.099 167 M CB -0.386 32.134 32.600 -0.134 0.000 1.394 167 M HN 0.174 nan 8.290 nan 0.000 0.426 168 E N 1.047 121.153 120.200 -0.158 0.000 2.051 168 E HA -0.065 4.285 4.350 0.000 0.000 0.189 168 E C 1.830 178.318 176.600 -0.186 0.000 0.979 168 E CA 1.006 57.233 56.400 -0.288 0.000 0.803 168 E CB -0.231 29.012 29.700 -0.762 0.000 0.761 168 E HN 0.413 nan 8.360 nan 0.000 0.451 169 L N 0.270 121.458 121.223 -0.058 0.000 1.990 169 L HA -0.241 4.099 4.340 0.000 0.000 0.213 169 L C 2.497 179.458 176.870 0.152 0.000 1.072 169 L CA 1.518 56.427 54.840 0.115 0.000 0.755 169 L CB -0.597 41.704 42.059 0.402 0.000 0.889 169 L HN 0.243 nan 8.230 nan 0.000 0.432 170 I N -0.210 120.473 120.570 0.188 0.000 2.068 170 I HA -0.413 3.757 4.170 0.000 0.000 0.238 170 I C 2.535 178.694 176.117 0.070 0.000 1.046 170 I CA 1.859 63.256 61.300 0.162 0.000 1.306 170 I CB -0.624 37.437 38.000 0.102 0.000 1.023 170 I HN 0.415 nan 8.210 nan 0.000 0.399 171 N N 0.910 119.613 118.700 0.006 0.000 2.104 171 N HA -0.213 4.527 4.740 0.000 0.000 0.190 171 N C 1.581 177.080 175.510 -0.018 0.000 1.024 171 N CA 1.783 54.822 53.050 -0.019 0.000 0.853 171 N CB -0.228 38.226 38.487 -0.054 0.000 1.008 171 N HN 0.488 nan 8.380 nan 0.000 0.424 172 N N -0.174 118.505 118.700 -0.035 0.000 2.216 172 N HA -0.075 4.665 4.740 0.000 0.000 0.183 172 N C 1.762 177.282 175.510 0.016 0.000 1.017 172 N CA 0.525 53.554 53.050 -0.036 0.000 0.861 172 N CB 0.228 38.669 38.487 -0.077 0.000 0.986 172 N HN 0.019 nan 8.380 nan 0.000 0.428 173 V N 1.516 121.475 119.914 0.074 0.000 2.453 173 V HA -0.134 3.986 4.120 0.000 0.000 0.247 173 V C 2.304 178.462 176.094 0.107 0.000 1.048 173 V CA 1.560 63.953 62.300 0.154 0.000 1.049 173 V CB -0.471 31.438 31.823 0.143 0.000 0.672 173 V HN 0.285 nan 8.190 nan 0.000 0.457 174 A N -0.616 122.247 122.820 0.072 0.000 1.930 174 A HA -0.198 4.123 4.320 0.000 0.000 0.217 174 A C 2.288 179.885 177.584 0.022 0.000 1.175 174 A CA 1.729 53.805 52.037 0.065 0.000 0.627 174 A CB -0.310 18.746 19.000 0.093 0.000 0.815 174 A HN 0.514 nan 8.150 nan 0.000 0.443 175 K N -0.785 119.611 120.400 -0.007 0.000 2.116 175 K HA 0.120 4.440 4.320 0.000 0.000 0.203 175 K C 2.198 178.742 176.600 -0.092 0.000 1.052 175 K CA 0.915 57.180 56.287 -0.037 0.000 0.952 175 K CB -0.125 32.352 32.500 -0.037 0.000 0.729 175 K HN 0.418 nan 8.250 nan 0.000 0.446 176 A N 0.393 123.114 122.820 -0.165 0.000 1.943 176 A HA -0.037 4.283 4.320 0.000 0.000 0.213 176 A C 1.298 178.576 177.584 -0.509 0.000 1.181 176 A CA 0.822 52.632 52.037 -0.378 0.000 0.653 176 A CB -0.114 18.561 19.000 -0.541 0.000 0.833 176 A HN 0.237 nan 8.150 nan 0.000 0.451 177 H N -1.619 117.435 119.070 -0.027 0.000 2.893 177 H HA 0.266 4.822 4.556 0.000 0.000 0.270 177 H C 1.387 176.674 175.328 -0.068 0.000 1.095 177 H CA 0.321 56.345 56.048 -0.040 0.000 1.186 177 H CB 0.253 29.994 29.762 -0.036 0.000 1.562 177 H HN 0.579 nan 8.280 nan 0.000 0.536 178 G N 1.495 110.293 108.800 -0.002 0.000 2.233 178 G HA2 -0.249 3.711 3.960 0.000 0.000 0.270 178 G HA3 -0.249 3.711 3.960 0.000 0.000 0.270 178 G C 0.648 175.435 174.900 -0.188 0.000 1.011 178 G CA 0.461 45.520 45.100 -0.068 0.000 0.762 178 G HN 0.675 nan 8.290 nan 0.000 0.511 179 G N -1.219 107.506 108.800 -0.125 0.000 2.400 179 G HA2 0.644 4.604 3.960 0.000 0.000 0.333 179 G HA3 0.644 4.604 3.960 0.000 0.000 0.333 179 G C -0.141 174.681 174.900 -0.130 0.000 1.143 179 G CA -0.966 43.998 45.100 -0.225 0.000 0.914 179 G HN 0.307 nan 8.290 nan 0.000 0.480 180 Y N 0.136 120.282 120.300 -0.256 0.000 2.340 180 Y HA 0.536 5.086 4.550 0.000 0.000 0.327 180 Y C 0.999 176.786 175.900 -0.188 0.000 1.321 180 Y CA -0.725 57.173 58.100 -0.337 0.000 1.433 180 Y CB 1.686 39.667 38.460 -0.798 0.000 1.373 180 Y HN 0.399 nan 8.280 nan 0.000 0.538 181 S N 0.257 116.010 115.700 0.089 0.000 2.570 181 S HA 0.634 5.104 4.470 0.000 0.000 0.286 181 S C -1.266 173.459 174.600 0.209 0.000 1.099 181 S CA -0.809 57.494 58.200 0.171 0.000 0.913 181 S CB 2.023 65.393 63.200 0.284 0.000 1.085 181 S HN 0.316 nan 8.310 nan 0.000 0.480 182 V N 2.473 122.544 119.914 0.261 0.000 2.656 182 V HA 0.586 4.706 4.120 0.000 0.000 0.307 182 V C -1.198 175.106 176.094 0.351 0.000 1.051 182 V CA -0.756 61.703 62.300 0.266 0.000 0.893 182 V CB 1.464 33.414 31.823 0.212 0.000 0.999 182 V HN 0.851 nan 8.190 nan 0.000 0.426 183 F N 3.434 123.485 119.950 0.169 0.000 2.449 183 F HA 0.804 5.331 4.527 0.000 0.000 0.342 183 F C 0.183 176.074 175.800 0.152 0.000 1.127 183 F CA -0.513 57.600 58.000 0.189 0.000 0.975 183 F CB 1.259 40.335 39.000 0.126 0.000 1.146 183 F HN 0.617 nan 8.300 nan 0.000 0.444 184 A N 4.463 127.089 122.820 -0.323 0.000 2.273 184 A HA 0.631 4.951 4.320 0.000 0.000 0.315 184 A C -0.013 177.383 177.584 -0.313 0.000 1.256 184 A CA -0.371 51.564 52.037 -0.170 0.000 0.851 184 A CB 0.367 19.290 19.000 -0.128 0.000 1.172 184 A HN 1.047 nan 8.150 nan 0.000 0.508 185 G N 1.663 110.500 108.800 0.061 0.000 2.457 185 G HA2 0.474 4.434 3.960 0.000 0.000 0.316 185 G HA3 0.474 4.434 3.960 0.000 0.000 0.316 185 G C -0.354 174.548 174.900 0.005 0.000 1.030 185 G CA -0.191 44.937 45.100 0.046 0.000 1.073 185 G HN 0.720 nan 8.290 nan 0.000 0.430 186 V N 2.754 122.652 119.914 -0.026 0.000 2.322 186 V HA 0.515 4.635 4.120 0.000 0.000 0.258 186 V C 1.258 177.367 176.094 0.024 0.000 1.074 186 V CA 0.253 62.563 62.300 0.017 0.000 0.909 186 V CB 0.186 32.032 31.823 0.039 0.000 1.090 186 V HN 1.228 nan 8.190 nan 0.000 0.486 187 G N 3.371 112.180 108.800 0.015 0.000 2.314 187 G HA2 -0.245 3.715 3.960 0.000 0.000 0.292 187 G HA3 -0.245 3.715 3.960 0.000 0.000 0.292 187 G C -0.045 174.846 174.900 -0.015 0.000 1.059 187 G CA 0.372 45.477 45.100 0.007 0.000 0.982 187 G HN 0.748 nan 8.290 nan 0.000 0.505 188 E N -0.400 119.766 120.200 -0.058 0.000 2.313 188 E HA 0.424 4.774 4.350 0.000 0.000 0.272 188 E C 0.955 177.496 176.600 -0.098 0.000 1.038 188 E CA -0.928 55.417 56.400 -0.091 0.000 0.863 188 E CB 0.557 30.145 29.700 -0.188 0.000 1.060 188 E HN 0.435 nan 8.360 nan 0.000 0.402 189 R N 2.036 122.492 120.500 -0.073 0.000 2.449 189 R HA 0.037 4.377 4.340 0.000 0.000 0.296 189 R C 1.090 177.343 176.300 -0.078 0.000 1.047 189 R CA 0.074 56.139 56.100 -0.057 0.000 1.018 189 R CB 0.438 30.717 30.300 -0.035 0.000 0.962 189 R HN 0.628 nan 8.270 nan 0.000 0.428 190 T N 2.111 116.630 114.554 -0.058 0.000 2.737 190 T HA -0.239 4.111 4.350 0.000 0.000 0.269 190 T C 1.747 176.434 174.700 -0.022 0.000 1.040 190 T CA 1.396 63.468 62.100 -0.047 0.000 1.142 190 T CB -0.150 68.710 68.868 -0.014 0.000 0.861 190 T HN 0.546 nan 8.240 nan 0.000 0.456 191 R N 1.105 121.600 120.500 -0.009 0.000 2.073 191 R HA -0.118 4.222 4.340 0.000 0.000 0.234 191 R C 2.221 178.526 176.300 0.009 0.000 1.134 191 R CA 1.650 57.757 56.100 0.011 0.000 0.952 191 R CB -0.110 30.197 30.300 0.012 0.000 0.850 191 R HN 0.533 nan 8.270 nan 0.000 0.433 192 E N -1.093 119.098 120.200 -0.015 0.000 2.285 192 E HA -0.058 4.292 4.350 0.000 0.000 0.194 192 E C 1.834 178.412 176.600 -0.037 0.000 0.997 192 E CA 0.772 57.162 56.400 -0.017 0.000 0.845 192 E CB 0.014 29.703 29.700 -0.019 0.000 0.782 192 E HN 0.551 nan 8.360 nan 0.000 0.491 193 G N 2.078 110.823 108.800 -0.092 0.000 2.414 193 G HA2 -0.331 3.629 3.960 0.000 0.000 0.215 193 G HA3 -0.331 3.629 3.960 0.000 0.000 0.215 193 G C 1.461 176.416 174.900 0.091 0.000 1.188 193 G CA 0.982 45.993 45.100 -0.147 0.000 0.783 193 G HN 0.232 nan 8.290 nan 0.000 0.537 194 N N 0.743 119.493 118.700 0.082 0.000 2.104 194 N HA -0.111 4.630 4.740 0.000 0.000 0.190 194 N C 1.687 177.266 175.510 0.115 0.000 1.024 194 N CA 1.753 54.873 53.050 0.117 0.000 0.853 194 N CB -0.253 38.304 38.487 0.117 0.000 1.008 194 N HN 0.166 nan 8.380 nan 0.000 0.424 195 D N -0.575 119.881 120.400 0.092 0.000 2.144 195 D HA -0.119 4.521 4.640 0.000 0.000 0.199 195 D C 1.746 178.071 176.300 0.042 0.000 0.984 195 D CA 0.547 54.595 54.000 0.079 0.000 0.834 195 D CB -0.199 40.627 40.800 0.044 0.000 0.955 195 D HN 0.286 nan 8.370 nan 0.000 0.465 196 L N -0.479 120.759 121.223 0.025 0.000 2.072 196 L HA -0.095 4.245 4.340 0.000 0.000 0.205 196 L C 2.000 178.870 176.870 -0.001 0.000 1.079 196 L CA 1.364 56.184 54.840 -0.034 0.000 0.752 196 L CB -0.792 41.208 42.059 -0.098 0.000 0.906 196 L HN 0.029 nan 8.230 nan 0.000 0.436 197 Y N 0.503 120.740 120.300 -0.106 0.000 2.053 197 Y HA -0.339 4.211 4.550 0.000 0.000 0.277 197 Y C 2.646 178.439 175.900 -0.178 0.000 1.159 197 Y CA 2.390 60.380 58.100 -0.183 0.000 1.125 197 Y CB -0.940 37.370 38.460 -0.250 0.000 0.969 197 Y HN 0.466 nan 8.280 nan 0.000 0.492 198 H N -0.780 118.202 119.070 -0.148 0.000 2.423 198 H HA -0.092 4.464 4.556 0.000 0.000 0.297 198 H C 2.188 177.405 175.328 -0.185 0.000 1.075 198 H CA 1.230 57.132 56.048 -0.245 0.000 1.342 198 H CB 0.036 29.711 29.762 -0.145 0.000 1.395 198 H HN 0.449 nan 8.280 nan 0.000 0.530 199 E N 0.146 120.328 120.200 -0.031 0.000 2.150 199 E HA -0.156 4.194 4.350 0.000 0.000 0.193 199 E C 1.840 178.365 176.600 -0.126 0.000 0.985 199 E CA 0.756 57.097 56.400 -0.097 0.000 0.814 199 E CB 0.083 29.718 29.700 -0.109 0.000 0.752 199 E HN 0.513 nan 8.360 nan 0.000 0.466 200 M N -0.138 119.387 119.600 -0.125 0.000 2.236 200 M HA -0.067 4.413 4.480 0.000 0.000 0.266 200 M C 2.083 178.309 176.300 -0.123 0.000 1.070 200 M CA 0.819 56.043 55.300 -0.126 0.000 1.137 200 M CB 0.049 32.581 32.600 -0.113 0.000 1.378 200 M HN 0.089 nan 8.290 nan 0.000 0.426 201 I N 0.172 120.647 120.570 -0.160 0.000 2.163 201 I HA -0.302 3.868 4.170 0.000 0.000 0.243 201 I C 2.384 178.435 176.117 -0.109 0.000 1.085 201 I CA 1.184 62.392 61.300 -0.153 0.000 1.347 201 I CB -0.414 37.458 38.000 -0.212 0.000 1.044 201 I HN 0.225 nan 8.210 nan 0.000 0.408 202 E N 0.638 120.774 120.200 -0.107 0.000 2.049 202 E HA -0.217 4.133 4.350 0.000 0.000 0.198 202 E C 2.336 178.882 176.600 -0.090 0.000 1.007 202 E CA 1.932 58.275 56.400 -0.096 0.000 0.809 202 E CB -0.620 29.012 29.700 -0.114 0.000 0.749 202 E HN 0.557 nan 8.360 nan 0.000 0.450 203 S N -1.105 114.533 115.700 -0.103 0.000 2.607 203 S HA 0.140 4.610 4.470 0.000 0.000 0.224 203 S C 1.571 176.130 174.600 -0.068 0.000 0.969 203 S CA 0.903 59.050 58.200 -0.088 0.000 0.927 203 S CB 0.113 63.252 63.200 -0.101 0.000 0.772 203 S HN 0.371 nan 8.310 nan 0.000 0.533 204 G N 0.662 109.420 108.800 -0.069 0.000 2.176 204 G HA2 -0.355 3.605 3.960 0.000 0.000 0.253 204 G HA3 -0.355 3.605 3.960 0.000 0.000 0.253 204 G C 0.846 175.711 174.900 -0.058 0.000 0.979 204 G CA 0.536 45.602 45.100 -0.057 0.000 0.641 204 G HN 1.413 nan 8.290 nan 0.000 0.530 205 V N -1.727 118.147 119.914 -0.067 0.000 2.970 205 V HA 0.465 4.585 4.120 0.000 0.000 0.260 205 V C 1.214 177.268 176.094 -0.067 0.000 1.100 205 V CA 1.290 63.551 62.300 -0.064 0.000 1.122 205 V CB -0.215 31.566 31.823 -0.069 0.000 0.721 205 V HN 0.468 nan 8.190 nan 0.000 0.483 206 I N 1.504 122.033 120.570 -0.068 0.000 2.465 206 I HA 0.459 4.629 4.170 0.000 0.000 0.291 206 I C -0.621 175.461 176.117 -0.059 0.000 1.014 206 I CA -0.303 60.963 61.300 -0.056 0.000 1.093 206 I CB 1.822 39.801 38.000 -0.034 0.000 1.267 206 I HN 0.082 nan 8.210 nan 0.000 0.431 207 N N 6.237 124.907 118.700 -0.050 0.000 2.479 207 N HA 0.343 5.083 4.740 0.000 0.000 0.261 207 N C 0.361 175.853 175.510 -0.031 0.000 0.979 207 N CA -0.337 52.687 53.050 -0.044 0.000 0.930 207 N CB 1.991 40.452 38.487 -0.043 0.000 1.172 207 N HN 0.586 nan 8.380 nan 0.000 0.499 208 L N 2.959 124.164 121.223 -0.030 0.000 2.291 208 L HA 0.009 4.349 4.340 0.000 0.000 0.214 208 L C 2.091 178.955 176.870 -0.011 0.000 1.120 208 L CA 1.066 55.898 54.840 -0.013 0.000 0.799 208 L CB 0.136 42.184 42.059 -0.018 0.000 0.925 208 L HN 0.437 nan 8.230 nan 0.000 0.446 209 K N -0.532 119.858 120.400 -0.018 0.000 2.168 209 K HA -0.009 4.311 4.320 0.000 0.000 0.201 209 K C 0.578 177.169 176.600 -0.014 0.000 1.049 209 K CA 1.159 57.438 56.287 -0.014 0.000 0.974 209 K CB 0.252 32.742 32.500 -0.016 0.000 0.792 209 K HN 0.474 nan 8.250 nan 0.000 0.463 210 D N -1.646 118.743 120.400 -0.018 0.000 3.222 210 D HA 0.316 4.956 4.640 0.000 0.000 0.190 210 D C -0.559 175.727 176.300 -0.025 0.000 1.235 210 D CA -0.781 53.208 54.000 -0.018 0.000 1.213 210 D CB 0.476 41.266 40.800 -0.017 0.000 1.103 210 D HN -0.092 nan 8.370 nan 0.000 0.468 211 A N -0.471 122.331 122.820 -0.030 0.000 3.292 211 A HA 0.461 4.781 4.320 0.000 0.000 0.231 211 A C 0.128 177.674 177.584 -0.062 0.000 0.952 211 A CA -0.122 51.888 52.037 -0.045 0.000 1.044 211 A CB -0.390 18.592 19.000 -0.031 0.000 1.236 211 A HN 0.484 nan 8.150 nan 0.000 0.525 212 T N -2.054 112.462 114.554 -0.065 0.000 3.044 212 T HA 0.168 4.518 4.350 0.000 0.000 0.260 212 T C 0.722 175.359 174.700 -0.106 0.000 1.019 212 T CA 0.528 62.585 62.100 -0.072 0.000 0.921 212 T CB -0.368 68.476 68.868 -0.040 0.000 1.053 212 T HN 0.516 nan 8.240 nan 0.000 0.533 213 S N 2.041 117.671 115.700 -0.117 0.000 2.544 213 S HA 0.204 4.674 4.470 0.000 0.000 0.290 213 S C 0.527 175.001 174.600 -0.210 0.000 1.276 213 S CA -0.581 57.544 58.200 -0.125 0.000 1.075 213 S CB 0.923 64.066 63.200 -0.096 0.000 0.849 213 S HN 0.406 nan 8.310 nan 0.000 0.494 214 K N 0.992 121.298 120.400 -0.157 0.000 2.374 214 K HA 0.216 4.537 4.320 0.000 0.000 0.196 214 K C -0.288 176.246 176.600 -0.109 0.000 1.023 214 K CA 0.063 56.248 56.287 -0.170 0.000 1.103 214 K CB 0.403 32.881 32.500 -0.036 0.000 0.848 214 K HN 0.543 nan 8.250 nan 0.000 0.528 215 V N 0.259 120.127 119.914 -0.075 0.000 2.815 215 V HA 0.720 4.840 4.120 0.000 0.000 0.314 215 V C -0.450 175.644 176.094 -0.000 0.000 1.064 215 V CA -1.514 60.787 62.300 0.002 0.000 0.952 215 V CB 1.679 33.514 31.823 0.019 0.000 1.020 215 V HN 0.031 nan 8.190 nan 0.000 0.439 216 A N 3.411 126.273 122.820 0.071 0.000 2.340 216 A HA 0.905 5.226 4.320 0.000 0.000 0.331 216 A C -0.932 176.681 177.584 0.048 0.000 1.140 216 A CA -0.676 51.395 52.037 0.057 0.000 0.801 216 A CB 1.214 20.293 19.000 0.131 0.000 1.234 216 A HN 0.811 nan 8.150 nan 0.000 0.469 217 L N 2.495 123.680 121.223 -0.063 0.000 2.319 217 L HA 0.490 4.830 4.340 0.000 0.000 0.281 217 L C -1.132 175.625 176.870 -0.188 0.000 1.005 217 L CA -0.747 53.991 54.840 -0.169 0.000 0.828 217 L CB 1.710 43.483 42.059 -0.478 0.000 1.227 217 L HN 0.458 nan 8.230 nan 0.000 0.415 218 V N 3.793 123.689 119.914 -0.031 0.000 2.448 218 V HA 0.430 4.550 4.120 0.000 0.000 0.295 218 V C -0.735 175.501 176.094 0.236 0.000 1.025 218 V CA -0.511 61.806 62.300 0.028 0.000 0.859 218 V CB 1.681 33.534 31.823 0.050 0.000 0.988 218 V HN 0.502 nan 8.190 nan 0.000 0.431 219 Y N 1.937 122.256 120.300 0.032 0.000 2.350 219 Y HA 0.647 5.197 4.550 0.000 0.000 0.338 219 Y C 0.645 176.558 175.900 0.021 0.000 0.961 219 Y CA -1.046 57.076 58.100 0.038 0.000 1.100 219 Y CB 2.675 41.146 38.460 0.019 0.000 1.179 219 Y HN 0.715 nan 8.280 nan 0.000 0.454 220 G N 4.206 113.093 108.800 0.145 0.000 3.378 220 G HA2 0.343 4.303 3.960 0.000 0.000 0.332 220 G HA3 0.343 4.303 3.960 0.000 0.000 0.332 220 G C -1.076 173.835 174.900 0.019 0.000 1.490 220 G CA -0.494 44.648 45.100 0.071 0.000 1.068 220 G HN 0.593 nan 8.290 nan 0.000 0.492 221 Q N 1.258 121.062 119.800 0.006 0.000 2.421 221 Q HA 0.220 4.560 4.340 0.000 0.000 0.255 221 Q C 1.654 177.648 176.000 -0.011 0.000 1.013 221 Q CA -0.161 55.624 55.803 -0.029 0.000 0.895 221 Q CB 1.450 30.173 28.738 -0.024 0.000 1.271 221 Q HN 0.524 nan 8.270 nan 0.000 0.460 222 M N 1.699 121.288 119.600 -0.018 0.000 2.202 222 M HA -0.185 4.295 4.480 0.000 0.000 0.262 222 M C 1.116 177.417 176.300 0.002 0.000 1.063 222 M CA 1.172 56.469 55.300 -0.005 0.000 1.097 222 M CB -0.183 32.413 32.600 -0.007 0.000 1.382 222 M HN 0.688 nan 8.290 nan 0.000 0.413 223 N N 0.322 119.023 118.700 0.001 0.000 2.434 223 N HA -0.006 4.734 4.740 0.000 0.000 0.196 223 N C -0.525 174.990 175.510 0.008 0.000 1.183 223 N CA 0.272 53.325 53.050 0.005 0.000 0.849 223 N CB -0.216 38.274 38.487 0.005 0.000 0.992 223 N HN 0.407 nan 8.380 nan 0.000 0.460 224 E N 0.800 121.007 120.200 0.010 0.000 2.222 224 E HA 0.399 4.750 4.350 0.000 0.000 0.272 224 E C -2.441 174.167 176.600 0.013 0.000 0.982 224 E CA -2.169 54.239 56.400 0.014 0.000 0.842 224 E CB 0.945 30.657 29.700 0.020 0.000 1.144 224 E HN 0.123 nan 8.360 nan 0.000 0.397 225 P HA -0.015 nan 4.420 nan 0.000 0.269 225 P C -2.154 175.152 177.300 0.010 0.000 1.217 225 P CA -0.891 62.215 63.100 0.011 0.000 0.783 225 P CB 0.018 31.726 31.700 0.013 0.000 0.898 226 P HA -0.157 nan 4.420 nan 0.000 0.218 226 P C 1.525 178.827 177.300 0.004 0.000 1.148 226 P CA 1.818 64.915 63.100 -0.004 0.000 0.822 226 P CB -0.380 31.311 31.700 -0.015 0.000 0.784 227 G N 0.478 109.286 108.800 0.014 0.000 2.459 227 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 227 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 227 G C 1.687 176.610 174.900 0.038 0.000 1.183 227 G CA 1.135 46.252 45.100 0.028 0.000 0.776 227 G HN 0.329 nan 8.290 nan 0.000 0.552 228 A N 1.039 123.880 122.820 0.034 0.000 1.883 228 A HA -0.075 4.245 4.320 0.000 0.000 0.217 228 A C 2.439 180.050 177.584 0.044 0.000 1.186 228 A CA 1.771 53.831 52.037 0.038 0.000 0.624 228 A CB -0.371 18.649 19.000 0.033 0.000 0.822 228 A HN 0.425 nan 8.150 nan 0.000 0.444 229 R N -0.535 119.989 120.500 0.039 0.000 2.236 229 R HA 0.168 4.508 4.340 0.000 0.000 0.208 229 R C 1.998 178.343 176.300 0.075 0.000 1.036 229 R CA 0.792 56.921 56.100 0.047 0.000 1.001 229 R CB -0.276 30.042 30.300 0.030 0.000 0.896 229 R HN 0.466 nan 8.270 nan 0.000 0.464 230 A N 0.952 123.809 122.820 0.062 0.000 2.132 230 A HA 0.050 4.370 4.320 0.000 0.000 0.213 230 A C 1.737 179.426 177.584 0.175 0.000 1.154 230 A CA 0.427 52.515 52.037 0.086 0.000 0.753 230 A CB 0.166 19.162 19.000 -0.008 0.000 0.826 230 A HN 0.005 nan 8.150 nan 0.000 0.469 231 R N -0.313 120.252 120.500 0.107 0.000 2.265 231 R HA 0.041 4.381 4.340 0.000 0.000 0.194 231 R C 1.954 178.272 176.300 0.029 0.000 0.931 231 R CA 1.228 57.366 56.100 0.064 0.000 1.032 231 R CB -0.981 29.340 30.300 0.034 0.000 0.980 231 R HN 0.532 nan 8.270 nan 0.000 0.497 232 V N -1.204 118.739 119.914 0.049 0.000 2.407 232 V HA -0.076 4.044 4.120 0.000 0.000 0.248 232 V C 2.298 178.383 176.094 -0.016 0.000 1.055 232 V CA 1.729 64.044 62.300 0.026 0.000 1.049 232 V CB -1.202 30.650 31.823 0.049 0.000 0.662 232 V HN 0.111 nan 8.190 nan 0.000 0.455 233 A N 0.619 123.415 122.820 -0.040 0.000 1.978 233 A HA -0.039 4.282 4.320 0.000 0.000 0.220 233 A C 2.263 179.754 177.584 -0.156 0.000 1.170 233 A CA 2.144 54.083 52.037 -0.163 0.000 0.636 233 A CB -0.605 18.163 19.000 -0.385 0.000 0.810 233 A HN 0.594 nan 8.150 nan 0.000 0.448 234 L N -1.137 120.019 121.223 -0.111 0.000 2.131 234 L HA -0.094 4.246 4.340 0.000 0.000 0.206 234 L C 2.690 179.496 176.870 -0.106 0.000 1.087 234 L CA 1.505 56.268 54.840 -0.128 0.000 0.767 234 L CB -0.854 41.101 42.059 -0.173 0.000 0.917 234 L HN 0.333 nan 8.230 nan 0.000 0.441 235 T N -0.164 114.346 114.554 -0.074 0.000 2.746 235 T HA -0.131 4.219 4.350 0.000 0.000 0.267 235 T C 1.843 176.523 174.700 -0.033 0.000 1.039 235 T CA 1.456 63.528 62.100 -0.046 0.000 1.142 235 T CB -0.499 68.358 68.868 -0.018 0.000 0.866 235 T HN 0.533 nan 8.240 nan 0.000 0.444 236 G N 1.499 110.280 108.800 -0.032 0.000 2.402 236 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 236 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 236 G C 1.469 176.357 174.900 -0.019 0.000 1.162 236 G CA 0.241 45.334 45.100 -0.013 0.000 0.777 236 G HN 0.321 nan 8.290 nan 0.000 0.539 237 L N 1.413 122.600 121.223 -0.059 0.000 2.079 237 L HA -0.033 4.307 4.340 0.000 0.000 0.210 237 L C 2.855 179.707 176.870 -0.030 0.000 1.081 237 L CA 2.101 56.905 54.840 -0.060 0.000 0.752 237 L CB -1.246 40.755 42.059 -0.098 0.000 0.896 237 L HN 0.188 nan 8.230 nan 0.000 0.433 238 T N -1.148 113.385 114.554 -0.035 0.000 2.737 238 T HA -0.126 4.224 4.350 0.000 0.000 0.265 238 T C 2.074 176.764 174.700 -0.018 0.000 1.038 238 T CA 1.445 63.531 62.100 -0.025 0.000 1.144 238 T CB -0.250 68.598 68.868 -0.033 0.000 0.866 238 T HN 0.155 nan 8.240 nan 0.000 0.434 239 V N 1.933 121.836 119.914 -0.018 0.000 2.255 239 V HA -0.205 3.915 4.120 0.000 0.000 0.247 239 V C 2.934 179.048 176.094 0.033 0.000 1.051 239 V CA 1.823 64.105 62.300 -0.031 0.000 1.018 239 V CB -1.293 30.546 31.823 0.026 0.000 0.641 239 V HN 0.537 nan 8.190 nan 0.000 0.445 240 A N -0.825 122.072 122.820 0.129 0.000 1.986 240 A HA -0.304 4.016 4.320 0.000 0.000 0.220 240 A C 2.178 179.849 177.584 0.143 0.000 1.171 240 A CA 2.223 54.386 52.037 0.210 0.000 0.640 240 A CB -0.516 18.551 19.000 0.111 0.000 0.811 240 A HN 0.663 nan 8.150 nan 0.000 0.451 241 E N -2.044 118.189 120.200 0.055 0.000 2.107 241 E HA -0.137 4.213 4.350 0.000 0.000 0.191 241 E C 1.758 178.361 176.600 0.005 0.000 0.982 241 E CA 1.004 57.418 56.400 0.023 0.000 0.809 241 E CB -0.251 29.452 29.700 0.006 0.000 0.756 241 E HN 0.812 nan 8.360 nan 0.000 0.459 242 Y N 0.438 120.643 120.300 -0.158 0.000 2.128 242 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 242 Y C 1.648 177.438 175.900 -0.183 0.000 1.154 242 Y CA 1.758 59.718 58.100 -0.234 0.000 1.149 242 Y CB -0.429 37.791 38.460 -0.400 0.000 0.976 242 Y HN -0.004 nan 8.280 nan 0.000 0.505 243 F N 0.020 119.974 119.950 0.007 0.000 2.269 243 F HA -0.165 4.362 4.527 0.000 0.000 0.301 243 F C 2.732 178.433 175.800 -0.165 0.000 1.082 243 F CA 1.470 59.414 58.000 -0.092 0.000 1.360 243 F CB -0.267 38.772 39.000 0.065 0.000 1.041 243 F HN 0.021 nan 8.300 nan 0.000 0.512 244 R N 0.352 120.868 120.500 0.026 0.000 2.087 244 R HA -0.055 4.285 4.340 0.000 0.000 0.216 244 R C 1.043 177.292 176.300 -0.084 0.000 1.114 244 R CA 1.292 57.376 56.100 -0.026 0.000 1.002 244 R CB -0.046 30.248 30.300 -0.010 0.000 0.903 244 R HN 0.064 nan 8.270 nan 0.000 0.445 245 D N 0.040 120.375 120.400 -0.109 0.000 2.339 245 D HA 0.006 4.646 4.640 0.000 0.000 0.217 245 D C 0.995 177.198 176.300 -0.162 0.000 1.050 245 D CA 0.444 54.381 54.000 -0.106 0.000 0.856 245 D CB 0.864 41.626 40.800 -0.064 0.000 0.922 245 D HN 0.280 nan 8.370 nan 0.000 0.518 246 Q N -0.601 119.022 119.800 -0.295 0.000 2.445 246 Q HA 0.152 4.492 4.340 0.000 0.000 0.257 246 Q C 1.073 176.886 176.000 -0.313 0.000 0.806 246 Q CA 0.172 55.758 55.803 -0.362 0.000 0.987 246 Q CB 0.728 29.071 28.738 -0.658 0.000 1.248 246 Q HN 0.236 nan 8.270 nan 0.000 0.542 247 E N 0.361 120.364 120.200 -0.329 0.000 2.498 247 E HA 0.194 4.544 4.350 0.000 0.000 0.203 247 E C 0.221 176.755 176.600 -0.110 0.000 1.013 247 E CA 0.234 56.532 56.400 -0.169 0.000 0.927 247 E CB 0.742 30.387 29.700 -0.092 0.000 1.012 247 E HN 0.460 nan 8.360 nan 0.000 0.482 248 G N 2.429 111.162 108.800 -0.112 0.000 2.249 248 G HA2 -0.331 3.629 3.960 0.000 0.000 0.273 248 G HA3 -0.331 3.629 3.960 0.000 0.000 0.273 248 G C 0.059 174.914 174.900 -0.075 0.000 1.036 248 G CA 0.510 45.562 45.100 -0.081 0.000 0.824 248 G HN 0.242 nan 8.290 nan 0.000 0.504 249 Q N -0.536 119.218 119.800 -0.077 0.000 2.185 249 Q HA 0.419 4.759 4.340 0.000 0.000 0.225 249 Q C -0.553 175.405 176.000 -0.070 0.000 0.983 249 Q CA -0.675 55.069 55.803 -0.098 0.000 0.950 249 Q CB 0.853 29.491 28.738 -0.168 0.000 1.176 249 Q HN 0.233 nan 8.270 nan 0.000 0.510 250 D N 1.522 121.874 120.400 -0.080 0.000 2.467 250 D HA 0.196 4.836 4.640 0.000 0.000 0.220 250 D C -0.750 175.512 176.300 -0.063 0.000 1.103 250 D CA -0.069 53.889 54.000 -0.071 0.000 0.886 250 D CB 0.908 41.653 40.800 -0.091 0.000 1.025 250 D HN 0.146 nan 8.370 nan 0.000 0.514 251 V N 1.944 121.838 119.914 -0.033 0.000 2.775 251 V HA 0.209 4.329 4.120 0.000 0.000 0.299 251 V C 0.310 176.383 176.094 -0.036 0.000 1.062 251 V CA -0.770 61.529 62.300 -0.001 0.000 1.063 251 V CB 1.408 33.283 31.823 0.087 0.000 0.994 251 V HN 0.286 nan 8.190 nan 0.000 0.483 252 L N 5.077 126.282 121.223 -0.029 0.000 2.316 252 L HA 0.603 4.943 4.340 0.000 0.000 0.280 252 L C -0.742 176.033 176.870 -0.158 0.000 1.006 252 L CA -0.211 54.552 54.840 -0.129 0.000 0.836 252 L CB 1.188 43.202 42.059 -0.076 0.000 1.221 252 L HN 0.694 nan 8.230 nan 0.000 0.418 253 L N 5.322 126.391 121.223 -0.258 0.000 2.287 253 L HA 0.612 4.953 4.340 0.000 0.000 0.287 253 L C -1.315 175.353 176.870 -0.337 0.000 1.022 253 L CA 0.146 54.880 54.840 -0.178 0.000 0.814 253 L CB 0.734 42.728 42.059 -0.108 0.000 1.217 253 L HN 0.406 nan 8.230 nan 0.000 0.420 254 F N 5.803 125.732 119.950 -0.035 0.000 2.420 254 F HA 0.539 5.066 4.527 0.000 0.000 0.342 254 F C 0.048 175.668 175.800 -0.300 0.000 1.113 254 F CA -0.355 57.583 58.000 -0.104 0.000 1.059 254 F CB 1.272 40.302 39.000 0.050 0.000 1.128 254 F HN 0.249 nan 8.300 nan 0.000 0.475 255 I N 2.954 123.450 120.570 -0.123 0.000 2.389 255 I HA 0.266 4.436 4.170 0.000 0.000 0.288 255 I C -1.112 174.890 176.117 -0.192 0.000 0.999 255 I CA -0.392 60.773 61.300 -0.224 0.000 1.129 255 I CB 1.632 39.513 38.000 -0.199 0.000 1.288 255 I HN 0.441 nan 8.210 nan 0.000 0.444 256 D N 6.796 127.031 120.400 -0.276 0.000 2.421 256 D HA 0.288 4.928 4.640 0.000 0.000 0.254 256 D C -1.131 175.140 176.300 -0.049 0.000 1.238 256 D CA -0.354 53.572 54.000 -0.123 0.000 0.919 256 D CB 0.982 41.738 40.800 -0.074 0.000 1.152 256 D HN 0.688 nan 8.370 nan 0.000 0.552 257 N N 1.890 120.601 118.700 0.018 0.000 2.545 257 N HA 0.287 5.027 4.740 0.000 0.000 0.289 257 N C 0.598 176.159 175.510 0.084 0.000 1.279 257 N CA -0.803 52.273 53.050 0.043 0.000 0.824 257 N CB 1.558 40.097 38.487 0.086 0.000 1.395 257 N HN 0.066 nan 8.380 nan 0.000 0.526 258 I N 0.195 120.814 120.570 0.082 0.000 2.439 258 I HA -0.040 4.130 4.170 0.000 0.000 0.251 258 I C 1.675 177.929 176.117 0.228 0.000 1.139 258 I CA 0.793 62.162 61.300 0.116 0.000 1.438 258 I CB -0.606 37.413 38.000 0.033 0.000 1.085 258 I HN 0.709 nan 8.210 nan 0.000 0.427 259 F N 1.509 121.537 119.950 0.130 0.000 2.171 259 F HA -0.199 4.328 4.527 0.000 0.000 0.300 259 F C 2.436 178.330 175.800 0.156 0.000 1.090 259 F CA 1.640 59.741 58.000 0.168 0.000 1.293 259 F CB -0.321 38.826 39.000 0.244 0.000 1.013 259 F HN -0.053 nan 8.300 nan 0.000 0.486 260 R N -0.942 119.664 120.500 0.177 0.000 2.235 260 R HA -0.128 4.212 4.340 0.000 0.000 0.213 260 R C 2.093 178.398 176.300 0.008 0.000 1.059 260 R CA 1.210 57.346 56.100 0.060 0.000 0.997 260 R CB -0.667 29.714 30.300 0.136 0.000 0.884 260 R HN 0.430 nan 8.270 nan 0.000 0.462 261 F N 1.340 121.241 119.950 -0.082 0.000 2.113 261 F HA -0.127 4.400 4.527 0.000 0.000 0.297 261 F C 1.998 177.731 175.800 -0.111 0.000 1.103 261 F CA 1.516 59.467 58.000 -0.082 0.000 1.248 261 F CB -0.509 38.450 39.000 -0.070 0.000 0.999 261 F HN -0.209 nan 8.300 nan 0.000 0.475 262 T N 0.662 114.990 114.554 -0.377 0.000 2.674 262 T HA -0.257 4.093 4.350 0.000 0.000 0.265 262 T C 1.955 176.429 174.700 -0.377 0.000 1.039 262 T CA 1.667 63.502 62.100 -0.441 0.000 1.150 262 T CB -0.498 68.200 68.868 -0.284 0.000 0.864 262 T HN 0.415 nan 8.240 nan 0.000 0.427 263 Q N 0.611 120.123 119.800 -0.480 0.000 2.096 263 Q HA -0.224 4.116 4.340 0.000 0.000 0.208 263 Q C 2.465 178.342 176.000 -0.205 0.000 0.993 263 Q CA 1.975 57.553 55.803 -0.374 0.000 0.862 263 Q CB -0.334 28.164 28.738 -0.399 0.000 0.915 263 Q HN 0.553 nan 8.270 nan 0.000 0.416 264 A N 0.166 122.872 122.820 -0.190 0.000 1.898 264 A HA -0.080 4.240 4.320 0.000 0.000 0.216 264 A C 2.268 179.761 177.584 -0.152 0.000 1.181 264 A CA 1.586 53.547 52.037 -0.128 0.000 0.620 264 A CB -1.128 17.823 19.000 -0.080 0.000 0.819 264 A HN 0.605 nan 8.150 nan 0.000 0.442 265 G N -0.978 107.668 108.800 -0.256 0.000 2.418 265 G HA2 -0.200 3.761 3.960 0.000 0.000 0.217 265 G HA3 -0.200 3.761 3.960 0.000 0.000 0.217 265 G C 1.886 176.702 174.900 -0.139 0.000 1.158 265 G CA 1.372 46.331 45.100 -0.236 0.000 0.771 265 G HN 0.503 nan 8.290 nan 0.000 0.545 266 S N 0.322 115.946 115.700 -0.126 0.000 2.387 266 S HA -0.150 4.320 4.470 0.000 0.000 0.230 266 S C 2.304 176.866 174.600 -0.063 0.000 1.035 266 S CA 2.050 60.209 58.200 -0.068 0.000 1.014 266 S CB -0.219 62.943 63.200 -0.064 0.000 0.836 266 S HN 0.635 nan 8.310 nan 0.000 0.466 267 E N -0.125 120.034 120.200 -0.069 0.000 2.051 267 E HA -0.048 4.302 4.350 0.000 0.000 0.189 267 E C 2.179 178.757 176.600 -0.036 0.000 0.979 267 E CA 1.150 57.522 56.400 -0.048 0.000 0.803 267 E CB -0.238 29.436 29.700 -0.043 0.000 0.761 267 E HN 0.306 nan 8.360 nan 0.000 0.451 268 V N 1.149 121.040 119.914 -0.040 0.000 2.252 268 V HA -0.321 3.799 4.120 0.000 0.000 0.249 268 V C 2.438 178.519 176.094 -0.022 0.000 1.056 268 V CA 2.066 64.351 62.300 -0.026 0.000 1.022 268 V CB -0.635 31.172 31.823 -0.027 0.000 0.641 268 V HN 0.265 nan 8.190 nan 0.000 0.445 269 S N -0.475 115.207 115.700 -0.030 0.000 2.365 269 S HA -0.271 4.199 4.470 0.000 0.000 0.221 269 S C 2.205 176.795 174.600 -0.016 0.000 1.037 269 S CA 1.935 60.122 58.200 -0.022 0.000 1.060 269 S CB -0.579 62.606 63.200 -0.025 0.000 0.974 269 S HN 0.662 nan 8.310 nan 0.000 0.427 270 A N 1.303 124.111 122.820 -0.021 0.000 1.903 270 A HA -0.141 4.179 4.320 0.000 0.000 0.219 270 A C 2.220 179.797 177.584 -0.012 0.000 1.191 270 A CA 1.979 54.005 52.037 -0.018 0.000 0.638 270 A CB -1.019 17.966 19.000 -0.024 0.000 0.823 270 A HN 0.605 nan 8.150 nan 0.000 0.451 271 L N -1.007 120.209 121.223 -0.012 0.000 2.201 271 L HA -0.070 4.270 4.340 0.000 0.000 0.212 271 L C 2.012 178.881 176.870 -0.002 0.000 1.105 271 L CA 0.567 55.404 54.840 -0.006 0.000 0.775 271 L CB -0.319 41.737 42.059 -0.005 0.000 0.913 271 L HN 0.353 nan 8.230 nan 0.000 0.440 272 L N -0.374 120.847 121.223 -0.003 0.000 2.599 272 L HA 0.085 4.425 4.340 0.000 0.000 0.230 272 L C 1.522 178.393 176.870 0.001 0.000 1.141 272 L CA 0.585 55.425 54.840 0.001 0.000 0.877 272 L CB -0.445 41.614 42.059 0.002 0.000 1.009 272 L HN 0.500 nan 8.230 nan 0.000 0.447 273 G N 0.316 109.115 108.800 -0.001 0.000 2.176 273 G HA2 -0.297 3.663 3.960 0.000 0.000 0.253 273 G HA3 -0.297 3.663 3.960 0.000 0.000 0.253 273 G C 0.400 175.300 174.900 -0.001 0.000 0.979 273 G CA -0.199 44.901 45.100 -0.000 0.000 0.641 273 G HN 0.352 nan 8.290 nan 0.000 0.530 274 R N -0.121 120.378 120.500 -0.002 0.000 2.590 274 R HA 0.460 4.800 4.340 0.000 0.000 0.274 274 R C 0.956 177.255 176.300 -0.001 0.000 1.061 274 R CA -0.233 55.867 56.100 -0.001 0.000 1.081 274 R CB 0.541 30.840 30.300 -0.002 0.000 0.984 274 R HN 0.337 nan 8.270 nan 0.000 0.448 275 I N 5.022 125.593 120.570 0.002 0.000 2.533 275 I HA 0.070 4.240 4.170 0.000 0.000 0.284 275 I C -1.693 174.427 176.117 0.006 0.000 1.109 275 I CA -1.746 59.556 61.300 0.003 0.000 1.412 275 I CB 0.698 38.701 38.000 0.004 0.000 1.396 275 I HN 0.321 nan 8.210 nan 0.000 0.543 276 P HA 0.048 nan 4.420 nan 0.000 0.269 276 P C -0.293 177.021 177.300 0.023 0.000 1.217 276 P CA -0.081 63.024 63.100 0.008 0.000 0.783 276 P CB 0.719 32.415 31.700 -0.006 0.000 0.898 277 S N 0.398 116.125 115.700 0.045 0.000 2.667 277 S HA 0.685 5.155 4.470 0.000 0.000 0.292 277 S C -0.444 174.200 174.600 0.074 0.000 1.108 277 S CA -0.441 57.795 58.200 0.060 0.000 0.992 277 S CB 0.060 63.307 63.200 0.078 0.000 1.269 277 S HN 0.505 nan 8.310 nan 0.000 0.528 278 A N 0.473 123.347 122.820 0.090 0.000 2.546 278 A HA 0.412 4.732 4.320 0.000 0.000 0.243 278 A C 0.994 178.679 177.584 0.169 0.000 1.063 278 A CA 0.468 52.567 52.037 0.102 0.000 0.757 278 A CB -0.905 18.150 19.000 0.091 0.000 0.991 278 A HN 1.619 nan 8.150 nan 0.000 0.503 279 V N 1.463 121.440 119.914 0.104 0.000 2.886 279 V HA -0.316 3.804 4.120 0.000 0.000 0.162 279 V C 1.806 177.829 176.094 -0.118 0.000 0.448 279 V CA 1.722 64.061 62.300 0.066 0.000 1.186 279 V CB -2.347 29.606 31.823 0.218 0.000 1.373 279 V HN 2.927 nan 8.190 nan 0.000 1.100 280 G N -2.598 106.158 108.800 -0.073 0.000 2.176 280 G HA2 -0.328 3.632 3.960 0.000 0.000 0.253 280 G HA3 -0.328 3.632 3.960 0.000 0.000 0.253 280 G C -0.093 174.699 174.900 -0.180 0.000 0.979 280 G CA 0.312 45.326 45.100 -0.143 0.000 0.641 280 G HN 0.855 nan 8.290 nan 0.000 0.530 281 Y N 1.632 121.930 120.300 -0.003 0.000 2.296 281 Y HA 0.417 4.967 4.550 0.000 0.000 0.343 281 Y C 1.407 177.287 175.900 -0.033 0.000 1.292 281 Y CA 0.060 58.145 58.100 -0.026 0.000 1.490 281 Y CB 0.379 38.827 38.460 -0.020 0.000 1.359 281 Y HN 0.370 nan 8.280 nan 0.000 0.599 282 Q N 3.172 123.052 119.800 0.134 0.000 2.373 282 Q HA 0.098 4.438 4.340 0.000 0.000 0.255 282 Q C -2.334 173.695 176.000 0.048 0.000 0.980 282 Q CA -1.781 54.050 55.803 0.047 0.000 0.882 282 Q CB 1.162 29.898 28.738 -0.002 0.000 1.249 282 Q HN 0.381 nan 8.270 nan 0.000 0.438 283 P HA -0.093 nan 4.420 nan 0.000 0.221 283 P C 0.753 178.061 177.300 0.014 0.000 1.150 283 P CA 1.292 64.407 63.100 0.024 0.000 0.800 283 P CB -0.079 31.631 31.700 0.016 0.000 0.787 284 T N -2.111 112.446 114.554 0.004 0.000 3.361 284 T HA 0.049 4.399 4.350 0.000 0.000 0.251 284 T C 1.519 176.215 174.700 -0.008 0.000 1.131 284 T CA -0.187 61.913 62.100 -0.001 0.000 1.001 284 T CB -0.886 67.977 68.868 -0.007 0.000 1.003 284 T HN -0.110 nan 8.240 nan 0.000 0.558 285 L N 2.090 123.307 121.223 -0.011 0.000 1.978 285 L HA -0.090 4.250 4.340 0.000 0.000 0.218 285 L C 2.679 179.543 176.870 -0.010 0.000 1.075 285 L CA 2.325 57.144 54.840 -0.035 0.000 0.767 285 L CB -1.205 40.824 42.059 -0.051 0.000 0.890 285 L HN 0.333 nan 8.230 nan 0.000 0.434 286 A N -1.660 121.169 122.820 0.016 0.000 1.969 286 A HA -0.175 4.145 4.320 0.000 0.000 0.218 286 A C 2.330 179.963 177.584 0.081 0.000 1.169 286 A CA 2.209 54.281 52.037 0.058 0.000 0.635 286 A CB -1.241 17.789 19.000 0.051 0.000 0.810 286 A HN 0.687 nan 8.150 nan 0.000 0.445 287 T N -2.752 111.835 114.554 0.055 0.000 2.896 287 T HA -0.094 4.256 4.350 0.000 0.000 0.263 287 T C 1.373 176.115 174.700 0.070 0.000 1.050 287 T CA 1.311 63.447 62.100 0.060 0.000 1.140 287 T CB -0.433 68.458 68.868 0.039 0.000 0.877 287 T HN 0.277 nan 8.240 nan 0.000 0.457 288 D N 0.927 121.357 120.400 0.050 0.000 2.133 288 D HA -0.077 4.563 4.640 0.000 0.000 0.195 288 D C 1.914 178.329 176.300 0.192 0.000 0.997 288 D CA 1.195 55.234 54.000 0.066 0.000 0.840 288 D CB -0.406 40.353 40.800 -0.068 0.000 0.947 288 D HN 0.308 nan 8.370 nan 0.000 0.452 289 M N 0.497 120.189 119.600 0.154 0.000 2.064 289 M HA 0.011 4.491 4.480 0.000 0.000 0.260 289 M C 2.080 178.374 176.300 -0.010 0.000 1.073 289 M CA 1.956 57.348 55.300 0.154 0.000 1.124 289 M CB -0.948 31.710 32.600 0.097 0.000 1.326 289 M HN 0.024 nan 8.290 nan 0.000 0.410 290 G N -1.191 107.647 108.800 0.063 0.000 2.491 290 G HA2 -0.306 3.654 3.960 0.000 0.000 0.218 290 G HA3 -0.306 3.654 3.960 0.000 0.000 0.218 290 G C 1.451 176.382 174.900 0.052 0.000 1.180 290 G CA 2.108 47.269 45.100 0.102 0.000 0.774 290 G HN 0.606 nan 8.290 nan 0.000 0.562 291 T N -1.394 113.199 114.554 0.065 0.000 2.803 291 T HA -0.129 4.221 4.350 0.000 0.000 0.269 291 T C 2.211 176.929 174.700 0.029 0.000 1.052 291 T CA 1.738 63.873 62.100 0.059 0.000 1.136 291 T CB -0.188 68.730 68.868 0.083 0.000 0.864 291 T HN 0.161 nan 8.240 nan 0.000 0.467 292 M N 0.708 120.312 119.600 0.007 0.000 2.134 292 M HA 0.041 4.521 4.480 0.000 0.000 0.262 292 M C 2.177 178.383 176.300 -0.157 0.000 1.076 292 M CA 1.483 56.727 55.300 -0.093 0.000 1.143 292 M CB -0.702 31.779 32.600 -0.200 0.000 1.346 292 M HN 0.205 nan 8.290 nan 0.000 0.421 293 Q N 0.189 119.859 119.800 -0.216 0.000 2.436 293 Q HA -0.089 4.251 4.340 0.000 0.000 0.209 293 Q C 1.424 177.362 176.000 -0.103 0.000 0.965 293 Q CA 0.823 56.467 55.803 -0.266 0.000 0.910 293 Q CB -0.074 28.282 28.738 -0.635 0.000 0.980 293 Q HN 0.558 nan 8.270 nan 0.000 0.491 294 E N 0.348 120.527 120.200 -0.035 0.000 2.442 294 E HA -0.011 4.339 4.350 0.000 0.000 0.195 294 E C 1.503 178.102 176.600 -0.001 0.000 1.030 294 E CA 0.188 56.602 56.400 0.025 0.000 0.869 294 E CB 0.231 29.966 29.700 0.058 0.000 0.857 294 E HN 0.311 nan 8.360 nan 0.000 0.505 295 R N 0.091 120.574 120.500 -0.028 0.000 2.240 295 R HA 0.175 4.515 4.340 0.000 0.000 0.203 295 R C 0.897 177.172 176.300 -0.042 0.000 1.011 295 R CA 0.195 56.277 56.100 -0.030 0.000 1.007 295 R CB 0.151 30.430 30.300 -0.034 0.000 0.911 295 R HN 0.018 nan 8.270 nan 0.000 0.468 296 I N 2.720 123.255 120.570 -0.059 0.000 2.278 296 I HA 0.022 4.192 4.170 0.000 0.000 0.300 296 I C -0.120 175.966 176.117 -0.053 0.000 1.174 296 I CA 0.196 61.455 61.300 -0.069 0.000 1.347 296 I CB -0.117 37.823 38.000 -0.100 0.000 1.473 296 I HN 0.139 nan 8.210 nan 0.000 0.595 297 T N -0.235 114.291 114.554 -0.047 0.000 2.787 297 T HA 0.362 4.712 4.350 0.000 0.000 0.297 297 T C -0.203 174.466 174.700 -0.051 0.000 1.221 297 T CA -0.940 61.133 62.100 -0.045 0.000 1.006 297 T CB 1.474 70.321 68.868 -0.036 0.000 1.328 297 T HN 0.130 nan 8.240 nan 0.000 0.509 298 T N 2.858 117.379 114.554 -0.054 0.000 2.727 298 T HA 0.499 4.849 4.350 0.000 0.000 0.295 298 T C 1.071 175.736 174.700 -0.059 0.000 0.915 298 T CA -0.489 61.576 62.100 -0.058 0.000 1.066 298 T CB 0.243 69.075 68.868 -0.060 0.000 0.891 298 T HN 0.910 nan 8.240 nan 0.000 0.516 299 T N 1.396 115.917 114.554 -0.054 0.000 2.914 299 T HA 0.365 4.715 4.350 0.000 0.000 0.313 299 T C 1.221 175.887 174.700 -0.056 0.000 1.137 299 T CA -0.576 61.492 62.100 -0.055 0.000 0.946 299 T CB 0.802 69.643 68.868 -0.046 0.000 1.558 299 T HN 0.363 nan 8.240 nan 0.000 0.565 300 K N -0.488 119.881 120.400 -0.052 0.000 2.323 300 K HA 0.242 4.563 4.320 0.000 0.000 0.197 300 K C 2.119 178.693 176.600 -0.044 0.000 1.043 300 K CA 0.270 56.529 56.287 -0.048 0.000 0.997 300 K CB 0.094 32.567 32.500 -0.045 0.000 0.807 300 K HN 0.391 nan 8.250 nan 0.000 0.497 301 K N -0.238 120.135 120.400 -0.045 0.000 2.444 301 K HA 0.084 4.404 4.320 0.000 0.000 0.193 301 K C 0.326 176.896 176.600 -0.050 0.000 1.024 301 K CA 0.252 56.511 56.287 -0.047 0.000 1.077 301 K CB 0.789 33.259 32.500 -0.049 0.000 0.833 301 K HN 0.271 nan 8.250 nan 0.000 0.517 302 G N -0.414 108.357 108.800 -0.050 0.000 2.403 302 G HA2 0.106 4.066 3.960 0.000 0.000 0.223 302 G HA3 0.106 4.066 3.960 0.000 0.000 0.223 302 G C -1.519 173.350 174.900 -0.052 0.000 1.287 302 G CA -0.250 44.819 45.100 -0.051 0.000 0.982 302 G HN 0.154 nan 8.290 nan 0.000 0.471 303 S N -1.270 114.399 115.700 -0.052 0.000 2.558 303 S HA 0.670 5.140 4.470 0.000 0.000 0.277 303 S C -1.457 173.113 174.600 -0.049 0.000 1.143 303 S CA -0.688 57.479 58.200 -0.055 0.000 0.865 303 S CB 1.309 64.469 63.200 -0.066 0.000 1.102 303 S HN 1.102 nan 8.310 nan 0.000 0.454 304 I N 2.567 123.106 120.570 -0.051 0.000 2.362 304 I HA 0.422 4.592 4.170 0.000 0.000 0.289 304 I C -0.305 175.761 176.117 -0.085 0.000 0.994 304 I CA -0.379 60.888 61.300 -0.055 0.000 1.158 304 I CB 2.124 40.099 38.000 -0.042 0.000 1.315 304 I HN 0.681 nan 8.210 nan 0.000 0.451 305 T N 4.003 118.491 114.554 -0.109 0.000 2.797 305 T HA 0.314 4.664 4.350 0.000 0.000 0.279 305 T C -0.297 174.272 174.700 -0.218 0.000 0.991 305 T CA -0.523 61.490 62.100 -0.145 0.000 0.979 305 T CB 1.565 70.359 68.868 -0.123 0.000 0.943 305 T HN 0.495 nan 8.240 nan 0.000 0.444 306 S N 2.193 117.749 115.700 -0.240 0.000 2.473 306 S HA 0.601 5.071 4.470 0.000 0.000 0.307 306 S C -0.596 173.797 174.600 -0.345 0.000 1.094 306 S CA -0.625 57.397 58.200 -0.297 0.000 1.070 306 S CB 0.600 63.664 63.200 -0.227 0.000 1.019 306 S HN 0.476 nan 8.310 nan 0.000 0.480 307 V N 6.088 125.743 119.914 -0.431 0.000 2.328 307 V HA 0.433 4.553 4.120 0.000 0.000 0.278 307 V C -0.362 175.660 176.094 -0.120 0.000 1.021 307 V CA -0.537 61.587 62.300 -0.294 0.000 0.838 307 V CB 1.093 32.785 31.823 -0.217 0.000 0.999 307 V HN 0.855 nan 8.190 nan 0.000 0.447 308 Q N 3.008 122.734 119.800 -0.123 0.000 2.316 308 Q HA 0.744 5.084 4.340 0.000 0.000 0.264 308 Q C -0.150 175.803 176.000 -0.080 0.000 0.987 308 Q CA -0.521 55.224 55.803 -0.097 0.000 0.852 308 Q CB 2.334 30.987 28.738 -0.143 0.000 1.287 308 Q HN 0.863 nan 8.270 nan 0.000 0.448 309 A N 3.003 125.802 122.820 -0.036 0.000 2.354 309 A HA 0.432 4.752 4.320 0.000 0.000 0.281 309 A C -0.595 176.940 177.584 -0.082 0.000 1.174 309 A CA -0.241 51.775 52.037 -0.036 0.000 0.828 309 A CB -0.043 18.977 19.000 0.034 0.000 1.099 309 A HN 0.678 nan 8.150 nan 0.000 0.516 310 I N 2.776 123.209 120.570 -0.229 0.000 2.339 310 I HA 0.241 4.411 4.170 0.000 0.000 0.290 310 I C -0.572 175.477 176.117 -0.113 0.000 0.994 310 I CA -0.143 60.993 61.300 -0.273 0.000 1.191 310 I CB 1.104 38.671 38.000 -0.721 0.000 1.343 310 I HN 0.646 nan 8.210 nan 0.000 0.458 311 Y N 7.045 127.302 120.300 -0.072 0.000 2.330 311 Y HA 0.619 5.169 4.550 0.000 0.000 0.336 311 Y C -0.695 175.159 175.900 -0.077 0.000 1.036 311 Y CA -0.929 57.118 58.100 -0.089 0.000 1.125 311 Y CB 1.273 39.647 38.460 -0.144 0.000 1.194 311 Y HN 0.237 nan 8.280 nan 0.000 0.469 312 V N 9.309 128.754 119.914 -0.780 0.000 2.311 312 V HA 0.329 4.449 4.120 0.000 0.000 0.275 312 V C -2.230 173.336 176.094 -0.879 0.000 1.022 312 V CA -2.075 59.901 62.300 -0.541 0.000 0.830 312 V CB 0.829 32.563 31.823 -0.149 0.000 1.012 312 V HN 0.726 nan 8.190 nan 0.000 0.452 313 P HA 0.163 nan 4.420 nan 0.000 0.268 313 P C 0.586 177.773 177.300 -0.188 0.000 1.204 313 P CA 0.456 63.315 63.100 -0.403 0.000 0.768 313 P CB 0.672 32.314 31.700 -0.096 0.000 0.842 314 A N 3.533 126.286 122.820 -0.112 0.000 2.771 314 A HA -0.263 4.057 4.320 0.000 0.000 0.294 314 A C 0.840 178.392 177.584 -0.052 0.000 1.500 314 A CA 1.140 53.150 52.037 -0.044 0.000 0.829 314 A CB -2.464 16.532 19.000 -0.008 0.000 0.998 314 A HN 0.702 nan 8.150 nan 0.000 0.526 315 D N -1.206 119.137 120.400 -0.094 0.000 2.782 315 D HA -0.200 4.440 4.640 0.000 0.000 0.231 315 D C -0.162 176.112 176.300 -0.043 0.000 1.163 315 D CA 1.948 55.909 54.000 -0.066 0.000 0.680 315 D CB -0.720 40.067 40.800 -0.022 0.000 1.062 315 D HN 0.892 nan 8.370 nan 0.000 0.425 316 D N 0.167 120.536 120.400 -0.052 0.000 2.454 316 D HA 0.256 4.896 4.640 0.000 0.000 0.225 316 D C 1.460 177.740 176.300 -0.034 0.000 1.081 316 D CA -0.537 53.444 54.000 -0.031 0.000 0.864 316 D CB 0.569 41.362 40.800 -0.011 0.000 1.040 316 D HN 0.035 nan 8.370 nan 0.000 0.517 317 L N 2.323 123.513 121.223 -0.055 0.000 2.083 317 L HA -0.150 4.190 4.340 0.000 0.000 0.209 317 L C 2.450 179.228 176.870 -0.153 0.000 1.083 317 L CA 1.627 56.396 54.840 -0.119 0.000 0.752 317 L CB -0.457 41.483 42.059 -0.199 0.000 0.899 317 L HN 0.516 nan 8.230 nan 0.000 0.433 318 T N -3.721 110.772 114.554 -0.102 0.000 3.035 318 T HA -0.152 4.198 4.350 0.000 0.000 0.268 318 T C 0.887 175.569 174.700 -0.030 0.000 1.109 318 T CA -0.020 62.033 62.100 -0.078 0.000 1.119 318 T CB -0.470 68.366 68.868 -0.053 0.000 0.900 318 T HN 0.253 nan 8.240 nan 0.000 0.503 319 D N 2.808 123.209 120.400 0.003 0.000 2.583 319 D HA -0.003 4.637 4.640 0.000 0.000 0.232 319 D C -1.451 174.860 176.300 0.018 0.000 1.128 319 D CA -1.230 52.807 54.000 0.062 0.000 0.859 319 D CB 1.316 42.181 40.800 0.108 0.000 1.169 319 D HN 0.067 nan 8.370 nan 0.000 0.481 320 P HA -0.201 nan 4.420 nan 0.000 0.218 320 P C 0.777 177.872 177.300 -0.341 0.000 1.150 320 P CA 1.827 64.799 63.100 -0.213 0.000 0.841 320 P CB 0.162 31.663 31.700 -0.331 0.000 0.784 321 A N -0.180 122.422 122.820 -0.362 0.000 1.840 321 A HA -0.062 4.258 4.320 0.000 0.000 0.214 321 A C -0.027 177.612 177.584 0.091 0.000 1.198 321 A CA 1.757 53.695 52.037 -0.165 0.000 0.608 321 A CB -2.116 16.983 19.000 0.163 0.000 0.839 321 A HN 0.204 nan 8.150 nan 0.000 0.443 322 P HA -0.172 nan 4.420 nan 0.000 0.214 322 P C 1.711 179.241 177.300 0.385 0.000 1.163 322 P CA 2.199 65.505 63.100 0.343 0.000 0.883 322 P CB -0.309 31.575 31.700 0.306 0.000 0.788 323 A N -0.285 122.609 122.820 0.124 0.000 1.927 323 A HA -0.228 4.093 4.320 0.000 0.000 0.220 323 A C 2.414 180.085 177.584 0.146 0.000 1.185 323 A CA 2.878 54.945 52.037 0.050 0.000 0.639 323 A CB -2.044 16.939 19.000 -0.028 0.000 0.820 323 A HN 0.220 nan 8.150 nan 0.000 0.451 324 T N -0.181 114.440 114.554 0.112 0.000 2.708 324 T HA -0.120 4.230 4.350 0.000 0.000 0.266 324 T C 2.030 176.868 174.700 0.230 0.000 1.037 324 T CA 1.986 64.162 62.100 0.126 0.000 1.146 324 T CB -0.616 68.283 68.868 0.052 0.000 0.865 324 T HN 0.641 nan 8.240 nan 0.000 0.435 325 T N 1.727 116.430 114.554 0.247 0.000 2.759 325 T HA -0.064 4.286 4.350 0.000 0.000 0.269 325 T C 1.518 176.335 174.700 0.195 0.000 1.042 325 T CA 1.002 63.223 62.100 0.203 0.000 1.140 325 T CB -0.593 68.334 68.868 0.099 0.000 0.864 325 T HN 0.305 nan 8.240 nan 0.000 0.455 326 F N 1.618 121.633 119.950 0.109 0.000 2.494 326 F HA 0.123 4.650 4.527 0.000 0.000 0.298 326 F C 2.447 178.279 175.800 0.053 0.000 1.106 326 F CA 0.189 58.246 58.000 0.095 0.000 1.452 326 F CB -0.649 38.403 39.000 0.087 0.000 1.085 326 F HN 0.164 nan 8.300 nan 0.000 0.569 327 A N -0.993 121.938 122.820 0.186 0.000 1.968 327 A HA -0.139 4.181 4.320 0.000 0.000 0.217 327 A C 1.805 179.316 177.584 -0.122 0.000 1.169 327 A CA 1.240 53.277 52.037 -0.000 0.000 0.638 327 A CB -0.727 18.220 19.000 -0.089 0.000 0.812 327 A HN 0.434 nan 8.150 nan 0.000 0.446 328 H N -1.027 118.060 119.070 0.027 0.000 2.539 328 H HA 0.290 4.846 4.556 0.000 0.000 0.269 328 H C -0.113 175.190 175.328 -0.041 0.000 0.980 328 H CA -0.022 56.020 56.048 -0.010 0.000 1.152 328 H CB 0.092 29.840 29.762 -0.023 0.000 1.407 328 H HN 0.290 nan 8.280 nan 0.000 0.564 329 L N 1.537 122.787 121.223 0.045 0.000 2.326 329 L HA 0.099 4.439 4.340 0.000 0.000 0.278 329 L C 0.686 177.547 176.870 -0.014 0.000 1.092 329 L CA 0.025 54.849 54.840 -0.027 0.000 0.810 329 L CB 1.234 43.224 42.059 -0.115 0.000 1.153 329 L HN 0.092 nan 8.230 nan 0.000 0.439 330 D N 2.061 122.440 120.400 -0.035 0.000 2.433 330 D HA 0.317 4.957 4.640 0.000 0.000 0.211 330 D C 0.117 176.411 176.300 -0.010 0.000 1.114 330 D CA 0.328 54.316 54.000 -0.020 0.000 0.837 330 D CB 1.649 42.431 40.800 -0.030 0.000 0.984 330 D HN 0.553 nan 8.370 nan 0.000 0.505 331 A N 0.667 123.472 122.820 -0.025 0.000 2.594 331 A HA 0.497 4.817 4.320 0.000 0.000 0.296 331 A C -0.708 176.881 177.584 0.007 0.000 1.056 331 A CA -0.717 51.324 52.037 0.006 0.000 0.693 331 A CB 1.228 20.243 19.000 0.024 0.000 1.278 331 A HN -0.044 nan 8.150 nan 0.000 0.408 332 T N -0.711 113.879 114.554 0.060 0.000 2.829 332 T HA 0.745 5.095 4.350 0.000 0.000 0.280 332 T C -0.489 174.302 174.700 0.150 0.000 0.999 332 T CA -0.521 61.650 62.100 0.118 0.000 0.983 332 T CB 1.531 70.413 68.868 0.023 0.000 0.968 332 T HN 0.672 nan 8.240 nan 0.000 0.446 333 T N 2.971 117.660 114.554 0.225 0.000 2.893 333 T HA 0.425 4.775 4.350 0.000 0.000 0.324 333 T C -0.069 174.783 174.700 0.254 0.000 1.082 333 T CA -0.555 61.688 62.100 0.239 0.000 0.983 333 T CB 0.567 69.625 68.868 0.317 0.000 1.005 333 T HN 0.644 nan 8.240 nan 0.000 0.475 334 V N 5.258 125.279 119.914 0.179 0.000 2.389 334 V HA 0.274 4.394 4.120 0.000 0.000 0.264 334 V C 0.424 176.606 176.094 0.148 0.000 1.049 334 V CA -0.701 61.707 62.300 0.180 0.000 0.932 334 V CB 0.510 32.372 31.823 0.066 0.000 1.011 334 V HN 0.771 nan 8.190 nan 0.000 0.475 335 L N 4.750 126.076 121.223 0.171 0.000 2.385 335 L HA 0.230 4.570 4.340 0.000 0.000 0.281 335 L C 0.884 177.814 176.870 0.100 0.000 1.106 335 L CA 0.604 55.523 54.840 0.131 0.000 0.856 335 L CB 1.035 43.183 42.059 0.149 0.000 1.186 335 L HN 0.740 nan 8.230 nan 0.000 0.453 336 S N 3.119 118.854 115.700 0.058 0.000 2.584 336 S HA 0.228 4.698 4.470 0.000 0.000 0.273 336 S C 1.108 175.720 174.600 0.020 0.000 1.311 336 S CA -0.434 57.789 58.200 0.038 0.000 1.034 336 S CB 1.251 64.461 63.200 0.017 0.000 0.939 336 S HN 0.716 nan 8.310 nan 0.000 0.513 337 R N 2.764 123.281 120.500 0.029 0.000 2.066 337 R HA 0.113 4.453 4.340 0.000 0.000 0.224 337 R C 2.278 178.579 176.300 0.001 0.000 1.122 337 R CA 1.278 57.393 56.100 0.024 0.000 0.974 337 R CB -0.695 29.629 30.300 0.039 0.000 0.871 337 R HN 0.768 nan 8.270 nan 0.000 0.435 338 A N 0.538 123.359 122.820 0.002 0.000 2.015 338 A HA -0.089 4.231 4.320 0.000 0.000 0.219 338 A C 1.995 179.563 177.584 -0.026 0.000 1.163 338 A CA 1.082 53.117 52.037 -0.004 0.000 0.646 338 A CB -0.347 18.656 19.000 0.005 0.000 0.806 338 A HN 0.347 nan 8.150 nan 0.000 0.448 339 I N -0.793 119.750 120.570 -0.044 0.000 2.876 339 I HA -0.118 4.052 4.170 0.000 0.000 0.264 339 I C 2.722 178.735 176.117 -0.173 0.000 1.204 339 I CA 0.673 61.926 61.300 -0.078 0.000 1.485 339 I CB -0.016 37.947 38.000 -0.061 0.000 1.103 339 I HN 0.342 nan 8.210 nan 0.000 0.446 340 A N 0.622 123.323 122.820 -0.198 0.000 1.897 340 A HA -0.158 4.162 4.320 0.000 0.000 0.215 340 A C 2.139 179.611 177.584 -0.187 0.000 1.181 340 A CA 1.332 53.153 52.037 -0.361 0.000 0.620 340 A CB -0.393 18.492 19.000 -0.192 0.000 0.821 340 A HN 0.396 nan 8.150 nan 0.000 0.443 341 E N -0.388 119.777 120.200 -0.058 0.000 2.274 341 E HA 0.039 4.389 4.350 0.000 0.000 0.194 341 E C 1.320 177.917 176.600 -0.004 0.000 0.996 341 E CA 0.252 56.654 56.400 0.005 0.000 0.840 341 E CB -0.127 29.582 29.700 0.016 0.000 0.772 341 E HN 0.522 nan 8.360 nan 0.000 0.491 342 L N 0.088 121.290 121.223 -0.035 0.000 2.693 342 L HA 0.036 4.376 4.340 0.000 0.000 0.242 342 L C 1.149 177.993 176.870 -0.043 0.000 1.157 342 L CA 0.379 55.197 54.840 -0.037 0.000 0.929 342 L CB -0.274 41.762 42.059 -0.037 0.000 1.103 342 L HN 0.382 nan 8.230 nan 0.000 0.430 343 G N -0.152 108.646 108.800 -0.003 0.000 2.363 343 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 343 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 343 G C 0.483 175.493 174.900 0.184 0.000 1.062 343 G CA -0.020 45.154 45.100 0.122 0.000 0.629 343 G HN 0.155 nan 8.290 nan 0.000 0.514 344 I N 1.402 121.990 120.570 0.031 0.000 2.662 344 I HA 0.294 4.464 4.170 0.000 0.000 0.285 344 I C -0.032 175.942 176.117 -0.239 0.000 1.161 344 I CA 0.465 61.803 61.300 0.063 0.000 1.415 344 I CB -0.751 37.261 38.000 0.021 0.000 1.385 344 I HN 0.197 nan 8.210 nan 0.000 0.552 345 Y N 7.222 127.517 120.300 -0.008 0.000 2.421 345 Y HA 0.357 4.907 4.550 0.000 0.000 0.339 345 Y C -2.117 173.612 175.900 -0.285 0.000 0.996 345 Y CA -2.114 55.904 58.100 -0.137 0.000 1.046 345 Y CB 2.431 40.788 38.460 -0.171 0.000 1.226 345 Y HN 0.433 nan 8.280 nan 0.000 0.445 346 P HA 0.135 nan 4.420 nan 0.000 0.275 346 P C -0.281 177.008 177.300 -0.018 0.000 1.228 346 P CA -0.285 62.809 63.100 -0.011 0.000 0.786 346 P CB 1.358 33.103 31.700 0.076 0.000 0.927 347 A N 2.994 125.791 122.820 -0.038 0.000 2.233 347 A HA 0.152 4.472 4.320 0.000 0.000 0.230 347 A C 0.565 178.144 177.584 -0.008 0.000 1.347 347 A CA -0.143 51.823 52.037 -0.117 0.000 1.087 347 A CB -1.270 17.628 19.000 -0.169 0.000 0.871 347 A HN 0.380 nan 8.150 nan 0.000 0.519 348 V N 1.422 121.354 119.914 0.030 0.000 2.479 348 V HA 0.007 4.127 4.120 0.000 0.000 0.281 348 V C 0.552 176.663 176.094 0.029 0.000 1.031 348 V CA -0.498 61.837 62.300 0.058 0.000 1.038 348 V CB 0.737 32.608 31.823 0.080 0.000 0.981 348 V HN 0.520 nan 8.190 nan 0.000 0.478 349 D N 8.281 128.701 120.400 0.034 0.000 2.382 349 D HA 0.095 4.735 4.640 0.000 0.000 0.259 349 D C -1.501 174.806 176.300 0.011 0.000 1.224 349 D CA -1.200 52.811 54.000 0.019 0.000 0.894 349 D CB 1.852 42.664 40.800 0.020 0.000 1.127 349 D HN 0.350 nan 8.370 nan 0.000 0.487 350 P HA 0.044 nan 4.420 nan 0.000 0.249 350 P C 0.984 178.271 177.300 -0.022 0.000 1.229 350 P CA 0.297 63.384 63.100 -0.021 0.000 0.788 350 P CB 0.426 32.102 31.700 -0.040 0.000 1.072 351 L N -1.569 119.648 121.223 -0.010 0.000 2.803 351 L HA 0.259 4.599 4.340 0.000 0.000 0.246 351 L C 1.841 178.702 176.870 -0.015 0.000 1.100 351 L CA 0.207 55.040 54.840 -0.011 0.000 0.919 351 L CB 0.002 42.059 42.059 -0.002 0.000 1.285 351 L HN -0.193 nan 8.230 nan 0.000 0.522 352 D N 0.057 120.447 120.400 -0.017 0.000 2.240 352 D HA 0.042 4.682 4.640 0.000 0.000 0.206 352 D C 0.598 176.873 176.300 -0.042 0.000 0.963 352 D CA 0.492 54.468 54.000 -0.040 0.000 0.863 352 D CB 0.476 41.246 40.800 -0.050 0.000 0.973 352 D HN 0.059 nan 8.370 nan 0.000 0.501 353 S N 0.612 116.307 115.700 -0.008 0.000 2.505 353 S HA 0.278 4.748 4.470 0.000 0.000 0.276 353 S C 0.418 175.030 174.600 0.019 0.000 1.274 353 S CA -0.197 58.015 58.200 0.019 0.000 1.053 353 S CB 1.184 64.416 63.200 0.054 0.000 0.919 353 S HN 0.202 nan 8.310 nan 0.000 0.490 354 T N -0.014 114.557 114.554 0.028 0.000 2.901 354 T HA 0.745 5.095 4.350 0.000 0.000 0.293 354 T C -0.492 174.240 174.700 0.054 0.000 1.084 354 T CA -0.880 61.240 62.100 0.034 0.000 1.008 354 T CB 1.848 70.731 68.868 0.024 0.000 1.170 354 T HN 0.373 nan 8.240 nan 0.000 0.509 355 S N -1.041 114.691 115.700 0.053 0.000 2.548 355 S HA 0.470 4.940 4.470 0.000 0.000 0.286 355 S C 0.849 175.474 174.600 0.042 0.000 1.098 355 S CA -0.895 57.338 58.200 0.055 0.000 0.930 355 S CB 1.971 65.209 63.200 0.064 0.000 1.070 355 S HN 0.854 nan 8.310 nan 0.000 0.480 356 R N 2.256 122.774 120.500 0.030 0.000 2.075 356 R HA 0.043 4.383 4.340 0.000 0.000 0.226 356 R C 1.643 177.946 176.300 0.006 0.000 1.114 356 R CA 1.810 57.921 56.100 0.018 0.000 0.972 356 R CB -0.559 29.747 30.300 0.010 0.000 0.869 356 R HN 0.833 nan 8.270 nan 0.000 0.437 357 I N -0.456 120.113 120.570 -0.001 0.000 3.456 357 I HA 0.082 4.252 4.170 0.000 0.000 0.291 357 I C 0.687 176.783 176.117 -0.036 0.000 1.307 357 I CA 0.132 61.417 61.300 -0.024 0.000 1.333 357 I CB -0.192 37.790 38.000 -0.030 0.000 1.032 357 I HN -0.015 nan 8.210 nan 0.000 0.506 358 M N 2.759 122.362 119.600 0.005 0.000 3.237 358 M HA 0.300 4.780 4.480 0.000 0.000 0.266 358 M C -0.910 175.453 176.300 0.105 0.000 1.456 358 M CA -0.264 55.069 55.300 0.055 0.000 1.593 358 M CB -1.339 31.312 32.600 0.086 0.000 1.129 358 M HN 0.409 nan 8.290 nan 0.000 0.547 359 D N 3.058 123.464 120.400 0.011 0.000 2.977 359 D HA 0.408 5.048 4.640 0.000 0.000 0.220 359 D C -2.237 173.941 176.300 -0.204 0.000 1.267 359 D CA -1.282 52.628 54.000 -0.150 0.000 0.884 359 D CB 2.032 42.761 40.800 -0.118 0.000 1.667 359 D HN 0.134 nan 8.370 nan 0.000 0.536 360 P HA -0.161 nan 4.420 nan 0.000 0.218 360 P C 0.690 177.919 177.300 -0.118 0.000 1.148 360 P CA 0.945 63.907 63.100 -0.229 0.000 0.822 360 P CB 0.225 31.718 31.700 -0.346 0.000 0.784 361 N N -0.451 118.170 118.700 -0.132 0.000 2.381 361 N HA -0.033 4.707 4.740 0.000 0.000 0.182 361 N C 1.834 177.308 175.510 -0.061 0.000 1.025 361 N CA 0.886 53.887 53.050 -0.081 0.000 0.888 361 N CB -0.195 38.245 38.487 -0.079 0.000 0.965 361 N HN 0.309 nan 8.380 nan 0.000 0.438 362 I N -0.197 120.331 120.570 -0.071 0.000 2.810 362 I HA -0.078 4.092 4.170 0.000 0.000 0.262 362 I C 1.565 177.645 176.117 -0.060 0.000 1.131 362 I CA 0.487 61.750 61.300 -0.060 0.000 1.453 362 I CB 0.314 38.276 38.000 -0.065 0.000 1.161 362 I HN -0.111 nan 8.210 nan 0.000 0.444 363 V N -1.801 118.065 119.914 -0.080 0.000 3.276 363 V HA 0.671 4.791 4.120 0.000 0.000 0.319 363 V C 0.630 176.729 176.094 0.008 0.000 1.427 363 V CA -0.125 62.116 62.300 -0.100 0.000 1.102 363 V CB -0.745 30.862 31.823 -0.359 0.000 1.020 363 V HN 0.409 nan 8.190 nan 0.000 0.456 364 G N 0.236 109.051 108.800 0.025 0.000 2.692 364 G HA2 -0.122 3.839 3.960 0.000 0.000 0.686 364 G HA3 -0.122 3.839 3.960 0.000 0.000 0.686 364 G C 0.247 175.210 174.900 0.105 0.000 1.243 364 G CA 0.009 45.149 45.100 0.067 0.000 0.782 364 G HN 0.349 nan 8.290 nan 0.000 0.625 365 S N -0.588 115.167 115.700 0.091 0.000 2.383 365 S HA -0.063 4.407 4.470 0.000 0.000 0.227 365 S C 1.988 176.691 174.600 0.171 0.000 1.026 365 S CA 1.992 60.265 58.200 0.121 0.000 0.981 365 S CB -0.188 63.060 63.200 0.080 0.000 0.818 365 S HN 0.654 nan 8.310 nan 0.000 0.472 366 E N -0.290 119.994 120.200 0.140 0.000 2.051 366 E HA -0.222 4.128 4.350 0.000 0.000 0.192 366 E C 1.890 178.587 176.600 0.160 0.000 0.991 366 E CA 1.282 57.758 56.400 0.127 0.000 0.799 366 E CB -0.233 29.523 29.700 0.094 0.000 0.748 366 E HN 0.719 nan 8.360 nan 0.000 0.449 367 H N -1.394 117.727 119.070 0.085 0.000 2.352 367 H HA -0.220 4.336 4.556 0.000 0.000 0.299 367 H C 2.042 177.423 175.328 0.088 0.000 1.097 367 H CA 1.894 57.987 56.048 0.075 0.000 1.311 367 H CB -0.029 29.776 29.762 0.073 0.000 1.377 367 H HN 0.233 nan 8.280 nan 0.000 0.504 368 Y N 1.309 121.722 120.300 0.189 0.000 2.133 368 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 368 Y C 2.230 178.175 175.900 0.074 0.000 1.134 368 Y CA 1.889 60.050 58.100 0.101 0.000 1.133 368 Y CB -0.326 38.161 38.460 0.045 0.000 0.987 368 Y HN 0.287 nan 8.280 nan 0.000 0.502 369 D N -0.607 119.847 120.400 0.090 0.000 2.144 369 D HA -0.174 4.466 4.640 0.000 0.000 0.199 369 D C 2.285 178.551 176.300 -0.056 0.000 0.984 369 D CA 1.700 55.695 54.000 -0.010 0.000 0.834 369 D CB 0.012 40.863 40.800 0.085 0.000 0.955 369 D HN 0.315 nan 8.370 nan 0.000 0.465 370 V N 1.524 121.429 119.914 -0.015 0.000 2.283 370 V HA -0.188 3.932 4.120 0.000 0.000 0.243 370 V C 2.545 178.596 176.094 -0.071 0.000 1.039 370 V CA 1.777 64.066 62.300 -0.019 0.000 1.016 370 V CB -0.589 31.236 31.823 0.005 0.000 0.650 370 V HN 0.155 nan 8.190 nan 0.000 0.449 371 A N -0.670 122.093 122.820 -0.095 0.000 2.015 371 A HA -0.132 4.188 4.320 0.000 0.000 0.219 371 A C 2.300 179.779 177.584 -0.175 0.000 1.163 371 A CA 1.050 53.006 52.037 -0.136 0.000 0.646 371 A CB -0.383 18.578 19.000 -0.065 0.000 0.806 371 A HN 0.361 nan 8.150 nan 0.000 0.448 372 R N -0.596 119.750 120.500 -0.258 0.000 2.148 372 R HA -0.059 4.281 4.340 0.000 0.000 0.223 372 R C 2.246 178.452 176.300 -0.156 0.000 1.088 372 R CA 1.057 56.989 56.100 -0.280 0.000 0.985 372 R CB -0.763 29.237 30.300 -0.501 0.000 0.880 372 R HN 0.533 nan 8.270 nan 0.000 0.451 373 G N 0.116 108.846 108.800 -0.117 0.000 2.394 373 G HA2 -0.148 3.812 3.960 0.000 0.000 0.215 373 G HA3 -0.148 3.812 3.960 0.000 0.000 0.215 373 G C 1.497 176.368 174.900 -0.049 0.000 1.165 373 G CA 0.373 45.437 45.100 -0.060 0.000 0.784 373 G HN 0.117 nan 8.290 nan 0.000 0.535 374 V N 0.533 120.405 119.914 -0.070 0.000 2.343 374 V HA -0.246 3.874 4.120 0.000 0.000 0.247 374 V C 2.861 178.910 176.094 -0.075 0.000 1.051 374 V CA 2.137 64.391 62.300 -0.077 0.000 1.036 374 V CB -0.611 31.109 31.823 -0.173 0.000 0.654 374 V HN 0.395 nan 8.190 nan 0.000 0.451 375 Q N -0.173 119.574 119.800 -0.088 0.000 2.079 375 Q HA -0.259 4.081 4.340 0.000 0.000 0.200 375 Q C 2.354 178.332 176.000 -0.036 0.000 0.974 375 Q CA 1.931 57.694 55.803 -0.066 0.000 0.840 375 Q CB -0.197 28.495 28.738 -0.077 0.000 0.898 375 Q HN 0.630 nan 8.270 nan 0.000 0.430 376 K N 0.911 121.289 120.400 -0.037 0.000 2.026 376 K HA -0.166 4.154 4.320 0.000 0.000 0.208 376 K C 1.864 178.469 176.600 0.007 0.000 1.048 376 K CA 1.151 57.429 56.287 -0.015 0.000 0.929 376 K CB -0.203 32.285 32.500 -0.020 0.000 0.713 376 K HN 0.127 nan 8.250 nan 0.000 0.439 377 I N 0.535 121.108 120.570 0.005 0.000 2.286 377 I HA -0.217 3.954 4.170 0.000 0.000 0.248 377 I C 1.964 178.113 176.117 0.052 0.000 1.115 377 I CA 0.966 62.281 61.300 0.024 0.000 1.392 377 I CB 0.105 38.109 38.000 0.007 0.000 1.065 377 I HN 0.235 nan 8.210 nan 0.000 0.418 378 L N -0.421 120.820 121.223 0.029 0.000 2.179 378 L HA -0.168 4.172 4.340 0.000 0.000 0.208 378 L C 2.396 179.333 176.870 0.111 0.000 1.096 378 L CA 1.156 56.032 54.840 0.059 0.000 0.779 378 L CB -0.200 41.863 42.059 0.006 0.000 0.922 378 L HN 0.249 nan 8.230 nan 0.000 0.443 379 Q N -0.752 119.085 119.800 0.061 0.000 2.123 379 Q HA -0.195 4.146 4.340 0.000 0.000 0.199 379 Q C 1.681 177.714 176.000 0.055 0.000 0.966 379 Q CA 1.399 57.231 55.803 0.048 0.000 0.845 379 Q CB 0.149 28.899 28.738 0.020 0.000 0.907 379 Q HN 0.459 nan 8.270 nan 0.000 0.439 380 D N -0.784 119.654 120.400 0.063 0.000 2.183 380 D HA -0.151 4.489 4.640 0.000 0.000 0.203 380 D C 1.471 177.819 176.300 0.081 0.000 0.969 380 D CA 0.695 54.728 54.000 0.057 0.000 0.842 380 D CB 0.114 40.944 40.800 0.052 0.000 0.957 380 D HN 0.252 nan 8.370 nan 0.000 0.484 381 Y N 2.086 122.383 120.300 -0.005 0.000 2.181 381 Y HA -0.173 4.377 4.550 0.000 0.000 0.288 381 Y C 2.322 178.219 175.900 -0.004 0.000 1.146 381 Y CA 1.523 59.621 58.100 -0.003 0.000 1.164 381 Y CB -0.012 38.447 38.460 -0.002 0.000 0.982 381 Y HN -0.248 nan 8.280 nan 0.000 0.515 382 K N -0.153 120.257 120.400 0.017 0.000 2.097 382 K HA -0.160 4.160 4.320 0.000 0.000 0.206 382 K C 2.269 178.808 176.600 -0.102 0.000 1.049 382 K CA 1.656 57.907 56.287 -0.060 0.000 0.933 382 K CB -0.211 32.305 32.500 0.026 0.000 0.717 382 K HN 0.500 nan 8.250 nan 0.000 0.442 383 S N 0.417 116.078 115.700 -0.064 0.000 2.406 383 S HA -0.067 4.403 4.470 0.000 0.000 0.228 383 S C 1.925 176.475 174.600 -0.084 0.000 1.020 383 S CA 0.587 58.752 58.200 -0.058 0.000 0.965 383 S CB -0.371 62.812 63.200 -0.028 0.000 0.798 383 S HN 0.243 nan 8.310 nan 0.000 0.488 384 L N 1.052 122.208 121.223 -0.112 0.000 2.275 384 L HA -0.045 4.295 4.340 0.000 0.000 0.215 384 L C 2.932 179.700 176.870 -0.171 0.000 1.119 384 L CA 0.954 55.721 54.840 -0.122 0.000 0.790 384 L CB -0.519 41.476 42.059 -0.107 0.000 0.919 384 L HN 0.401 nan 8.230 nan 0.000 0.443 385 Q N -0.333 119.318 119.800 -0.249 0.000 2.181 385 Q HA -0.280 4.060 4.340 0.000 0.000 0.205 385 Q C 1.626 177.546 176.000 -0.133 0.000 0.980 385 Q CA 1.951 57.607 55.803 -0.245 0.000 0.862 385 Q CB -0.074 28.499 28.738 -0.276 0.000 0.905 385 Q HN 0.497 nan 8.270 nan 0.000 0.429 386 D N 0.090 120.431 120.400 -0.099 0.000 2.144 386 D HA -0.118 4.522 4.640 0.000 0.000 0.200 386 D C 1.483 177.750 176.300 -0.054 0.000 0.978 386 D CA 0.847 54.809 54.000 -0.064 0.000 0.833 386 D CB 0.117 40.887 40.800 -0.050 0.000 0.961 386 D HN 0.191 nan 8.370 nan 0.000 0.470 387 I N 0.330 120.866 120.570 -0.057 0.000 2.676 387 I HA -0.135 4.035 4.170 0.000 0.000 0.259 387 I C 1.846 177.937 176.117 -0.044 0.000 1.194 387 I CA 0.292 61.566 61.300 -0.043 0.000 1.473 387 I CB -0.017 37.960 38.000 -0.039 0.000 1.096 387 I HN 0.164 nan 8.210 nan 0.000 0.443 388 I N 0.928 121.460 120.570 -0.063 0.000 2.339 388 I HA -0.090 4.080 4.170 0.000 0.000 0.245 388 I C 2.807 178.898 176.117 -0.044 0.000 1.096 388 I CA 1.305 62.571 61.300 -0.057 0.000 1.408 388 I CB -1.074 36.874 38.000 -0.088 0.000 1.092 388 I HN 0.156 nan 8.210 nan 0.000 0.423 389 A N 1.095 123.885 122.820 -0.051 0.000 1.902 389 A HA -0.138 4.182 4.320 0.000 0.000 0.217 389 A C 2.064 179.633 177.584 -0.025 0.000 1.181 389 A CA 1.526 53.541 52.037 -0.038 0.000 0.623 389 A CB -0.294 18.681 19.000 -0.042 0.000 0.818 389 A HN 0.332 nan 8.150 nan 0.000 0.443 390 I N -1.285 119.270 120.570 -0.025 0.000 3.445 390 I HA 0.093 4.263 4.170 0.000 0.000 0.288 390 I C 2.213 178.321 176.117 -0.015 0.000 1.198 390 I CA 0.477 61.766 61.300 -0.018 0.000 1.417 390 I CB -1.245 36.744 38.000 -0.018 0.000 1.205 390 I HN 0.225 nan 8.210 nan 0.000 0.448 391 L N 0.779 121.991 121.223 -0.018 0.000 2.022 391 L HA 0.329 4.669 4.340 0.000 0.000 0.204 391 L C 0.978 177.841 176.870 -0.011 0.000 1.076 391 L CA 0.957 55.789 54.840 -0.014 0.000 0.749 391 L CB -0.602 41.448 42.059 -0.015 0.000 0.903 391 L HN 0.386 nan 8.230 nan 0.000 0.439 392 G N -1.484 107.308 108.800 -0.013 0.000 2.306 392 G HA2 -0.019 3.941 3.960 0.000 0.000 0.340 392 G HA3 -0.019 3.941 3.960 0.000 0.000 0.340 392 G C -0.352 174.544 174.900 -0.007 0.000 1.630 392 G CA -0.267 44.828 45.100 -0.009 0.000 0.937 392 G HN -0.008 nan 8.290 nan 0.000 0.693 393 M N 0.406 120.004 119.600 -0.004 0.000 2.319 393 M HA 0.079 4.559 4.480 0.000 0.000 0.265 393 M C 1.084 177.386 176.300 0.005 0.000 1.068 393 M CA 1.197 56.498 55.300 0.001 0.000 1.118 393 M CB 0.153 32.758 32.600 0.008 0.000 1.395 393 M HN 0.399 nan 8.290 nan 0.000 0.435 394 D N 0.935 121.337 120.400 0.004 0.000 2.663 394 D HA -0.041 4.599 4.640 0.000 0.000 0.243 394 D C 1.069 177.371 176.300 0.003 0.000 1.218 394 D CA 0.309 54.312 54.000 0.005 0.000 0.846 394 D CB 0.053 40.856 40.800 0.005 0.000 1.014 394 D HN 0.492 nan 8.370 nan 0.000 0.476 395 E N -0.378 119.823 120.200 0.002 0.000 2.406 395 E HA 0.019 4.369 4.350 0.000 0.000 0.204 395 E C 0.267 176.868 176.600 0.002 0.000 0.820 395 E CA -0.004 56.397 56.400 0.001 0.000 1.136 395 E CB 0.501 30.200 29.700 -0.002 0.000 1.129 395 E HN 0.149 nan 8.360 nan 0.000 0.530 396 L N 2.638 123.864 121.223 0.003 0.000 2.439 396 L HA 0.101 4.441 4.340 0.000 0.000 0.269 396 L C 1.053 177.929 176.870 0.009 0.000 1.179 396 L CA -0.083 54.761 54.840 0.005 0.000 0.828 396 L CB 0.975 43.038 42.059 0.006 0.000 1.106 396 L HN 0.059 nan 8.230 nan 0.000 0.467 397 S N 0.827 116.533 115.700 0.009 0.000 2.617 397 S HA 0.106 4.576 4.470 0.000 0.000 0.255 397 S C 0.919 175.527 174.600 0.014 0.000 1.318 397 S CA -0.501 57.705 58.200 0.011 0.000 0.978 397 S CB 0.538 63.743 63.200 0.009 0.000 0.961 397 S HN 0.608 nan 8.310 nan 0.000 0.582 398 E N 0.351 120.560 120.200 0.014 0.000 2.268 398 E HA -0.081 4.269 4.350 0.000 0.000 0.195 398 E C 1.654 178.266 176.600 0.019 0.000 0.995 398 E CA 0.852 57.262 56.400 0.017 0.000 0.836 398 E CB -0.290 29.419 29.700 0.015 0.000 0.763 398 E HN 0.807 nan 8.360 nan 0.000 0.491 399 E N 0.255 120.465 120.200 0.017 0.000 2.371 399 E HA -0.092 4.258 4.350 0.000 0.000 0.194 399 E C 0.744 177.358 176.600 0.023 0.000 1.012 399 E CA 0.355 56.766 56.400 0.019 0.000 0.860 399 E CB 0.353 30.062 29.700 0.016 0.000 0.811 399 E HN 0.216 nan 8.360 nan 0.000 0.502 400 D N 0.035 120.450 120.400 0.023 0.000 2.277 400 D HA -0.035 4.605 4.640 0.000 0.000 0.209 400 D C 1.523 177.846 176.300 0.038 0.000 0.970 400 D CA 0.375 54.392 54.000 0.029 0.000 0.874 400 D CB 0.114 40.926 40.800 0.020 0.000 0.982 400 D HN 0.021 nan 8.370 nan 0.000 0.504 401 K N 0.413 120.834 120.400 0.034 0.000 2.097 401 K HA -0.072 4.248 4.320 0.000 0.000 0.205 401 K C 2.041 178.667 176.600 0.043 0.000 1.050 401 K CA 0.360 56.671 56.287 0.039 0.000 0.938 401 K CB 0.029 32.548 32.500 0.032 0.000 0.718 401 K HN -0.053 nan 8.250 nan 0.000 0.442 402 L N 0.750 121.995 121.223 0.037 0.000 2.012 402 L HA -0.224 4.116 4.340 0.000 0.000 0.210 402 L C 2.486 179.378 176.870 0.037 0.000 1.073 402 L CA 2.061 56.921 54.840 0.034 0.000 0.748 402 L CB -0.983 41.093 42.059 0.028 0.000 0.891 402 L HN 0.345 nan 8.230 nan 0.000 0.431 403 T N -4.626 109.956 114.554 0.046 0.000 2.867 403 T HA -0.109 4.241 4.350 0.000 0.000 0.268 403 T C 1.889 176.644 174.700 0.091 0.000 1.057 403 T CA 1.129 63.263 62.100 0.057 0.000 1.136 403 T CB -0.767 68.138 68.868 0.061 0.000 0.874 403 T HN 0.095 nan 8.240 nan 0.000 0.466 404 V N 2.677 122.661 119.914 0.117 0.000 2.307 404 V HA -0.154 3.966 4.120 0.000 0.000 0.245 404 V C 3.173 179.330 176.094 0.106 0.000 1.045 404 V CA 2.101 64.520 62.300 0.198 0.000 1.024 404 V CB -0.807 31.117 31.823 0.168 0.000 0.651 404 V HN 0.759 nan 8.190 nan 0.000 0.449 405 S N -0.132 115.602 115.700 0.057 0.000 2.395 405 S HA -0.150 4.320 4.470 0.000 0.000 0.225 405 S C 2.055 176.640 174.600 -0.025 0.000 1.027 405 S CA 0.911 59.123 58.200 0.021 0.000 0.965 405 S CB -0.404 62.817 63.200 0.034 0.000 0.812 405 S HN 0.488 nan 8.310 nan 0.000 0.482 406 R N 1.466 121.951 120.500 -0.024 0.000 2.073 406 R HA 0.076 4.416 4.340 0.000 0.000 0.234 406 R C 2.705 178.942 176.300 -0.105 0.000 1.134 406 R CA 1.461 57.526 56.100 -0.058 0.000 0.952 406 R CB -0.731 29.554 30.300 -0.025 0.000 0.850 406 R HN 0.566 nan 8.270 nan 0.000 0.433 407 A N 0.577 123.327 122.820 -0.116 0.000 1.969 407 A HA -0.122 4.198 4.320 0.000 0.000 0.218 407 A C 2.018 179.405 177.584 -0.328 0.000 1.169 407 A CA 1.081 52.995 52.037 -0.205 0.000 0.635 407 A CB -0.261 18.601 19.000 -0.229 0.000 0.810 407 A HN 0.201 nan 8.150 nan 0.000 0.445 408 R N -0.457 119.842 120.500 -0.336 0.000 2.115 408 R HA -0.035 4.305 4.340 0.000 0.000 0.226 408 R C 2.005 178.227 176.300 -0.130 0.000 1.100 408 R CA 1.455 57.387 56.100 -0.279 0.000 0.980 408 R CB -0.138 30.063 30.300 -0.164 0.000 0.875 408 R HN 0.469 nan 8.270 nan 0.000 0.445 409 K N 0.165 120.488 120.400 -0.128 0.000 2.155 409 K HA -0.023 4.297 4.320 0.000 0.000 0.203 409 K C 1.880 178.312 176.600 -0.280 0.000 1.052 409 K CA 0.909 57.091 56.287 -0.175 0.000 0.948 409 K CB 0.060 32.370 32.500 -0.315 0.000 0.728 409 K HN 0.102 nan 8.250 nan 0.000 0.448 410 I N 1.345 121.808 120.570 -0.178 0.000 2.252 410 I HA -0.305 3.865 4.170 0.000 0.000 0.245 410 I C 2.376 178.594 176.117 0.167 0.000 1.102 410 I CA 1.309 62.635 61.300 0.044 0.000 1.385 410 I CB -0.113 37.947 38.000 0.100 0.000 1.064 410 I HN 0.213 nan 8.210 nan 0.000 0.414 411 Q N 0.174 119.991 119.800 0.029 0.000 2.112 411 Q HA -0.271 4.069 4.340 0.000 0.000 0.206 411 Q C 2.368 178.445 176.000 0.128 0.000 0.987 411 Q CA 1.730 57.557 55.803 0.039 0.000 0.858 411 Q CB -0.116 28.587 28.738 -0.059 0.000 0.905 411 Q HN 0.358 nan 8.270 nan 0.000 0.420 412 R N -0.495 120.096 120.500 0.153 0.000 2.092 412 R HA -0.091 4.249 4.340 0.000 0.000 0.231 412 R C 1.815 178.331 176.300 0.361 0.000 1.119 412 R CA 0.907 57.178 56.100 0.285 0.000 0.970 412 R CB -0.292 30.186 30.300 0.297 0.000 0.864 412 R HN 0.177 nan 8.270 nan 0.000 0.440 413 F N 0.496 120.496 119.950 0.084 0.000 2.451 413 F HA 0.030 4.557 4.527 0.000 0.000 0.299 413 F C 1.324 177.221 175.800 0.161 0.000 1.101 413 F CA 0.825 58.821 58.000 -0.006 0.000 1.436 413 F CB -0.045 38.682 39.000 -0.455 0.000 1.074 413 F HN -0.047 nan 8.300 nan 0.000 0.553 414 L N -0.473 120.924 121.223 0.290 0.000 2.291 414 L HA -0.053 4.287 4.340 0.000 0.000 0.214 414 L C 1.463 178.374 176.870 0.070 0.000 1.120 414 L CA 0.498 55.451 54.840 0.187 0.000 0.799 414 L CB -0.747 41.388 42.059 0.127 0.000 0.925 414 L HN 0.084 nan 8.230 nan 0.000 0.446 415 S N -0.368 115.384 115.700 0.086 0.000 2.585 415 S HA 0.289 4.759 4.470 0.000 0.000 0.273 415 S C -0.333 174.225 174.600 -0.069 0.000 1.339 415 S CA -0.477 57.725 58.200 0.004 0.000 1.028 415 S CB 1.724 64.949 63.200 0.041 0.000 0.906 415 S HN 0.272 nan 8.310 nan 0.000 0.528 416 Q N 0.868 120.570 119.800 -0.162 0.000 2.353 416 Q HA 0.445 4.786 4.340 0.000 0.000 0.275 416 Q C -3.029 172.828 176.000 -0.238 0.000 1.029 416 Q CA -2.201 53.520 55.803 -0.137 0.000 0.848 416 Q CB 2.443 31.182 28.738 0.001 0.000 1.390 416 Q HN 0.549 nan 8.270 nan 0.000 0.401 417 P HA 0.161 nan 4.420 nan 0.000 0.282 417 P C -1.021 176.382 177.300 0.172 0.000 1.274 417 P CA 0.308 63.386 63.100 -0.038 0.000 0.770 417 P CB 0.180 31.901 31.700 0.036 0.000 0.867 418 F N 1.474 121.425 119.950 0.003 0.000 2.377 418 F HA 0.188 4.715 4.527 0.000 0.000 0.328 418 F C 2.139 177.943 175.800 0.005 0.000 1.094 418 F CA -0.853 57.151 58.000 0.005 0.000 1.093 418 F CB 1.518 40.521 39.000 0.005 0.000 1.214 418 F HN 0.328 nan 8.300 nan 0.000 0.518 419 Q N 1.278 121.177 119.800 0.165 0.000 2.297 419 Q HA -0.085 4.255 4.340 0.000 0.000 0.204 419 Q C 1.781 177.812 176.000 0.052 0.000 0.962 419 Q CA 1.231 57.077 55.803 0.072 0.000 0.879 419 Q CB 0.155 28.902 28.738 0.015 0.000 0.947 419 Q HN 0.709 nan 8.270 nan 0.000 0.462 420 V N -2.975 116.973 119.914 0.056 0.000 2.951 420 V HA 0.199 4.319 4.120 0.000 0.000 0.255 420 V C 1.599 177.709 176.094 0.027 0.000 1.088 420 V CA 1.104 63.413 62.300 0.015 0.000 1.109 420 V CB -0.454 31.357 31.823 -0.021 0.000 0.724 420 V HN 0.196 nan 8.190 nan 0.000 0.471 421 A N -0.207 122.672 122.820 0.098 0.000 2.532 421 A HA 0.316 4.636 4.320 0.000 0.000 0.273 421 A C 1.783 179.433 177.584 0.111 0.000 1.342 421 A CA 0.311 52.403 52.037 0.092 0.000 0.929 421 A CB -0.455 18.596 19.000 0.085 0.000 1.051 421 A HN 0.579 nan 8.150 nan 0.000 0.521 422 E N -0.331 119.923 120.200 0.089 0.000 2.072 422 E HA -0.091 4.259 4.350 0.000 0.000 0.190 422 E C 1.124 177.780 176.600 0.094 0.000 0.982 422 E CA 1.457 57.907 56.400 0.084 0.000 0.803 422 E CB 0.090 29.824 29.700 0.057 0.000 0.755 422 E HN 0.524 nan 8.360 nan 0.000 0.453 423 V N -0.772 119.200 119.914 0.096 0.000 3.164 423 V HA 0.205 4.325 4.120 0.000 0.000 0.388 423 V C 0.311 176.576 176.094 0.285 0.000 1.279 423 V CA 0.204 62.578 62.300 0.124 0.000 1.426 423 V CB -0.370 31.496 31.823 0.072 0.000 1.330 423 V HN 0.144 nan 8.190 nan 0.000 0.511 424 F N 0.855 120.797 119.950 -0.013 0.000 2.637 424 F HA 0.163 4.690 4.527 0.000 0.000 0.342 424 F C 2.004 177.788 175.800 -0.027 0.000 0.822 424 F CA 1.116 59.101 58.000 -0.026 0.000 1.046 424 F CB 0.464 39.440 39.000 -0.040 0.000 0.921 424 F HN 0.310 nan 8.300 nan 0.000 0.649 425 T N -3.711 110.910 114.554 0.111 0.000 2.975 425 T HA 0.492 4.842 4.350 0.000 0.000 0.257 425 T C 1.696 176.448 174.700 0.088 0.000 1.003 425 T CA 0.768 62.889 62.100 0.034 0.000 0.932 425 T CB 0.826 69.692 68.868 -0.003 0.000 1.087 425 T HN 0.552 nan 8.240 nan 0.000 0.512 426 G N 1.393 110.252 108.800 0.098 0.000 2.454 426 G HA2 -0.266 3.694 3.960 0.000 0.000 0.225 426 G HA3 -0.266 3.694 3.960 0.000 0.000 0.225 426 G C 0.010 174.965 174.900 0.091 0.000 1.138 426 G CA 0.053 45.205 45.100 0.086 0.000 0.667 426 G HN 0.751 nan 8.290 nan 0.000 0.512 427 H N 1.138 120.205 119.070 -0.005 0.000 2.948 427 H HA 0.428 4.984 4.556 0.000 0.000 0.351 427 H C 0.890 176.221 175.328 0.005 0.000 1.079 427 H CA 0.081 56.124 56.048 -0.009 0.000 1.407 427 H CB 0.523 30.267 29.762 -0.030 0.000 1.373 427 H HN 0.264 nan 8.280 nan 0.000 0.605 428 L N 2.307 123.566 121.223 0.061 0.000 2.397 428 L HA 0.246 4.586 4.340 0.000 0.000 0.271 428 L C 0.922 177.842 176.870 0.084 0.000 1.148 428 L CA 0.199 55.069 54.840 0.050 0.000 0.825 428 L CB 0.507 42.573 42.059 0.011 0.000 1.117 428 L HN 0.794 nan 8.230 nan 0.000 0.456 429 G N 4.667 113.515 108.800 0.080 0.000 2.390 429 G HA2 0.313 4.273 3.960 0.000 0.000 0.270 429 G HA3 0.313 4.273 3.960 0.000 0.000 0.270 429 G C -0.440 174.511 174.900 0.085 0.000 1.211 429 G CA -0.498 44.664 45.100 0.105 0.000 0.842 429 G HN 0.552 nan 8.290 nan 0.000 0.519 430 K N 1.441 121.906 120.400 0.108 0.000 2.270 430 K HA 0.367 4.687 4.320 0.000 0.000 0.255 430 K C -1.288 175.356 176.600 0.073 0.000 0.936 430 K CA -0.975 55.359 56.287 0.079 0.000 0.809 430 K CB 2.720 35.266 32.500 0.076 0.000 1.131 430 K HN 0.337 nan 8.250 nan 0.000 0.427 431 L N 2.954 124.198 121.223 0.034 0.000 2.324 431 L HA 0.262 4.602 4.340 0.000 0.000 0.274 431 L C -1.187 175.689 176.870 0.010 0.000 1.012 431 L CA -0.617 54.230 54.840 0.011 0.000 0.859 431 L CB 1.296 43.344 42.059 -0.018 0.000 1.224 431 L HN 0.275 nan 8.230 nan 0.000 0.429 432 V N 6.911 126.835 119.914 0.016 0.000 2.432 432 V HA 0.417 4.537 4.120 0.000 0.000 0.271 432 V C -1.783 174.316 176.094 0.008 0.000 1.046 432 V CA -1.318 60.991 62.300 0.014 0.000 0.945 432 V CB 0.547 32.374 31.823 0.006 0.000 0.992 432 V HN 0.669 nan 8.190 nan 0.000 0.471 433 P HA 0.100 nan 4.420 nan 0.000 0.271 433 P C 0.792 178.106 177.300 0.023 0.000 1.233 433 P CA -0.457 62.650 63.100 0.012 0.000 0.789 433 P CB 0.688 32.395 31.700 0.011 0.000 0.951 434 L N 1.747 122.991 121.223 0.034 0.000 2.046 434 L HA -0.172 4.168 4.340 0.000 0.000 0.208 434 L C 1.970 178.852 176.870 0.020 0.000 1.077 434 L CA 2.027 56.889 54.840 0.036 0.000 0.747 434 L CB -0.793 41.310 42.059 0.073 0.000 0.896 434 L HN 0.249 nan 8.230 nan 0.000 0.432 435 K N -0.791 119.628 120.400 0.032 0.000 2.057 435 K HA -0.147 4.173 4.320 0.000 0.000 0.207 435 K C 2.007 178.633 176.600 0.043 0.000 1.049 435 K CA 1.449 57.757 56.287 0.034 0.000 0.931 435 K CB -0.099 32.424 32.500 0.038 0.000 0.714 435 K HN 0.305 nan 8.250 nan 0.000 0.440 436 E N 0.039 120.268 120.200 0.047 0.000 2.152 436 E HA -0.083 4.267 4.350 0.000 0.000 0.192 436 E C 1.985 178.635 176.600 0.084 0.000 0.983 436 E CA 1.024 57.465 56.400 0.067 0.000 0.818 436 E CB -0.042 29.695 29.700 0.061 0.000 0.758 436 E HN 0.279 nan 8.360 nan 0.000 0.467 437 T N 1.562 116.150 114.554 0.057 0.000 2.708 437 T HA -0.081 4.269 4.350 0.000 0.000 0.266 437 T C 2.132 176.926 174.700 0.156 0.000 1.037 437 T CA 0.922 63.067 62.100 0.075 0.000 1.146 437 T CB -0.144 68.736 68.868 0.021 0.000 0.865 437 T HN 0.095 nan 8.240 nan 0.000 0.435 438 I N 0.485 121.084 120.570 0.049 0.000 2.202 438 I HA -0.121 4.049 4.170 0.000 0.000 0.242 438 I C 2.679 178.862 176.117 0.110 0.000 1.091 438 I CA 1.248 62.559 61.300 0.019 0.000 1.368 438 I CB -0.269 37.675 38.000 -0.093 0.000 1.058 438 I HN 0.108 nan 8.210 nan 0.000 0.410 439 K N 0.837 121.297 120.400 0.100 0.000 2.057 439 K HA -0.146 4.174 4.320 0.000 0.000 0.207 439 K C 2.151 178.833 176.600 0.137 0.000 1.049 439 K CA 1.478 57.829 56.287 0.107 0.000 0.931 439 K CB -0.421 32.133 32.500 0.090 0.000 0.714 439 K HN 0.445 nan 8.250 nan 0.000 0.440 440 G N 0.458 109.359 108.800 0.168 0.000 2.459 440 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 440 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 440 G C 1.287 176.226 174.900 0.065 0.000 1.183 440 G CA 0.761 45.950 45.100 0.148 0.000 0.776 440 G HN 0.225 nan 8.290 nan 0.000 0.552 441 F N 0.651 120.725 119.950 0.207 0.000 2.293 441 F HA 0.009 4.536 4.527 0.000 0.000 0.300 441 F C 2.890 178.712 175.800 0.037 0.000 1.086 441 F CA 1.455 59.519 58.000 0.105 0.000 1.375 441 F CB -0.069 38.961 39.000 0.050 0.000 1.045 441 F HN 0.191 nan 8.300 nan 0.000 0.516 442 Q N 0.252 120.178 119.800 0.209 0.000 2.119 442 Q HA -0.235 4.105 4.340 0.000 0.000 0.201 442 Q C 2.075 178.137 176.000 0.103 0.000 0.972 442 Q CA 1.487 57.365 55.803 0.125 0.000 0.847 442 Q CB -0.065 28.732 28.738 0.099 0.000 0.903 442 Q HN 0.470 nan 8.270 nan 0.000 0.433 443 Q N -0.035 119.836 119.800 0.118 0.000 2.119 443 Q HA -0.118 4.222 4.340 0.000 0.000 0.201 443 Q C 2.012 178.103 176.000 0.151 0.000 0.972 443 Q CA 1.431 57.324 55.803 0.150 0.000 0.847 443 Q CB 0.022 28.922 28.738 0.271 0.000 0.903 443 Q HN 0.457 nan 8.270 nan 0.000 0.433 444 I N 0.218 120.836 120.570 0.080 0.000 2.394 444 I HA -0.265 3.905 4.170 0.000 0.000 0.251 444 I C 1.923 178.050 176.117 0.016 0.000 1.136 444 I CA 0.909 62.209 61.300 -0.000 0.000 1.425 444 I CB -0.122 37.743 38.000 -0.225 0.000 1.079 444 I HN 0.177 nan 8.210 nan 0.000 0.425 445 L N 0.367 121.615 121.223 0.042 0.000 2.201 445 L HA -0.145 4.195 4.340 0.000 0.000 0.212 445 L C 2.697 179.586 176.870 0.032 0.000 1.105 445 L CA 1.108 55.970 54.840 0.037 0.000 0.775 445 L CB -0.460 41.628 42.059 0.048 0.000 0.913 445 L HN 0.246 nan 8.230 nan 0.000 0.440 446 A N -0.843 122.000 122.820 0.039 0.000 1.930 446 A HA 0.191 4.511 4.320 0.000 0.000 0.215 446 A C 1.748 179.345 177.584 0.022 0.000 1.176 446 A CA 1.186 53.240 52.037 0.029 0.000 0.632 446 A CB -0.317 18.700 19.000 0.028 0.000 0.819 446 A HN 0.485 nan 8.150 nan 0.000 0.445 447 G N -1.269 107.547 108.800 0.026 0.000 2.148 447 G HA2 -0.160 3.800 3.960 0.000 0.000 0.157 447 G HA3 -0.160 3.800 3.960 0.000 0.000 0.157 447 G C 0.392 175.296 174.900 0.008 0.000 1.012 447 G CA 0.545 45.658 45.100 0.023 0.000 0.677 447 G HN 0.439 nan 8.290 nan 0.000 0.506 448 E N -0.966 119.217 120.200 -0.028 0.000 2.152 448 E HA 0.041 4.391 4.350 0.000 0.000 0.192 448 E C 0.822 177.235 176.600 -0.312 0.000 0.983 448 E CA 0.854 57.149 56.400 -0.175 0.000 0.818 448 E CB -0.015 29.515 29.700 -0.282 0.000 0.758 448 E HN 0.704 nan 8.360 nan 0.000 0.467 449 Y N -0.281 120.000 120.300 -0.030 0.000 2.751 449 Y HA 0.127 4.677 4.550 0.000 0.000 0.289 449 Y C 0.652 176.463 175.900 -0.149 0.000 1.110 449 Y CA -0.468 57.544 58.100 -0.146 0.000 1.251 449 Y CB 0.494 38.959 38.460 0.007 0.000 1.178 449 Y HN -0.059 nan 8.280 nan 0.000 0.540 450 D N -0.305 120.107 120.400 0.019 0.000 2.178 450 D HA -0.188 4.452 4.640 0.000 0.000 0.202 450 D C 2.231 178.555 176.300 0.040 0.000 0.974 450 D CA 1.497 55.522 54.000 0.041 0.000 0.841 450 D CB -0.053 40.783 40.800 0.060 0.000 0.953 450 D HN 0.579 nan 8.370 nan 0.000 0.478 451 H N -0.377 118.729 119.070 0.060 0.000 2.462 451 H HA 0.032 4.588 4.556 0.000 0.000 0.292 451 H C 0.898 176.262 175.328 0.061 0.000 1.049 451 H CA 0.199 56.272 56.048 0.043 0.000 1.334 451 H CB -0.477 29.292 29.762 0.013 0.000 1.404 451 H HN 0.139 nan 8.280 nan 0.000 0.544 452 L N 3.364 124.375 121.223 -0.353 0.000 2.461 452 L HA 0.154 4.494 4.340 0.000 0.000 0.272 452 L C -1.734 175.117 176.870 -0.032 0.000 1.197 452 L CA -1.658 53.079 54.840 -0.172 0.000 0.836 452 L CB 0.696 42.629 42.059 -0.210 0.000 1.105 452 L HN 0.166 nan 8.230 nan 0.000 0.477 453 P HA 0.043 nan 4.420 nan 0.000 0.274 453 P C 0.193 177.491 177.300 -0.003 0.000 1.231 453 P CA -0.292 62.799 63.100 -0.015 0.000 0.790 453 P CB 0.895 32.576 31.700 -0.031 0.000 0.951 454 E N 0.835 121.062 120.200 0.046 0.000 2.097 454 E HA -0.205 4.145 4.350 0.000 0.000 0.196 454 E C 0.909 177.560 176.600 0.086 0.000 1.000 454 E CA 1.216 57.673 56.400 0.096 0.000 0.804 454 E CB 0.118 29.850 29.700 0.055 0.000 0.740 454 E HN 0.422 nan 8.360 nan 0.000 0.454 455 Q N -0.961 118.848 119.800 0.015 0.000 2.259 455 Q HA 0.107 4.447 4.340 0.000 0.000 0.228 455 Q C 0.727 176.715 176.000 -0.021 0.000 0.909 455 Q CA 0.143 55.957 55.803 0.019 0.000 0.948 455 Q CB 0.901 29.642 28.738 0.006 0.000 1.041 455 Q HN 0.227 nan 8.270 nan 0.000 0.445 456 A N -0.937 121.783 122.820 -0.166 0.000 1.973 456 A HA 0.100 4.420 4.320 0.000 0.000 0.210 456 A C 1.331 178.690 177.584 -0.375 0.000 1.200 456 A CA 0.142 51.959 52.037 -0.368 0.000 0.707 456 A CB -0.129 18.471 19.000 -0.668 0.000 0.862 456 A HN 0.288 nan 8.150 nan 0.000 0.461 457 F N -1.708 118.212 119.950 -0.051 0.000 2.615 457 F HA 0.129 4.656 4.527 0.000 0.000 0.297 457 F C 0.837 176.722 175.800 0.142 0.000 1.124 457 F CA -0.093 57.880 58.000 -0.045 0.000 1.451 457 F CB -0.323 38.587 39.000 -0.150 0.000 1.103 457 F HN 0.258 nan 8.300 nan 0.000 0.569 458 Y N 2.606 122.992 120.300 0.143 0.000 2.544 458 Y HA 0.131 4.681 4.550 0.000 0.000 0.330 458 Y C 0.692 176.628 175.900 0.060 0.000 1.136 458 Y CA -1.279 56.878 58.100 0.096 0.000 1.417 458 Y CB 0.007 38.497 38.460 0.049 0.000 1.229 458 Y HN 0.068 nan 8.280 nan 0.000 0.532 459 M N 5.763 125.133 119.600 -0.383 0.000 2.350 459 M HA -0.164 4.316 4.480 0.000 0.000 0.190 459 M C -1.077 175.174 176.300 -0.082 0.000 0.710 459 M CA 0.873 55.955 55.300 -0.362 0.000 0.495 459 M CB -2.872 29.334 32.600 -0.657 0.000 1.136 459 M HN 0.391 nan 8.290 nan 0.000 0.901 460 V N -2.920 117.015 119.914 0.036 0.000 3.102 460 V HA 1.061 5.181 4.120 0.000 0.000 0.312 460 V C 0.840 177.007 176.094 0.123 0.000 1.135 460 V CA -0.145 62.213 62.300 0.097 0.000 1.022 460 V CB 1.592 33.481 31.823 0.109 0.000 1.056 460 V HN 0.446 nan 8.190 nan 0.000 0.436 461 G N 0.862 109.730 108.800 0.113 0.000 2.620 461 G HA2 0.397 4.357 3.960 0.000 0.000 0.200 461 G HA3 0.397 4.357 3.960 0.000 0.000 0.200 461 G C -2.177 172.814 174.900 0.152 0.000 1.710 461 G CA 0.095 45.254 45.100 0.098 0.000 0.919 461 G HN 0.703 nan 8.290 nan 0.000 0.455 462 P HA 0.268 nan 4.420 nan 0.000 0.289 462 P C 0.655 178.104 177.300 0.249 0.000 1.299 462 P CA -0.726 62.493 63.100 0.199 0.000 0.766 462 P CB 0.940 32.704 31.700 0.108 0.000 1.226 463 I N -0.045 120.623 120.570 0.163 0.000 3.001 463 I HA -0.154 4.016 4.170 0.000 0.000 0.268 463 I C 1.679 177.723 176.117 -0.123 0.000 1.267 463 I CA 1.138 62.341 61.300 -0.162 0.000 1.472 463 I CB -0.413 37.427 38.000 -0.266 0.000 1.089 463 I HN 0.199 nan 8.210 nan 0.000 0.468 464 E N 0.059 120.255 120.200 -0.007 0.000 2.107 464 E HA -0.193 4.157 4.350 0.000 0.000 0.191 464 E C 1.631 178.218 176.600 -0.021 0.000 0.982 464 E CA 0.720 57.123 56.400 0.005 0.000 0.809 464 E CB -0.358 29.360 29.700 0.030 0.000 0.756 464 E HN 0.438 nan 8.360 nan 0.000 0.459 465 E N 0.999 121.192 120.200 -0.011 0.000 2.338 465 E HA -0.001 4.349 4.350 0.000 0.000 0.197 465 E C 1.705 178.253 176.600 -0.086 0.000 1.007 465 E CA 0.805 57.193 56.400 -0.019 0.000 0.849 465 E CB -0.267 29.449 29.700 0.027 0.000 0.774 465 E HN 0.315 nan 8.360 nan 0.000 0.506 466 A N -0.027 122.688 122.820 -0.175 0.000 2.119 466 A HA -0.000 4.320 4.320 0.000 0.000 0.216 466 A C 2.284 179.675 177.584 -0.323 0.000 1.152 466 A CA 0.520 52.329 52.037 -0.380 0.000 0.708 466 A CB 0.046 18.659 19.000 -0.646 0.000 0.805 466 A HN 0.134 nan 8.150 nan 0.000 0.460 467 V N -0.611 119.208 119.914 -0.158 0.000 2.379 467 V HA -0.084 4.037 4.120 0.000 0.000 0.243 467 V C 2.980 179.040 176.094 -0.057 0.000 1.035 467 V CA 1.580 63.843 62.300 -0.062 0.000 1.035 467 V CB -0.830 31.005 31.823 0.020 0.000 0.673 467 V HN 0.532 nan 8.190 nan 0.000 0.457 468 A N -0.525 122.265 122.820 -0.050 0.000 1.972 468 A HA -0.236 4.084 4.320 0.000 0.000 0.219 468 A C 2.286 179.841 177.584 -0.048 0.000 1.169 468 A CA 2.026 54.041 52.037 -0.037 0.000 0.635 468 A CB -0.401 18.583 19.000 -0.026 0.000 0.810 468 A HN 0.462 nan 8.150 nan 0.000 0.446 469 K N -0.766 119.590 120.400 -0.073 0.000 2.228 469 K HA 0.132 4.452 4.320 0.000 0.000 0.202 469 K C 1.799 178.346 176.600 -0.088 0.000 1.051 469 K CA 0.752 56.997 56.287 -0.071 0.000 0.960 469 K CB -0.116 32.338 32.500 -0.077 0.000 0.743 469 K HN 0.406 nan 8.250 nan 0.000 0.458 470 A N 0.578 123.326 122.820 -0.120 0.000 2.178 470 A HA -0.031 4.289 4.320 0.000 0.000 0.211 470 A C 1.166 178.722 177.584 -0.048 0.000 1.157 470 A CA 0.844 52.818 52.037 -0.106 0.000 0.780 470 A CB 0.073 18.983 19.000 -0.151 0.000 0.828 470 A HN 0.177 nan 8.150 nan 0.000 0.476 471 D N -0.463 119.915 120.400 -0.037 0.000 2.259 471 D HA -0.002 4.638 4.640 0.000 0.000 0.216 471 D C 1.774 178.064 176.300 -0.017 0.000 0.961 471 D CA 0.873 54.863 54.000 -0.018 0.000 0.878 471 D CB -0.040 40.753 40.800 -0.012 0.000 1.009 471 D HN 0.351 nan 8.370 nan 0.000 0.490 472 K N 0.159 120.546 120.400 -0.022 0.000 2.280 472 K HA 0.020 4.340 4.320 0.000 0.000 0.202 472 K C 0.641 177.234 176.600 -0.013 0.000 1.047 472 K CA 0.458 56.735 56.287 -0.017 0.000 0.942 472 K CB 0.034 32.524 32.500 -0.018 0.000 0.739 472 K HN 0.042 nan 8.250 nan 0.000 0.457 473 L N 1.569 122.782 121.223 -0.016 0.000 2.719 473 L HA 0.255 4.595 4.340 0.000 0.000 0.236 473 L C 0.198 177.063 176.870 -0.009 0.000 1.285 473 L CA -0.854 53.980 54.840 -0.011 0.000 1.222 473 L CB 0.063 42.113 42.059 -0.015 0.000 1.493 473 L HN 0.124 nan 8.230 nan 0.000 0.415 474 A N 0.000 122.816 122.820 -0.006 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 474 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486