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 1so2_1_C DATA FIRST_RESID 659 DATA SEQUENCE LDLILVEEYD SLIEKMSNWN FPIFELVEKM GEKSGRILSQ VMYTLFQDTG DATA SEQUENCE LLEIFKIPTQ QFMNYFRALE NGYRDIPYHN RIHATDVLHA VWYLTTRPVP DATA SEQUENCE GLQQIHNGCX XXXXXDSDGR INHGRIAYIS SKSCSNPDES YGCLSSNIPA DATA SEQUENCE LELMALYVAA AMHDYDHPGR TNAFLVATNA PQAVLYNDRS VLENHHAASA DATA SEQUENCE WNLYLSRPEY NFLLHLDHVE FKRFRFLVIE AILATDLKKH FDFLAEFNAK DATA SEQUENCE ANDVNSNGIE WSNENDRLLV CQVCIKLADI NGPAKVRDLH LKWTEGIVNE DATA SEQUENCE FYEQGDEEAN LGLPISPFMD RSSPQLAKLQ ESFITHIVGP LCNSYDAAGL DATA SEQUENCE LPGQWLEXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXSRRRIF DATA SEQUENCE CQLMHHLTEN HKIWK 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 659 L HA 0.000 nan 4.340 nan 0.000 0.249 659 L C 0.000 176.832 176.870 -0.063 0.000 1.165 659 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 659 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 660 D N -2.171 118.194 120.400 -0.057 0.000 3.360 660 D HA 0.639 5.279 4.640 0.001 0.000 0.383 660 D C 0.473 176.751 176.300 -0.037 0.000 1.046 660 D CA 0.700 54.651 54.000 -0.083 0.000 0.932 660 D CB -1.435 39.272 40.800 -0.156 0.000 1.778 660 D HN 2.532 nan 8.370 nan 0.000 0.293 661 L N -0.282 120.929 121.223 -0.020 0.000 2.514 661 L HA 0.772 5.113 4.340 0.001 0.000 0.280 661 L C 2.862 179.737 176.870 0.009 0.000 1.223 661 L CA 0.920 55.757 54.840 -0.004 0.000 0.864 661 L CB -1.046 41.012 42.059 -0.002 0.000 1.118 661 L HN 2.087 nan 8.230 nan 0.000 0.494 662 I N 0.525 121.105 120.570 0.017 0.000 5.931 662 I HA -0.245 3.925 4.170 0.001 0.000 0.199 662 I C 1.546 177.692 176.117 0.048 0.000 1.808 662 I CA 1.610 62.927 61.300 0.029 0.000 2.065 662 I CB -2.501 35.513 38.000 0.024 0.000 3.387 662 I HN 1.604 nan 8.210 nan 0.000 0.216 663 L N 0.103 121.358 121.223 0.053 0.000 2.450 663 L HA -0.002 4.338 4.340 0.001 0.000 0.224 663 L C 2.381 179.337 176.870 0.142 0.000 1.149 663 L CA 2.546 57.447 54.840 0.101 0.000 0.816 663 L CB -0.678 41.439 42.059 0.095 0.000 0.932 663 L HN 0.602 nan 8.230 nan 0.000 0.449 664 V N -0.625 119.345 119.914 0.093 0.000 2.295 664 V HA -0.280 3.840 4.120 0.001 0.000 0.246 664 V C 2.393 178.562 176.094 0.126 0.000 1.049 664 V CA 1.920 64.272 62.300 0.087 0.000 1.024 664 V CB -0.427 31.424 31.823 0.047 0.000 0.648 664 V HN 0.470 nan 8.190 nan 0.000 0.447 665 E N -0.121 120.136 120.200 0.094 0.000 2.028 665 E HA -0.195 4.156 4.350 0.001 0.000 0.191 665 E C 2.242 178.897 176.600 0.092 0.000 0.988 665 E CA 1.350 57.799 56.400 0.082 0.000 0.799 665 E CB -0.179 29.553 29.700 0.054 0.000 0.755 665 E HN 0.668 nan 8.360 nan 0.000 0.447 666 E N 0.353 120.609 120.200 0.093 0.000 2.048 666 E HA -0.288 4.062 4.350 0.001 0.000 0.202 666 E C 2.019 178.672 176.600 0.089 0.000 1.021 666 E CA 1.617 58.066 56.400 0.082 0.000 0.825 666 E CB -0.433 29.319 29.700 0.087 0.000 0.756 666 E HN 0.301 nan 8.360 nan 0.000 0.454 667 Y N 2.217 122.538 120.300 0.034 0.000 2.139 667 Y HA -0.311 4.239 4.550 0.001 0.000 0.282 667 Y C 1.709 177.610 175.900 0.001 0.000 1.179 667 Y CA 2.216 60.327 58.100 0.018 0.000 1.161 667 Y CB -0.129 38.352 38.460 0.034 0.000 0.970 667 Y HN 0.014 nan 8.280 nan 0.000 0.511 668 D N -0.892 119.576 120.400 0.113 0.000 2.084 668 D HA -0.186 4.455 4.640 0.001 0.000 0.196 668 D C 2.540 178.817 176.300 -0.039 0.000 0.985 668 D CA 1.833 55.858 54.000 0.041 0.000 0.826 668 D CB -0.694 40.168 40.800 0.103 0.000 0.978 668 D HN 0.413 nan 8.370 nan 0.000 0.456 669 S N -0.098 115.596 115.700 -0.010 0.000 2.383 669 S HA -0.097 4.373 4.470 0.001 0.000 0.227 669 S C 2.049 176.624 174.600 -0.041 0.000 1.026 669 S CA 0.510 58.705 58.200 -0.009 0.000 0.981 669 S CB -0.448 62.760 63.200 0.013 0.000 0.818 669 S HN 0.291 nan 8.310 nan 0.000 0.472 670 L N 0.176 121.347 121.223 -0.088 0.000 1.994 670 L HA 0.012 4.353 4.340 0.001 0.000 0.208 670 L C 2.519 179.241 176.870 -0.246 0.000 1.071 670 L CA 1.660 56.415 54.840 -0.141 0.000 0.745 670 L CB -0.432 41.530 42.059 -0.161 0.000 0.892 670 L HN 0.387 nan 8.230 nan 0.000 0.431 671 I N -0.018 120.338 120.570 -0.356 0.000 2.361 671 I HA -0.283 3.887 4.170 0.001 0.000 0.251 671 I C 2.461 178.495 176.117 -0.140 0.000 1.133 671 I CA 1.405 62.489 61.300 -0.360 0.000 1.413 671 I CB -0.400 37.270 38.000 -0.550 0.000 1.073 671 I HN 0.377 nan 8.210 nan 0.000 0.424 672 E N 0.619 120.767 120.200 -0.087 0.000 2.047 672 E HA -0.250 4.100 4.350 0.001 0.000 0.191 672 E C 2.176 178.811 176.600 0.057 0.000 0.987 672 E CA 1.304 57.707 56.400 0.007 0.000 0.799 672 E CB 0.016 29.725 29.700 0.015 0.000 0.752 672 E HN 0.503 nan 8.360 nan 0.000 0.449 673 K N -0.082 120.350 120.400 0.053 0.000 2.057 673 K HA -0.087 4.234 4.320 0.001 0.000 0.207 673 K C 2.240 178.963 176.600 0.205 0.000 1.049 673 K CA 1.670 58.059 56.287 0.171 0.000 0.931 673 K CB -0.140 32.518 32.500 0.263 0.000 0.714 673 K HN 0.183 nan 8.250 nan 0.000 0.440 674 M N 0.425 119.952 119.600 -0.122 0.000 2.476 674 M HA -0.053 4.428 4.480 0.001 0.000 0.262 674 M C 1.636 178.167 176.300 0.384 0.000 1.079 674 M CA 0.918 56.086 55.300 -0.220 0.000 1.104 674 M CB 0.018 32.270 32.600 -0.580 0.000 1.409 674 M HN -0.043 nan 8.290 nan 0.000 0.467 675 S N 0.964 116.850 115.700 0.309 0.000 2.537 675 S HA -0.048 4.422 4.470 0.001 0.000 0.240 675 S C 0.653 175.544 174.600 0.484 0.000 0.981 675 S CA 0.523 58.957 58.200 0.390 0.000 0.948 675 S CB -0.638 62.690 63.200 0.214 0.000 0.759 675 S HN 0.451 nan 8.310 nan 0.000 0.531 676 N N 0.273 119.248 118.700 0.458 0.000 2.430 676 N HA 0.112 4.853 4.740 0.001 0.000 0.292 676 N C 0.371 176.133 175.510 0.420 0.000 1.051 676 N CA -0.747 52.554 53.050 0.419 0.000 0.917 676 N CB 0.356 39.010 38.487 0.278 0.000 1.164 676 N HN 0.295 nan 8.380 nan 0.000 0.484 677 W N 3.848 125.151 121.300 0.005 0.000 2.321 677 W HA -0.102 4.559 4.660 0.001 0.000 0.306 677 W C -0.441 176.057 176.519 -0.034 0.000 1.217 677 W CA 0.712 57.848 57.345 -0.348 0.000 1.257 677 W CB 0.176 29.393 29.460 -0.405 0.000 1.145 677 W HN 0.481 nan 8.180 nan 0.000 0.509 678 N N 1.951 120.606 118.700 -0.076 0.000 3.298 678 N HA -0.011 4.730 4.740 0.001 0.000 0.292 678 N C -0.864 174.585 175.510 -0.101 0.000 1.271 678 N CA -0.127 52.787 53.050 -0.226 0.000 1.184 678 N CB -0.860 37.559 38.487 -0.113 0.000 1.452 678 N HN -0.028 nan 8.380 nan 0.000 0.534 679 F N 3.812 123.584 119.950 -0.296 0.000 2.533 679 F HA 0.198 4.726 4.527 0.001 0.000 0.378 679 F C -1.608 174.036 175.800 -0.261 0.000 1.070 679 F CA -2.585 55.245 58.000 -0.283 0.000 1.172 679 F CB 0.549 39.201 39.000 -0.579 0.000 1.085 679 F HN 0.159 nan 8.300 nan 0.000 0.552 680 P HA -0.052 nan 4.420 nan 0.000 0.235 680 P C 1.523 178.201 177.300 -1.036 0.000 1.670 680 P CA 0.491 63.227 63.100 -0.608 0.000 1.017 680 P CB -0.298 31.233 31.700 -0.283 0.000 1.945 681 I N -0.251 119.449 120.570 -1.451 0.000 2.315 681 I HA -0.287 3.884 4.170 0.001 0.000 0.251 681 I C 1.369 176.970 176.117 -0.861 0.000 1.125 681 I CA 1.546 62.033 61.300 -1.355 0.000 1.392 681 I CB -0.095 37.312 38.000 -0.988 0.000 1.065 681 I HN -0.026 nan 8.210 nan 0.000 0.424 682 F N 0.909 120.604 119.950 -0.426 0.000 2.325 682 F HA -0.100 4.428 4.527 0.001 0.000 0.299 682 F C 2.406 178.057 175.800 -0.249 0.000 1.090 682 F CA 0.813 58.622 58.000 -0.319 0.000 1.392 682 F CB -0.298 38.500 39.000 -0.336 0.000 1.053 682 F HN 0.075 nan 8.300 nan 0.000 0.521 683 E N 0.338 120.455 120.200 -0.138 0.000 2.047 683 E HA -0.212 4.139 4.350 0.001 0.000 0.191 683 E C 2.157 178.693 176.600 -0.106 0.000 0.987 683 E CA 1.126 57.462 56.400 -0.106 0.000 0.799 683 E CB -0.470 29.161 29.700 -0.115 0.000 0.752 683 E HN 0.272 nan 8.360 nan 0.000 0.449 684 L N 1.306 122.433 121.223 -0.160 0.000 2.051 684 L HA -0.214 4.126 4.340 0.001 0.000 0.214 684 L C 2.256 179.084 176.870 -0.071 0.000 1.076 684 L CA 1.523 56.315 54.840 -0.080 0.000 0.758 684 L CB -0.464 41.573 42.059 -0.036 0.000 0.890 684 L HN -0.063 nan 8.230 nan 0.000 0.433 685 V N -0.192 119.657 119.914 -0.108 0.000 2.295 685 V HA -0.319 3.802 4.120 0.001 0.000 0.246 685 V C 2.597 178.664 176.094 -0.046 0.000 1.049 685 V CA 2.141 64.396 62.300 -0.075 0.000 1.024 685 V CB -0.747 31.032 31.823 -0.074 0.000 0.648 685 V HN 0.655 nan 8.190 nan 0.000 0.447 686 E N 0.234 120.409 120.200 -0.041 0.000 2.150 686 E HA -0.250 4.100 4.350 0.001 0.000 0.193 686 E C 2.247 178.829 176.600 -0.031 0.000 0.985 686 E CA 1.142 57.522 56.400 -0.034 0.000 0.814 686 E CB -0.077 29.601 29.700 -0.036 0.000 0.752 686 E HN 0.570 nan 8.360 nan 0.000 0.466 687 K N -0.078 120.303 120.400 -0.032 0.000 2.365 687 K HA -0.045 4.276 4.320 0.001 0.000 0.199 687 K C 1.820 178.409 176.600 -0.018 0.000 1.045 687 K CA 0.722 56.996 56.287 -0.022 0.000 0.962 687 K CB 0.106 32.595 32.500 -0.018 0.000 0.759 687 K HN 0.209 nan 8.250 nan 0.000 0.469 688 M N -0.162 119.425 119.600 -0.022 0.000 2.447 688 M HA 0.056 4.537 4.480 0.001 0.000 0.264 688 M C 1.319 177.608 176.300 -0.018 0.000 1.095 688 M CA 0.750 56.039 55.300 -0.019 0.000 1.125 688 M CB 0.032 32.619 32.600 -0.022 0.000 1.389 688 M HN 0.421 nan 8.290 nan 0.000 0.459 689 G N 1.714 110.501 108.800 -0.021 0.000 2.596 689 G HA2 -0.355 3.606 3.960 0.001 0.000 0.304 689 G HA3 -0.355 3.606 3.960 0.001 0.000 0.304 689 G C 0.455 175.344 174.900 -0.018 0.000 1.189 689 G CA 0.662 45.750 45.100 -0.019 0.000 0.986 689 G HN 0.560 nan 8.290 nan 0.000 0.548 690 E N 1.106 121.298 120.200 -0.015 0.000 2.418 690 E HA 0.026 4.376 4.350 0.001 0.000 0.197 690 E C 1.764 178.356 176.600 -0.013 0.000 1.026 690 E CA 1.021 57.413 56.400 -0.013 0.000 0.862 690 E CB -0.020 29.674 29.700 -0.010 0.000 0.799 690 E HN 0.536 nan 8.360 nan 0.000 0.518 691 K N 0.759 121.150 120.400 -0.015 0.000 2.397 691 K HA 0.080 4.401 4.320 0.001 0.000 0.202 691 K C 1.593 178.180 176.600 -0.021 0.000 1.022 691 K CA 0.160 56.438 56.287 -0.016 0.000 1.141 691 K CB 0.557 33.049 32.500 -0.014 0.000 0.857 691 K HN 0.015 nan 8.250 nan 0.000 0.514 692 S N -0.029 115.657 115.700 -0.024 0.000 2.469 692 S HA -0.094 4.376 4.470 0.001 0.000 0.238 692 S C 1.987 176.566 174.600 -0.035 0.000 0.998 692 S CA 0.881 59.063 58.200 -0.031 0.000 0.957 692 S CB -0.349 62.832 63.200 -0.032 0.000 0.764 692 S HN 0.399 nan 8.310 nan 0.000 0.514 693 G N 1.380 110.164 108.800 -0.027 0.000 2.598 693 G HA2 -0.024 3.936 3.960 0.001 0.000 0.215 693 G HA3 -0.024 3.936 3.960 0.001 0.000 0.215 693 G C 1.243 176.123 174.900 -0.033 0.000 1.131 693 G CA -0.226 44.859 45.100 -0.025 0.000 0.785 693 G HN 0.508 nan 8.290 nan 0.000 0.539 694 R N 0.077 120.556 120.500 -0.035 0.000 2.831 694 R HA 0.370 4.710 4.340 0.001 0.000 0.337 694 R C 1.047 177.318 176.300 -0.049 0.000 1.200 694 R CA -0.297 55.779 56.100 -0.040 0.000 1.088 694 R CB 0.069 30.350 30.300 -0.031 0.000 1.397 694 R HN 0.359 nan 8.270 nan 0.000 0.581 695 I N 0.449 120.982 120.570 -0.061 0.000 2.584 695 I HA -0.163 4.008 4.170 0.001 0.000 0.255 695 I C 1.612 177.674 176.117 -0.091 0.000 1.145 695 I CA 0.809 62.068 61.300 -0.067 0.000 1.462 695 I CB 0.348 38.305 38.000 -0.072 0.000 1.102 695 I HN 0.218 nan 8.210 nan 0.000 0.433 696 L N 0.506 121.659 121.223 -0.117 0.000 2.131 696 L HA -0.106 4.234 4.340 0.001 0.000 0.206 696 L C 2.637 179.413 176.870 -0.157 0.000 1.087 696 L CA 2.147 56.896 54.840 -0.152 0.000 0.767 696 L CB -0.523 41.425 42.059 -0.186 0.000 0.917 696 L HN 0.361 nan 8.230 nan 0.000 0.441 697 S N -1.752 113.879 115.700 -0.114 0.000 2.383 697 S HA -0.163 4.308 4.470 0.001 0.000 0.227 697 S C 1.864 176.434 174.600 -0.049 0.000 1.026 697 S CA 0.672 58.809 58.200 -0.106 0.000 0.981 697 S CB -0.535 62.630 63.200 -0.058 0.000 0.818 697 S HN 0.509 nan 8.310 nan 0.000 0.472 698 Q N 0.959 120.742 119.800 -0.030 0.000 2.123 698 Q HA 0.108 4.449 4.340 0.001 0.000 0.199 698 Q C 2.546 178.563 176.000 0.028 0.000 0.966 698 Q CA 1.091 56.911 55.803 0.028 0.000 0.845 698 Q CB -0.784 27.957 28.738 0.004 0.000 0.907 698 Q HN 0.551 nan 8.270 nan 0.000 0.439 699 V N 0.879 120.751 119.914 -0.070 0.000 2.358 699 V HA -0.226 3.895 4.120 0.001 0.000 0.246 699 V C 2.408 178.404 176.094 -0.164 0.000 1.047 699 V CA 1.230 63.440 62.300 -0.151 0.000 1.035 699 V CB -0.486 31.221 31.823 -0.193 0.000 0.658 699 V HN 0.315 nan 8.190 nan 0.000 0.452 700 M N -0.821 118.673 119.600 -0.177 0.000 2.065 700 M HA -0.228 4.253 4.480 0.001 0.000 0.259 700 M C 2.350 178.656 176.300 0.010 0.000 1.069 700 M CA 2.210 57.367 55.300 -0.238 0.000 1.110 700 M CB -0.956 31.249 32.600 -0.658 0.000 1.328 700 M HN 0.531 nan 8.290 nan 0.000 0.405 701 Y N 1.105 121.431 120.300 0.043 0.000 2.274 701 Y HA -0.203 4.348 4.550 0.001 0.000 0.290 701 Y C 2.232 178.191 175.900 0.098 0.000 1.145 701 Y CA 2.058 60.233 58.100 0.126 0.000 1.203 701 Y CB -0.505 38.033 38.460 0.131 0.000 0.984 701 Y HN 0.216 nan 8.280 nan 0.000 0.533 702 T N 0.869 115.436 114.554 0.023 0.000 2.732 702 T HA -0.106 4.245 4.350 0.001 0.000 0.261 702 T C 1.944 176.576 174.700 -0.114 0.000 1.040 702 T CA 1.639 63.720 62.100 -0.032 0.000 1.145 702 T CB -0.463 68.338 68.868 -0.112 0.000 0.866 702 T HN 0.298 nan 8.240 nan 0.000 0.427 703 L N -0.247 120.838 121.223 -0.230 0.000 2.275 703 L HA 0.042 4.382 4.340 0.001 0.000 0.215 703 L C 2.087 178.955 176.870 -0.005 0.000 1.119 703 L CA 0.805 55.431 54.840 -0.357 0.000 0.790 703 L CB -0.445 41.186 42.059 -0.714 0.000 0.919 703 L HN 0.181 nan 8.230 nan 0.000 0.443 704 F N -0.147 119.705 119.950 -0.163 0.000 2.367 704 F HA -0.111 4.417 4.527 0.001 0.000 0.298 704 F C 2.701 178.409 175.800 -0.153 0.000 1.094 704 F CA 0.890 58.828 58.000 -0.102 0.000 1.409 704 F CB -0.189 38.708 39.000 -0.172 0.000 1.064 704 F HN 0.052 nan 8.300 nan 0.000 0.528 705 Q N 0.024 119.773 119.800 -0.085 0.000 2.049 705 Q HA -0.206 4.135 4.340 0.001 0.000 0.198 705 Q C 1.892 177.907 176.000 0.026 0.000 0.971 705 Q CA 1.811 57.526 55.803 -0.146 0.000 0.833 705 Q CB -0.661 27.896 28.738 -0.302 0.000 0.896 705 Q HN 0.456 nan 8.270 nan 0.000 0.434 706 D N -0.494 120.009 120.400 0.173 0.000 2.149 706 D HA -0.149 4.491 4.640 0.001 0.000 0.198 706 D C 1.666 178.067 176.300 0.168 0.000 0.990 706 D CA 2.233 56.367 54.000 0.223 0.000 0.839 706 D CB 0.149 41.088 40.800 0.231 0.000 0.948 706 D HN 0.351 nan 8.370 nan 0.000 0.460 707 T N -4.197 110.443 114.554 0.143 0.000 3.054 707 T HA 0.251 4.601 4.350 0.001 0.000 0.259 707 T C 1.863 176.580 174.700 0.028 0.000 1.092 707 T CA 0.610 62.779 62.100 0.114 0.000 1.121 707 T CB 0.162 69.118 68.868 0.147 0.000 0.912 707 T HN 0.319 nan 8.240 nan 0.000 0.489 708 G N 1.115 109.910 108.800 -0.009 0.000 2.141 708 G HA2 -0.237 3.723 3.960 0.001 0.000 0.242 708 G HA3 -0.237 3.723 3.960 0.001 0.000 0.242 708 G C 0.685 175.551 174.900 -0.058 0.000 0.982 708 G CA 0.286 45.361 45.100 -0.041 0.000 0.662 708 G HN 0.527 nan 8.290 nan 0.000 0.527 709 L N -0.092 121.088 121.223 -0.073 0.000 2.131 709 L HA 0.050 4.391 4.340 0.001 0.000 0.210 709 L C 2.970 179.899 176.870 0.098 0.000 1.092 709 L CA 1.301 56.128 54.840 -0.020 0.000 0.759 709 L CB -0.355 41.514 42.059 -0.316 0.000 0.903 709 L HN 0.376 nan 8.230 nan 0.000 0.435 710 L N -0.873 120.375 121.223 0.041 0.000 2.083 710 L HA -0.184 4.156 4.340 0.001 0.000 0.209 710 L C 2.661 179.547 176.870 0.026 0.000 1.083 710 L CA 0.921 55.793 54.840 0.053 0.000 0.752 710 L CB -0.433 41.594 42.059 -0.053 0.000 0.899 710 L HN 0.256 nan 8.230 nan 0.000 0.433 711 E N 0.464 120.643 120.200 -0.035 0.000 2.033 711 E HA -0.076 4.275 4.350 0.001 0.000 0.189 711 E C 2.272 178.791 176.600 -0.134 0.000 0.979 711 E CA 0.927 57.283 56.400 -0.074 0.000 0.802 711 E CB -0.142 29.508 29.700 -0.083 0.000 0.763 711 E HN 0.396 nan 8.360 nan 0.000 0.449 712 I N -0.146 120.294 120.570 -0.216 0.000 2.248 712 I HA -0.267 3.904 4.170 0.001 0.000 0.248 712 I C 1.228 176.938 176.117 -0.678 0.000 1.107 712 I CA 1.266 62.277 61.300 -0.482 0.000 1.373 712 I CB -0.178 37.416 38.000 -0.677 0.000 1.055 712 I HN -0.004 nan 8.210 nan 0.000 0.418 713 F N 0.154 120.111 119.950 0.012 0.000 2.668 713 F HA 0.253 4.781 4.527 0.001 0.000 0.301 713 F C 0.593 176.416 175.800 0.040 0.000 1.106 713 F CA -0.521 57.512 58.000 0.055 0.000 1.289 713 F CB 0.247 39.314 39.000 0.113 0.000 1.006 713 F HN -0.238 nan 8.300 nan 0.000 0.535 714 K N 1.486 121.898 120.400 0.020 0.000 3.177 714 K HA -0.208 4.113 4.320 0.001 0.000 0.266 714 K C -0.141 176.531 176.600 0.120 0.000 0.937 714 K CA 0.464 56.700 56.287 -0.084 0.000 0.702 714 K CB -1.863 30.341 32.500 -0.494 0.000 1.365 714 K HN 0.462 nan 8.250 nan 0.000 0.466 715 I N 2.569 123.286 120.570 0.245 0.000 2.618 715 I HA -0.003 4.168 4.170 0.001 0.000 0.284 715 I C -1.178 175.098 176.117 0.264 0.000 1.146 715 I CA -1.384 60.127 61.300 0.350 0.000 1.425 715 I CB 0.281 38.488 38.000 0.344 0.000 1.383 715 I HN -0.020 nan 8.210 nan 0.000 0.562 716 P HA 0.135 nan 4.420 nan 0.000 0.287 716 P C 0.424 177.877 177.300 0.256 0.000 1.294 716 P CA -0.312 62.942 63.100 0.256 0.000 0.776 716 P CB 1.199 33.057 31.700 0.264 0.000 0.889 717 T N 2.153 116.816 114.554 0.181 0.000 2.665 717 T HA -0.241 4.110 4.350 0.001 0.000 0.268 717 T C 1.734 176.562 174.700 0.213 0.000 1.035 717 T CA 2.009 64.216 62.100 0.178 0.000 1.151 717 T CB -0.360 68.581 68.868 0.122 0.000 0.862 717 T HN 0.446 nan 8.240 nan 0.000 0.438 718 Q N 1.078 120.980 119.800 0.170 0.000 2.030 718 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 718 Q C 2.273 178.399 176.000 0.210 0.000 0.986 718 Q CA 1.830 57.724 55.803 0.152 0.000 0.843 718 Q CB -0.384 28.425 28.738 0.118 0.000 0.904 718 Q HN 0.454 nan 8.270 nan 0.000 0.420 719 Q N -0.867 119.092 119.800 0.265 0.000 2.167 719 Q HA -0.023 4.317 4.340 0.001 0.000 0.202 719 Q C 1.689 177.929 176.000 0.400 0.000 0.970 719 Q CA 1.342 57.341 55.803 0.327 0.000 0.855 719 Q CB -0.408 28.533 28.738 0.338 0.000 0.911 719 Q HN 0.477 nan 8.270 nan 0.000 0.438 720 F N 0.210 120.278 119.950 0.196 0.000 2.075 720 F HA -0.248 4.279 4.527 0.001 0.000 0.297 720 F C 1.735 177.581 175.800 0.077 0.000 1.113 720 F CA 1.309 59.282 58.000 -0.045 0.000 1.218 720 F CB -0.015 38.942 39.000 -0.071 0.000 0.984 720 F HN 0.046 nan 8.300 nan 0.000 0.472 721 M N 0.557 120.328 119.600 0.284 0.000 2.175 721 M HA -0.184 4.296 4.480 0.001 0.000 0.264 721 M C 1.856 178.180 176.300 0.039 0.000 1.063 721 M CA 1.184 56.558 55.300 0.123 0.000 1.119 721 M CB -1.627 31.038 32.600 0.109 0.000 1.377 721 M HN 0.244 nan 8.290 nan 0.000 0.415 722 N N -0.191 118.573 118.700 0.107 0.000 2.104 722 N HA -0.207 4.534 4.740 0.001 0.000 0.190 722 N C 1.784 177.243 175.510 -0.086 0.000 1.024 722 N CA 1.343 54.464 53.050 0.118 0.000 0.853 722 N CB -0.566 38.101 38.487 0.300 0.000 1.008 722 N HN 0.387 nan 8.380 nan 0.000 0.424 723 Y N 0.984 121.098 120.300 -0.310 0.000 2.109 723 Y HA -0.112 4.438 4.550 0.001 0.000 0.285 723 Y C 1.952 177.412 175.900 -0.734 0.000 1.131 723 Y CA 1.351 58.984 58.100 -0.779 0.000 1.121 723 Y CB -0.750 37.328 38.460 -0.636 0.000 0.987 723 Y HN -0.139 nan 8.280 nan 0.000 0.495 724 F N 0.262 119.889 119.950 -0.539 0.000 2.408 724 F HA -0.091 4.436 4.527 0.001 0.000 0.300 724 F C 2.387 177.943 175.800 -0.407 0.000 1.090 724 F CA 1.299 58.955 58.000 -0.574 0.000 1.427 724 F CB -0.467 38.162 39.000 -0.618 0.000 1.070 724 F HN -0.015 nan 8.300 nan 0.000 0.549 725 R N -0.333 120.048 120.500 -0.198 0.000 2.075 725 R HA 0.012 4.352 4.340 0.001 0.000 0.226 725 R C 2.463 178.665 176.300 -0.164 0.000 1.114 725 R CA 1.004 57.029 56.100 -0.125 0.000 0.972 725 R CB -0.556 29.703 30.300 -0.068 0.000 0.869 725 R HN 0.227 nan 8.270 nan 0.000 0.437 726 A N 0.939 123.576 122.820 -0.304 0.000 1.969 726 A HA -0.130 4.190 4.320 0.001 0.000 0.218 726 A C 1.987 179.408 177.584 -0.272 0.000 1.169 726 A CA 0.902 52.765 52.037 -0.291 0.000 0.635 726 A CB -0.351 18.348 19.000 -0.502 0.000 0.810 726 A HN 0.209 nan 8.150 nan 0.000 0.445 727 L N 0.237 121.158 121.223 -0.502 0.000 2.027 727 L HA -0.143 4.197 4.340 0.001 0.000 0.206 727 L C 2.214 179.180 176.870 0.161 0.000 1.074 727 L CA 2.385 57.031 54.840 -0.322 0.000 0.745 727 L CB -0.765 40.942 42.059 -0.587 0.000 0.898 727 L HN 0.529 nan 8.230 nan 0.000 0.433 728 E N -0.301 119.932 120.200 0.055 0.000 2.048 728 E HA -0.276 4.075 4.350 0.001 0.000 0.202 728 E C 1.702 178.396 176.600 0.158 0.000 1.021 728 E CA 1.577 58.040 56.400 0.104 0.000 0.825 728 E CB -0.380 29.314 29.700 -0.010 0.000 0.756 728 E HN 0.525 nan 8.360 nan 0.000 0.454 729 N N 0.171 118.917 118.700 0.077 0.000 2.503 729 N HA -0.111 4.630 4.740 0.001 0.000 0.189 729 N C 1.453 177.000 175.510 0.062 0.000 1.048 729 N CA 1.114 54.201 53.050 0.061 0.000 0.905 729 N CB -0.415 38.093 38.487 0.034 0.000 0.951 729 N HN 0.258 nan 8.380 nan 0.000 0.446 730 G N -1.746 107.123 108.800 0.115 0.000 2.838 730 G HA2 -0.041 3.920 3.960 0.001 0.000 0.210 730 G HA3 -0.041 3.920 3.960 0.001 0.000 0.210 730 G C -0.160 174.475 174.900 -0.442 0.000 1.153 730 G CA -0.218 44.747 45.100 -0.225 0.000 0.778 730 G HN 0.189 nan 8.290 nan 0.000 0.539 731 Y N 1.640 121.831 120.300 -0.180 0.000 2.359 731 Y HA 0.402 4.953 4.550 0.001 0.000 0.334 731 Y C 1.196 177.049 175.900 -0.077 0.000 1.058 731 Y CA -0.663 57.361 58.100 -0.126 0.000 1.244 731 Y CB 0.736 39.168 38.460 -0.048 0.000 1.187 731 Y HN -0.052 nan 8.280 nan 0.000 0.510 732 R N 1.051 121.583 120.500 0.053 0.000 2.637 732 R HA 0.045 4.386 4.340 0.001 0.000 0.269 732 R C -0.374 175.973 176.300 0.078 0.000 1.089 732 R CA -0.623 55.506 56.100 0.049 0.000 1.177 732 R CB 0.375 30.697 30.300 0.036 0.000 1.091 732 R HN 0.554 nan 8.270 nan 0.000 0.540 733 D N 2.588 123.019 120.400 0.051 0.000 2.713 733 D HA 0.121 4.761 4.640 0.001 0.000 0.229 733 D C -0.325 176.000 176.300 0.043 0.000 1.136 733 D CA -0.204 53.821 54.000 0.042 0.000 1.010 733 D CB -0.454 40.361 40.800 0.024 0.000 1.084 733 D HN 0.369 nan 8.370 nan 0.000 0.495 734 I N -1.707 118.899 120.570 0.061 0.000 2.750 734 I HA 0.542 4.713 4.170 0.001 0.000 0.308 734 I C -1.497 174.648 176.117 0.047 0.000 1.016 734 I CA -2.220 59.117 61.300 0.062 0.000 1.098 734 I CB 1.879 39.939 38.000 0.100 0.000 1.279 734 I HN -0.239 nan 8.210 nan 0.000 0.454 735 P HA -0.213 nan 4.420 nan 0.000 0.216 735 P C 0.884 178.206 177.300 0.036 0.000 1.150 735 P CA 1.790 64.895 63.100 0.010 0.000 0.837 735 P CB 0.154 31.844 31.700 -0.015 0.000 0.786 736 Y N -0.379 119.841 120.300 -0.134 0.000 2.624 736 Y HA 0.180 4.731 4.550 0.001 0.000 0.260 736 Y C 1.125 176.850 175.900 -0.291 0.000 1.090 736 Y CA 0.437 58.381 58.100 -0.259 0.000 1.347 736 Y CB -0.564 37.567 38.460 -0.548 0.000 1.349 736 Y HN -0.143 nan 8.280 nan 0.000 0.502 737 H N 2.091 121.128 119.070 -0.055 0.000 3.220 737 H HA 0.182 4.738 4.556 0.001 0.000 0.225 737 H C -0.791 174.578 175.328 0.068 0.000 1.869 737 H CA -0.104 55.863 56.048 -0.135 0.000 1.428 737 H CB -1.045 28.437 29.762 -0.466 0.000 1.792 737 H HN 0.368 nan 8.280 nan 0.000 0.595 738 N N -1.048 117.747 118.700 0.160 0.000 3.002 738 N HA 0.261 5.002 4.740 0.001 0.000 0.331 738 N C 0.842 176.293 175.510 -0.099 0.000 1.384 738 N CA -1.124 52.039 53.050 0.189 0.000 0.780 738 N CB 0.929 39.468 38.487 0.087 0.000 1.492 738 N HN 0.033 nan 8.380 nan 0.000 0.608 739 R N -0.358 119.996 120.500 -0.244 0.000 2.119 739 R HA -0.050 4.291 4.340 0.001 0.000 0.246 739 R C 1.671 177.785 176.300 -0.310 0.000 1.146 739 R CA 1.992 57.805 56.100 -0.479 0.000 0.962 739 R CB -0.996 29.166 30.300 -0.229 0.000 0.863 739 R HN 0.550 nan 8.270 nan 0.000 0.442 740 I N -0.630 119.866 120.570 -0.123 0.000 2.179 740 I HA -0.294 3.877 4.170 0.001 0.000 0.242 740 I C 2.553 178.687 176.117 0.027 0.000 1.088 740 I CA 1.637 62.920 61.300 -0.028 0.000 1.357 740 I CB -0.468 37.561 38.000 0.049 0.000 1.051 740 I HN 0.222 nan 8.210 nan 0.000 0.409 741 H N 1.425 120.434 119.070 -0.103 0.000 2.319 741 H HA -0.152 4.405 4.556 0.001 0.000 0.299 741 H C 2.144 177.307 175.328 -0.275 0.000 1.092 741 H CA 1.705 57.516 56.048 -0.396 0.000 1.302 741 H CB -0.211 29.230 29.762 -0.534 0.000 1.373 741 H HN 0.289 nan 8.280 nan 0.000 0.497 742 A N -0.419 122.195 122.820 -0.344 0.000 1.873 742 A HA -0.251 4.070 4.320 0.001 0.000 0.218 742 A C 2.570 180.013 177.584 -0.234 0.000 1.193 742 A CA 2.670 54.535 52.037 -0.285 0.000 0.629 742 A CB -1.323 17.336 19.000 -0.567 0.000 0.826 742 A HN 0.604 nan 8.150 nan 0.000 0.447 743 T N -0.397 114.014 114.554 -0.238 0.000 2.665 743 T HA -0.206 4.145 4.350 0.001 0.000 0.268 743 T C 1.666 176.287 174.700 -0.130 0.000 1.035 743 T CA 1.899 63.899 62.100 -0.167 0.000 1.151 743 T CB -0.533 68.254 68.868 -0.134 0.000 0.862 743 T HN 0.680 nan 8.240 nan 0.000 0.438 744 D N 0.496 120.791 120.400 -0.176 0.000 2.117 744 D HA -0.088 4.553 4.640 0.001 0.000 0.197 744 D C 2.026 178.213 176.300 -0.189 0.000 0.987 744 D CA 0.692 54.584 54.000 -0.181 0.000 0.829 744 D CB -0.220 40.380 40.800 -0.334 0.000 0.961 744 D HN 0.183 nan 8.370 nan 0.000 0.460 745 V N 0.470 120.199 119.914 -0.308 0.000 2.427 745 V HA -0.165 3.956 4.120 0.001 0.000 0.248 745 V C 2.401 178.419 176.094 -0.128 0.000 1.051 745 V CA 1.348 63.489 62.300 -0.265 0.000 1.048 745 V CB -0.524 31.049 31.823 -0.417 0.000 0.666 745 V HN 0.316 nan 8.190 nan 0.000 0.456 746 L N 0.205 121.362 121.223 -0.111 0.000 2.046 746 L HA -0.218 4.122 4.340 0.001 0.000 0.208 746 L C 2.489 179.329 176.870 -0.050 0.000 1.077 746 L CA 2.344 57.139 54.840 -0.075 0.000 0.747 746 L CB -1.117 40.876 42.059 -0.111 0.000 0.896 746 L HN 0.518 nan 8.230 nan 0.000 0.432 747 H N -0.415 118.594 119.070 -0.102 0.000 2.462 747 H HA 0.014 4.570 4.556 0.001 0.000 0.292 747 H C 1.776 177.237 175.328 0.222 0.000 1.049 747 H CA 1.226 57.265 56.048 -0.014 0.000 1.334 747 H CB 0.275 29.994 29.762 -0.071 0.000 1.404 747 H HN 0.500 nan 8.280 nan 0.000 0.544 748 A N 1.200 124.129 122.820 0.182 0.000 1.840 748 A HA -0.078 4.243 4.320 0.001 0.000 0.214 748 A C 2.833 180.553 177.584 0.228 0.000 1.198 748 A CA 2.037 54.230 52.037 0.260 0.000 0.608 748 A CB -1.139 17.975 19.000 0.190 0.000 0.839 748 A HN 0.339 nan 8.150 nan 0.000 0.443 749 V N -3.086 116.917 119.914 0.147 0.000 2.324 749 V HA -0.298 3.822 4.120 0.001 0.000 0.250 749 V C 2.249 178.497 176.094 0.257 0.000 1.060 749 V CA 2.043 64.456 62.300 0.189 0.000 1.042 749 V CB -1.596 30.358 31.823 0.217 0.000 0.650 749 V HN 0.748 nan 8.190 nan 0.000 0.450 750 W N 0.532 121.754 121.300 -0.129 0.000 2.333 750 W HA -0.233 4.428 4.660 0.001 0.000 0.316 750 W C 2.551 178.998 176.519 -0.119 0.000 1.215 750 W CA 2.032 59.194 57.345 -0.306 0.000 1.278 750 W CB -0.777 28.349 29.460 -0.556 0.000 1.154 750 W HN 0.375 nan 8.180 nan 0.000 0.486 751 Y N 0.511 120.730 120.300 -0.134 0.000 2.224 751 Y HA -0.237 4.313 4.550 0.001 0.000 0.289 751 Y C 2.283 178.032 175.900 -0.250 0.000 1.146 751 Y CA 2.342 60.213 58.100 -0.383 0.000 1.182 751 Y CB -0.460 37.957 38.460 -0.072 0.000 0.983 751 Y HN -0.056 nan 8.280 nan 0.000 0.524 752 L N -0.559 120.756 121.223 0.153 0.000 2.201 752 L HA -0.154 4.187 4.340 0.001 0.000 0.212 752 L C 2.196 179.074 176.870 0.013 0.000 1.105 752 L CA 1.742 56.646 54.840 0.107 0.000 0.775 752 L CB -0.594 41.543 42.059 0.131 0.000 0.913 752 L HN 0.371 nan 8.230 nan 0.000 0.440 753 T N -6.181 108.362 114.554 -0.019 0.000 3.086 753 T HA 0.012 4.363 4.350 0.001 0.000 0.250 753 T C 1.396 176.002 174.700 -0.156 0.000 1.074 753 T CA 0.675 62.761 62.100 -0.023 0.000 0.988 753 T CB -0.002 68.931 68.868 0.109 0.000 0.988 753 T HN 0.375 nan 8.240 nan 0.000 0.530 754 T N -1.547 112.792 114.554 -0.358 0.000 2.954 754 T HA 0.341 4.691 4.350 0.001 0.000 0.252 754 T C 0.845 175.260 174.700 -0.475 0.000 0.983 754 T CA -0.636 61.197 62.100 -0.445 0.000 0.941 754 T CB 0.293 68.749 68.868 -0.687 0.000 1.141 754 T HN 0.079 nan 8.240 nan 0.000 0.500 755 R N 2.380 122.530 120.500 -0.582 0.000 2.560 755 R HA 0.451 4.791 4.340 0.001 0.000 0.270 755 R C -2.841 173.280 176.300 -0.298 0.000 1.074 755 R CA -2.707 53.074 56.100 -0.531 0.000 1.140 755 R CB -0.739 29.091 30.300 -0.783 0.000 1.073 755 R HN 0.195 nan 8.270 nan 0.000 0.527 756 P HA -0.027 nan 4.420 nan 0.000 0.262 756 P C -0.695 176.597 177.300 -0.013 0.000 1.182 756 P CA 0.314 63.343 63.100 -0.118 0.000 0.761 756 P CB 0.464 31.991 31.700 -0.290 0.000 0.795 757 V N 6.821 126.772 119.914 0.061 0.000 2.444 757 V HA 0.287 4.407 4.120 0.001 0.000 0.294 757 V C -2.231 173.817 176.094 -0.076 0.000 1.022 757 V CA -2.255 60.032 62.300 -0.022 0.000 0.850 757 V CB 1.912 33.691 31.823 -0.074 0.000 0.992 757 V HN 0.429 nan 8.190 nan 0.000 0.426 758 P HA 0.149 nan 4.420 nan 0.000 0.257 758 P C 0.957 178.011 177.300 -0.409 0.000 1.189 758 P CA 1.318 63.925 63.100 -0.822 0.000 0.780 758 P CB 0.257 31.171 31.700 -1.309 0.000 0.772 759 G N 2.687 111.435 108.800 -0.087 0.000 2.153 759 G HA2 -0.275 3.686 3.960 0.001 0.000 0.252 759 G HA3 -0.275 3.686 3.960 0.001 0.000 0.252 759 G C -0.095 174.818 174.900 0.022 0.000 0.994 759 G CA -0.439 44.727 45.100 0.109 0.000 0.698 759 G HN 0.561 nan 8.290 nan 0.000 0.521 760 L N 1.369 122.575 121.223 -0.028 0.000 2.407 760 L HA 0.662 5.003 4.340 0.001 0.000 0.282 760 L C 0.945 177.793 176.870 -0.037 0.000 1.110 760 L CA 0.645 55.466 54.840 -0.031 0.000 0.863 760 L CB -0.096 41.919 42.059 -0.074 0.000 1.207 760 L HN 0.668 nan 8.230 nan 0.000 0.454 761 Q N 4.959 124.757 119.800 -0.003 0.000 2.239 761 Q HA 0.131 4.471 4.340 0.001 0.000 0.286 761 Q C 0.016 175.962 176.000 -0.090 0.000 1.102 761 Q CA 0.044 55.839 55.803 -0.013 0.000 0.936 761 Q CB -0.384 28.380 28.738 0.043 0.000 1.127 761 Q HN 0.743 nan 8.270 nan 0.000 0.380 762 Q N 1.111 120.847 119.800 -0.108 0.000 2.368 762 Q HA 0.468 4.808 4.340 0.001 0.000 0.237 762 Q C 1.219 177.130 176.000 -0.148 0.000 0.987 762 Q CA 0.293 55.992 55.803 -0.173 0.000 0.896 762 Q CB 1.242 29.896 28.738 -0.141 0.000 1.241 762 Q HN 0.939 nan 8.270 nan 0.000 0.485 763 I N -3.319 117.135 120.570 -0.193 0.000 3.366 763 I HA 0.240 4.410 4.170 0.001 0.000 0.267 763 I C 0.574 176.593 176.117 -0.162 0.000 1.149 763 I CA 0.342 61.568 61.300 -0.124 0.000 1.436 763 I CB 0.565 38.526 38.000 -0.064 0.000 1.379 763 I HN 0.560 nan 8.210 nan 0.000 0.460 764 H N 0.673 119.570 119.070 -0.287 0.000 3.298 764 H HA 0.614 5.170 4.556 0.001 0.000 0.328 764 H C -0.891 174.104 175.328 -0.555 0.000 1.278 764 H CA -0.156 55.688 56.048 -0.341 0.000 1.609 764 H CB -0.732 28.865 29.762 -0.275 0.000 2.082 764 H HN 0.498 nan 8.280 nan 0.000 0.465 765 N N 1.798 120.290 118.700 -0.347 0.000 2.968 765 N HA 0.479 5.220 4.740 0.001 0.000 0.271 765 N C 1.265 176.664 175.510 -0.184 0.000 1.174 765 N CA 0.266 53.145 53.050 -0.285 0.000 1.096 765 N CB 0.372 38.759 38.487 -0.167 0.000 1.403 765 N HN 1.250 nan 8.380 nan 0.000 0.522 766 G N -0.628 108.058 108.800 -0.189 0.000 2.711 766 G HA2 0.437 4.398 3.960 0.001 0.000 0.186 766 G HA3 0.437 4.398 3.960 0.001 0.000 0.186 766 G C 1.013 175.929 174.900 0.027 0.000 1.635 766 G CA 0.774 45.859 45.100 -0.025 0.000 1.065 766 G HN 1.033 nan 8.290 nan 0.000 0.545 775 S N -1.416 114.261 115.700 -0.038 0.000 3.200 775 S HA 0.310 4.781 4.470 0.001 0.000 0.209 775 S C 0.164 174.749 174.600 -0.025 0.000 0.869 775 S CA 0.620 58.801 58.200 -0.031 0.000 0.820 775 S CB 0.372 63.555 63.200 -0.029 0.000 0.834 775 S HN 0.480 nan 8.310 nan 0.000 0.622 776 D N 0.787 121.174 120.400 -0.021 0.000 2.696 776 D HA 0.535 5.176 4.640 0.001 0.000 0.269 776 D C 0.912 177.203 176.300 -0.014 0.000 1.319 776 D CA 0.572 54.562 54.000 -0.017 0.000 0.826 776 D CB 0.515 41.306 40.800 -0.014 0.000 1.086 776 D HN 0.666 nan 8.370 nan 0.000 0.481 777 G N -0.165 108.624 108.800 -0.018 0.000 2.307 777 G HA2 -0.231 3.730 3.960 0.001 0.000 0.210 777 G HA3 -0.231 3.730 3.960 0.001 0.000 0.210 777 G C 0.905 175.793 174.900 -0.019 0.000 1.005 777 G CA -0.137 44.953 45.100 -0.016 0.000 0.634 777 G HN 0.632 nan 8.290 nan 0.000 0.496 778 R N 0.251 120.739 120.500 -0.020 0.000 2.343 778 R HA 0.686 5.027 4.340 0.001 0.000 0.326 778 R C 0.210 176.479 176.300 -0.052 0.000 1.055 778 R CA 0.453 56.540 56.100 -0.021 0.000 0.961 778 R CB -0.003 30.290 30.300 -0.012 0.000 0.978 778 R HN 1.327 nan 8.270 nan 0.000 0.443 779 I N 2.817 123.337 120.570 -0.083 0.000 2.301 779 I HA 0.216 4.386 4.170 0.001 0.000 0.292 779 I C -0.758 175.175 176.117 -0.306 0.000 1.046 779 I CA -1.375 59.799 61.300 -0.209 0.000 1.282 779 I CB 1.142 38.983 38.000 -0.265 0.000 1.409 779 I HN 0.724 nan 8.210 nan 0.000 0.484 780 N N 5.839 124.409 118.700 -0.216 0.000 2.500 780 N HA 0.257 4.998 4.740 0.001 0.000 0.236 780 N C -0.638 174.783 175.510 -0.149 0.000 1.022 780 N CA -0.435 52.550 53.050 -0.108 0.000 0.935 780 N CB 0.030 38.502 38.487 -0.025 0.000 1.147 780 N HN 0.532 nan 8.380 nan 0.000 0.512 781 H N 0.616 119.699 119.070 0.022 0.000 2.660 781 H HA 0.429 4.985 4.556 0.001 0.000 0.374 781 H C 1.477 176.823 175.328 0.030 0.000 1.291 781 H CA 0.585 56.647 56.048 0.023 0.000 1.437 781 H CB 0.373 30.148 29.762 0.021 0.000 1.509 781 H HN 0.790 nan 8.280 nan 0.000 0.614 782 G N -1.008 107.883 108.800 0.151 0.000 2.341 782 G HA2 -0.310 3.650 3.960 0.001 0.000 0.292 782 G HA3 -0.310 3.650 3.960 0.001 0.000 0.292 782 G C 0.430 175.380 174.900 0.083 0.000 1.021 782 G CA 0.454 45.615 45.100 0.102 0.000 0.905 782 G HN 0.896 nan 8.290 nan 0.000 0.508 783 R N 0.159 120.696 120.500 0.063 0.000 2.345 783 R HA 0.627 4.967 4.340 0.001 0.000 0.331 783 R C 0.783 177.125 176.300 0.070 0.000 1.067 783 R CA 0.253 56.391 56.100 0.064 0.000 0.962 783 R CB -0.083 30.236 30.300 0.032 0.000 0.987 783 R HN 0.727 nan 8.270 nan 0.000 0.451 784 I N 2.353 122.984 120.570 0.101 0.000 2.618 784 I HA 0.204 4.375 4.170 0.001 0.000 0.284 784 I C 1.304 177.420 176.117 -0.001 0.000 1.146 784 I CA 0.104 61.426 61.300 0.036 0.000 1.425 784 I CB 1.129 39.141 38.000 0.019 0.000 1.383 784 I HN 0.814 nan 8.210 nan 0.000 0.562 785 A N 6.990 129.747 122.820 -0.104 0.000 2.386 785 A HA 0.514 4.835 4.320 0.001 0.000 0.248 785 A C -0.997 176.393 177.584 -0.323 0.000 1.082 785 A CA 0.149 52.117 52.037 -0.114 0.000 0.789 785 A CB 0.219 19.106 19.000 -0.189 0.000 1.025 785 A HN 0.609 nan 8.150 nan 0.000 0.490 786 Y N -0.141 120.138 120.300 -0.034 0.000 2.492 786 Y HA 0.487 5.038 4.550 0.001 0.000 0.346 786 Y C 0.419 176.295 175.900 -0.039 0.000 0.997 786 Y CA -0.663 57.421 58.100 -0.026 0.000 1.025 786 Y CB 1.710 40.148 38.460 -0.037 0.000 1.263 786 Y HN 0.806 nan 8.280 nan 0.000 0.454 787 I N -0.663 119.966 120.570 0.099 0.000 3.210 787 I HA 0.860 5.031 4.170 0.001 0.000 0.316 787 I C -0.252 175.893 176.117 0.046 0.000 1.067 787 I CA -0.706 60.625 61.300 0.052 0.000 1.047 787 I CB 1.922 39.952 38.000 0.051 0.000 1.352 787 I HN 0.468 nan 8.210 nan 0.000 0.565 788 S N 1.330 117.045 115.700 0.024 0.000 2.626 788 S HA 0.277 4.748 4.470 0.001 0.000 0.275 788 S C -0.760 173.843 174.600 0.006 0.000 1.175 788 S CA -0.536 57.663 58.200 -0.002 0.000 0.982 788 S CB 1.224 64.417 63.200 -0.012 0.000 1.093 788 S HN 0.888 nan 8.310 nan 0.000 0.472 789 S N 3.345 119.027 115.700 -0.029 0.000 2.533 789 S HA 0.246 4.716 4.470 0.001 0.000 0.282 789 S C 1.058 175.664 174.600 0.010 0.000 1.304 789 S CA -0.040 58.161 58.200 0.002 0.000 1.063 789 S CB 0.347 63.455 63.200 -0.152 0.000 0.881 789 S HN 0.759 nan 8.310 nan 0.000 0.493 790 K N 2.367 122.809 120.400 0.069 0.000 2.365 790 K HA 0.009 4.330 4.320 0.001 0.000 0.197 790 K C 1.692 178.325 176.600 0.054 0.000 1.042 790 K CA 0.871 57.193 56.287 0.059 0.000 0.987 790 K CB 0.059 32.615 32.500 0.093 0.000 0.779 790 K HN 0.707 nan 8.250 nan 0.000 0.484 791 S N -0.028 115.714 115.700 0.069 0.000 2.631 791 S HA 0.074 4.545 4.470 0.001 0.000 0.217 791 S C 0.584 175.177 174.600 -0.012 0.000 0.958 791 S CA -0.386 57.846 58.200 0.054 0.000 0.920 791 S CB -0.948 62.325 63.200 0.120 0.000 0.776 791 S HN 0.400 nan 8.310 nan 0.000 0.517 792 C N -0.001 119.264 119.300 -0.058 0.000 3.253 792 C HA 0.833 5.293 4.460 0.001 0.000 0.342 792 C C -0.998 173.923 174.990 -0.114 0.000 1.306 792 C CA -0.215 58.738 59.018 -0.107 0.000 1.207 792 C CB 1.086 28.711 27.740 -0.191 0.000 1.479 792 C HN 0.630 nan 8.230 nan 0.000 0.469 793 S N 1.279 116.907 115.700 -0.121 0.000 2.570 793 S HA 0.592 5.062 4.470 0.001 0.000 0.270 793 S C -1.640 172.886 174.600 -0.124 0.000 1.149 793 S CA -0.657 57.480 58.200 -0.106 0.000 0.837 793 S CB 1.144 64.303 63.200 -0.068 0.000 1.124 793 S HN 0.967 nan 8.310 nan 0.000 0.465 794 N N 2.256 120.902 118.700 -0.090 0.000 2.431 794 N HA 0.229 4.969 4.740 0.001 0.000 0.265 794 N C -1.782 173.704 175.510 -0.041 0.000 1.184 794 N CA -1.276 51.737 53.050 -0.061 0.000 0.943 794 N CB 0.586 39.091 38.487 0.031 0.000 1.080 794 N HN 0.437 nan 8.380 nan 0.000 0.477 795 P HA -0.192 nan 4.420 nan 0.000 0.218 795 P C -0.546 176.807 177.300 0.087 0.000 1.150 795 P CA 1.633 64.697 63.100 -0.060 0.000 0.841 795 P CB 0.305 31.887 31.700 -0.197 0.000 0.784 796 D N -7.145 113.376 120.400 0.201 0.000 2.893 796 D HA 0.244 4.885 4.640 0.001 0.000 0.346 796 D C 1.024 177.426 176.300 0.170 0.000 1.402 796 D CA -0.061 54.038 54.000 0.164 0.000 0.815 796 D CB -0.463 40.431 40.800 0.156 0.000 1.403 796 D HN -0.153 nan 8.370 nan 0.000 0.484 797 E N -0.190 120.065 120.200 0.092 0.000 2.187 797 E HA -0.169 4.182 4.350 0.001 0.000 0.199 797 E C 1.557 178.190 176.600 0.054 0.000 1.004 797 E CA 2.188 58.619 56.400 0.052 0.000 0.813 797 E CB -1.008 28.701 29.700 0.015 0.000 0.736 797 E HN 0.640 nan 8.360 nan 0.000 0.468 798 S N -1.681 114.057 115.700 0.064 0.000 2.710 798 S HA 0.361 4.832 4.470 0.001 0.000 0.224 798 S C -0.213 174.336 174.600 -0.084 0.000 0.948 798 S CA -0.454 57.757 58.200 0.019 0.000 0.949 798 S CB -0.635 62.528 63.200 -0.061 0.000 0.778 798 S HN 0.472 nan 8.310 nan 0.000 0.498 799 Y N 0.151 120.533 120.300 0.136 0.000 2.442 799 Y HA 0.681 5.232 4.550 0.001 0.000 0.344 799 Y C 0.660 176.547 175.900 -0.021 0.000 0.976 799 Y CA -0.776 57.354 58.100 0.050 0.000 1.040 799 Y CB 2.119 40.594 38.460 0.026 0.000 1.228 799 Y HN 0.246 nan 8.280 nan 0.000 0.451 800 G N 0.431 109.285 108.800 0.089 0.000 2.818 800 G HA2 0.692 4.652 3.960 0.001 0.000 0.286 800 G HA3 0.692 4.652 3.960 0.001 0.000 0.286 800 G C -1.483 173.378 174.900 -0.065 0.000 1.364 800 G CA -0.901 44.187 45.100 -0.020 0.000 0.938 800 G HN 0.941 nan 8.290 nan 0.000 0.490 801 C N -0.977 118.244 119.300 -0.132 0.000 3.170 801 C HA 0.576 5.036 4.460 0.001 0.000 0.319 801 C C 1.428 176.292 174.990 -0.209 0.000 1.260 801 C CA -0.854 58.068 59.018 -0.159 0.000 1.374 801 C CB 0.510 28.154 27.740 -0.160 0.000 1.739 801 C HN 0.706 nan 8.230 nan 0.000 0.479 802 L N 2.043 123.149 121.223 -0.194 0.000 2.191 802 L HA -0.111 4.229 4.340 0.001 0.000 0.212 802 L C 2.702 179.478 176.870 -0.157 0.000 1.103 802 L CA 2.029 56.733 54.840 -0.226 0.000 0.769 802 L CB -0.445 41.555 42.059 -0.099 0.000 0.908 802 L HN 1.009 nan 8.230 nan 0.000 0.438 803 S N -1.791 113.850 115.700 -0.099 0.000 2.469 803 S HA -0.108 4.362 4.470 0.001 0.000 0.238 803 S C 1.817 176.446 174.600 0.047 0.000 0.998 803 S CA 1.147 59.338 58.200 -0.015 0.000 0.957 803 S CB -0.185 63.002 63.200 -0.023 0.000 0.764 803 S HN 0.323 nan 8.310 nan 0.000 0.514 804 S N 1.711 117.360 115.700 -0.086 0.000 2.524 804 S HA 0.220 4.691 4.470 0.001 0.000 0.216 804 S C 1.153 175.599 174.600 -0.257 0.000 0.987 804 S CA -0.097 57.996 58.200 -0.178 0.000 0.909 804 S CB -0.194 62.871 63.200 -0.226 0.000 0.781 804 S HN 0.720 nan 8.310 nan 0.000 0.521 805 N N 0.198 118.766 118.700 -0.221 0.000 2.227 805 N HA 0.316 5.057 4.740 0.001 0.000 0.196 805 N C -0.539 175.028 175.510 0.096 0.000 1.142 805 N CA 0.235 53.115 53.050 -0.283 0.000 0.887 805 N CB 0.918 38.748 38.487 -1.096 0.000 1.022 805 N HN 0.233 nan 8.380 nan 0.000 0.500 806 I N 2.713 123.383 120.570 0.166 0.000 2.439 806 I HA 0.324 4.495 4.170 0.001 0.000 0.285 806 I C -2.426 173.724 176.117 0.055 0.000 1.021 806 I CA -2.380 59.023 61.300 0.172 0.000 1.091 806 I CB 2.100 40.171 38.000 0.118 0.000 1.242 806 I HN -0.267 nan 8.210 nan 0.000 0.439 807 P HA -0.060 nan 4.420 nan 0.000 0.266 807 P C 0.650 177.807 177.300 -0.238 0.000 1.193 807 P CA 0.123 62.894 63.100 -0.548 0.000 0.770 807 P CB 1.006 32.480 31.700 -0.376 0.000 0.836 808 A N 3.236 125.919 122.820 -0.228 0.000 1.927 808 A HA -0.238 4.083 4.320 0.001 0.000 0.220 808 A C 2.059 179.720 177.584 0.129 0.000 1.185 808 A CA 1.957 53.998 52.037 0.007 0.000 0.639 808 A CB -1.520 17.523 19.000 0.072 0.000 0.820 808 A HN 0.559 nan 8.150 nan 0.000 0.451 809 L N -0.125 121.207 121.223 0.181 0.000 2.046 809 L HA -0.172 4.168 4.340 0.001 0.000 0.208 809 L C 2.213 179.146 176.870 0.105 0.000 1.077 809 L CA 2.529 57.459 54.840 0.150 0.000 0.747 809 L CB -0.529 41.628 42.059 0.163 0.000 0.896 809 L HN 0.542 nan 8.230 nan 0.000 0.432 810 E N -0.865 119.354 120.200 0.031 0.000 2.107 810 E HA -0.159 4.191 4.350 0.001 0.000 0.191 810 E C 2.279 178.822 176.600 -0.094 0.000 0.982 810 E CA 1.085 57.477 56.400 -0.013 0.000 0.809 810 E CB -0.147 29.560 29.700 0.011 0.000 0.756 810 E HN 0.492 nan 8.360 nan 0.000 0.459 811 L N 0.405 121.538 121.223 -0.150 0.000 2.109 811 L HA -0.081 4.259 4.340 0.001 0.000 0.207 811 L C 2.594 179.075 176.870 -0.649 0.000 1.086 811 L CA 0.766 55.373 54.840 -0.388 0.000 0.760 811 L CB -0.221 41.632 42.059 -0.344 0.000 0.910 811 L HN 0.255 nan 8.230 nan 0.000 0.437 812 M N -0.260 119.175 119.600 -0.275 0.000 2.229 812 M HA -0.164 4.317 4.480 0.001 0.000 0.264 812 M C 2.246 178.659 176.300 0.188 0.000 1.063 812 M CA 1.794 57.069 55.300 -0.043 0.000 1.114 812 M CB -0.036 32.636 32.600 0.120 0.000 1.387 812 M HN 0.217 nan 8.290 nan 0.000 0.420 813 A N 0.274 123.125 122.820 0.051 0.000 1.930 813 A HA -0.125 4.196 4.320 0.001 0.000 0.217 813 A C 1.958 179.451 177.584 -0.151 0.000 1.175 813 A CA 1.313 53.171 52.037 -0.299 0.000 0.627 813 A CB -0.833 17.876 19.000 -0.486 0.000 0.815 813 A HN 0.567 nan 8.150 nan 0.000 0.443 814 L N -0.975 120.166 121.223 -0.136 0.000 2.027 814 L HA -0.129 4.212 4.340 0.001 0.000 0.206 814 L C 2.376 179.332 176.870 0.144 0.000 1.074 814 L CA 1.838 56.646 54.840 -0.053 0.000 0.745 814 L CB -0.817 41.187 42.059 -0.092 0.000 0.898 814 L HN 0.565 nan 8.230 nan 0.000 0.433 815 Y N -1.692 118.680 120.300 0.120 0.000 2.070 815 Y HA -0.283 4.268 4.550 0.001 0.000 0.280 815 Y C 2.521 178.519 175.900 0.164 0.000 1.148 815 Y CA 0.940 59.138 58.100 0.164 0.000 1.125 815 Y CB -0.648 37.982 38.460 0.284 0.000 0.975 815 Y HN -0.035 nan 8.280 nan 0.000 0.492 816 V N 0.325 120.500 119.914 0.436 0.000 2.370 816 V HA -0.401 3.719 4.120 0.001 0.000 0.252 816 V C 2.474 178.701 176.094 0.222 0.000 1.068 816 V CA 1.791 64.317 62.300 0.377 0.000 1.061 816 V CB -1.255 30.879 31.823 0.519 0.000 0.656 816 V HN 0.520 nan 8.190 nan 0.000 0.455 817 A N -0.209 122.687 122.820 0.127 0.000 1.873 817 A HA -0.059 4.262 4.320 0.001 0.000 0.215 817 A C 2.466 180.115 177.584 0.108 0.000 1.186 817 A CA 1.932 54.014 52.037 0.075 0.000 0.616 817 A CB -0.809 18.191 19.000 0.000 0.000 0.823 817 A HN 0.579 nan 8.150 nan 0.000 0.442 818 A N 0.096 122.950 122.820 0.057 0.000 1.892 818 A HA 0.058 4.378 4.320 0.001 0.000 0.218 818 A C 2.519 180.216 177.584 0.188 0.000 1.188 818 A CA 2.424 54.434 52.037 -0.044 0.000 0.631 818 A CB -1.152 17.821 19.000 -0.046 0.000 0.822 818 A HN 1.167 nan 8.150 nan 0.000 0.447 819 A N -0.084 122.831 122.820 0.158 0.000 1.978 819 A HA -0.107 4.213 4.320 0.001 0.000 0.220 819 A C 2.100 179.856 177.584 0.287 0.000 1.170 819 A CA 1.977 54.111 52.037 0.162 0.000 0.636 819 A CB -0.617 18.460 19.000 0.128 0.000 0.810 819 A HN 0.761 nan 8.150 nan 0.000 0.448 820 M N -1.267 118.500 119.600 0.278 0.000 2.313 820 M HA 0.190 4.671 4.480 0.001 0.000 0.273 820 M C 1.406 177.829 176.300 0.205 0.000 1.049 820 M CA 0.421 55.856 55.300 0.225 0.000 1.004 820 M CB -0.302 32.309 32.600 0.019 0.000 1.461 820 M HN 0.524 nan 8.290 nan 0.000 0.514 821 H N -0.015 119.117 119.070 0.104 0.000 2.518 821 H HA -0.028 4.528 4.556 0.001 0.000 0.292 821 H C -0.022 175.199 175.328 -0.180 0.000 1.068 821 H CA 1.312 57.388 56.048 0.046 0.000 1.275 821 H CB -0.324 29.469 29.762 0.052 0.000 1.375 821 H HN 0.405 nan 8.280 nan 0.000 0.563 822 D N -0.332 119.645 120.400 -0.705 0.000 2.563 822 D HA -0.004 4.637 4.640 0.001 0.000 0.237 822 D C -0.344 175.357 176.300 -0.997 0.000 1.282 822 D CA -0.556 52.796 54.000 -1.081 0.000 0.816 822 D CB -0.340 40.230 40.800 -0.383 0.000 1.066 822 D HN 0.231 nan 8.370 nan 0.000 0.501 823 Y N 2.583 122.306 120.300 -0.962 0.000 2.969 823 Y HA -0.129 4.421 4.550 0.001 0.000 0.339 823 Y C 0.761 176.434 175.900 -0.379 0.000 1.272 823 Y CA 0.475 57.997 58.100 -0.963 0.000 1.577 823 Y CB 0.234 38.456 38.460 -0.396 0.000 1.234 823 Y HN 0.051 nan 8.280 nan 0.000 0.590 824 D N 2.874 122.684 120.400 -0.982 0.000 2.689 824 D HA -0.306 4.334 4.640 0.001 0.000 0.237 824 D C -0.843 175.458 176.300 0.002 0.000 1.148 824 D CA 0.910 54.640 54.000 -0.450 0.000 0.656 824 D CB -1.436 39.148 40.800 -0.360 0.000 1.050 824 D HN 0.699 nan 8.370 nan 0.000 0.426 825 H N -0.060 118.963 119.070 -0.078 0.000 2.683 825 H HA 0.212 4.769 4.556 0.001 0.000 0.339 825 H C -1.525 173.824 175.328 0.035 0.000 1.081 825 H CA -0.921 55.181 56.048 0.089 0.000 1.432 825 H CB 1.541 31.318 29.762 0.026 0.000 1.462 825 H HN 0.146 nan 8.280 nan 0.000 0.557 826 P HA 0.083 nan 4.420 nan 0.000 0.235 826 P C 0.558 177.962 177.300 0.174 0.000 1.177 826 P CA 1.317 64.460 63.100 0.073 0.000 0.785 826 P CB 0.799 32.477 31.700 -0.036 0.000 0.885 827 G N -0.140 108.929 108.800 0.449 0.000 2.141 827 G HA2 -0.214 3.747 3.960 0.001 0.000 0.231 827 G HA3 -0.214 3.747 3.960 0.001 0.000 0.231 827 G C 0.103 175.115 174.900 0.187 0.000 0.984 827 G CA -0.201 45.101 45.100 0.338 0.000 0.660 827 G HN 0.421 nan 8.290 nan 0.000 0.525 828 R N 0.061 120.627 120.500 0.109 0.000 2.892 828 R HA 0.780 5.120 4.340 0.001 0.000 0.265 828 R C 0.952 177.283 176.300 0.052 0.000 1.025 828 R CA 0.257 56.314 56.100 -0.072 0.000 0.982 828 R CB 1.086 31.215 30.300 -0.285 0.000 1.185 828 R HN 0.330 nan 8.270 nan 0.000 0.484 829 T N -1.202 113.386 114.554 0.056 0.000 2.862 829 T HA 0.228 4.579 4.350 0.001 0.000 0.276 829 T C 0.793 175.562 174.700 0.114 0.000 0.974 829 T CA -0.705 61.454 62.100 0.099 0.000 0.966 829 T CB 0.793 69.708 68.868 0.078 0.000 1.072 829 T HN 0.397 nan 8.240 nan 0.000 0.538 830 N N 0.588 119.338 118.700 0.084 0.000 2.084 830 N HA -0.079 4.661 4.740 0.001 0.000 0.190 830 N C 2.274 177.836 175.510 0.087 0.000 1.030 830 N CA 1.598 54.688 53.050 0.068 0.000 0.849 830 N CB -1.111 37.410 38.487 0.057 0.000 1.012 830 N HN 0.823 nan 8.380 nan 0.000 0.423 831 A N 0.762 123.637 122.820 0.092 0.000 1.917 831 A HA -0.183 4.138 4.320 0.001 0.000 0.219 831 A C 2.123 179.761 177.584 0.090 0.000 1.182 831 A CA 1.146 53.228 52.037 0.076 0.000 0.633 831 A CB -0.991 18.051 19.000 0.070 0.000 0.819 831 A HN 0.298 nan 8.150 nan 0.000 0.448 832 F N 0.536 120.477 119.950 -0.014 0.000 1.997 832 F HA -0.199 4.328 4.527 0.001 0.000 0.296 832 F C 2.039 177.831 175.800 -0.014 0.000 1.160 832 F CA 2.121 60.111 58.000 -0.016 0.000 1.176 832 F CB -0.691 38.301 39.000 -0.014 0.000 0.964 832 F HN 0.156 nan 8.300 nan 0.000 0.484 833 L N -0.090 121.255 121.223 0.203 0.000 2.085 833 L HA -0.350 3.990 4.340 0.001 0.000 0.218 833 L C 2.309 179.144 176.870 -0.058 0.000 1.080 833 L CA 1.578 56.449 54.840 0.052 0.000 0.776 833 L CB -1.207 40.906 42.059 0.091 0.000 0.891 833 L HN 0.161 nan 8.230 nan 0.000 0.437 834 V N -0.377 119.520 119.914 -0.028 0.000 2.407 834 V HA -0.273 3.848 4.120 0.001 0.000 0.248 834 V C 2.622 178.666 176.094 -0.083 0.000 1.055 834 V CA 1.841 64.120 62.300 -0.035 0.000 1.049 834 V CB -0.732 31.090 31.823 -0.003 0.000 0.662 834 V HN 0.517 nan 8.190 nan 0.000 0.455 835 A N 0.415 123.152 122.820 -0.138 0.000 1.930 835 A HA -0.124 4.196 4.320 0.001 0.000 0.215 835 A C 2.272 179.713 177.584 -0.238 0.000 1.176 835 A CA 1.772 53.705 52.037 -0.172 0.000 0.632 835 A CB -0.695 18.196 19.000 -0.181 0.000 0.819 835 A HN 0.592 nan 8.150 nan 0.000 0.445 836 T N -2.763 111.563 114.554 -0.380 0.000 3.219 836 T HA 0.070 4.420 4.350 0.001 0.000 0.249 836 T C 0.291 174.877 174.700 -0.189 0.000 1.099 836 T CA 0.205 62.097 62.100 -0.347 0.000 0.988 836 T CB -0.703 67.829 68.868 -0.561 0.000 0.999 836 T HN 0.410 nan 8.240 nan 0.000 0.550 837 N N 1.571 120.187 118.700 -0.141 0.000 2.707 837 N HA -0.152 4.588 4.740 0.001 0.000 0.253 837 N C 0.215 175.685 175.510 -0.067 0.000 0.998 837 N CA 0.840 53.841 53.050 -0.082 0.000 0.751 837 N CB -1.589 36.859 38.487 -0.065 0.000 0.920 837 N HN 0.903 nan 8.380 nan 0.000 0.539 838 A N 0.861 123.639 122.820 -0.069 0.000 2.498 838 A HA 0.257 4.577 4.320 0.001 0.000 0.239 838 A C -0.055 177.514 177.584 -0.026 0.000 1.068 838 A CA -0.677 51.338 52.037 -0.037 0.000 0.766 838 A CB 0.374 19.368 19.000 -0.009 0.000 1.003 838 A HN 0.118 nan 8.150 nan 0.000 0.497 839 P HA -0.259 nan 4.420 nan 0.000 0.216 839 P C 1.094 178.376 177.300 -0.030 0.000 1.157 839 P CA 1.664 64.746 63.100 -0.029 0.000 0.880 839 P CB 0.008 31.692 31.700 -0.028 0.000 0.791 840 Q N -0.744 119.043 119.800 -0.023 0.000 2.308 840 Q HA -0.123 4.218 4.340 0.001 0.000 0.209 840 Q C 2.208 178.260 176.000 0.087 0.000 0.985 840 Q CA 1.579 57.390 55.803 0.014 0.000 0.881 840 Q CB -0.451 28.275 28.738 -0.020 0.000 0.917 840 Q HN 0.284 nan 8.270 nan 0.000 0.443 841 A N -0.326 122.522 122.820 0.046 0.000 2.021 841 A HA -0.021 4.299 4.320 0.001 0.000 0.216 841 A C 2.169 179.778 177.584 0.042 0.000 1.163 841 A CA 0.443 52.521 52.037 0.067 0.000 0.676 841 A CB -0.009 19.008 19.000 0.029 0.000 0.818 841 A HN 0.176 nan 8.150 nan 0.000 0.453 842 V N -0.092 119.821 119.914 -0.001 0.000 2.307 842 V HA -0.210 3.911 4.120 0.001 0.000 0.245 842 V C 2.430 178.495 176.094 -0.049 0.000 1.045 842 V CA 1.782 64.070 62.300 -0.021 0.000 1.024 842 V CB -0.880 30.923 31.823 -0.033 0.000 0.651 842 V HN 0.555 nan 8.190 nan 0.000 0.449 843 L N -0.162 120.997 121.223 -0.107 0.000 2.013 843 L HA -0.214 4.127 4.340 0.001 0.000 0.212 843 L C 1.981 178.650 176.870 -0.334 0.000 1.073 843 L CA 2.164 56.844 54.840 -0.266 0.000 0.753 843 L CB -0.642 41.165 42.059 -0.420 0.000 0.890 843 L HN 0.437 nan 8.230 nan 0.000 0.432 844 Y N 0.185 120.491 120.300 0.011 0.000 2.532 844 Y HA 0.185 4.736 4.550 0.001 0.000 0.283 844 Y C 0.775 176.684 175.900 0.015 0.000 1.181 844 Y CA -0.350 57.761 58.100 0.018 0.000 1.256 844 Y CB -0.310 38.162 38.460 0.019 0.000 1.112 844 Y HN 0.270 nan 8.280 nan 0.000 0.521 845 N N 1.373 120.130 118.700 0.096 0.000 2.716 845 N HA -0.260 4.481 4.740 0.001 0.000 0.250 845 N C -0.725 174.830 175.510 0.076 0.000 1.033 845 N CA 1.514 54.604 53.050 0.066 0.000 0.727 845 N CB -1.162 37.359 38.487 0.058 0.000 0.950 845 N HN 0.576 nan 8.380 nan 0.000 0.541 846 D N -2.650 117.801 120.400 0.084 0.000 3.059 846 D HA -0.211 4.430 4.640 0.001 0.000 0.220 846 D C 0.121 176.464 176.300 0.072 0.000 1.169 846 D CA 1.094 55.134 54.000 0.067 0.000 0.902 846 D CB -0.988 39.837 40.800 0.042 0.000 1.116 846 D HN 0.576 nan 8.370 nan 0.000 0.417 847 R N -0.023 120.534 120.500 0.097 0.000 2.338 847 R HA 0.415 4.756 4.340 0.001 0.000 0.317 847 R C 0.626 176.950 176.300 0.039 0.000 0.968 847 R CA -0.322 55.823 56.100 0.075 0.000 0.849 847 R CB 1.170 31.522 30.300 0.086 0.000 1.128 847 R HN -0.113 nan 8.270 nan 0.000 0.448 848 S N 1.316 117.030 115.700 0.024 0.000 3.311 848 S HA -0.170 4.301 4.470 0.001 0.000 0.373 848 S C 1.639 176.174 174.600 -0.108 0.000 0.945 848 S CA 0.448 58.640 58.200 -0.013 0.000 1.238 848 S CB -1.272 61.925 63.200 -0.004 0.000 0.893 848 S HN 0.532 nan 8.310 nan 0.000 0.478 849 V N 0.412 120.289 119.914 -0.062 0.000 2.252 849 V HA -0.328 3.793 4.120 0.001 0.000 0.255 849 V C 2.230 178.185 176.094 -0.232 0.000 1.071 849 V CA 2.671 64.917 62.300 -0.090 0.000 1.050 849 V CB -0.594 31.241 31.823 0.019 0.000 0.654 849 V HN 0.681 nan 8.190 nan 0.000 0.448 850 L N -0.805 120.296 121.223 -0.204 0.000 2.005 850 L HA -0.177 4.164 4.340 0.001 0.000 0.207 850 L C 2.682 179.235 176.870 -0.528 0.000 1.072 850 L CA 1.682 56.303 54.840 -0.365 0.000 0.744 850 L CB -0.562 41.337 42.059 -0.266 0.000 0.895 850 L HN 0.325 nan 8.230 nan 0.000 0.433 851 E N 0.117 120.191 120.200 -0.209 0.000 2.085 851 E HA -0.201 4.150 4.350 0.001 0.000 0.194 851 E C 1.962 178.472 176.600 -0.150 0.000 0.994 851 E CA 1.059 57.434 56.400 -0.041 0.000 0.801 851 E CB -0.262 29.474 29.700 0.061 0.000 0.743 851 E HN 0.340 nan 8.360 nan 0.000 0.453 852 N N -0.036 118.473 118.700 -0.319 0.000 2.104 852 N HA -0.198 4.543 4.740 0.001 0.000 0.190 852 N C 1.800 177.083 175.510 -0.379 0.000 1.024 852 N CA 1.377 54.143 53.050 -0.474 0.000 0.853 852 N CB -0.383 37.446 38.487 -1.098 0.000 1.008 852 N HN 0.298 nan 8.380 nan 0.000 0.424 853 H N 0.569 119.339 119.070 -0.500 0.000 2.389 853 H HA -0.040 4.516 4.556 0.001 0.000 0.299 853 H C 1.797 177.097 175.328 -0.046 0.000 1.081 853 H CA 1.656 57.592 56.048 -0.187 0.000 1.345 853 H CB -0.012 29.623 29.762 -0.211 0.000 1.393 853 H HN 0.303 nan 8.280 nan 0.000 0.520 854 H N -0.351 118.700 119.070 -0.030 0.000 2.293 854 H HA -0.016 4.541 4.556 0.001 0.000 0.300 854 H C 2.385 177.699 175.328 -0.025 0.000 1.082 854 H CA 1.383 57.415 56.048 -0.028 0.000 1.308 854 H CB -0.938 28.844 29.762 0.033 0.000 1.375 854 H HN 0.532 nan 8.280 nan 0.000 0.495 855 A N 1.480 124.384 122.820 0.141 0.000 1.845 855 A HA -0.123 4.198 4.320 0.001 0.000 0.215 855 A C 2.752 180.463 177.584 0.211 0.000 1.195 855 A CA 2.269 54.413 52.037 0.178 0.000 0.616 855 A CB -1.163 17.952 19.000 0.193 0.000 0.832 855 A HN 0.448 nan 8.150 nan 0.000 0.443 856 A N -0.409 122.506 122.820 0.158 0.000 1.884 856 A HA -0.176 4.145 4.320 0.001 0.000 0.219 856 A C 2.467 180.138 177.584 0.146 0.000 1.197 856 A CA 2.564 54.717 52.037 0.193 0.000 0.637 856 A CB -1.121 18.019 19.000 0.234 0.000 0.827 856 A HN 0.520 nan 8.150 nan 0.000 0.450 857 S N -0.216 115.487 115.700 0.005 0.000 2.383 857 S HA 0.021 4.491 4.470 0.001 0.000 0.227 857 S C 2.273 176.812 174.600 -0.102 0.000 1.026 857 S CA 1.137 59.329 58.200 -0.014 0.000 0.981 857 S CB -0.489 62.658 63.200 -0.088 0.000 0.818 857 S HN 0.828 nan 8.310 nan 0.000 0.472 858 A N 0.617 123.298 122.820 -0.231 0.000 1.898 858 A HA -0.076 4.245 4.320 0.001 0.000 0.216 858 A C 1.867 179.343 177.584 -0.179 0.000 1.181 858 A CA 1.081 52.856 52.037 -0.435 0.000 0.620 858 A CB -0.989 17.755 19.000 -0.427 0.000 0.819 858 A HN 0.662 nan 8.150 nan 0.000 0.442 859 W N -0.035 121.288 121.300 0.037 0.000 2.381 859 W HA -0.122 4.539 4.660 0.001 0.000 0.301 859 W C 2.272 178.886 176.519 0.158 0.000 1.205 859 W CA 1.176 58.575 57.345 0.090 0.000 1.285 859 W CB -0.259 29.227 29.460 0.044 0.000 1.133 859 W HN 0.568 nan 8.180 nan 0.000 0.521 860 N N 0.690 119.587 118.700 0.328 0.000 2.149 860 N HA -0.226 4.515 4.740 0.001 0.000 0.188 860 N C 1.639 177.298 175.510 0.249 0.000 1.019 860 N CA 1.671 54.875 53.050 0.257 0.000 0.857 860 N CB -0.441 38.161 38.487 0.192 0.000 0.997 860 N HN 0.038 nan 8.380 nan 0.000 0.426 861 L N -0.376 120.976 121.223 0.215 0.000 2.005 861 L HA -0.085 4.256 4.340 0.001 0.000 0.207 861 L C 2.020 179.151 176.870 0.436 0.000 1.072 861 L CA 1.663 56.658 54.840 0.259 0.000 0.744 861 L CB -1.330 40.773 42.059 0.074 0.000 0.895 861 L HN 0.303 nan 8.230 nan 0.000 0.433 862 Y N 0.010 120.471 120.300 0.268 0.000 2.053 862 Y HA -0.296 4.254 4.550 0.001 0.000 0.277 862 Y C 2.225 178.257 175.900 0.220 0.000 1.159 862 Y CA 2.387 60.514 58.100 0.045 0.000 1.125 862 Y CB -0.383 37.888 38.460 -0.314 0.000 0.969 862 Y HN 0.205 nan 8.280 nan 0.000 0.492 863 L N 0.012 121.459 121.223 0.374 0.000 2.362 863 L HA -0.153 4.188 4.340 0.001 0.000 0.219 863 L C 2.641 179.574 176.870 0.105 0.000 1.134 863 L CA 1.123 56.102 54.840 0.232 0.000 0.807 863 L CB -0.884 41.353 42.059 0.297 0.000 0.927 863 L HN 0.365 nan 8.230 nan 0.000 0.447 864 S N 0.052 115.839 115.700 0.144 0.000 2.382 864 S HA -0.104 4.366 4.470 0.001 0.000 0.228 864 S C 1.074 175.641 174.600 -0.056 0.000 1.027 864 S CA 0.516 58.762 58.200 0.077 0.000 0.991 864 S CB -0.011 63.273 63.200 0.139 0.000 0.823 864 S HN 0.418 nan 8.310 nan 0.000 0.469 865 R N 0.699 121.080 120.500 -0.199 0.000 2.744 865 R HA 0.406 4.746 4.340 0.001 0.000 0.279 865 R C -2.386 173.685 176.300 -0.382 0.000 0.977 865 R CA -2.047 53.818 56.100 -0.392 0.000 0.906 865 R CB 1.674 31.533 30.300 -0.735 0.000 1.197 865 R HN 0.055 nan 8.270 nan 0.000 0.463 866 P HA -0.135 nan 4.420 nan 0.000 0.233 866 P C 0.157 177.357 177.300 -0.166 0.000 1.167 866 P CA 1.028 64.013 63.100 -0.191 0.000 0.770 866 P CB 0.423 32.047 31.700 -0.128 0.000 0.837 867 E N -0.670 119.388 120.200 -0.237 0.000 2.482 867 E HA -0.121 4.230 4.350 0.001 0.000 0.196 867 E C 1.238 177.914 176.600 0.125 0.000 1.047 867 E CA 0.565 56.913 56.400 -0.085 0.000 0.869 867 E CB -0.875 28.767 29.700 -0.098 0.000 0.836 867 E HN 0.515 nan 8.360 nan 0.000 0.520 868 Y N 0.869 121.135 120.300 -0.056 0.000 2.457 868 Y HA 0.142 4.692 4.550 0.001 0.000 0.263 868 Y C 1.033 176.810 175.900 -0.206 0.000 1.164 868 Y CA -0.643 57.418 58.100 -0.064 0.000 1.274 868 Y CB 0.290 38.659 38.460 -0.152 0.000 1.097 868 Y HN -0.013 nan 8.280 nan 0.000 0.523 869 N N 1.531 120.188 118.700 -0.073 0.000 2.421 869 N HA -0.008 4.733 4.740 0.001 0.000 0.260 869 N C -0.071 175.533 175.510 0.158 0.000 1.173 869 N CA -0.131 52.848 53.050 -0.119 0.000 0.960 869 N CB 0.078 38.497 38.487 -0.113 0.000 1.273 869 N HN 0.291 nan 8.380 nan 0.000 0.497 870 F N 2.391 122.497 119.950 0.260 0.000 2.706 870 F HA 0.355 4.882 4.527 0.001 0.000 0.313 870 F C 0.085 176.095 175.800 0.350 0.000 1.096 870 F CA -0.505 57.697 58.000 0.336 0.000 1.219 870 F CB 0.194 39.475 39.000 0.468 0.000 1.051 870 F HN 0.206 nan 8.300 nan 0.000 0.568 871 L N 2.435 123.592 121.223 -0.111 0.000 2.741 871 L HA 0.232 4.572 4.340 0.001 0.000 0.237 871 L C 2.081 179.001 176.870 0.084 0.000 1.178 871 L CA -0.107 54.703 54.840 -0.049 0.000 0.973 871 L CB 0.138 42.087 42.059 -0.183 0.000 1.255 871 L HN 0.397 nan 8.230 nan 0.000 0.498 872 L N -2.425 118.823 121.223 0.041 0.000 2.081 872 L HA -0.205 4.135 4.340 0.001 0.000 0.212 872 L C 1.640 178.426 176.870 -0.139 0.000 1.080 872 L CA 1.773 56.554 54.840 -0.098 0.000 0.754 872 L CB -0.839 41.099 42.059 -0.202 0.000 0.893 872 L HN 0.293 nan 8.230 nan 0.000 0.433 873 H N 0.326 119.473 119.070 0.128 0.000 2.547 873 H HA 0.377 4.934 4.556 0.001 0.000 0.274 873 H C 0.064 175.492 175.328 0.167 0.000 1.024 873 H CA -0.221 55.912 56.048 0.143 0.000 1.155 873 H CB -0.161 29.704 29.762 0.171 0.000 1.344 873 H HN 0.279 nan 8.280 nan 0.000 0.598 874 L N 1.934 123.283 121.223 0.210 0.000 2.307 874 L HA 0.185 4.526 4.340 0.001 0.000 0.282 874 L C 0.069 177.041 176.870 0.170 0.000 1.051 874 L CA -1.076 53.881 54.840 0.195 0.000 0.804 874 L CB 1.118 43.259 42.059 0.136 0.000 1.197 874 L HN 0.322 nan 8.230 nan 0.000 0.431 875 D N -0.762 119.738 120.400 0.166 0.000 2.377 875 D HA -0.045 4.595 4.640 0.001 0.000 0.245 875 D C 1.013 177.435 176.300 0.205 0.000 1.196 875 D CA -0.229 53.859 54.000 0.146 0.000 0.962 875 D CB 0.525 41.400 40.800 0.125 0.000 1.127 875 D HN 0.435 nan 8.370 nan 0.000 0.471 876 H N 0.089 119.191 119.070 0.054 0.000 2.357 876 H HA -0.142 4.414 4.556 0.001 0.000 0.296 876 H C 1.701 177.097 175.328 0.114 0.000 1.108 876 H CA 1.754 57.838 56.048 0.059 0.000 1.273 876 H CB -0.354 29.414 29.762 0.011 0.000 1.367 876 H HN 0.256 nan 8.280 nan 0.000 0.498 877 V N 0.410 120.379 119.914 0.091 0.000 2.270 877 V HA -0.219 3.902 4.120 0.001 0.000 0.245 877 V C 2.350 178.479 176.094 0.058 0.000 1.043 877 V CA 2.177 64.483 62.300 0.010 0.000 1.014 877 V CB -0.418 31.421 31.823 0.026 0.000 0.645 877 V HN 0.478 nan 8.190 nan 0.000 0.447 878 E N -0.775 119.493 120.200 0.114 0.000 2.085 878 E HA -0.276 4.075 4.350 0.001 0.000 0.194 878 E C 2.015 178.704 176.600 0.150 0.000 0.994 878 E CA 1.810 58.287 56.400 0.128 0.000 0.801 878 E CB -0.244 29.542 29.700 0.144 0.000 0.743 878 E HN 0.621 nan 8.360 nan 0.000 0.453 879 F N 1.709 121.683 119.950 0.039 0.000 2.134 879 F HA -0.171 4.356 4.527 0.001 0.000 0.299 879 F C 1.987 177.798 175.800 0.019 0.000 1.097 879 F CA 1.492 59.513 58.000 0.035 0.000 1.264 879 F CB 0.120 39.149 39.000 0.049 0.000 1.001 879 F HN -0.196 nan 8.300 nan 0.000 0.479 880 K N -0.186 120.296 120.400 0.136 0.000 2.148 880 K HA -0.197 4.124 4.320 0.001 0.000 0.204 880 K C 2.254 178.824 176.600 -0.049 0.000 1.050 880 K CA 1.401 57.673 56.287 -0.024 0.000 0.942 880 K CB -0.235 32.208 32.500 -0.095 0.000 0.724 880 K HN 0.238 nan 8.250 nan 0.000 0.446 881 R N 0.235 120.741 120.500 0.010 0.000 2.090 881 R HA -0.118 4.222 4.340 0.001 0.000 0.228 881 R C 2.081 178.438 176.300 0.096 0.000 1.110 881 R CA 1.045 57.183 56.100 0.064 0.000 0.973 881 R CB -0.254 30.088 30.300 0.071 0.000 0.869 881 R HN 0.104 nan 8.270 nan 0.000 0.440 882 F N 1.618 121.493 119.950 -0.124 0.000 2.075 882 F HA -0.144 4.384 4.527 0.001 0.000 0.297 882 F C 2.557 178.236 175.800 -0.202 0.000 1.113 882 F CA 1.922 59.822 58.000 -0.167 0.000 1.218 882 F CB -0.300 38.541 39.000 -0.265 0.000 0.984 882 F HN -0.072 nan 8.300 nan 0.000 0.472 883 R N -0.529 119.748 120.500 -0.371 0.000 2.096 883 R HA -0.241 4.099 4.340 0.001 0.000 0.235 883 R C 2.405 178.490 176.300 -0.359 0.000 1.127 883 R CA 1.921 57.628 56.100 -0.655 0.000 0.968 883 R CB -0.963 28.701 30.300 -1.060 0.000 0.861 883 R HN 0.410 nan 8.270 nan 0.000 0.440 884 F N 1.347 121.108 119.950 -0.315 0.000 2.102 884 F HA -0.136 4.392 4.527 0.001 0.000 0.298 884 F C 1.808 177.516 175.800 -0.154 0.000 1.105 884 F CA 1.408 59.291 58.000 -0.194 0.000 1.239 884 F CB -0.293 38.626 39.000 -0.135 0.000 0.991 884 F HN -0.023 nan 8.300 nan 0.000 0.474 885 L N -0.546 120.512 121.223 -0.275 0.000 2.083 885 L HA -0.201 4.140 4.340 0.001 0.000 0.209 885 L C 2.370 179.023 176.870 -0.362 0.000 1.083 885 L CA 1.002 55.630 54.840 -0.352 0.000 0.752 885 L CB -0.807 41.130 42.059 -0.203 0.000 0.899 885 L HN 0.049 nan 8.230 nan 0.000 0.433 886 V N 0.039 119.742 119.914 -0.352 0.000 2.427 886 V HA -0.259 3.862 4.120 0.001 0.000 0.248 886 V C 2.267 178.316 176.094 -0.074 0.000 1.051 886 V CA 1.572 63.755 62.300 -0.194 0.000 1.048 886 V CB -0.200 31.589 31.823 -0.056 0.000 0.666 886 V HN 0.319 nan 8.190 nan 0.000 0.456 887 I N -0.423 120.082 120.570 -0.109 0.000 2.252 887 I HA -0.139 4.031 4.170 0.001 0.000 0.245 887 I C 2.584 178.613 176.117 -0.147 0.000 1.102 887 I CA 1.113 62.371 61.300 -0.070 0.000 1.385 887 I CB -0.349 37.595 38.000 -0.094 0.000 1.064 887 I HN 0.285 nan 8.210 nan 0.000 0.414 888 E N 0.964 120.966 120.200 -0.329 0.000 2.153 888 E HA -0.179 4.172 4.350 0.001 0.000 0.194 888 E C 2.235 178.740 176.600 -0.158 0.000 0.988 888 E CA 1.372 57.603 56.400 -0.282 0.000 0.811 888 E CB -0.130 29.275 29.700 -0.491 0.000 0.746 888 E HN 0.516 nan 8.360 nan 0.000 0.466 889 A N 1.111 123.834 122.820 -0.162 0.000 1.874 889 A HA -0.035 4.285 4.320 0.001 0.000 0.214 889 A C 2.293 179.831 177.584 -0.077 0.000 1.189 889 A CA 0.534 52.490 52.037 -0.135 0.000 0.615 889 A CB -0.519 18.405 19.000 -0.125 0.000 0.830 889 A HN 0.121 nan 8.150 nan 0.000 0.443 890 I N -0.052 120.510 120.570 -0.014 0.000 2.264 890 I HA -0.270 3.900 4.170 0.001 0.000 0.248 890 I C 2.212 178.380 176.117 0.085 0.000 1.111 890 I CA 1.183 62.528 61.300 0.076 0.000 1.382 890 I CB -0.268 37.806 38.000 0.122 0.000 1.060 890 I HN 0.284 nan 8.210 nan 0.000 0.418 891 L N 0.237 121.489 121.223 0.047 0.000 2.291 891 L HA -0.074 4.266 4.340 0.001 0.000 0.214 891 L C 2.663 179.593 176.870 0.100 0.000 1.120 891 L CA 0.677 55.563 54.840 0.076 0.000 0.799 891 L CB -0.488 41.612 42.059 0.068 0.000 0.925 891 L HN 0.210 nan 8.230 nan 0.000 0.446 892 A N -0.112 122.703 122.820 -0.008 0.000 2.121 892 A HA -0.145 4.176 4.320 0.001 0.000 0.218 892 A C 2.218 179.719 177.584 -0.137 0.000 1.154 892 A CA 1.648 53.549 52.037 -0.227 0.000 0.679 892 A CB -0.696 17.926 19.000 -0.630 0.000 0.795 892 A HN 0.492 nan 8.150 nan 0.000 0.458 893 T N -2.297 112.258 114.554 0.003 0.000 3.160 893 T HA 0.021 4.372 4.350 0.001 0.000 0.257 893 T C 0.406 175.204 174.700 0.163 0.000 1.147 893 T CA 0.440 62.593 62.100 0.088 0.000 1.064 893 T CB -0.441 68.538 68.868 0.185 0.000 0.949 893 T HN 0.318 nan 8.240 nan 0.000 0.526 894 D N 1.181 121.681 120.400 0.167 0.000 2.338 894 D HA 0.130 4.770 4.640 0.001 0.000 0.255 894 D C 1.121 177.542 176.300 0.201 0.000 1.237 894 D CA -0.550 53.559 54.000 0.181 0.000 0.883 894 D CB 0.388 41.284 40.800 0.160 0.000 1.087 894 D HN 0.206 nan 8.370 nan 0.000 0.485 895 L N 3.286 124.627 121.223 0.198 0.000 2.349 895 L HA -0.162 4.179 4.340 0.001 0.000 0.220 895 L C 2.159 179.155 176.870 0.210 0.000 1.130 895 L CA 0.762 55.722 54.840 0.200 0.000 0.791 895 L CB -0.321 41.854 42.059 0.193 0.000 0.918 895 L HN 0.369 nan 8.230 nan 0.000 0.444 896 K N 1.179 121.699 120.400 0.201 0.000 2.209 896 K HA -0.150 4.171 4.320 0.001 0.000 0.204 896 K C 1.570 178.306 176.600 0.226 0.000 1.048 896 K CA 1.441 57.851 56.287 0.205 0.000 0.940 896 K CB 0.066 32.660 32.500 0.157 0.000 0.729 896 K HN 0.188 nan 8.250 nan 0.000 0.451 897 K N -1.079 119.460 120.400 0.231 0.000 2.387 897 K HA 0.001 4.321 4.320 0.001 0.000 0.198 897 K C 1.054 177.805 176.600 0.251 0.000 1.022 897 K CA 0.166 56.578 56.287 0.210 0.000 1.128 897 K CB 0.040 32.660 32.500 0.201 0.000 0.853 897 K HN 0.255 nan 8.250 nan 0.000 0.523 898 H N 0.871 120.002 119.070 0.102 0.000 2.292 898 H HA -0.206 4.350 4.556 0.001 0.000 0.292 898 H C 1.317 176.551 175.328 -0.156 0.000 1.100 898 H CA 2.235 58.221 56.048 -0.104 0.000 1.238 898 H CB -0.126 29.366 29.762 -0.449 0.000 1.355 898 H HN 0.171 nan 8.280 nan 0.000 0.484 899 F N 0.308 120.314 119.950 0.092 0.000 2.259 899 F HA -0.091 4.437 4.527 0.001 0.000 0.298 899 F C 2.412 178.207 175.800 -0.008 0.000 1.088 899 F CA 0.888 58.908 58.000 0.033 0.000 1.358 899 F CB -0.186 38.879 39.000 0.108 0.000 1.040 899 F HN 0.207 nan 8.300 nan 0.000 0.505 900 D N 0.356 120.831 120.400 0.125 0.000 2.087 900 D HA -0.195 4.445 4.640 0.001 0.000 0.192 900 D C 2.259 178.518 176.300 -0.067 0.000 0.993 900 D CA 1.589 55.572 54.000 -0.029 0.000 0.828 900 D CB -0.798 39.896 40.800 -0.177 0.000 0.968 900 D HN 0.223 nan 8.370 nan 0.000 0.448 901 F N 0.487 120.422 119.950 -0.025 0.000 2.126 901 F HA -0.189 4.339 4.527 0.001 0.000 0.299 901 F C 2.375 178.162 175.800 -0.021 0.000 1.096 901 F CA 0.401 58.379 58.000 -0.037 0.000 1.255 901 F CB -0.332 38.612 39.000 -0.094 0.000 0.997 901 F HN -0.039 nan 8.300 nan 0.000 0.479 902 L N 0.398 121.660 121.223 0.065 0.000 1.994 902 L HA -0.134 4.207 4.340 0.001 0.000 0.208 902 L C 2.462 179.429 176.870 0.162 0.000 1.071 902 L CA 1.951 56.823 54.840 0.054 0.000 0.745 902 L CB -1.266 40.732 42.059 -0.101 0.000 0.892 902 L HN 0.063 nan 8.230 nan 0.000 0.431 903 A N -0.699 122.195 122.820 0.124 0.000 1.859 903 A HA -0.336 3.985 4.320 0.001 0.000 0.217 903 A C 2.340 179.985 177.584 0.101 0.000 1.198 903 A CA 2.166 54.269 52.037 0.110 0.000 0.629 903 A CB -1.006 18.047 19.000 0.087 0.000 0.830 903 A HN 0.620 nan 8.150 nan 0.000 0.446 904 E N -1.548 118.710 120.200 0.097 0.000 2.085 904 E HA -0.227 4.124 4.350 0.001 0.000 0.194 904 E C 1.781 178.454 176.600 0.122 0.000 0.994 904 E CA 1.450 57.901 56.400 0.085 0.000 0.801 904 E CB -0.274 29.470 29.700 0.073 0.000 0.743 904 E HN 0.585 nan 8.360 nan 0.000 0.453 905 F N 2.122 122.099 119.950 0.044 0.000 2.046 905 F HA -0.264 4.264 4.527 0.001 0.000 0.297 905 F C 2.052 177.857 175.800 0.008 0.000 1.123 905 F CA 1.879 59.900 58.000 0.034 0.000 1.199 905 F CB -0.495 38.540 39.000 0.058 0.000 0.972 905 F HN 0.038 nan 8.300 nan 0.000 0.474 906 N N 0.733 119.493 118.700 0.100 0.000 2.137 906 N HA -0.233 4.508 4.740 0.001 0.000 0.190 906 N C 1.946 177.393 175.510 -0.105 0.000 1.017 906 N CA 1.489 54.525 53.050 -0.023 0.000 0.859 906 N CB -0.740 37.799 38.487 0.087 0.000 1.002 906 N HN 0.466 nan 8.380 nan 0.000 0.428 907 A N 2.048 124.832 122.820 -0.061 0.000 1.841 907 A HA -0.146 4.175 4.320 0.001 0.000 0.216 907 A C 2.175 179.682 177.584 -0.130 0.000 1.199 907 A CA 1.325 53.321 52.037 -0.069 0.000 0.621 907 A CB -0.450 18.528 19.000 -0.035 0.000 0.835 907 A HN 0.070 nan 8.150 nan 0.000 0.445 908 K N -0.603 119.698 120.400 -0.165 0.000 2.127 908 K HA -0.134 4.186 4.320 0.001 0.000 0.208 908 K C 1.312 177.741 176.600 -0.286 0.000 1.047 908 K CA 1.540 57.699 56.287 -0.213 0.000 0.927 908 K CB -0.401 31.962 32.500 -0.228 0.000 0.716 908 K HN 0.544 nan 8.250 nan 0.000 0.450 909 A N -0.443 122.142 122.820 -0.392 0.000 2.592 909 A HA 0.239 4.559 4.320 0.001 0.000 0.290 909 A C 0.670 178.091 177.584 -0.271 0.000 0.998 909 A CA -0.404 51.409 52.037 -0.374 0.000 0.983 909 A CB 0.380 19.058 19.000 -0.537 0.000 1.240 909 A HN 0.107 nan 8.150 nan 0.000 0.535 910 N N -0.428 118.156 118.700 -0.195 0.000 2.121 910 N HA 0.043 4.783 4.740 0.001 0.000 0.254 910 N C -0.849 174.625 175.510 -0.061 0.000 1.140 910 N CA 0.092 53.078 53.050 -0.107 0.000 0.785 910 N CB 0.202 38.645 38.487 -0.072 0.000 1.564 910 N HN 0.271 nan 8.380 nan 0.000 0.536 911 D N 1.490 121.855 120.400 -0.057 0.000 2.378 911 D HA -0.020 4.620 4.640 0.001 0.000 0.238 911 D C 2.018 178.297 176.300 -0.034 0.000 1.180 911 D CA 0.083 54.063 54.000 -0.032 0.000 0.895 911 D CB 1.053 41.837 40.800 -0.027 0.000 1.192 911 D HN 0.005 nan 8.370 nan 0.000 0.438 912 V N 0.436 120.337 119.914 -0.020 0.000 2.265 912 V HA -0.339 3.781 4.120 0.001 0.000 0.259 912 V C 0.634 176.712 176.094 -0.026 0.000 1.084 912 V CA 1.577 63.866 62.300 -0.019 0.000 1.076 912 V CB -0.905 30.911 31.823 -0.012 0.000 0.680 912 V HN 0.456 nan 8.190 nan 0.000 0.452 913 N N 1.878 120.560 118.700 -0.030 0.000 2.399 913 N HA 0.069 4.810 4.740 0.001 0.000 0.284 913 N C 0.166 175.647 175.510 -0.048 0.000 1.283 913 N CA 0.986 54.015 53.050 -0.035 0.000 0.972 913 N CB 0.663 39.130 38.487 -0.033 0.000 1.328 913 N HN 0.589 nan 8.380 nan 0.000 0.486 914 S N 1.942 117.615 115.700 -0.045 0.000 3.517 914 S HA 0.035 4.506 4.470 0.001 0.000 0.284 914 S C 1.169 175.731 174.600 -0.063 0.000 1.260 914 S CA -0.587 57.579 58.200 -0.056 0.000 0.975 914 S CB -0.592 62.582 63.200 -0.043 0.000 1.540 914 S HN 0.389 nan 8.310 nan 0.000 0.506 915 N N 3.405 122.057 118.700 -0.081 0.000 2.353 915 N HA 0.092 4.833 4.740 0.001 0.000 0.185 915 N C 0.980 176.421 175.510 -0.115 0.000 1.098 915 N CA 0.704 53.703 53.050 -0.086 0.000 0.872 915 N CB 0.017 38.453 38.487 -0.085 0.000 0.970 915 N HN 0.804 nan 8.380 nan 0.000 0.467 916 G N 1.431 110.151 108.800 -0.132 0.000 2.990 916 G HA2 -0.265 3.696 3.960 0.001 0.000 0.424 916 G HA3 -0.265 3.696 3.960 0.001 0.000 0.424 916 G C -0.184 174.570 174.900 -0.244 0.000 1.484 916 G CA -0.376 44.624 45.100 -0.166 0.000 0.986 916 G HN 0.190 nan 8.290 nan 0.000 0.557 917 I N 0.663 121.032 120.570 -0.336 0.000 2.395 917 I HA 0.230 4.401 4.170 0.001 0.000 0.289 917 I C 0.834 176.607 176.117 -0.574 0.000 1.023 917 I CA 0.070 61.041 61.300 -0.548 0.000 1.350 917 I CB 1.182 38.654 38.000 -0.881 0.000 1.409 917 I HN 0.546 nan 8.210 nan 0.000 0.507 918 E N 5.374 125.300 120.200 -0.456 0.000 2.028 918 E HA 0.114 4.465 4.350 0.001 0.000 0.266 918 E C -0.026 176.408 176.600 -0.277 0.000 0.962 918 E CA -0.223 56.008 56.400 -0.281 0.000 0.784 918 E CB 0.526 30.144 29.700 -0.136 0.000 1.114 918 E HN 0.495 nan 8.360 nan 0.000 0.414 919 W N 1.515 122.824 121.300 0.015 0.000 2.424 919 W HA -0.190 4.471 4.660 0.001 0.000 0.264 919 W C 2.162 178.712 176.519 0.051 0.000 1.229 919 W CA 0.845 58.211 57.345 0.036 0.000 1.208 919 W CB 0.057 29.538 29.460 0.035 0.000 1.127 919 W HN 0.435 nan 8.180 nan 0.000 0.588 920 S N -1.106 114.706 115.700 0.187 0.000 2.496 920 S HA -0.031 4.439 4.470 0.001 0.000 0.224 920 S C 0.760 175.415 174.600 0.092 0.000 0.996 920 S CA -0.013 58.272 58.200 0.142 0.000 0.927 920 S CB -0.314 62.947 63.200 0.101 0.000 0.774 920 S HN 0.162 nan 8.310 nan 0.000 0.524 921 N N 2.037 120.766 118.700 0.048 0.000 2.422 921 N HA 0.149 4.889 4.740 0.001 0.000 0.264 921 N C 0.476 176.013 175.510 0.046 0.000 1.063 921 N CA 0.073 53.137 53.050 0.023 0.000 0.959 921 N CB 1.084 39.555 38.487 -0.027 0.000 1.087 921 N HN 0.348 nan 8.380 nan 0.000 0.483 922 E N 2.523 122.758 120.200 0.059 0.000 2.204 922 E HA -0.142 4.208 4.350 0.001 0.000 0.195 922 E C 0.869 177.517 176.600 0.080 0.000 0.990 922 E CA 1.073 57.520 56.400 0.078 0.000 0.821 922 E CB 0.240 29.983 29.700 0.072 0.000 0.750 922 E HN 0.675 nan 8.360 nan 0.000 0.477 923 N N 0.292 119.027 118.700 0.058 0.000 2.207 923 N HA -0.120 4.620 4.740 0.001 0.000 0.182 923 N C 1.224 176.762 175.510 0.047 0.000 1.020 923 N CA 0.859 53.948 53.050 0.066 0.000 0.858 923 N CB 0.089 38.606 38.487 0.050 0.000 0.991 923 N HN 0.033 nan 8.380 nan 0.000 0.427 924 D N 0.792 121.189 120.400 -0.005 0.000 2.144 924 D HA -0.091 4.550 4.640 0.001 0.000 0.199 924 D C 1.893 178.172 176.300 -0.034 0.000 0.984 924 D CA 0.958 54.917 54.000 -0.068 0.000 0.834 924 D CB 0.029 40.715 40.800 -0.189 0.000 0.955 924 D HN 0.210 nan 8.370 nan 0.000 0.465 925 R N -0.225 120.296 120.500 0.035 0.000 2.073 925 R HA -0.037 4.303 4.340 0.001 0.000 0.229 925 R C 2.181 178.558 176.300 0.129 0.000 1.120 925 R CA 0.433 56.615 56.100 0.137 0.000 0.967 925 R CB -0.516 29.905 30.300 0.203 0.000 0.862 925 R HN 0.182 nan 8.270 nan 0.000 0.436 926 L N 1.404 122.689 121.223 0.103 0.000 2.012 926 L HA -0.162 4.178 4.340 0.001 0.000 0.210 926 L C 2.163 179.082 176.870 0.081 0.000 1.073 926 L CA 1.467 56.356 54.840 0.081 0.000 0.748 926 L CB -0.701 41.414 42.059 0.092 0.000 0.891 926 L HN 0.091 nan 8.230 nan 0.000 0.431 927 L N -1.009 120.284 121.223 0.117 0.000 1.990 927 L HA -0.226 4.114 4.340 0.001 0.000 0.213 927 L C 2.463 179.427 176.870 0.156 0.000 1.072 927 L CA 2.128 57.065 54.840 0.162 0.000 0.755 927 L CB -0.848 41.331 42.059 0.200 0.000 0.889 927 L HN 0.140 nan 8.230 nan 0.000 0.432 928 V N -0.976 119.056 119.914 0.197 0.000 2.282 928 V HA -0.422 3.698 4.120 0.001 0.000 0.249 928 V C 2.638 178.836 176.094 0.174 0.000 1.057 928 V CA 2.095 64.550 62.300 0.258 0.000 1.032 928 V CB -0.862 31.142 31.823 0.303 0.000 0.645 928 V HN 0.702 nan 8.190 nan 0.000 0.447 929 C N -0.778 118.593 119.300 0.118 0.000 2.425 929 C HA -0.177 4.283 4.460 0.001 0.000 0.277 929 C C 2.799 177.764 174.990 -0.041 0.000 1.280 929 C CA 0.972 60.020 59.018 0.051 0.000 1.744 929 C CB -1.112 26.641 27.740 0.021 0.000 1.989 929 C HN 0.622 nan 8.230 nan 0.000 0.491 930 Q N 0.153 119.899 119.800 -0.091 0.000 2.046 930 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 930 Q C 2.332 178.146 176.000 -0.310 0.000 0.975 930 Q CA 1.506 57.155 55.803 -0.256 0.000 0.836 930 Q CB -0.270 28.244 28.738 -0.372 0.000 0.896 930 Q HN 0.575 nan 8.270 nan 0.000 0.428 931 V N 0.476 120.245 119.914 -0.242 0.000 2.407 931 V HA -0.296 3.825 4.120 0.001 0.000 0.248 931 V C 2.356 178.280 176.094 -0.282 0.000 1.055 931 V CA 1.550 63.662 62.300 -0.315 0.000 1.049 931 V CB -0.573 30.965 31.823 -0.474 0.000 0.662 931 V HN 0.589 nan 8.190 nan 0.000 0.455 932 C N -0.374 118.841 119.300 -0.142 0.000 2.446 932 C HA -0.059 4.402 4.460 0.001 0.000 0.277 932 C C 2.541 177.437 174.990 -0.157 0.000 1.275 932 C CA 0.999 59.926 59.018 -0.151 0.000 1.727 932 C CB -0.766 27.006 27.740 0.053 0.000 2.010 932 C HN 0.604 nan 8.230 nan 0.000 0.486 933 I N 0.164 120.651 120.570 -0.137 0.000 2.676 933 I HA -0.108 4.062 4.170 0.001 0.000 0.259 933 I C 2.375 178.390 176.117 -0.169 0.000 1.194 933 I CA 1.203 62.414 61.300 -0.148 0.000 1.473 933 I CB -0.402 37.506 38.000 -0.154 0.000 1.096 933 I HN 0.422 nan 8.210 nan 0.000 0.443 934 K N 0.540 120.824 120.400 -0.194 0.000 2.007 934 K HA -0.182 4.138 4.320 0.001 0.000 0.206 934 K C 2.086 178.621 176.600 -0.109 0.000 1.047 934 K CA 1.467 57.666 56.287 -0.146 0.000 0.937 934 K CB -0.276 32.108 32.500 -0.194 0.000 0.718 934 K HN 0.313 nan 8.250 nan 0.000 0.438 935 L N 0.865 121.977 121.223 -0.185 0.000 2.043 935 L HA -0.231 4.110 4.340 0.001 0.000 0.212 935 L C 2.304 179.124 176.870 -0.084 0.000 1.075 935 L CA 1.657 56.392 54.840 -0.177 0.000 0.752 935 L CB -0.334 41.502 42.059 -0.372 0.000 0.891 935 L HN 0.170 nan 8.230 nan 0.000 0.432 936 A N -0.830 121.936 122.820 -0.091 0.000 1.972 936 A HA -0.270 4.050 4.320 0.001 0.000 0.219 936 A C 1.922 179.466 177.584 -0.066 0.000 1.169 936 A CA 1.843 53.854 52.037 -0.043 0.000 0.635 936 A CB -0.684 18.283 19.000 -0.056 0.000 0.810 936 A HN 0.584 nan 8.150 nan 0.000 0.446 937 D N -0.064 120.305 120.400 -0.053 0.000 2.224 937 D HA -0.065 4.575 4.640 0.001 0.000 0.205 937 D C 1.240 177.646 176.300 0.176 0.000 0.965 937 D CA 1.253 55.283 54.000 0.051 0.000 0.852 937 D CB -0.098 40.769 40.800 0.111 0.000 0.947 937 D HN 0.621 nan 8.370 nan 0.000 0.494 938 I N -1.708 118.933 120.570 0.119 0.000 3.424 938 I HA 0.248 4.419 4.170 0.001 0.000 0.339 938 I C 0.918 177.099 176.117 0.107 0.000 1.549 938 I CA -0.417 60.982 61.300 0.166 0.000 1.049 938 I CB -0.105 38.041 38.000 0.243 0.000 1.439 938 I HN -0.140 nan 8.210 nan 0.000 0.500 939 N N 2.018 120.746 118.700 0.046 0.000 2.381 939 N HA -0.128 4.613 4.740 0.001 0.000 0.182 939 N C 1.642 177.188 175.510 0.059 0.000 1.025 939 N CA 1.181 54.270 53.050 0.066 0.000 0.888 939 N CB -0.229 38.288 38.487 0.050 0.000 0.965 939 N HN 0.495 nan 8.380 nan 0.000 0.438 940 G N 2.971 111.785 108.800 0.024 0.000 2.732 940 G HA2 -0.291 3.669 3.960 0.001 0.000 0.222 940 G HA3 -0.291 3.669 3.960 0.001 0.000 0.222 940 G C -0.575 174.460 174.900 0.225 0.000 1.203 940 G CA 1.294 46.491 45.100 0.162 0.000 0.780 940 G HN 0.486 nan 8.290 nan 0.000 0.621 941 P HA 0.122 nan 4.420 nan 0.000 0.239 941 P C 0.855 178.143 177.300 -0.021 0.000 1.184 941 P CA 1.463 64.497 63.100 -0.111 0.000 0.760 941 P CB 0.066 31.729 31.700 -0.061 0.000 0.884 942 A N -1.316 121.576 122.820 0.120 0.000 2.430 942 A HA 0.179 4.499 4.320 0.001 0.000 0.243 942 A C 0.899 178.723 177.584 0.401 0.000 1.254 942 A CA 0.106 52.299 52.037 0.259 0.000 0.914 942 A CB 0.016 19.199 19.000 0.304 0.000 0.998 942 A HN -0.046 nan 8.150 nan 0.000 0.515 943 K N -0.444 120.030 120.400 0.123 0.000 2.168 943 K HA 0.412 4.732 4.320 0.001 0.000 0.239 943 K C -0.067 176.317 176.600 -0.360 0.000 0.999 943 K CA -0.697 55.490 56.287 -0.167 0.000 0.900 943 K CB 1.660 34.046 32.500 -0.190 0.000 1.111 943 K HN 0.000 nan 8.250 nan 0.000 0.452 944 V N 2.812 122.338 119.914 -0.646 0.000 2.788 944 V HA -0.089 4.032 4.120 0.001 0.000 0.307 944 V C 2.104 178.156 176.094 -0.070 0.000 1.069 944 V CA 0.587 62.621 62.300 -0.445 0.000 1.173 944 V CB 0.409 32.088 31.823 -0.240 0.000 0.925 944 V HN 0.772 nan 8.190 nan 0.000 0.492 945 R N 3.358 123.885 120.500 0.044 0.000 2.191 945 R HA -0.236 4.104 4.340 0.001 0.000 0.248 945 R C 1.539 177.880 176.300 0.068 0.000 1.127 945 R CA 2.962 59.133 56.100 0.118 0.000 0.943 945 R CB -0.503 29.840 30.300 0.072 0.000 0.891 945 R HN 0.947 nan 8.270 nan 0.000 0.439 946 D N 0.087 120.487 120.400 0.000 0.000 2.218 946 D HA -0.164 4.476 4.640 0.001 0.000 0.204 946 D C 1.909 178.161 176.300 -0.080 0.000 0.976 946 D CA 0.869 54.835 54.000 -0.056 0.000 0.853 946 D CB -0.023 40.741 40.800 -0.060 0.000 0.939 946 D HN 0.235 nan 8.370 nan 0.000 0.481 947 L N 0.413 121.629 121.223 -0.011 0.000 2.145 947 L HA -0.056 4.284 4.340 0.001 0.000 0.201 947 L C 2.326 179.289 176.870 0.155 0.000 1.075 947 L CA 1.370 56.241 54.840 0.051 0.000 0.773 947 L CB -1.028 41.064 42.059 0.056 0.000 0.936 947 L HN 0.052 nan 8.230 nan 0.000 0.451 948 H N -0.520 118.613 119.070 0.104 0.000 2.352 948 H HA -0.156 4.400 4.556 0.001 0.000 0.299 948 H C 1.977 177.400 175.328 0.158 0.000 1.097 948 H CA 2.047 58.204 56.048 0.182 0.000 1.311 948 H CB -0.291 29.568 29.762 0.162 0.000 1.377 948 H HN 0.298 nan 8.280 nan 0.000 0.504 949 L N -0.430 120.646 121.223 -0.244 0.000 2.217 949 L HA -0.073 4.267 4.340 0.001 0.000 0.211 949 L C 2.552 179.269 176.870 -0.254 0.000 1.107 949 L CA 1.302 55.969 54.840 -0.288 0.000 0.783 949 L CB -0.309 41.647 42.059 -0.172 0.000 0.919 949 L HN 0.197 nan 8.230 nan 0.000 0.442 950 K N -0.143 120.063 120.400 -0.324 0.000 2.057 950 K HA -0.165 4.155 4.320 0.001 0.000 0.206 950 K C 1.804 178.123 176.600 -0.468 0.000 1.050 950 K CA 1.619 57.568 56.287 -0.563 0.000 0.935 950 K CB -0.249 31.650 32.500 -1.002 0.000 0.715 950 K HN 0.223 nan 8.250 nan 0.000 0.439 951 W N -0.200 121.046 121.300 -0.090 0.000 2.518 951 W HA -0.021 4.640 4.660 0.001 0.000 0.273 951 W C 2.040 178.520 176.519 -0.064 0.000 1.247 951 W CA 0.784 58.132 57.345 0.004 0.000 1.288 951 W CB -0.288 29.233 29.460 0.102 0.000 1.107 951 W HN -0.025 nan 8.180 nan 0.000 0.586 952 T N 0.109 114.670 114.554 0.012 0.000 2.788 952 T HA -0.259 4.092 4.350 0.001 0.000 0.268 952 T C 1.530 176.095 174.700 -0.225 0.000 1.044 952 T CA 1.759 63.757 62.100 -0.171 0.000 1.139 952 T CB -0.230 68.483 68.868 -0.258 0.000 0.867 952 T HN 0.282 nan 8.240 nan 0.000 0.454 953 E N 0.363 120.451 120.200 -0.186 0.000 2.110 953 E HA -0.102 4.248 4.350 0.001 0.000 0.193 953 E C 2.414 178.897 176.600 -0.194 0.000 0.988 953 E CA 1.154 57.436 56.400 -0.198 0.000 0.804 953 E CB -0.430 29.147 29.700 -0.205 0.000 0.745 953 E HN 0.505 nan 8.360 nan 0.000 0.458 954 G N 1.292 110.024 108.800 -0.112 0.000 2.421 954 G HA2 -0.270 3.690 3.960 0.001 0.000 0.216 954 G HA3 -0.270 3.690 3.960 0.001 0.000 0.216 954 G C 1.530 176.364 174.900 -0.110 0.000 1.171 954 G CA 0.836 45.928 45.100 -0.013 0.000 0.775 954 G HN 0.340 nan 8.290 nan 0.000 0.543 955 I N 1.492 121.877 120.570 -0.309 0.000 2.394 955 I HA -0.095 4.075 4.170 0.001 0.000 0.251 955 I C 2.806 178.370 176.117 -0.921 0.000 1.136 955 I CA 1.180 61.953 61.300 -0.879 0.000 1.425 955 I CB -0.040 37.154 38.000 -1.344 0.000 1.079 955 I HN 0.126 nan 8.210 nan 0.000 0.425 956 V N -1.230 118.274 119.914 -0.683 0.000 2.488 956 V HA -0.098 4.023 4.120 0.001 0.000 0.246 956 V C 2.270 177.940 176.094 -0.706 0.000 1.046 956 V CA 1.695 63.577 62.300 -0.697 0.000 1.053 956 V CB -1.225 30.254 31.823 -0.573 0.000 0.679 956 V HN 0.337 nan 8.190 nan 0.000 0.458 957 N N 1.050 119.489 118.700 -0.436 0.000 2.058 957 N HA -0.195 4.545 4.740 0.001 0.000 0.191 957 N C 1.946 177.375 175.510 -0.136 0.000 1.037 957 N CA 2.175 55.075 53.050 -0.251 0.000 0.848 957 N CB -0.443 37.968 38.487 -0.127 0.000 1.021 957 N HN 0.767 nan 8.380 nan 0.000 0.422 958 E N 0.130 120.258 120.200 -0.120 0.000 2.085 958 E HA -0.135 4.216 4.350 0.001 0.000 0.194 958 E C 1.866 178.542 176.600 0.127 0.000 0.994 958 E CA 0.853 57.256 56.400 0.005 0.000 0.801 958 E CB -0.186 29.518 29.700 0.007 0.000 0.743 958 E HN 0.372 nan 8.360 nan 0.000 0.453 959 F N -0.557 119.283 119.950 -0.183 0.000 2.161 959 F HA -0.268 4.260 4.527 0.001 0.000 0.300 959 F C 2.057 177.871 175.800 0.024 0.000 1.089 959 F CA 0.762 58.689 58.000 -0.122 0.000 1.282 959 F CB -0.191 38.695 39.000 -0.190 0.000 1.010 959 F HN 0.190 nan 8.300 nan 0.000 0.485 960 Y N -0.225 120.169 120.300 0.156 0.000 2.242 960 Y HA -0.211 4.340 4.550 0.001 0.000 0.291 960 Y C 2.350 178.268 175.900 0.030 0.000 1.137 960 Y CA 0.461 58.604 58.100 0.071 0.000 1.181 960 Y CB -0.340 38.149 38.460 0.048 0.000 0.989 960 Y HN 0.079 nan 8.280 nan 0.000 0.527 961 E N 0.367 120.673 120.200 0.177 0.000 2.118 961 E HA -0.297 4.054 4.350 0.001 0.000 0.195 961 E C 2.127 178.736 176.600 0.016 0.000 0.992 961 E CA 1.279 57.728 56.400 0.081 0.000 0.804 961 E CB -0.054 29.677 29.700 0.051 0.000 0.741 961 E HN 0.494 nan 8.360 nan 0.000 0.458 962 Q N -0.231 119.563 119.800 -0.010 0.000 2.083 962 Q HA -0.103 4.237 4.340 0.001 0.000 0.198 962 Q C 2.167 178.138 176.000 -0.048 0.000 0.969 962 Q CA 1.545 57.258 55.803 -0.149 0.000 0.838 962 Q CB -0.189 28.428 28.738 -0.202 0.000 0.900 962 Q HN 0.269 nan 8.270 nan 0.000 0.436 963 G N 0.668 109.492 108.800 0.039 0.000 2.442 963 G HA2 -0.281 3.680 3.960 0.001 0.000 0.219 963 G HA3 -0.281 3.680 3.960 0.001 0.000 0.219 963 G C 0.921 175.849 174.900 0.047 0.000 1.141 963 G CA 1.066 46.200 45.100 0.057 0.000 0.763 963 G HN 0.373 nan 8.290 nan 0.000 0.554 964 D N 0.413 120.840 120.400 0.046 0.000 2.088 964 D HA -0.120 4.520 4.640 0.001 0.000 0.191 964 D C 2.249 178.577 176.300 0.046 0.000 0.992 964 D CA 1.456 55.476 54.000 0.033 0.000 0.831 964 D CB -0.590 40.229 40.800 0.032 0.000 0.973 964 D HN 0.530 nan 8.370 nan 0.000 0.447 965 E N 1.032 121.260 120.200 0.047 0.000 2.114 965 E HA -0.247 4.104 4.350 0.001 0.000 0.199 965 E C 1.777 178.475 176.600 0.164 0.000 1.008 965 E CA 1.464 57.919 56.400 0.091 0.000 0.810 965 E CB -0.011 29.729 29.700 0.067 0.000 0.739 965 E HN 0.316 nan 8.360 nan 0.000 0.456 966 E N -0.170 120.144 120.200 0.189 0.000 2.118 966 E HA -0.226 4.124 4.350 0.001 0.000 0.195 966 E C 2.008 178.670 176.600 0.104 0.000 0.992 966 E CA 0.987 57.518 56.400 0.218 0.000 0.804 966 E CB -0.150 29.663 29.700 0.188 0.000 0.741 966 E HN 0.467 nan 8.360 nan 0.000 0.458 967 A N 1.590 124.451 122.820 0.068 0.000 1.930 967 A HA -0.087 4.233 4.320 0.001 0.000 0.215 967 A C 1.762 179.366 177.584 0.033 0.000 1.176 967 A CA 0.670 52.729 52.037 0.037 0.000 0.632 967 A CB -0.168 18.843 19.000 0.019 0.000 0.819 967 A HN 0.114 nan 8.150 nan 0.000 0.445 968 N N 0.078 118.803 118.700 0.043 0.000 2.573 968 N HA -0.027 4.714 4.740 0.001 0.000 0.187 968 N C 0.920 176.452 175.510 0.037 0.000 1.107 968 N CA 0.781 53.852 53.050 0.036 0.000 0.918 968 N CB -0.082 38.429 38.487 0.040 0.000 0.966 968 N HN 0.477 nan 8.380 nan 0.000 0.448 969 L N -0.671 120.579 121.223 0.046 0.000 2.728 969 L HA 0.241 4.582 4.340 0.001 0.000 0.238 969 L C 1.048 177.924 176.870 0.011 0.000 1.143 969 L CA -0.155 54.703 54.840 0.030 0.000 0.937 969 L CB 0.088 42.169 42.059 0.037 0.000 1.225 969 L HN 0.060 nan 8.230 nan 0.000 0.507 970 G N 0.991 109.799 108.800 0.013 0.000 2.160 970 G HA2 -0.284 3.677 3.960 0.001 0.000 0.251 970 G HA3 -0.284 3.677 3.960 0.001 0.000 0.251 970 G C 0.031 174.930 174.900 -0.001 0.000 1.008 970 G CA 0.180 45.281 45.100 0.003 0.000 0.724 970 G HN 0.256 nan 8.290 nan 0.000 0.514 971 L N 0.024 121.252 121.223 0.008 0.000 2.352 971 L HA 0.562 4.903 4.340 0.001 0.000 0.269 971 L C -1.927 174.949 176.870 0.011 0.000 1.034 971 L CA -2.524 52.318 54.840 0.003 0.000 0.806 971 L CB 1.443 43.505 42.059 0.005 0.000 1.244 971 L HN -0.151 nan 8.230 nan 0.000 0.447 972 P HA 0.168 nan 4.420 nan 0.000 0.276 972 P C -0.684 176.621 177.300 0.009 0.000 1.243 972 P CA -0.321 62.778 63.100 -0.001 0.000 0.768 972 P CB 0.427 32.122 31.700 -0.010 0.000 0.856 973 I N 2.167 122.738 120.570 0.002 0.000 2.618 973 I HA -0.033 4.138 4.170 0.001 0.000 0.284 973 I C 0.874 176.983 176.117 -0.014 0.000 1.146 973 I CA 0.973 62.276 61.300 0.005 0.000 1.425 973 I CB -0.151 37.845 38.000 -0.007 0.000 1.383 973 I HN 0.295 nan 8.210 nan 0.000 0.562 974 S N 7.680 123.374 115.700 -0.010 0.000 2.585 974 S HA 0.238 4.709 4.470 0.001 0.000 0.273 974 S C -2.188 172.368 174.600 -0.074 0.000 1.339 974 S CA -0.850 57.328 58.200 -0.037 0.000 1.028 974 S CB 0.123 63.294 63.200 -0.048 0.000 0.906 974 S HN 0.408 nan 8.310 nan 0.000 0.528 975 P HA 0.080 nan 4.420 nan 0.000 0.265 975 P C 0.039 177.249 177.300 -0.150 0.000 1.187 975 P CA 0.434 63.376 63.100 -0.264 0.000 0.766 975 P CB -0.113 31.446 31.700 -0.236 0.000 0.820 976 F N -0.967 119.008 119.950 0.041 0.000 2.825 976 F HA -0.262 4.265 4.527 0.001 0.000 0.358 976 F C 1.121 177.040 175.800 0.198 0.000 0.639 976 F CA 0.609 58.680 58.000 0.119 0.000 1.153 976 F CB -1.977 37.105 39.000 0.137 0.000 1.610 976 F HN 0.370 nan 8.300 nan 0.000 0.305 977 M N -0.849 118.869 119.600 0.197 0.000 2.404 977 M HA 0.186 4.667 4.480 0.001 0.000 0.271 977 M C 0.116 176.555 176.300 0.232 0.000 1.128 977 M CA 0.229 55.682 55.300 0.255 0.000 0.982 977 M CB 0.206 32.828 32.600 0.036 0.000 1.445 977 M HN -0.044 nan 8.290 nan 0.000 0.495 978 D N 2.053 122.513 120.400 0.100 0.000 2.359 978 D HA 0.139 4.779 4.640 0.001 0.000 0.230 978 D C 1.128 177.219 176.300 -0.349 0.000 1.118 978 D CA -0.093 53.858 54.000 -0.082 0.000 0.844 978 D CB 1.011 41.769 40.800 -0.069 0.000 1.059 978 D HN 0.333 nan 8.370 nan 0.000 0.493 979 R N 1.708 121.813 120.500 -0.658 0.000 2.280 979 R HA -0.076 4.265 4.340 0.001 0.000 0.207 979 R C 1.204 177.252 176.300 -0.422 0.000 1.043 979 R CA 1.108 56.595 56.100 -1.021 0.000 1.006 979 R CB -0.154 29.612 30.300 -0.890 0.000 0.885 979 R HN 0.272 nan 8.270 nan 0.000 0.467 980 S N -0.392 115.159 115.700 -0.248 0.000 2.501 980 S HA 0.093 4.564 4.470 0.001 0.000 0.220 980 S C 0.640 175.183 174.600 -0.095 0.000 0.997 980 S CA 0.004 58.121 58.200 -0.138 0.000 0.919 980 S CB 0.383 63.524 63.200 -0.098 0.000 0.778 980 S HN 0.226 nan 8.310 nan 0.000 0.523 981 S N 3.419 119.062 115.700 -0.094 0.000 2.327 981 S HA 0.386 4.856 4.470 0.001 0.000 0.203 981 S C -2.728 171.863 174.600 -0.015 0.000 1.326 981 S CA -1.059 57.113 58.200 -0.048 0.000 1.248 981 S CB 0.795 63.966 63.200 -0.049 0.000 1.199 981 S HN 0.501 nan 8.310 nan 0.000 0.422 982 P HA 0.148 nan 4.420 nan 0.000 0.267 982 P C -0.653 176.736 177.300 0.148 0.000 1.200 982 P CA 0.087 63.263 63.100 0.127 0.000 0.772 982 P CB 0.587 32.377 31.700 0.149 0.000 0.855 983 Q N 1.539 121.481 119.800 0.236 0.000 2.632 983 Q HA 0.109 4.450 4.340 0.001 0.000 0.352 983 Q C 0.822 177.004 176.000 0.304 0.000 0.821 983 Q CA -0.574 55.383 55.803 0.256 0.000 1.060 983 Q CB 0.529 29.411 28.738 0.241 0.000 1.429 983 Q HN 0.322 nan 8.270 nan 0.000 0.391 984 L N 1.395 122.736 121.223 0.196 0.000 1.978 984 L HA -0.202 4.139 4.340 0.001 0.000 0.218 984 L C 1.910 178.722 176.870 -0.098 0.000 1.075 984 L CA 2.897 57.758 54.840 0.035 0.000 0.767 984 L CB -0.836 41.257 42.059 0.057 0.000 0.890 984 L HN 0.360 nan 8.230 nan 0.000 0.434 985 A N -0.807 122.081 122.820 0.114 0.000 1.940 985 A HA -0.307 4.013 4.320 0.001 0.000 0.219 985 A C 2.480 180.120 177.584 0.093 0.000 1.176 985 A CA 2.195 54.366 52.037 0.224 0.000 0.631 985 A CB -0.718 18.549 19.000 0.445 0.000 0.814 985 A HN 0.586 nan 8.150 nan 0.000 0.446 986 K N -0.814 119.678 120.400 0.154 0.000 2.148 986 K HA -0.108 4.212 4.320 0.001 0.000 0.204 986 K C 1.862 178.478 176.600 0.028 0.000 1.050 986 K CA 1.262 57.669 56.287 0.201 0.000 0.942 986 K CB -0.261 32.453 32.500 0.357 0.000 0.724 986 K HN 0.369 nan 8.250 nan 0.000 0.446 987 L N 1.314 122.395 121.223 -0.237 0.000 1.961 987 L HA -0.225 4.116 4.340 0.001 0.000 0.210 987 L C 2.229 178.857 176.870 -0.405 0.000 1.072 987 L CA 1.774 56.147 54.840 -0.777 0.000 0.749 987 L CB -0.678 40.930 42.059 -0.752 0.000 0.889 987 L HN 0.214 nan 8.230 nan 0.000 0.432 988 Q N -0.124 119.405 119.800 -0.451 0.000 2.030 988 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 988 Q C 2.239 178.201 176.000 -0.064 0.000 0.986 988 Q CA 1.840 57.410 55.803 -0.389 0.000 0.843 988 Q CB -0.862 27.235 28.738 -1.068 0.000 0.904 988 Q HN 0.601 nan 8.270 nan 0.000 0.420 989 E N 0.561 120.768 120.200 0.011 0.000 2.130 989 E HA -0.161 4.190 4.350 0.001 0.000 0.196 989 E C 2.018 178.747 176.600 0.215 0.000 0.998 989 E CA 1.357 57.889 56.400 0.220 0.000 0.806 989 E CB 0.000 29.815 29.700 0.191 0.000 0.738 989 E HN 0.218 nan 8.360 nan 0.000 0.459 990 S N -0.877 114.918 115.700 0.158 0.000 2.357 990 S HA -0.093 4.378 4.470 0.001 0.000 0.221 990 S C 1.819 176.572 174.600 0.256 0.000 1.031 990 S CA 0.795 59.148 58.200 0.256 0.000 0.982 990 S CB -0.471 62.872 63.200 0.237 0.000 0.853 990 S HN 0.339 nan 8.310 nan 0.000 0.458 991 F N 2.213 122.153 119.950 -0.018 0.000 2.102 991 F HA -0.009 4.518 4.527 0.001 0.000 0.298 991 F C 1.882 177.657 175.800 -0.042 0.000 1.105 991 F CA 1.386 59.358 58.000 -0.046 0.000 1.239 991 F CB -0.525 38.390 39.000 -0.141 0.000 0.991 991 F HN 0.218 nan 8.300 nan 0.000 0.474 992 I N -0.722 119.848 120.570 -0.001 0.000 2.127 992 I HA -0.366 3.805 4.170 0.001 0.000 0.241 992 I C 2.289 178.262 176.117 -0.241 0.000 1.075 992 I CA 1.957 63.175 61.300 -0.136 0.000 1.334 992 I CB -0.938 37.042 38.000 -0.034 0.000 1.040 992 I HN 0.089 nan 8.210 nan 0.000 0.405 993 T N -0.790 113.646 114.554 -0.195 0.000 2.788 993 T HA -0.176 4.174 4.350 0.001 0.000 0.268 993 T C 1.679 176.171 174.700 -0.347 0.000 1.044 993 T CA 1.329 63.253 62.100 -0.294 0.000 1.139 993 T CB -0.247 68.448 68.868 -0.287 0.000 0.867 993 T HN 0.369 nan 8.240 nan 0.000 0.454 994 H N -1.017 118.024 119.070 -0.049 0.000 2.595 994 H HA 0.280 4.836 4.556 0.001 0.000 0.265 994 H C 1.299 176.554 175.328 -0.122 0.000 0.953 994 H CA 0.371 56.419 56.048 -0.001 0.000 1.197 994 H CB 0.577 30.385 29.762 0.076 0.000 1.438 994 H HN 0.298 nan 8.280 nan 0.000 0.531 995 I N -0.646 119.730 120.570 -0.324 0.000 4.274 995 I HA -0.039 4.131 4.170 0.001 0.000 0.246 995 I C 2.408 178.216 176.117 -0.514 0.000 1.052 995 I CA 0.160 61.052 61.300 -0.681 0.000 1.840 995 I CB -0.979 36.232 38.000 -1.316 0.000 1.576 995 I HN -0.157 nan 8.210 nan 0.000 0.451 996 V N 2.222 121.763 119.914 -0.622 0.000 2.250 996 V HA -0.257 3.863 4.120 0.001 0.000 0.250 996 V C 2.610 178.597 176.094 -0.179 0.000 1.060 996 V CA 2.582 64.691 62.300 -0.318 0.000 1.030 996 V CB -1.870 29.815 31.823 -0.229 0.000 0.643 996 V HN 0.621 nan 8.190 nan 0.000 0.445 997 G N 1.168 109.855 108.800 -0.190 0.000 2.480 997 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 997 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 997 G C 0.127 174.984 174.900 -0.070 0.000 1.200 997 G CA 1.288 46.305 45.100 -0.137 0.000 0.782 997 G HN 0.589 nan 8.290 nan 0.000 0.554 998 P HA -0.093 nan 4.420 nan 0.000 0.218 998 P C 2.040 179.369 177.300 0.047 0.000 1.146 998 P CA 0.735 63.852 63.100 0.028 0.000 0.813 998 P CB -0.063 31.686 31.700 0.083 0.000 0.778 999 L N 0.014 121.252 121.223 0.026 0.000 2.027 999 L HA -0.107 4.234 4.340 0.001 0.000 0.206 999 L C 2.479 179.346 176.870 -0.006 0.000 1.074 999 L CA 1.926 56.769 54.840 0.005 0.000 0.745 999 L CB -1.368 40.694 42.059 0.005 0.000 0.898 999 L HN -0.038 nan 8.230 nan 0.000 0.433 1000 C N 0.189 119.477 119.300 -0.020 0.000 2.453 1000 C HA -0.087 4.373 4.460 0.001 0.000 0.277 1000 C C 2.517 177.546 174.990 0.066 0.000 1.262 1000 C CA 0.761 59.781 59.018 0.003 0.000 1.718 1000 C CB -1.378 26.344 27.740 -0.030 0.000 2.031 1000 C HN 0.630 nan 8.230 nan 0.000 0.480 1001 N N 0.980 119.707 118.700 0.044 0.000 2.192 1001 N HA -0.140 4.600 4.740 0.001 0.000 0.188 1001 N C 1.850 177.422 175.510 0.104 0.000 1.013 1001 N CA 1.618 54.702 53.050 0.057 0.000 0.863 1001 N CB -0.596 37.914 38.487 0.039 0.000 0.990 1001 N HN 0.513 nan 8.380 nan 0.000 0.430 1002 S N -0.175 115.611 115.700 0.144 0.000 2.357 1002 S HA -0.090 4.380 4.470 0.001 0.000 0.221 1002 S C 1.881 176.699 174.600 0.363 0.000 1.031 1002 S CA 0.373 58.716 58.200 0.237 0.000 0.982 1002 S CB -0.358 63.001 63.200 0.265 0.000 0.853 1002 S HN 0.366 nan 8.310 nan 0.000 0.458 1003 Y N 1.924 122.305 120.300 0.135 0.000 2.224 1003 Y HA -0.109 4.442 4.550 0.001 0.000 0.289 1003 Y C 2.166 178.135 175.900 0.115 0.000 1.146 1003 Y CA 2.058 60.234 58.100 0.127 0.000 1.182 1003 Y CB -0.434 37.993 38.460 -0.055 0.000 0.983 1003 Y HN 0.365 nan 8.280 nan 0.000 0.524 1004 D N -0.602 119.918 120.400 0.200 0.000 2.149 1004 D HA -0.106 4.534 4.640 0.001 0.000 0.201 1004 D C 2.128 178.450 176.300 0.037 0.000 0.972 1004 D CA 1.182 55.230 54.000 0.079 0.000 0.835 1004 D CB -0.262 40.569 40.800 0.051 0.000 0.966 1004 D HN 0.340 nan 8.370 nan 0.000 0.476 1005 A N 0.188 123.047 122.820 0.066 0.000 2.015 1005 A HA 0.154 4.475 4.320 0.001 0.000 0.219 1005 A C 2.149 179.740 177.584 0.011 0.000 1.163 1005 A CA 1.510 53.569 52.037 0.038 0.000 0.646 1005 A CB -0.577 18.455 19.000 0.053 0.000 0.806 1005 A HN 0.267 nan 8.150 nan 0.000 0.448 1006 A N -1.283 121.549 122.820 0.021 0.000 2.238 1006 A HA 0.410 4.731 4.320 0.001 0.000 0.208 1006 A C 1.736 179.285 177.584 -0.058 0.000 1.177 1006 A CA 1.018 53.031 52.037 -0.040 0.000 0.804 1006 A CB -1.152 17.841 19.000 -0.011 0.000 0.823 1006 A HN 1.765 nan 8.150 nan 0.000 0.482 1007 G N -0.572 108.196 108.800 -0.053 0.000 2.258 1007 G HA2 -0.280 3.681 3.960 0.001 0.000 0.274 1007 G HA3 -0.280 3.681 3.960 0.001 0.000 0.274 1007 G C 0.613 175.453 174.900 -0.100 0.000 1.021 1007 G CA 0.733 45.792 45.100 -0.069 0.000 0.798 1007 G HN 0.549 nan 8.290 nan 0.000 0.507 1008 L N -0.962 120.146 121.223 -0.192 0.000 2.592 1008 L HA 0.328 4.669 4.340 0.001 0.000 0.227 1008 L C 1.474 178.270 176.870 -0.124 0.000 1.127 1008 L CA -0.075 54.599 54.840 -0.276 0.000 0.884 1008 L CB 0.040 41.652 42.059 -0.746 0.000 1.065 1008 L HN 0.211 nan 8.230 nan 0.000 0.457 1009 L N 3.006 124.207 121.223 -0.037 0.000 2.319 1009 L HA 0.240 4.580 4.340 0.001 0.000 0.280 1009 L C -1.922 174.908 176.870 -0.068 0.000 1.099 1009 L CA -1.728 53.131 54.840 0.033 0.000 0.828 1009 L CB 0.812 42.878 42.059 0.012 0.000 1.150 1009 L HN -0.184 nan 8.230 nan 0.000 0.442 1010 P HA 0.166 nan 4.420 nan 0.000 0.276 1010 P C -0.330 176.898 177.300 -0.121 0.000 1.253 1010 P CA 0.085 63.132 63.100 -0.087 0.000 0.766 1010 P CB 1.541 33.200 31.700 -0.069 0.000 0.845 1011 G N 3.124 111.851 108.800 -0.122 0.000 3.107 1011 G HA2 0.623 4.584 3.960 0.001 0.000 0.233 1011 G HA3 0.623 4.584 3.960 0.001 0.000 0.233 1011 G C -1.416 173.463 174.900 -0.036 0.000 1.168 1011 G CA -0.608 44.411 45.100 -0.135 0.000 0.801 1011 G HN 0.615 nan 8.290 nan 0.000 0.605 1012 Q N -1.072 118.721 119.800 -0.011 0.000 2.320 1012 Q HA 0.387 4.728 4.340 0.001 0.000 0.272 1012 Q C -1.806 174.272 176.000 0.130 0.000 1.023 1012 Q CA -0.969 54.914 55.803 0.134 0.000 0.855 1012 Q CB 1.515 30.352 28.738 0.165 0.000 1.367 1012 Q HN 0.586 nan 8.270 nan 0.000 0.406 1013 W N 2.374 123.838 121.300 0.272 0.000 2.123 1013 W HA 0.234 4.894 4.660 0.001 0.000 0.351 1013 W C 0.629 177.220 176.519 0.121 0.000 1.292 1013 W CA -0.449 56.973 57.345 0.127 0.000 1.263 1013 W CB 0.527 30.023 29.460 0.060 0.000 1.165 1013 W HN 0.656 nan 8.180 nan 0.000 0.590 1014 L N -0.322 121.129 121.223 0.380 0.000 2.777 1014 L HA 0.196 4.537 4.340 0.001 0.000 0.172 1014 L C 0.859 177.816 176.870 0.145 0.000 1.179 1014 L CA 0.024 54.990 54.840 0.210 0.000 0.859 1014 L CB -0.507 41.644 42.059 0.152 0.000 1.269 1014 L HN 0.276 nan 8.230 nan 0.000 0.511 1054 R N 0.900 121.453 120.500 0.088 0.000 2.583 1054 R HA 0.779 5.120 4.340 0.001 0.000 0.282 1054 R C -0.290 176.036 176.300 0.042 0.000 1.288 1054 R CA 0.108 56.237 56.100 0.049 0.000 1.415 1054 R CB -0.121 30.183 30.300 0.007 0.000 1.331 1054 R HN 0.528 nan 8.270 nan 0.000 0.719 1055 R N 0.017 120.602 120.500 0.142 0.000 2.690 1055 R HA 0.446 4.786 4.340 0.001 0.000 0.269 1055 R C -1.163 175.328 176.300 0.318 0.000 1.037 1055 R CA -0.902 55.295 56.100 0.162 0.000 0.877 1055 R CB 1.550 31.820 30.300 -0.051 0.000 1.255 1055 R HN 0.439 nan 8.270 nan 0.000 0.467 1056 R N 1.921 122.579 120.500 0.263 0.000 2.442 1056 R HA 0.239 4.579 4.340 0.001 0.000 0.291 1056 R C -0.144 176.340 176.300 0.306 0.000 1.069 1056 R CA 0.016 56.258 56.100 0.237 0.000 1.022 1056 R CB 0.176 30.573 30.300 0.162 0.000 0.976 1056 R HN 0.352 nan 8.270 nan 0.000 0.443 1057 I N -0.065 120.600 120.570 0.158 0.000 2.498 1057 I HA 0.382 4.553 4.170 0.001 0.000 0.290 1057 I C -1.001 175.175 176.117 0.099 0.000 1.032 1057 I CA -0.827 60.493 61.300 0.032 0.000 1.073 1057 I CB 1.490 39.379 38.000 -0.185 0.000 1.251 1057 I HN 0.328 nan 8.210 nan 0.000 0.426 1058 F N 7.191 127.117 119.950 -0.040 0.000 2.361 1058 F HA 0.545 5.073 4.527 0.001 0.000 0.364 1058 F C -0.452 175.311 175.800 -0.061 0.000 1.120 1058 F CA -1.262 56.713 58.000 -0.043 0.000 1.102 1058 F CB 0.868 39.848 39.000 -0.033 0.000 1.183 1058 F HN 0.835 nan 8.300 nan 0.000 0.476 1059 C N 8.319 127.237 119.300 -0.637 0.000 2.203 1059 C HA 0.238 4.699 4.460 0.001 0.000 0.325 1059 C C 1.619 176.066 174.990 -0.904 0.000 1.156 1059 C CA -0.378 58.271 59.018 -0.614 0.000 1.597 1059 C CB -0.987 26.559 27.740 -0.323 0.000 2.148 1059 C HN 1.102 nan 8.230 nan 0.000 0.472 1060 Q N 3.651 122.854 119.800 -0.996 0.000 1.998 1060 Q HA -0.260 4.080 4.340 0.001 0.000 0.209 1060 Q C 1.882 177.676 176.000 -0.345 0.000 1.002 1060 Q CA 3.015 58.400 55.803 -0.695 0.000 0.858 1060 Q CB -0.172 28.432 28.738 -0.224 0.000 0.932 1060 Q HN 0.902 nan 8.270 nan 0.000 0.416 1061 L N -0.963 120.078 121.223 -0.302 0.000 2.127 1061 L HA -0.067 4.274 4.340 0.001 0.000 0.211 1061 L C 2.287 179.143 176.870 -0.025 0.000 1.089 1061 L CA 1.989 56.811 54.840 -0.029 0.000 0.757 1061 L CB -0.857 40.947 42.059 -0.425 0.000 0.899 1061 L HN 0.335 nan 8.230 nan 0.000 0.434 1062 M N -0.519 118.990 119.600 -0.151 0.000 2.296 1062 M HA -0.106 4.374 4.480 0.001 0.000 0.265 1062 M C 2.255 178.536 176.300 -0.032 0.000 1.064 1062 M CA 1.673 56.922 55.300 -0.085 0.000 1.109 1062 M CB -0.609 31.925 32.600 -0.111 0.000 1.396 1062 M HN 0.681 nan 8.290 nan 0.000 0.430 1063 H N -1.290 117.666 119.070 -0.190 0.000 2.363 1063 H HA -0.082 4.475 4.556 0.001 0.000 0.301 1063 H C 1.855 177.135 175.328 -0.081 0.000 1.074 1063 H CA 2.136 58.107 56.048 -0.129 0.000 1.354 1063 H CB -0.238 29.439 29.762 -0.142 0.000 1.397 1063 H HN 0.431 nan 8.280 nan 0.000 0.516 1064 H N -0.199 118.780 119.070 -0.152 0.000 2.319 1064 H HA -0.122 4.435 4.556 0.001 0.000 0.299 1064 H C 2.361 177.631 175.328 -0.098 0.000 1.092 1064 H CA 1.351 57.303 56.048 -0.159 0.000 1.302 1064 H CB -0.561 29.229 29.762 0.047 0.000 1.373 1064 H HN 0.325 nan 8.280 nan 0.000 0.497 1065 L N 0.824 122.091 121.223 0.073 0.000 2.043 1065 L HA -0.185 4.156 4.340 0.001 0.000 0.212 1065 L C 2.303 179.187 176.870 0.023 0.000 1.075 1065 L CA 1.900 56.755 54.840 0.025 0.000 0.752 1065 L CB -0.874 41.187 42.059 0.004 0.000 0.891 1065 L HN 0.209 nan 8.230 nan 0.000 0.432 1066 T N -1.169 113.395 114.554 0.017 0.000 2.777 1066 T HA -0.109 4.242 4.350 0.001 0.000 0.266 1066 T C 1.702 176.447 174.700 0.075 0.000 1.040 1066 T CA 1.227 63.366 62.100 0.066 0.000 1.141 1066 T CB -0.137 68.778 68.868 0.079 0.000 0.868 1066 T HN 0.289 nan 8.240 nan 0.000 0.444 1067 E N 1.740 121.933 120.200 -0.013 0.000 2.028 1067 E HA -0.025 4.325 4.350 0.001 0.000 0.191 1067 E C 2.259 178.875 176.600 0.027 0.000 0.988 1067 E CA 0.777 57.168 56.400 -0.014 0.000 0.799 1067 E CB -0.651 28.986 29.700 -0.104 0.000 0.755 1067 E HN 0.359 nan 8.360 nan 0.000 0.447 1068 N N 0.654 119.376 118.700 0.037 0.000 2.272 1068 N HA -0.174 4.566 4.740 0.001 0.000 0.185 1068 N C 1.735 177.355 175.510 0.183 0.000 1.014 1068 N CA 0.980 54.063 53.050 0.055 0.000 0.870 1068 N CB -0.407 37.995 38.487 -0.142 0.000 0.975 1068 N HN 0.292 nan 8.380 nan 0.000 0.433 1069 H N 1.108 120.227 119.070 0.081 0.000 2.462 1069 H HA 0.131 4.688 4.556 0.001 0.000 0.292 1069 H C 1.480 176.880 175.328 0.121 0.000 1.049 1069 H CA 1.302 57.444 56.048 0.156 0.000 1.334 1069 H CB 0.244 30.056 29.762 0.085 0.000 1.404 1069 H HN 0.098 nan 8.280 nan 0.000 0.544 1070 K N -0.252 120.162 120.400 0.024 0.000 2.288 1070 K HA -0.017 4.304 4.320 0.001 0.000 0.201 1070 K C 2.013 178.530 176.600 -0.138 0.000 1.048 1070 K CA 1.011 57.257 56.287 -0.069 0.000 0.956 1070 K CB 0.182 32.666 32.500 -0.026 0.000 0.746 1070 K HN 0.330 nan 8.250 nan 0.000 0.461 1071 I N -0.525 119.905 120.570 -0.234 0.000 2.286 1071 I HA -0.238 3.933 4.170 0.001 0.000 0.248 1071 I C 1.287 177.087 176.117 -0.529 0.000 1.115 1071 I CA 1.456 62.444 61.300 -0.519 0.000 1.392 1071 I CB -0.116 37.335 38.000 -0.915 0.000 1.065 1071 I HN 0.293 nan 8.210 nan 0.000 0.418 1072 W N 0.583 121.885 121.300 0.003 0.000 3.127 1072 W HA 0.272 4.933 4.660 0.001 0.000 0.344 1072 W C 1.199 177.682 176.519 -0.060 0.000 1.151 1072 W CA -0.504 56.840 57.345 -0.002 0.000 1.765 1072 W CB -0.015 29.476 29.460 0.051 0.000 1.085 1072 W HN -0.179 nan 8.180 nan 0.000 0.596 1073 K N 0.000 120.403 120.400 0.005 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.242 56.287 -0.075 0.000 0.838 1073 K CB 0.000 32.303 32.500 -0.328 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543