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 3izm_1_F DATA FIRST_RESID 2566 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 2566 V HA 0.000 nan 4.120 nan 0.000 0.244 2566 V C 0.000 176.084 176.094 -0.017 0.000 1.182 2566 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 2566 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 2567 L N 2.407 123.618 121.223 -0.021 0.000 2.325 2567 L HA 0.621 4.961 4.340 0.000 0.000 0.278 2567 L C -2.352 174.504 176.870 -0.025 0.000 1.023 2567 L CA -1.586 53.239 54.840 -0.026 0.000 0.811 2567 L CB 1.052 43.090 42.059 -0.035 0.000 1.249 2567 L HN 0.158 nan 8.230 nan 0.000 0.431 2568 P HA 0.046 nan 4.420 nan 0.000 0.265 2568 P C -0.583 176.702 177.300 -0.024 0.000 1.193 2568 P CA -0.301 62.787 63.100 -0.021 0.000 0.765 2568 P CB 0.493 32.181 31.700 -0.019 0.000 0.823 2569 E N 2.919 123.107 120.200 -0.020 0.000 2.376 2569 E HA 0.040 4.391 4.350 0.000 0.000 0.266 2569 E C 0.507 177.094 176.600 -0.020 0.000 1.009 2569 E CA 0.620 57.007 56.400 -0.021 0.000 0.902 2569 E CB -0.139 29.552 29.700 -0.015 0.000 0.972 2569 E HN 0.395 nan 8.360 nan 0.000 0.439 2570 N N 1.952 120.637 118.700 -0.025 0.000 2.990 2570 N HA -0.199 4.541 4.740 0.000 0.000 0.163 2570 N C -0.159 175.330 175.510 -0.034 0.000 1.452 2570 N CA 0.655 53.692 53.050 -0.022 0.000 1.624 2570 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 2570 N HN 0.583 nan 8.380 nan 0.000 0.695 2571 M N 2.842 122.416 119.600 -0.043 0.000 2.248 2571 M HA 0.066 4.546 4.480 0.000 0.000 0.345 2571 M C -0.451 175.790 176.300 -0.098 0.000 1.243 2571 M CA 0.666 55.929 55.300 -0.061 0.000 1.090 2571 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 2571 M HN -0.122 nan 8.290 nan 0.000 0.450 2572 K N 5.196 125.519 120.400 -0.129 0.000 2.259 2572 K HA 0.538 4.858 4.320 0.000 0.000 0.252 2572 K C -1.123 175.275 176.600 -0.336 0.000 0.936 2572 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 2572 K CB 2.197 34.572 32.500 -0.209 0.000 1.143 2572 K HN 0.770 nan 8.250 nan 0.000 0.427 2573 R N 2.143 122.332 120.500 -0.519 0.000 2.604 2573 R HA 0.422 4.762 4.340 0.000 0.000 0.281 2573 R C -1.484 174.465 176.300 -0.584 0.000 1.020 2573 R CA -0.529 55.322 56.100 -0.414 0.000 0.899 2573 R CB 1.208 31.389 30.300 -0.198 0.000 1.205 2573 R HN 0.601 nan 8.270 nan 0.000 0.450 2574 Y N 4.284 124.577 120.300 -0.013 0.000 2.512 2574 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 2574 Y C 0.154 176.058 175.900 0.007 0.000 0.990 2574 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 2574 Y CB 2.376 40.852 38.460 0.027 0.000 1.259 2574 Y HN 0.409 nan 8.280 nan 0.000 0.461 2575 M N 0.858 120.555 119.600 0.162 0.000 2.520 2575 M HA 0.772 5.252 4.480 0.000 0.000 0.280 2575 M C 0.052 176.394 176.300 0.070 0.000 1.232 2575 M CA -0.180 55.172 55.300 0.087 0.000 0.892 2575 M CB 1.226 33.853 32.600 0.046 0.000 1.728 2575 M HN 0.898 nan 8.290 nan 0.000 0.475 2576 G N 2.713 111.540 108.800 0.045 0.000 2.622 2576 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 2576 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 2576 G C 0.642 175.555 174.900 0.022 0.000 1.226 2576 G CA 1.333 46.448 45.100 0.024 0.000 0.997 2576 G HN 1.189 nan 8.290 nan 0.000 0.551 2577 R N 0.363 120.872 120.500 0.016 0.000 2.096 2577 R HA -0.070 4.270 4.340 0.000 0.000 0.235 2577 R C 2.155 178.467 176.300 0.020 0.000 1.127 2577 R CA 2.199 58.305 56.100 0.009 0.000 0.968 2577 R CB -0.405 29.898 30.300 0.005 0.000 0.861 2577 R HN 0.612 nan 8.270 nan 0.000 0.440 2578 D N 0.043 120.473 120.400 0.050 0.000 2.183 2578 D HA -0.074 4.566 4.640 0.000 0.000 0.203 2578 D C 1.700 178.034 176.300 0.056 0.000 0.969 2578 D CA 1.223 55.266 54.000 0.071 0.000 0.842 2578 D CB -0.060 40.834 40.800 0.156 0.000 0.957 2578 D HN 0.374 nan 8.370 nan 0.000 0.484 2579 A N 1.228 124.107 122.820 0.099 0.000 1.877 2579 A HA -0.191 4.129 4.320 0.000 0.000 0.216 2579 A C 2.155 179.759 177.584 0.034 0.000 1.186 2579 A CA 1.176 53.273 52.037 0.100 0.000 0.620 2579 A CB -0.361 18.706 19.000 0.111 0.000 0.822 2579 A HN 0.067 nan 8.150 nan 0.000 0.443 2580 Q N -0.707 119.104 119.800 0.017 0.000 2.079 2580 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 2580 Q C 2.266 178.250 176.000 -0.026 0.000 0.974 2580 Q CA 1.606 57.407 55.803 -0.003 0.000 0.840 2580 Q CB -0.380 28.353 28.738 -0.010 0.000 0.898 2580 Q HN 0.758 nan 8.270 nan 0.000 0.430 2581 R N -0.157 120.322 120.500 -0.035 0.000 2.066 2581 R HA -0.060 4.280 4.340 0.000 0.000 0.232 2581 R C 2.157 178.395 176.300 -0.103 0.000 1.131 2581 R CA 1.096 57.162 56.100 -0.056 0.000 0.955 2581 R CB 0.049 30.322 30.300 -0.044 0.000 0.851 2581 R HN 0.135 nan 8.270 nan 0.000 0.432 2582 M N 0.763 120.276 119.600 -0.145 0.000 2.229 2582 M HA -0.104 4.376 4.480 0.000 0.000 0.264 2582 M C 1.647 177.786 176.300 -0.268 0.000 1.063 2582 M CA 1.412 56.569 55.300 -0.238 0.000 1.114 2582 M CB -1.096 31.249 32.600 -0.426 0.000 1.387 2582 M HN 0.293 nan 8.290 nan 0.000 0.420 2583 N N 0.223 118.842 118.700 -0.135 0.000 2.171 2583 N HA -0.057 4.683 4.740 0.000 0.000 0.184 2583 N C 1.834 177.265 175.510 -0.132 0.000 1.021 2583 N CA 1.049 54.029 53.050 -0.117 0.000 0.854 2583 N CB 0.083 38.576 38.487 0.009 0.000 0.994 2583 N HN 0.297 nan 8.380 nan 0.000 0.426 2584 I N 0.905 121.421 120.570 -0.091 0.000 2.286 2584 I HA -0.232 3.938 4.170 0.000 0.000 0.248 2584 I C 1.902 177.959 176.117 -0.099 0.000 1.115 2584 I CA 0.708 61.966 61.300 -0.070 0.000 1.392 2584 I CB -0.027 37.948 38.000 -0.042 0.000 1.065 2584 I HN 0.076 nan 8.210 nan 0.000 0.418 2585 L N 0.715 121.858 121.223 -0.133 0.000 2.005 2585 L HA -0.143 4.197 4.340 0.000 0.000 0.207 2585 L C 2.729 179.493 176.870 -0.175 0.000 1.072 2585 L CA 2.192 56.949 54.840 -0.138 0.000 0.744 2585 L CB -1.312 40.661 42.059 -0.143 0.000 0.895 2585 L HN 0.191 nan 8.230 nan 0.000 0.433 2586 A N -0.579 122.065 122.820 -0.295 0.000 1.917 2586 A HA -0.169 4.151 4.320 0.000 0.000 0.219 2586 A C 2.398 179.870 177.584 -0.188 0.000 1.182 2586 A CA 1.956 53.789 52.037 -0.341 0.000 0.633 2586 A CB -1.418 17.133 19.000 -0.750 0.000 0.819 2586 A HN 0.463 nan 8.150 nan 0.000 0.448 2587 G N -0.901 107.807 108.800 -0.154 0.000 2.404 2587 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 2587 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 2587 G C 1.751 176.609 174.900 -0.071 0.000 1.174 2587 G CA 1.020 46.068 45.100 -0.086 0.000 0.780 2587 G HN 0.566 nan 8.290 nan 0.000 0.537 2588 R N 0.015 120.470 120.500 -0.074 0.000 2.092 2588 R HA 0.068 4.408 4.340 0.000 0.000 0.231 2588 R C 2.542 178.806 176.300 -0.059 0.000 1.119 2588 R CA 0.914 56.977 56.100 -0.061 0.000 0.970 2588 R CB -0.315 29.951 30.300 -0.057 0.000 0.864 2588 R HN 0.424 nan 8.270 nan 0.000 0.440 2589 I N 0.729 121.257 120.570 -0.070 0.000 2.208 2589 I HA -0.311 3.859 4.170 0.000 0.000 0.245 2589 I C 2.043 178.132 176.117 -0.047 0.000 1.097 2589 I CA 0.922 62.186 61.300 -0.059 0.000 1.363 2589 I CB -0.211 37.748 38.000 -0.070 0.000 1.051 2589 I HN 0.212 nan 8.210 nan 0.000 0.413 2590 I N 1.025 121.566 120.570 -0.049 0.000 2.179 2590 I HA -0.276 3.894 4.170 0.000 0.000 0.242 2590 I C 2.857 178.954 176.117 -0.033 0.000 1.088 2590 I CA 1.767 63.046 61.300 -0.035 0.000 1.357 2590 I CB -1.529 36.452 38.000 -0.032 0.000 1.051 2590 I HN 0.192 nan 8.210 nan 0.000 0.409 2591 A N 0.282 123.079 122.820 -0.039 0.000 1.933 2591 A HA -0.186 4.134 4.320 0.000 0.000 0.218 2591 A C 2.158 179.721 177.584 -0.036 0.000 1.175 2591 A CA 1.371 53.385 52.037 -0.038 0.000 0.628 2591 A CB -0.414 18.559 19.000 -0.044 0.000 0.814 2591 A HN 0.369 nan 8.150 nan 0.000 0.444 2592 E N -0.458 119.720 120.200 -0.037 0.000 2.106 2592 E HA -0.106 4.244 4.350 0.000 0.000 0.192 2592 E C 2.085 178.668 176.600 -0.029 0.000 0.984 2592 E CA 1.614 57.994 56.400 -0.033 0.000 0.806 2592 E CB -0.655 29.025 29.700 -0.034 0.000 0.750 2592 E HN 0.601 nan 8.360 nan 0.000 0.458 2593 T N 1.046 115.584 114.554 -0.027 0.000 2.770 2593 T HA -0.091 4.260 4.350 0.000 0.000 0.263 2593 T C 2.124 176.812 174.700 -0.020 0.000 1.039 2593 T CA 1.637 63.724 62.100 -0.022 0.000 1.142 2593 T CB -0.110 68.747 68.868 -0.018 0.000 0.868 2593 T HN 0.200 nan 8.240 nan 0.000 0.435 2594 V N 1.878 121.779 119.914 -0.022 0.000 2.788 2594 V HA 0.050 4.170 4.120 0.000 0.000 0.251 2594 V C 2.345 178.425 176.094 -0.023 0.000 1.068 2594 V CA 1.125 63.413 62.300 -0.020 0.000 1.090 2594 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 2594 V HN 0.464 nan 8.190 nan 0.000 0.467 2595 R N 2.719 123.203 120.500 -0.028 0.000 2.193 2595 R HA -0.079 4.261 4.340 0.000 0.000 0.229 2595 R C 2.010 178.292 176.300 -0.030 0.000 1.110 2595 R CA 1.667 57.748 56.100 -0.031 0.000 0.988 2595 R CB -1.065 29.214 30.300 -0.035 0.000 0.871 2595 R HN 0.681 nan 8.270 nan 0.000 0.458 2596 S N 0.187 115.870 115.700 -0.027 0.000 2.555 2596 S HA -0.077 4.393 4.470 0.000 0.000 0.230 2596 S C 1.695 176.279 174.600 -0.026 0.000 0.978 2596 S CA 0.788 58.971 58.200 -0.027 0.000 0.934 2596 S CB 0.059 63.245 63.200 -0.024 0.000 0.766 2596 S HN 0.588 nan 8.310 nan 0.000 0.533 2597 T N -1.168 113.371 114.554 -0.024 0.000 3.014 2597 T HA 0.328 4.678 4.350 0.000 0.000 0.250 2597 T C 0.392 175.078 174.700 -0.024 0.000 1.060 2597 T CA -0.451 61.636 62.100 -0.021 0.000 1.040 2597 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 2597 T HN 0.266 nan 8.240 nan 0.000 0.497 2598 L N 2.758 123.965 121.223 -0.028 0.000 2.410 2598 L HA 0.557 4.897 4.340 0.000 0.000 0.273 2598 L C 0.635 177.481 176.870 -0.040 0.000 1.152 2598 L CA 1.556 56.379 54.840 -0.030 0.000 0.855 2598 L CB -0.371 41.669 42.059 -0.031 0.000 1.129 2598 L HN 0.735 nan 8.230 nan 0.000 0.463 2599 G N 3.938 112.714 108.800 -0.040 0.000 2.662 2599 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 2599 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 2599 G C -2.147 172.706 174.900 -0.079 0.000 1.271 2599 G CA -0.459 44.604 45.100 -0.062 0.000 0.816 2599 G HN 0.488 nan 8.290 nan 0.000 0.608 2600 P HA -0.023 nan 4.420 nan 0.000 0.217 2600 P C 1.443 178.651 177.300 -0.154 0.000 1.148 2600 P CA 1.489 64.477 63.100 -0.187 0.000 0.828 2600 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 2601 K N -1.011 119.299 120.400 -0.150 0.000 2.397 2601 K HA 0.243 4.563 4.320 0.000 0.000 0.202 2601 K C 1.034 177.593 176.600 -0.069 0.000 1.022 2601 K CA -0.182 56.042 56.287 -0.105 0.000 1.141 2601 K CB -0.126 32.307 32.500 -0.111 0.000 0.857 2601 K HN 0.040 nan 8.250 nan 0.000 0.514 2602 G N 0.532 109.296 108.800 -0.061 0.000 2.527 2602 G HA2 0.200 4.160 3.960 0.000 0.000 0.248 2602 G HA3 0.200 4.160 3.960 0.000 0.000 0.248 2602 G C -0.020 174.861 174.900 -0.031 0.000 1.231 2602 G CA -0.421 44.654 45.100 -0.042 0.000 0.838 2602 G HN -0.054 nan 8.290 nan 0.000 0.570 2603 M N 0.156 119.741 119.600 -0.026 0.000 2.531 2603 M HA 0.427 4.907 4.480 0.000 0.000 0.262 2603 M C -0.608 175.683 176.300 -0.015 0.000 1.168 2603 M CA -0.545 54.742 55.300 -0.020 0.000 0.926 2603 M CB 1.384 33.971 32.600 -0.021 0.000 1.445 2603 M HN 0.351 nan 8.290 nan 0.000 0.531 2604 D N 0.330 120.722 120.400 -0.013 0.000 2.374 2604 D HA 0.505 5.145 4.640 0.000 0.000 0.239 2604 D C -0.625 175.668 176.300 -0.011 0.000 0.991 2604 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 2604 D CB 1.383 42.180 40.800 -0.005 0.000 1.284 2604 D HN 0.100 nan 8.370 nan 0.000 0.512 2605 K N 0.682 121.078 120.400 -0.007 0.000 2.259 2605 K HA 0.503 4.823 4.320 0.000 0.000 0.249 2605 K C -0.679 175.917 176.600 -0.007 0.000 0.942 2605 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 2605 K CB 2.321 34.818 32.500 -0.004 0.000 1.155 2605 K HN 0.438 nan 8.250 nan 0.000 0.428 2606 M N 3.625 123.218 119.600 -0.012 0.000 2.046 2606 M HA 0.287 4.767 4.480 0.000 0.000 0.309 2606 M C -1.683 174.615 176.300 -0.004 0.000 0.935 2606 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 2606 M CB 0.533 33.112 32.600 -0.035 0.000 1.474 2606 M HN 0.348 nan 8.290 nan 0.000 0.415 2607 L N 6.000 127.229 121.223 0.009 0.000 2.280 2607 L HA 0.529 4.869 4.340 0.000 0.000 0.287 2607 L C -0.859 176.024 176.870 0.021 0.000 1.023 2607 L CA -0.331 54.517 54.840 0.013 0.000 0.819 2607 L CB 1.757 43.825 42.059 0.016 0.000 1.212 2607 L HN 0.408 nan 8.230 nan 0.000 0.420 2608 V N 2.830 122.753 119.914 0.015 0.000 2.378 2608 V HA 0.342 4.462 4.120 0.000 0.000 0.288 2608 V C -0.151 175.954 176.094 0.017 0.000 1.016 2608 V CA -0.959 61.353 62.300 0.019 0.000 0.840 2608 V CB 1.396 33.227 31.823 0.013 0.000 0.994 2608 V HN 0.798 nan 8.190 nan 0.000 0.431 2609 D N 3.555 123.967 120.400 0.020 0.000 2.380 2609 D HA -0.008 4.633 4.640 0.000 0.000 0.254 2609 D C 1.042 177.350 176.300 0.014 0.000 1.288 2609 D CA -0.219 53.791 54.000 0.017 0.000 1.008 2609 D CB 0.480 41.290 40.800 0.017 0.000 1.099 2609 D HN 0.562 nan 8.370 nan 0.000 0.537 2610 D N -0.886 119.522 120.400 0.012 0.000 2.371 2610 D HA -0.121 4.519 4.640 0.000 0.000 0.221 2610 D C 1.595 177.901 176.300 0.011 0.000 0.986 2610 D CA 0.494 54.500 54.000 0.011 0.000 0.899 2610 D CB -0.166 40.640 40.800 0.010 0.000 0.902 2610 D HN 0.390 nan 8.370 nan 0.000 0.530 2611 L N -0.944 120.286 121.223 0.012 0.000 2.590 2611 L HA 0.322 4.662 4.340 0.000 0.000 0.227 2611 L C 1.750 178.628 176.870 0.015 0.000 1.099 2611 L CA 0.494 55.341 54.840 0.012 0.000 0.872 2611 L CB 0.339 42.405 42.059 0.012 0.000 1.088 2611 L HN 0.287 nan 8.230 nan 0.000 0.479 2612 G N -0.232 108.578 108.800 0.017 0.000 2.201 2612 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 2612 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 2612 G C 0.061 174.980 174.900 0.030 0.000 0.994 2612 G CA -0.063 45.049 45.100 0.020 0.000 0.644 2612 G HN 0.305 nan 8.290 nan 0.000 0.508 2613 D N 1.281 121.700 120.400 0.032 0.000 2.434 2613 D HA 0.376 5.016 4.640 0.000 0.000 0.252 2613 D C 0.523 176.860 176.300 0.062 0.000 1.185 2613 D CA 0.241 54.267 54.000 0.044 0.000 0.886 2613 D CB 1.087 41.905 40.800 0.031 0.000 1.148 2613 D HN 0.230 nan 8.370 nan 0.000 0.483 2614 V N 4.884 124.862 119.914 0.107 0.000 2.370 2614 V HA 0.260 4.380 4.120 0.000 0.000 0.279 2614 V C 0.230 176.466 176.094 0.237 0.000 1.029 2614 V CA -0.833 61.547 62.300 0.134 0.000 0.870 2614 V CB 1.618 33.503 31.823 0.103 0.000 0.984 2614 V HN 0.327 nan 8.190 nan 0.000 0.451 2615 V N 6.018 126.013 119.914 0.134 0.000 2.357 2615 V HA 0.423 4.543 4.120 0.000 0.000 0.284 2615 V C -0.162 175.997 176.094 0.107 0.000 1.018 2615 V CA -0.507 61.875 62.300 0.137 0.000 0.841 2615 V CB 1.802 33.667 31.823 0.071 0.000 0.991 2615 V HN 0.606 nan 8.190 nan 0.000 0.437 2616 V N 4.670 124.688 119.914 0.173 0.000 2.350 2616 V HA 0.710 4.830 4.120 0.000 0.000 0.285 2616 V C 0.073 176.217 176.094 0.083 0.000 1.014 2616 V CA 0.026 62.371 62.300 0.075 0.000 0.831 2616 V CB 1.553 33.365 31.823 -0.017 0.000 1.000 2616 V HN 0.978 nan 8.190 nan 0.000 0.433 2617 T N 2.716 117.296 114.554 0.043 0.000 2.792 2617 T HA 0.334 4.684 4.350 0.000 0.000 0.303 2617 T C 0.151 174.861 174.700 0.017 0.000 1.310 2617 T CA -0.342 61.779 62.100 0.034 0.000 1.007 2617 T CB 2.141 71.028 68.868 0.032 0.000 1.335 2617 T HN 0.560 nan 8.240 nan 0.000 0.504 2618 N N 0.283 118.991 118.700 0.014 0.000 2.257 2618 N HA 0.118 4.858 4.740 0.000 0.000 0.200 2618 N C -0.806 174.707 175.510 0.004 0.000 1.163 2618 N CA 0.083 53.136 53.050 0.006 0.000 0.891 2618 N CB 0.463 38.953 38.487 0.005 0.000 1.067 2618 N HN 0.610 nan 8.380 nan 0.000 0.497 2619 D N -0.005 120.400 120.400 0.008 0.000 2.434 2619 D HA 0.157 4.797 4.640 0.000 0.000 0.252 2619 D C 1.370 177.671 176.300 0.003 0.000 1.185 2619 D CA 0.212 54.216 54.000 0.005 0.000 0.886 2619 D CB 1.113 41.918 40.800 0.008 0.000 1.148 2619 D HN 0.251 nan 8.370 nan 0.000 0.483 2620 G N 1.626 110.426 108.800 -0.001 0.000 2.421 2620 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 2620 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 2620 G C 1.537 176.436 174.900 -0.001 0.000 1.171 2620 G CA 0.326 45.424 45.100 -0.003 0.000 0.775 2620 G HN 0.461 nan 8.290 nan 0.000 0.543 2621 V N 0.826 120.741 119.914 0.000 0.000 2.490 2621 V HA -0.129 3.991 4.120 0.000 0.000 0.250 2621 V C 2.925 179.021 176.094 0.005 0.000 1.061 2621 V CA 2.878 65.180 62.300 0.002 0.000 1.064 2621 V CB -0.614 31.210 31.823 0.002 0.000 0.670 2621 V HN 0.403 nan 8.190 nan 0.000 0.461 2622 T N 0.536 115.093 114.554 0.006 0.000 2.812 2622 T HA -0.045 4.305 4.350 0.000 0.000 0.264 2622 T C 1.759 176.464 174.700 0.009 0.000 1.042 2622 T CA 1.911 64.016 62.100 0.008 0.000 1.140 2622 T CB -0.261 68.613 68.868 0.010 0.000 0.870 2622 T HN 0.474 nan 8.240 nan 0.000 0.445 2623 I N 0.654 121.229 120.570 0.008 0.000 2.264 2623 I HA -0.150 4.020 4.170 0.000 0.000 0.248 2623 I C 2.014 178.135 176.117 0.007 0.000 1.111 2623 I CA 0.917 62.221 61.300 0.007 0.000 1.382 2623 I CB -0.272 37.730 38.000 0.003 0.000 1.060 2623 I HN 0.163 nan 8.210 nan 0.000 0.418 2624 L N 0.229 121.455 121.223 0.005 0.000 2.156 2624 L HA -0.100 4.240 4.340 0.000 0.000 0.208 2624 L C 2.523 179.399 176.870 0.009 0.000 1.095 2624 L CA 1.616 56.460 54.840 0.006 0.000 0.770 2624 L CB -0.764 41.297 42.059 0.004 0.000 0.914 2624 L HN 0.095 nan 8.230 nan 0.000 0.439 2625 R N -0.851 119.655 120.500 0.009 0.000 2.075 2625 R HA -0.097 4.243 4.340 0.000 0.000 0.232 2625 R C 2.033 178.340 176.300 0.011 0.000 1.126 2625 R CA 0.956 57.062 56.100 0.010 0.000 0.963 2625 R CB -0.111 30.194 30.300 0.009 0.000 0.858 2625 R HN 0.319 nan 8.270 nan 0.000 0.435 2626 E N 0.875 121.082 120.200 0.012 0.000 2.086 2626 E HA -0.060 4.290 4.350 0.000 0.000 0.190 2626 E C 1.222 177.830 176.600 0.013 0.000 0.975 2626 E CA 0.501 56.909 56.400 0.013 0.000 0.813 2626 E CB -0.125 29.584 29.700 0.015 0.000 0.768 2626 E HN 0.355 nan 8.360 nan 0.000 0.457 2627 M N -0.035 119.572 119.600 0.012 0.000 2.240 2627 M HA 0.090 4.570 4.480 0.000 0.000 0.317 2627 M C 0.509 176.817 176.300 0.014 0.000 1.087 2627 M CA 0.358 55.665 55.300 0.012 0.000 1.176 2627 M CB 0.539 33.145 32.600 0.010 0.000 1.439 2627 M HN -0.257 nan 8.290 nan 0.000 0.452 2628 S N 2.207 117.916 115.700 0.015 0.000 2.473 2628 S HA 0.440 4.910 4.470 0.000 0.000 0.312 2628 S C -0.730 173.884 174.600 0.023 0.000 1.087 2628 S CA -0.790 57.421 58.200 0.018 0.000 1.077 2628 S CB -0.280 62.930 63.200 0.017 0.000 1.065 2628 S HN 0.516 nan 8.310 nan 0.000 0.510 2629 V N 5.667 125.597 119.914 0.027 0.000 2.439 2629 V HA 0.400 4.520 4.120 0.000 0.000 0.282 2629 V C 0.720 176.842 176.094 0.047 0.000 1.039 2629 V CA -0.379 61.944 62.300 0.038 0.000 0.913 2629 V CB 1.637 33.483 31.823 0.038 0.000 0.983 2629 V HN 0.779 nan 8.190 nan 0.000 0.460 2630 E N 1.086 121.325 120.200 0.065 0.000 2.256 2630 E HA 0.084 4.434 4.350 0.000 0.000 0.198 2630 E C 0.727 177.376 176.600 0.082 0.000 0.908 2630 E CA 0.072 56.509 56.400 0.062 0.000 0.915 2630 E CB -0.000 29.735 29.700 0.058 0.000 0.890 2630 E HN 0.692 nan 8.360 nan 0.000 0.484 2631 H N 2.795 121.882 119.070 0.028 0.000 2.886 2631 H HA 0.024 4.580 4.556 0.000 0.000 0.329 2631 H C -1.713 173.632 175.328 0.027 0.000 1.044 2631 H CA -1.266 54.802 56.048 0.033 0.000 1.456 2631 H CB 1.446 31.213 29.762 0.007 0.000 1.464 2631 H HN -0.190 nan 8.280 nan 0.000 0.573 2632 P HA -0.125 nan 4.420 nan 0.000 0.218 2632 P C 1.051 178.469 177.300 0.197 0.000 1.148 2632 P CA 1.938 65.093 63.100 0.091 0.000 0.822 2632 P CB 0.146 31.848 31.700 0.004 0.000 0.784 2633 A N 0.009 123.088 122.820 0.431 0.000 1.898 2633 A HA -0.046 4.274 4.320 0.000 0.000 0.216 2633 A C 2.315 179.950 177.584 0.084 0.000 1.181 2633 A CA 1.886 54.046 52.037 0.204 0.000 0.620 2633 A CB -1.540 17.511 19.000 0.086 0.000 0.819 2633 A HN 0.187 nan 8.150 nan 0.000 0.442 2634 A N -0.121 122.747 122.820 0.080 0.000 1.972 2634 A HA -0.136 4.184 4.320 0.000 0.000 0.219 2634 A C 2.071 179.682 177.584 0.045 0.000 1.169 2634 A CA 1.727 53.782 52.037 0.029 0.000 0.635 2634 A CB -0.390 18.624 19.000 0.022 0.000 0.810 2634 A HN 0.546 nan 8.150 nan 0.000 0.446 2635 K N -0.974 119.468 120.400 0.070 0.000 2.097 2635 K HA -0.057 4.263 4.320 0.000 0.000 0.205 2635 K C 1.889 178.514 176.600 0.041 0.000 1.050 2635 K CA 1.339 57.656 56.287 0.051 0.000 0.938 2635 K CB -0.206 32.326 32.500 0.053 0.000 0.718 2635 K HN 0.358 nan 8.250 nan 0.000 0.442 2636 M N 0.594 120.223 119.600 0.048 0.000 2.254 2636 M HA -0.067 4.413 4.480 0.000 0.000 0.265 2636 M C 2.151 178.467 176.300 0.026 0.000 1.066 2636 M CA 1.132 56.455 55.300 0.037 0.000 1.123 2636 M CB -0.656 31.971 32.600 0.043 0.000 1.388 2636 M HN 0.204 nan 8.290 nan 0.000 0.425 2637 L N 0.108 121.344 121.223 0.021 0.000 2.083 2637 L HA -0.201 4.139 4.340 0.000 0.000 0.209 2637 L C 2.216 179.091 176.870 0.009 0.000 1.083 2637 L CA 1.037 55.883 54.840 0.010 0.000 0.752 2637 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 2637 L HN 0.189 nan 8.230 nan 0.000 0.433 2638 I N -0.449 120.129 120.570 0.013 0.000 2.286 2638 I HA -0.283 3.887 4.170 0.000 0.000 0.248 2638 I C 2.439 178.563 176.117 0.012 0.000 1.115 2638 I CA 1.006 62.313 61.300 0.012 0.000 1.392 2638 I CB -0.319 37.691 38.000 0.015 0.000 1.065 2638 I HN 0.277 nan 8.210 nan 0.000 0.418 2639 E N 0.471 120.680 120.200 0.015 0.000 2.110 2639 E HA -0.156 4.194 4.350 0.000 0.000 0.193 2639 E C 2.431 179.038 176.600 0.012 0.000 0.988 2639 E CA 1.112 57.520 56.400 0.014 0.000 0.804 2639 E CB -0.275 29.436 29.700 0.018 0.000 0.745 2639 E HN 0.357 nan 8.360 nan 0.000 0.458 2640 V N 1.537 121.458 119.914 0.012 0.000 2.358 2640 V HA -0.231 3.889 4.120 0.000 0.000 0.246 2640 V C 2.462 178.560 176.094 0.006 0.000 1.047 2640 V CA 1.772 64.077 62.300 0.010 0.000 1.035 2640 V CB -0.819 31.009 31.823 0.009 0.000 0.658 2640 V HN 0.242 nan 8.190 nan 0.000 0.452 2641 A N -0.353 122.469 122.820 0.004 0.000 1.933 2641 A HA -0.217 4.103 4.320 0.000 0.000 0.218 2641 A C 2.284 179.870 177.584 0.004 0.000 1.175 2641 A CA 1.801 53.839 52.037 0.002 0.000 0.628 2641 A CB -0.396 18.604 19.000 0.001 0.000 0.814 2641 A HN 0.542 nan 8.150 nan 0.000 0.444 2642 K N -0.940 119.464 120.400 0.006 0.000 2.148 2642 K HA -0.062 4.258 4.320 0.000 0.000 0.204 2642 K C 1.988 178.591 176.600 0.005 0.000 1.050 2642 K CA 1.517 57.807 56.287 0.006 0.000 0.942 2642 K CB -0.278 32.226 32.500 0.007 0.000 0.724 2642 K HN 0.450 nan 8.250 nan 0.000 0.446 2643 T N 1.418 115.975 114.554 0.006 0.000 2.777 2643 T HA -0.115 4.235 4.350 0.000 0.000 0.266 2643 T C 1.810 176.513 174.700 0.005 0.000 1.040 2643 T CA 1.006 63.110 62.100 0.006 0.000 1.141 2643 T CB -0.032 68.841 68.868 0.008 0.000 0.868 2643 T HN 0.158 nan 8.240 nan 0.000 0.444 2644 Q N 0.745 120.547 119.800 0.004 0.000 2.124 2644 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 2644 Q C 2.349 178.350 176.000 0.002 0.000 0.977 2644 Q CA 1.322 57.127 55.803 0.002 0.000 0.850 2644 Q CB -0.409 28.329 28.738 0.000 0.000 0.901 2644 Q HN 0.553 nan 8.270 nan 0.000 0.429 2645 E N 1.372 121.573 120.200 0.002 0.000 2.051 2645 E HA -0.172 4.178 4.350 0.000 0.000 0.192 2645 E C 1.899 178.500 176.600 0.002 0.000 0.991 2645 E CA 1.390 57.792 56.400 0.002 0.000 0.799 2645 E CB -0.077 29.624 29.700 0.002 0.000 0.748 2645 E HN 0.055 nan 8.360 nan 0.000 0.449 2646 K N 0.055 120.456 120.400 0.002 0.000 2.057 2646 K HA -0.146 4.174 4.320 0.000 0.000 0.206 2646 K C 1.786 178.387 176.600 0.001 0.000 1.050 2646 K CA 1.376 57.664 56.287 0.001 0.000 0.935 2646 K CB 0.009 32.510 32.500 0.002 0.000 0.715 2646 K HN 0.155 nan 8.250 nan 0.000 0.439 2647 E N 0.072 120.273 120.200 0.002 0.000 2.033 2647 E HA -0.094 4.256 4.350 0.000 0.000 0.189 2647 E C 1.994 178.595 176.600 0.001 0.000 0.979 2647 E CA 1.687 58.087 56.400 0.002 0.000 0.802 2647 E CB 0.148 29.850 29.700 0.003 0.000 0.763 2647 E HN 0.339 nan 8.360 nan 0.000 0.449 2648 V N -4.821 115.094 119.914 0.001 0.000 3.562 2648 V HA 0.520 4.640 4.120 0.000 0.000 0.270 2648 V C 1.389 177.484 176.094 0.001 0.000 1.418 2648 V CA 0.856 63.156 62.300 0.001 0.000 1.033 2648 V CB 0.646 32.470 31.823 0.002 0.000 0.820 2648 V HN 0.301 nan 8.190 nan 0.000 0.441 2649 G N 0.762 109.562 108.800 0.001 0.000 4.365 2649 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 2649 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 2649 G C 0.161 175.062 174.900 0.002 0.000 1.450 2649 G CA 0.505 45.606 45.100 0.001 0.000 0.937 2649 G HN 0.627 nan 8.290 nan 0.000 0.625 2650 D N 1.170 121.571 120.400 0.003 0.000 2.506 2650 D HA 0.485 5.125 4.640 0.000 0.000 0.272 2650 D C 1.555 177.856 176.300 0.001 0.000 1.214 2650 D CA 1.171 55.172 54.000 0.003 0.000 1.067 2650 D CB 0.658 41.461 40.800 0.006 0.000 1.117 2650 D HN 1.621 nan 8.370 nan 0.000 0.578 2651 G N -0.493 108.307 108.800 -0.000 0.000 2.162 2651 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 2651 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 2651 G C 1.091 175.987 174.900 -0.007 0.000 0.976 2651 G CA 1.634 46.732 45.100 -0.004 0.000 0.655 2651 G HN 0.614 nan 8.290 nan 0.000 0.533 2652 T N -2.491 112.060 114.554 -0.006 0.000 2.674 2652 T HA -0.121 4.229 4.350 0.000 0.000 0.265 2652 T C 2.241 176.934 174.700 -0.012 0.000 1.039 2652 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 2652 T CB -0.808 68.058 68.868 -0.004 0.000 0.864 2652 T HN 0.355 nan 8.240 nan 0.000 0.427 2653 T N 2.446 116.993 114.554 -0.012 0.000 2.720 2653 T HA -0.127 4.223 4.350 0.000 0.000 0.268 2653 T C 2.435 177.120 174.700 -0.025 0.000 1.037 2653 T CA 2.144 64.233 62.100 -0.018 0.000 1.144 2653 T CB -1.038 67.820 68.868 -0.016 0.000 0.864 2653 T HN 0.843 nan 8.240 nan 0.000 0.444 2654 T N 0.768 115.307 114.554 -0.024 0.000 2.867 2654 T HA 0.100 4.450 4.350 0.000 0.000 0.268 2654 T C 2.245 176.922 174.700 -0.039 0.000 1.057 2654 T CA 1.018 63.099 62.100 -0.033 0.000 1.136 2654 T CB -0.494 68.357 68.868 -0.028 0.000 0.874 2654 T HN 0.334 nan 8.240 nan 0.000 0.466 2655 A N 1.085 123.887 122.820 -0.030 0.000 1.898 2655 A HA 0.128 4.448 4.320 0.000 0.000 0.216 2655 A C 2.607 180.169 177.584 -0.035 0.000 1.181 2655 A CA 1.473 53.492 52.037 -0.031 0.000 0.620 2655 A CB -0.960 18.029 19.000 -0.018 0.000 0.819 2655 A HN 0.426 nan 8.150 nan 0.000 0.442 2656 V N -0.542 119.353 119.914 -0.031 0.000 2.358 2656 V HA -0.191 3.929 4.120 0.000 0.000 0.246 2656 V C 2.548 178.615 176.094 -0.044 0.000 1.047 2656 V CA 1.848 64.129 62.300 -0.032 0.000 1.035 2656 V CB -0.723 31.085 31.823 -0.025 0.000 0.658 2656 V HN 0.353 nan 8.190 nan 0.000 0.452 2657 V N -0.569 119.317 119.914 -0.047 0.000 2.307 2657 V HA -0.196 3.924 4.120 0.000 0.000 0.245 2657 V C 2.449 178.499 176.094 -0.074 0.000 1.045 2657 V CA 2.048 64.314 62.300 -0.055 0.000 1.024 2657 V CB -0.256 31.536 31.823 -0.051 0.000 0.651 2657 V HN 0.416 nan 8.190 nan 0.000 0.449 2658 V N -0.005 119.858 119.914 -0.086 0.000 2.515 2658 V HA -0.168 3.952 4.120 0.000 0.000 0.250 2658 V C 2.504 178.513 176.094 -0.142 0.000 1.058 2658 V CA 1.957 64.182 62.300 -0.126 0.000 1.064 2658 V CB -0.208 31.532 31.823 -0.138 0.000 0.675 2658 V HN 0.521 nan 8.190 nan 0.000 0.461 2659 A N -0.225 122.535 122.820 -0.100 0.000 1.929 2659 A HA 0.037 4.357 4.320 0.000 0.000 0.216 2659 A C 2.325 179.869 177.584 -0.067 0.000 1.176 2659 A CA 1.583 53.571 52.037 -0.080 0.000 0.628 2659 A CB -1.132 17.841 19.000 -0.046 0.000 0.816 2659 A HN 0.586 nan 8.150 nan 0.000 0.444 2660 G N -0.369 108.393 108.800 -0.064 0.000 2.418 2660 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 2660 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 2660 G C 1.472 176.337 174.900 -0.059 0.000 1.158 2660 G CA 1.310 46.377 45.100 -0.055 0.000 0.771 2660 G HN 0.555 nan 8.290 nan 0.000 0.545 2661 E N -0.037 120.116 120.200 -0.077 0.000 2.107 2661 E HA -0.035 4.315 4.350 0.000 0.000 0.191 2661 E C 2.280 178.826 176.600 -0.090 0.000 0.982 2661 E CA 0.387 56.738 56.400 -0.082 0.000 0.809 2661 E CB -0.396 29.243 29.700 -0.101 0.000 0.756 2661 E HN 0.251 nan 8.360 nan 0.000 0.459 2662 L N 0.155 121.299 121.223 -0.131 0.000 2.083 2662 L HA -0.087 4.253 4.340 0.000 0.000 0.209 2662 L C 1.996 178.862 176.870 -0.006 0.000 1.083 2662 L CA 1.597 56.338 54.840 -0.165 0.000 0.752 2662 L CB -0.370 41.539 42.059 -0.251 0.000 0.899 2662 L HN 0.262 nan 8.230 nan 0.000 0.433 2663 L N -1.185 120.042 121.223 0.005 0.000 2.109 2663 L HA -0.151 4.189 4.340 0.000 0.000 0.207 2663 L C 2.690 179.578 176.870 0.029 0.000 1.086 2663 L CA 1.014 55.879 54.840 0.041 0.000 0.760 2663 L CB -0.484 41.580 42.059 0.007 0.000 0.910 2663 L HN 0.242 nan 8.230 nan 0.000 0.437 2664 R N 0.717 121.217 120.500 -0.000 0.000 2.091 2664 R HA -0.145 4.195 4.340 0.000 0.000 0.238 2664 R C 2.198 178.510 176.300 0.020 0.000 1.136 2664 R CA 1.478 57.576 56.100 -0.003 0.000 0.959 2664 R CB -0.116 30.171 30.300 -0.022 0.000 0.856 2664 R HN 0.068 nan 8.270 nan 0.000 0.437 2665 K N -0.089 120.332 120.400 0.035 0.000 2.155 2665 K HA 0.083 4.403 4.320 0.000 0.000 0.203 2665 K C 1.921 178.605 176.600 0.139 0.000 1.052 2665 K CA 1.125 57.456 56.287 0.074 0.000 0.948 2665 K CB -0.219 32.320 32.500 0.065 0.000 0.728 2665 K HN 0.291 nan 8.250 nan 0.000 0.448 2666 A N 1.445 124.375 122.820 0.182 0.000 1.933 2666 A HA -0.190 4.130 4.320 0.000 0.000 0.218 2666 A C 2.128 179.747 177.584 0.058 0.000 1.175 2666 A CA 1.614 53.746 52.037 0.158 0.000 0.628 2666 A CB -0.350 18.768 19.000 0.197 0.000 0.814 2666 A HN 0.420 nan 8.150 nan 0.000 0.444 2667 E N -0.407 119.818 120.200 0.042 0.000 2.106 2667 E HA -0.195 4.155 4.350 0.000 0.000 0.192 2667 E C 1.739 178.346 176.600 0.012 0.000 0.984 2667 E CA 1.031 57.439 56.400 0.014 0.000 0.806 2667 E CB -0.036 29.666 29.700 0.003 0.000 0.750 2667 E HN 0.524 nan 8.360 nan 0.000 0.458 2668 E N 0.501 120.715 120.200 0.024 0.000 2.110 2668 E HA -0.172 4.178 4.350 0.000 0.000 0.193 2668 E C 2.243 178.854 176.600 0.019 0.000 0.988 2668 E CA 0.730 57.143 56.400 0.021 0.000 0.804 2668 E CB -0.143 29.574 29.700 0.029 0.000 0.745 2668 E HN 0.403 nan 8.360 nan 0.000 0.458 2669 L N 0.060 121.299 121.223 0.026 0.000 2.093 2669 L HA -0.163 4.177 4.340 0.000 0.000 0.208 2669 L C 2.293 179.157 176.870 -0.010 0.000 1.085 2669 L CA 0.362 55.207 54.840 0.010 0.000 0.755 2669 L CB -0.284 41.775 42.059 0.000 0.000 0.904 2669 L HN 0.120 nan 8.230 nan 0.000 0.435 2670 L N -0.182 121.032 121.223 -0.014 0.000 2.141 2670 L HA -0.208 4.132 4.340 0.000 0.000 0.209 2670 L C 2.071 178.931 176.870 -0.017 0.000 1.094 2670 L CA 1.666 56.491 54.840 -0.025 0.000 0.763 2670 L CB -0.800 41.242 42.059 -0.027 0.000 0.908 2670 L HN 0.225 nan 8.230 nan 0.000 0.437 2671 D N -1.369 119.027 120.400 -0.007 0.000 2.178 2671 D HA -0.169 4.471 4.640 0.000 0.000 0.202 2671 D C 1.900 178.199 176.300 -0.002 0.000 0.974 2671 D CA 0.754 54.752 54.000 -0.004 0.000 0.841 2671 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 2671 D HN 0.217 nan 8.370 nan 0.000 0.478 2672 Q N 0.033 119.833 119.800 -0.000 0.000 2.444 2672 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 2672 Q C 0.035 176.035 176.000 0.001 0.000 0.948 2672 Q CA 0.209 56.014 55.803 0.002 0.000 0.946 2672 Q CB 0.147 28.889 28.738 0.007 0.000 1.027 2672 Q HN 0.363 nan 8.270 nan 0.000 0.513 2673 N N -0.210 118.487 118.700 -0.005 0.000 2.780 2673 N HA -0.135 4.605 4.740 0.000 0.000 0.248 2673 N C -0.905 174.606 175.510 0.002 0.000 1.102 2673 N CA 0.403 53.450 53.050 -0.005 0.000 0.697 2673 N CB -1.768 36.721 38.487 0.003 0.000 1.028 2673 N HN 0.007 nan 8.380 nan 0.000 0.554 2674 V N 1.767 121.677 119.914 -0.006 0.000 2.408 2674 V HA 0.062 4.182 4.120 0.000 0.000 0.267 2674 V C 1.131 177.223 176.094 -0.004 0.000 1.047 2674 V CA -0.569 61.732 62.300 0.003 0.000 0.937 2674 V CB 1.128 32.943 31.823 -0.013 0.000 0.999 2674 V HN 0.288 nan 8.190 nan 0.000 0.472 2675 H N 8.311 127.360 119.070 -0.036 0.000 3.001 2675 H HA 0.026 4.583 4.556 0.000 0.000 0.334 2675 H C -1.665 173.632 175.328 -0.051 0.000 1.034 2675 H CA -1.130 54.897 56.048 -0.034 0.000 1.420 2675 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 2675 H HN 0.383 nan 8.280 nan 0.000 0.593 2676 P HA -0.187 nan 4.420 nan 0.000 0.217 2676 P C 1.414 178.739 177.300 0.041 0.000 1.148 2676 P CA 2.560 65.595 63.100 -0.109 0.000 0.834 2676 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 2677 T N -4.118 110.605 114.554 0.282 0.000 3.023 2677 T HA 0.000 4.351 4.350 0.000 0.000 0.266 2677 T C 1.753 176.481 174.700 0.047 0.000 1.093 2677 T CA 0.677 62.864 62.100 0.146 0.000 1.129 2677 T CB -1.041 67.896 68.868 0.115 0.000 0.899 2677 T HN 0.059 nan 8.240 nan 0.000 0.491 2678 I N 0.812 121.417 120.570 0.058 0.000 2.333 2678 I HA -0.048 4.122 4.170 0.000 0.000 0.246 2678 I C 2.622 178.684 176.117 -0.090 0.000 1.106 2678 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 2678 I CB -0.330 37.675 38.000 0.010 0.000 1.082 2678 I HN 0.093 nan 8.210 nan 0.000 0.420 2679 V N 1.270 121.095 119.914 -0.147 0.000 2.255 2679 V HA -0.250 3.870 4.120 0.000 0.000 0.247 2679 V C 2.562 178.314 176.094 -0.569 0.000 1.051 2679 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 2679 V CB -0.667 30.940 31.823 -0.360 0.000 0.641 2679 V HN 0.482 nan 8.190 nan 0.000 0.445 2680 V N -1.331 118.410 119.914 -0.289 0.000 2.809 2680 V HA -0.145 3.975 4.120 0.000 0.000 0.256 2680 V C 2.237 178.307 176.094 -0.040 0.000 1.080 2680 V CA 2.139 64.360 62.300 -0.132 0.000 1.102 2680 V CB -0.759 31.051 31.823 -0.021 0.000 0.705 2680 V HN 0.554 nan 8.190 nan 0.000 0.475 2681 K N 1.304 121.670 120.400 -0.057 0.000 2.025 2681 K HA -0.001 4.319 4.320 0.000 0.000 0.207 2681 K C 2.203 178.804 176.600 0.002 0.000 1.049 2681 K CA 1.661 57.937 56.287 -0.018 0.000 0.933 2681 K CB -0.813 31.674 32.500 -0.022 0.000 0.714 2681 K HN 0.526 nan 8.250 nan 0.000 0.438 2682 G N -0.147 108.646 108.800 -0.011 0.000 2.408 2682 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 2682 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 2682 G C 1.143 176.138 174.900 0.157 0.000 1.150 2682 G CA 0.555 45.694 45.100 0.064 0.000 0.776 2682 G HN 0.251 nan 8.290 nan 0.000 0.542 2683 Y N 0.398 120.674 120.300 -0.040 0.000 2.242 2683 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 2683 Y C 2.863 178.606 175.900 -0.260 0.000 1.137 2683 Y CA 1.009 59.037 58.100 -0.121 0.000 1.181 2683 Y CB -0.865 37.657 38.460 0.104 0.000 0.989 2683 Y HN 0.273 nan 8.280 nan 0.000 0.527 2684 Q N 0.311 120.142 119.800 0.051 0.000 2.083 2684 Q HA -0.038 4.302 4.340 0.000 0.000 0.198 2684 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 2684 Q CA 1.690 57.488 55.803 -0.007 0.000 0.838 2684 Q CB -0.473 28.277 28.738 0.021 0.000 0.900 2684 Q HN 0.314 nan 8.270 nan 0.000 0.436 2685 A N 0.368 123.173 122.820 -0.024 0.000 1.877 2685 A HA -0.039 4.281 4.320 0.000 0.000 0.216 2685 A C 2.289 179.843 177.584 -0.050 0.000 1.186 2685 A CA 1.981 54.042 52.037 0.041 0.000 0.620 2685 A CB -1.223 17.872 19.000 0.158 0.000 0.822 2685 A HN 0.505 nan 8.150 nan 0.000 0.443 2686 A N -0.339 122.370 122.820 -0.186 0.000 1.930 2686 A HA 0.217 4.537 4.320 0.000 0.000 0.217 2686 A C 2.461 179.668 177.584 -0.628 0.000 1.175 2686 A CA 1.924 53.708 52.037 -0.421 0.000 0.627 2686 A CB -0.890 17.731 19.000 -0.631 0.000 0.815 2686 A HN 1.025 nan 8.150 nan 0.000 0.443 2687 A N -1.129 121.253 122.820 -0.730 0.000 1.930 2687 A HA -0.141 4.179 4.320 0.000 0.000 0.217 2687 A C 2.119 179.600 177.584 -0.172 0.000 1.175 2687 A CA 1.519 53.342 52.037 -0.357 0.000 0.627 2687 A CB -0.395 18.481 19.000 -0.207 0.000 0.815 2687 A HN 0.477 nan 8.150 nan 0.000 0.443 2688 Q N -0.293 119.403 119.800 -0.172 0.000 2.084 2688 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 2688 Q C 2.053 177.956 176.000 -0.163 0.000 0.978 2688 Q CA 1.869 57.598 55.803 -0.123 0.000 0.844 2688 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 2688 Q HN 0.613 nan 8.270 nan 0.000 0.426 2689 K N 0.978 121.209 120.400 -0.280 0.000 2.097 2689 K HA 0.012 4.332 4.320 0.000 0.000 0.205 2689 K C 1.832 178.306 176.600 -0.210 0.000 1.050 2689 K CA 1.203 57.276 56.287 -0.357 0.000 0.938 2689 K CB -0.447 31.579 32.500 -0.790 0.000 0.718 2689 K HN 0.122 nan 8.250 nan 0.000 0.442 2690 A N 0.619 123.347 122.820 -0.155 0.000 1.933 2690 A HA -0.211 4.109 4.320 0.000 0.000 0.218 2690 A C 2.078 179.647 177.584 -0.026 0.000 1.175 2690 A CA 1.693 53.706 52.037 -0.040 0.000 0.628 2690 A CB -0.516 18.525 19.000 0.068 0.000 0.814 2690 A HN 0.510 nan 8.150 nan 0.000 0.444 2691 Q N -0.632 119.144 119.800 -0.039 0.000 2.079 2691 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 2691 Q C 1.980 177.961 176.000 -0.031 0.000 0.974 2691 Q CA 1.604 57.392 55.803 -0.025 0.000 0.840 2691 Q CB -0.180 28.543 28.738 -0.026 0.000 0.898 2691 Q HN 0.774 nan 8.270 nan 0.000 0.430 2692 E N 0.523 120.691 120.200 -0.053 0.000 2.106 2692 E HA -0.156 4.194 4.350 0.000 0.000 0.192 2692 E C 2.045 178.623 176.600 -0.036 0.000 0.984 2692 E CA 0.737 57.108 56.400 -0.048 0.000 0.806 2692 E CB -0.025 29.633 29.700 -0.069 0.000 0.750 2692 E HN 0.307 nan 8.360 nan 0.000 0.458 2693 L N 0.567 121.765 121.223 -0.042 0.000 2.056 2693 L HA -0.191 4.149 4.340 0.000 0.000 0.207 2693 L C 2.435 179.303 176.870 -0.003 0.000 1.078 2693 L CA 0.889 55.717 54.840 -0.020 0.000 0.749 2693 L CB -0.325 41.722 42.059 -0.019 0.000 0.901 2693 L HN 0.169 nan 8.230 nan 0.000 0.433 2694 L N -0.442 120.780 121.223 -0.002 0.000 2.056 2694 L HA -0.206 4.134 4.340 0.000 0.000 0.207 2694 L C 2.597 179.469 176.870 0.003 0.000 1.078 2694 L CA 1.337 56.181 54.840 0.006 0.000 0.749 2694 L CB -0.430 41.633 42.059 0.007 0.000 0.901 2694 L HN 0.206 nan 8.230 nan 0.000 0.433 2695 K N -0.731 119.667 120.400 -0.003 0.000 2.148 2695 K HA -0.097 4.223 4.320 0.000 0.000 0.204 2695 K C 2.050 178.649 176.600 -0.002 0.000 1.050 2695 K CA 1.529 57.813 56.287 -0.003 0.000 0.942 2695 K CB -0.169 32.327 32.500 -0.007 0.000 0.724 2695 K HN 0.276 nan 8.250 nan 0.000 0.446 2696 T N 1.943 116.495 114.554 -0.003 0.000 2.777 2696 T HA -0.072 4.278 4.350 0.000 0.000 0.266 2696 T C 1.859 176.561 174.700 0.003 0.000 1.040 2696 T CA 1.261 63.360 62.100 -0.001 0.000 1.141 2696 T CB -0.127 68.740 68.868 -0.002 0.000 0.868 2696 T HN 0.385 nan 8.240 nan 0.000 0.444 2697 I N -0.325 120.250 120.570 0.008 0.000 3.578 2697 I HA 0.451 4.621 4.170 0.000 0.000 0.295 2697 I C 1.036 177.158 176.117 0.009 0.000 1.280 2697 I CA -0.554 60.753 61.300 0.011 0.000 1.347 2697 I CB -0.457 37.557 38.000 0.024 0.000 1.051 2697 I HN -0.055 nan 8.210 nan 0.000 0.460 2698 A N 1.578 124.402 122.820 0.007 0.000 2.548 2698 A HA 0.101 4.421 4.320 0.000 0.000 0.247 2698 A C 0.161 177.747 177.584 0.004 0.000 1.067 2698 A CA -0.016 52.024 52.037 0.006 0.000 0.757 2698 A CB -0.280 18.722 19.000 0.003 0.000 0.996 2698 A HN 0.642 nan 8.150 nan 0.000 0.504 2699 C N 3.611 122.913 119.300 0.004 0.000 2.265 2699 C HA 0.473 4.933 4.460 0.000 0.000 0.332 2699 C C 0.494 175.485 174.990 0.001 0.000 1.248 2699 C CA -0.585 58.434 59.018 0.002 0.000 1.727 2699 C CB -0.799 26.942 27.740 0.002 0.000 2.348 2699 C HN 0.930 nan 8.230 nan 0.000 0.519 2700 E N 3.840 124.040 120.200 -0.000 0.000 2.316 2700 E HA 0.498 4.848 4.350 0.000 0.000 0.275 2700 E C -0.294 176.305 176.600 -0.001 0.000 1.029 2700 E CA -0.200 56.200 56.400 -0.001 0.000 0.871 2700 E CB 0.859 30.559 29.700 -0.001 0.000 1.022 2700 E HN 0.727 nan 8.360 nan 0.000 0.418 2701 V N 0.974 120.887 119.914 -0.001 0.000 3.102 2701 V HA 0.733 4.853 4.120 0.000 0.000 0.312 2701 V C 0.361 176.454 176.094 -0.002 0.000 1.135 2701 V CA -0.784 61.515 62.300 -0.002 0.000 1.022 2701 V CB 1.533 33.355 31.823 -0.002 0.000 1.056 2701 V HN 0.714 nan 8.190 nan 0.000 0.436 2702 G N 0.519 109.317 108.800 -0.003 0.000 2.343 2702 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 2702 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 2702 G C 0.986 175.884 174.900 -0.003 0.000 1.277 2702 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 2702 G HN 1.658 nan 8.290 nan 0.000 0.502 2703 A N 2.473 125.291 122.820 -0.002 0.000 1.978 2703 A HA -0.099 4.221 4.320 0.000 0.000 0.220 2703 A C 2.069 179.651 177.584 -0.003 0.000 1.170 2703 A CA 1.970 54.005 52.037 -0.002 0.000 0.636 2703 A CB -0.092 18.907 19.000 -0.002 0.000 0.810 2703 A HN 0.764 nan 8.150 nan 0.000 0.448 2704 Q N -0.226 119.573 119.800 -0.002 0.000 2.175 2704 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 2704 Q C -0.412 175.586 176.000 -0.003 0.000 0.837 2704 Q CA 0.166 55.967 55.803 -0.002 0.000 1.032 2704 Q CB -0.678 28.059 28.738 -0.002 0.000 1.137 2704 Q HN 0.430 nan 8.270 nan 0.000 0.483 2705 D N 0.892 121.291 120.400 -0.003 0.000 2.346 2705 D HA 0.043 4.683 4.640 0.000 0.000 0.260 2705 D C 0.997 177.294 176.300 -0.004 0.000 1.252 2705 D CA -0.069 53.929 54.000 -0.003 0.000 0.895 2705 D CB 0.900 41.697 40.800 -0.004 0.000 1.097 2705 D HN 0.078 nan 8.370 nan 0.000 0.489 2706 K N 3.621 124.018 120.400 -0.004 0.000 2.052 2706 K HA -0.304 4.016 4.320 0.000 0.000 0.215 2706 K C 1.553 178.149 176.600 -0.006 0.000 1.053 2706 K CA 2.195 58.479 56.287 -0.005 0.000 0.934 2706 K CB -0.208 32.289 32.500 -0.004 0.000 0.717 2706 K HN 0.676 nan 8.250 nan 0.000 0.450 2707 E N -0.534 119.662 120.200 -0.007 0.000 2.021 2707 E HA -0.227 4.123 4.350 0.000 0.000 0.200 2707 E C 2.010 178.605 176.600 -0.009 0.000 1.015 2707 E CA 1.766 58.161 56.400 -0.008 0.000 0.824 2707 E CB -0.298 29.397 29.700 -0.008 0.000 0.762 2707 E HN 0.345 nan 8.360 nan 0.000 0.454 2708 I N 0.552 121.118 120.570 -0.007 0.000 2.614 2708 I HA -0.189 3.981 4.170 0.000 0.000 0.258 2708 I C 1.945 178.059 176.117 -0.006 0.000 1.189 2708 I CA 0.624 61.919 61.300 -0.007 0.000 1.462 2708 I CB -0.066 37.931 38.000 -0.005 0.000 1.092 2708 I HN 0.213 nan 8.210 nan 0.000 0.442 2709 L N 0.031 121.251 121.223 -0.006 0.000 2.093 2709 L HA -0.171 4.169 4.340 0.000 0.000 0.208 2709 L C 2.653 179.519 176.870 -0.007 0.000 1.085 2709 L CA 2.371 57.208 54.840 -0.006 0.000 0.755 2709 L CB -1.408 40.648 42.059 -0.005 0.000 0.904 2709 L HN 0.476 nan 8.230 nan 0.000 0.435 2710 T N -4.830 109.719 114.554 -0.009 0.000 3.014 2710 T HA -0.081 4.270 4.350 0.000 0.000 0.263 2710 T C 1.910 176.601 174.700 -0.014 0.000 1.078 2710 T CA 0.525 62.619 62.100 -0.011 0.000 1.135 2710 T CB -0.101 68.760 68.868 -0.012 0.000 0.895 2710 T HN 0.188 nan 8.240 nan 0.000 0.480 2711 K N 0.522 120.914 120.400 -0.014 0.000 2.062 2711 K HA 0.117 4.437 4.320 0.000 0.000 0.205 2711 K C 2.137 178.730 176.600 -0.012 0.000 1.051 2711 K CA 0.828 57.105 56.287 -0.016 0.000 0.941 2711 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 2711 K HN 0.235 nan 8.250 nan 0.000 0.440 2712 I N 1.338 121.904 120.570 -0.007 0.000 2.202 2712 I HA -0.202 3.968 4.170 0.000 0.000 0.242 2712 I C 2.501 178.617 176.117 -0.002 0.000 1.091 2712 I CA 1.193 62.492 61.300 -0.003 0.000 1.368 2712 I CB -1.359 36.640 38.000 -0.002 0.000 1.058 2712 I HN 0.092 nan 8.210 nan 0.000 0.410 2713 A N 0.722 123.540 122.820 -0.004 0.000 1.865 2713 A HA -0.247 4.073 4.320 0.000 0.000 0.217 2713 A C 2.412 179.994 177.584 -0.004 0.000 1.191 2713 A CA 1.990 54.025 52.037 -0.004 0.000 0.623 2713 A CB -0.622 18.375 19.000 -0.006 0.000 0.826 2713 A HN 0.353 nan 8.150 nan 0.000 0.444 2714 M N -0.323 119.271 119.600 -0.010 0.000 2.099 2714 M HA -0.132 4.348 4.480 0.000 0.000 0.262 2714 M C 2.437 178.731 176.300 -0.011 0.000 1.067 2714 M CA 2.031 57.321 55.300 -0.016 0.000 1.124 2714 M CB -0.681 31.900 32.600 -0.032 0.000 1.353 2714 M HN 0.717 nan 8.290 nan 0.000 0.410 2715 T N -2.757 111.792 114.554 -0.008 0.000 2.867 2715 T HA -0.098 4.252 4.350 0.000 0.000 0.268 2715 T C 1.888 176.606 174.700 0.030 0.000 1.057 2715 T CA 1.641 63.747 62.100 0.009 0.000 1.136 2715 T CB -0.462 68.412 68.868 0.010 0.000 0.874 2715 T HN 0.286 nan 8.240 nan 0.000 0.466 2716 S N 0.976 116.687 115.700 0.019 0.000 2.355 2716 S HA 0.042 4.512 4.470 0.000 0.000 0.222 2716 S C 1.990 176.607 174.600 0.027 0.000 1.031 2716 S CA 0.863 59.076 58.200 0.022 0.000 0.993 2716 S CB -0.603 62.604 63.200 0.012 0.000 0.859 2716 S HN 0.589 nan 8.310 nan 0.000 0.453 2717 I N 1.717 122.301 120.570 0.022 0.000 2.361 2717 I HA -0.108 4.062 4.170 0.000 0.000 0.251 2717 I C 1.218 177.362 176.117 0.045 0.000 1.133 2717 I CA 0.872 62.187 61.300 0.025 0.000 1.413 2717 I CB -0.908 37.101 38.000 0.015 0.000 1.073 2717 I HN 0.427 nan 8.210 nan 0.000 0.424 2718 T N -0.540 114.052 114.554 0.064 0.000 2.932 2718 T HA 0.315 4.665 4.350 0.000 0.000 0.312 2718 T C 1.168 175.946 174.700 0.130 0.000 1.071 2718 T CA 0.100 62.276 62.100 0.127 0.000 1.128 2718 T CB 1.272 70.258 68.868 0.196 0.000 0.984 2718 T HN 0.604 nan 8.240 nan 0.000 0.549 2719 G N 1.325 110.210 108.800 0.143 0.000 2.176 2719 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 2719 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 2719 G C -0.040 174.886 174.900 0.043 0.000 0.979 2719 G CA 0.351 45.493 45.100 0.070 0.000 0.641 2719 G HN 0.912 nan 8.290 nan 0.000 0.530 2720 K N -0.461 119.969 120.400 0.051 0.000 2.185 2720 K HA 0.681 5.001 4.320 0.000 0.000 0.240 2720 K C 1.585 178.207 176.600 0.037 0.000 0.983 2720 K CA 0.124 56.432 56.287 0.036 0.000 0.873 2720 K CB 0.842 33.361 32.500 0.032 0.000 1.118 2720 K HN 0.195 nan 8.250 nan 0.000 0.441 2721 G N 0.199 109.016 108.800 0.029 0.000 2.432 2721 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 2721 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 2721 G C 1.177 176.095 174.900 0.029 0.000 1.135 2721 G CA 1.023 46.140 45.100 0.028 0.000 0.767 2721 G HN 0.577 nan 8.290 nan 0.000 0.550 2722 A N 0.502 123.338 122.820 0.027 0.000 2.172 2722 A HA 0.082 4.402 4.320 0.000 0.000 0.216 2722 A C 1.987 179.586 177.584 0.024 0.000 1.154 2722 A CA 1.650 53.701 52.037 0.023 0.000 0.701 2722 A CB -0.337 18.675 19.000 0.019 0.000 0.789 2722 A HN 0.507 nan 8.150 nan 0.000 0.465 2723 E N 1.190 121.411 120.200 0.034 0.000 2.171 2723 E HA -0.297 4.053 4.350 0.000 0.000 0.197 2723 E C 1.879 178.495 176.600 0.026 0.000 0.997 2723 E CA 1.667 58.089 56.400 0.037 0.000 0.810 2723 E CB -0.201 29.540 29.700 0.069 0.000 0.738 2723 E HN 0.802 nan 8.360 nan 0.000 0.467 2724 K N -0.459 119.958 120.400 0.028 0.000 2.286 2724 K HA -0.121 4.199 4.320 0.000 0.000 0.203 2724 K C 1.239 177.846 176.600 0.012 0.000 1.045 2724 K CA 1.490 57.790 56.287 0.021 0.000 0.935 2724 K CB -0.015 32.498 32.500 0.022 0.000 0.737 2724 K HN 0.104 nan 8.250 nan 0.000 0.460 2725 A N 1.806 124.632 122.820 0.011 0.000 2.606 2725 A HA 0.136 4.456 4.320 0.000 0.000 0.290 2725 A C 1.369 178.954 177.584 0.002 0.000 1.174 2725 A CA -0.543 51.497 52.037 0.006 0.000 0.958 2725 A CB -0.015 18.990 19.000 0.008 0.000 1.194 2725 A HN 0.422 nan 8.150 nan 0.000 0.526 2726 K N 0.154 120.554 120.400 0.000 0.000 2.281 2726 K HA -0.188 4.132 4.320 0.000 0.000 0.203 2726 K C 0.864 177.458 176.600 -0.010 0.000 1.046 2726 K CA 1.871 58.156 56.287 -0.004 0.000 0.938 2726 K CB -0.096 32.398 32.500 -0.009 0.000 0.737 2726 K HN 0.317 nan 8.250 nan 0.000 0.458 2727 E N 1.499 121.693 120.200 -0.011 0.000 2.047 2727 E HA -0.137 4.213 4.350 0.000 0.000 0.191 2727 E C 1.916 178.511 176.600 -0.008 0.000 0.987 2727 E CA 1.304 57.697 56.400 -0.013 0.000 0.799 2727 E CB -0.049 29.643 29.700 -0.013 0.000 0.752 2727 E HN 0.267 nan 8.360 nan 0.000 0.449 2728 K N 0.211 120.609 120.400 -0.005 0.000 2.097 2728 K HA -0.066 4.254 4.320 0.000 0.000 0.205 2728 K C 1.657 178.255 176.600 -0.003 0.000 1.050 2728 K CA 0.721 57.007 56.287 -0.003 0.000 0.938 2728 K CB -0.200 32.300 32.500 0.000 0.000 0.718 2728 K HN -0.008 nan 8.250 nan 0.000 0.442 2729 L N 0.520 121.741 121.223 -0.003 0.000 2.056 2729 L HA 0.014 4.355 4.340 0.000 0.000 0.207 2729 L C 2.284 179.151 176.870 -0.005 0.000 1.078 2729 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 2729 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 2729 L HN 0.269 nan 8.230 nan 0.000 0.433 2730 A N -0.973 121.844 122.820 -0.006 0.000 1.933 2730 A HA -0.258 4.062 4.320 0.000 0.000 0.218 2730 A C 2.355 179.934 177.584 -0.008 0.000 1.175 2730 A CA 1.798 53.830 52.037 -0.008 0.000 0.628 2730 A CB -0.543 18.451 19.000 -0.011 0.000 0.814 2730 A HN 0.500 nan 8.150 nan 0.000 0.444 2731 E N -0.225 119.970 120.200 -0.008 0.000 2.077 2731 E HA -0.160 4.190 4.350 0.000 0.000 0.193 2731 E C 1.875 178.470 176.600 -0.007 0.000 0.989 2731 E CA 1.231 57.627 56.400 -0.007 0.000 0.800 2731 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 2731 E HN 0.663 nan 8.360 nan 0.000 0.452 2732 I N 0.342 120.907 120.570 -0.007 0.000 2.226 2732 I HA -0.265 3.905 4.170 0.000 0.000 0.245 2732 I C 2.118 178.228 176.117 -0.011 0.000 1.100 2732 I CA 0.738 62.032 61.300 -0.009 0.000 1.374 2732 I CB -0.073 37.922 38.000 -0.009 0.000 1.057 2732 I HN 0.200 nan 8.210 nan 0.000 0.413 2733 I N -0.449 120.116 120.570 -0.009 0.000 2.406 2733 I HA -0.161 4.009 4.170 0.000 0.000 0.249 2733 I C 2.295 178.407 176.117 -0.009 0.000 1.122 2733 I CA 1.074 62.369 61.300 -0.009 0.000 1.431 2733 I CB -0.304 37.692 38.000 -0.007 0.000 1.087 2733 I HN -0.072 nan 8.210 nan 0.000 0.424 2734 V N 0.229 120.139 119.914 -0.008 0.000 2.358 2734 V HA -0.245 3.875 4.120 0.000 0.000 0.246 2734 V C 2.501 178.591 176.094 -0.007 0.000 1.047 2734 V CA 1.863 64.159 62.300 -0.007 0.000 1.035 2734 V CB -0.524 31.296 31.823 -0.006 0.000 0.658 2734 V HN 0.401 nan 8.190 nan 0.000 0.452 2735 E N 0.825 121.021 120.200 -0.007 0.000 2.072 2735 E HA -0.143 4.207 4.350 0.000 0.000 0.191 2735 E C 2.133 178.727 176.600 -0.009 0.000 0.985 2735 E CA 1.597 57.992 56.400 -0.007 0.000 0.801 2735 E CB -0.462 29.233 29.700 -0.008 0.000 0.750 2735 E HN 0.489 nan 8.360 nan 0.000 0.452 2736 A N 0.077 122.890 122.820 -0.012 0.000 1.877 2736 A HA -0.145 4.175 4.320 0.000 0.000 0.216 2736 A C 2.510 180.087 177.584 -0.013 0.000 1.186 2736 A CA 1.744 53.771 52.037 -0.016 0.000 0.620 2736 A CB -0.847 18.142 19.000 -0.019 0.000 0.822 2736 A HN 0.205 nan 8.150 nan 0.000 0.443 2737 V N -0.513 119.394 119.914 -0.010 0.000 2.307 2737 V HA -0.198 3.922 4.120 0.000 0.000 0.245 2737 V C 2.816 178.907 176.094 -0.006 0.000 1.045 2737 V CA 2.274 64.569 62.300 -0.008 0.000 1.024 2737 V CB -0.717 31.102 31.823 -0.007 0.000 0.651 2737 V HN 0.667 nan 8.190 nan 0.000 0.449 2738 S N -0.094 115.604 115.700 -0.004 0.000 2.370 2738 S HA -0.208 4.262 4.470 0.000 0.000 0.226 2738 S C 2.118 176.720 174.600 0.002 0.000 1.033 2738 S CA 1.706 59.906 58.200 -0.001 0.000 1.011 2738 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 2738 S HN 0.616 nan 8.310 nan 0.000 0.457 2739 A N 0.714 123.534 122.820 0.000 0.000 1.933 2739 A HA -0.006 4.314 4.320 0.000 0.000 0.218 2739 A C 2.319 179.907 177.584 0.005 0.000 1.175 2739 A CA 1.860 53.900 52.037 0.004 0.000 0.628 2739 A CB -0.787 18.211 19.000 -0.003 0.000 0.814 2739 A HN 0.987 nan 8.150 nan 0.000 0.444 2740 V N -3.842 116.071 119.914 -0.002 0.000 3.307 2740 V HA 0.090 4.210 4.120 0.000 0.000 0.253 2740 V C 1.996 178.088 176.094 -0.003 0.000 1.149 2740 V CA 1.160 63.457 62.300 -0.004 0.000 1.112 2740 V CB -0.248 31.569 31.823 -0.011 0.000 0.777 2740 V HN 0.171 nan 8.190 nan 0.000 0.464 2741 V N 0.501 120.414 119.914 -0.003 0.000 2.453 2741 V HA -0.032 4.088 4.120 0.000 0.000 0.247 2741 V C 1.627 177.719 176.094 -0.002 0.000 1.048 2741 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 2741 V CB -0.276 31.544 31.823 -0.003 0.000 0.672 2741 V HN 0.810 nan 8.190 nan 0.000 0.457 2742 D N -0.616 119.785 120.400 0.001 0.000 4.438 2742 D HA -0.218 4.422 4.640 0.000 0.000 0.158 2742 D C 0.601 176.899 176.300 -0.004 0.000 0.686 2742 D CA 1.946 55.946 54.000 0.000 0.000 1.183 2742 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 2742 D HN 0.574 nan 8.370 nan 0.000 0.521 2743 D N 1.462 121.858 120.400 -0.007 0.000 2.384 2743 D HA 0.262 4.902 4.640 0.000 0.000 0.244 2743 D C -0.302 175.995 176.300 -0.006 0.000 1.251 2743 D CA 0.308 54.303 54.000 -0.008 0.000 0.961 2743 D CB 0.420 41.214 40.800 -0.010 0.000 1.116 2743 D HN 0.219 nan 8.370 nan 0.000 0.484 2744 E N -0.136 120.061 120.200 -0.006 0.000 2.267 2744 E HA 0.565 4.915 4.350 0.000 0.000 0.241 2744 E C -0.262 176.335 176.600 -0.005 0.000 0.950 2744 E CA -0.657 55.740 56.400 -0.005 0.000 0.776 2744 E CB 0.780 30.477 29.700 -0.004 0.000 1.207 2744 E HN 0.497 nan 8.360 nan 0.000 0.436 2745 G N 1.738 110.535 108.800 -0.005 0.000 2.347 2745 G HA2 0.210 4.170 3.960 0.000 0.000 0.303 2745 G HA3 0.210 4.170 3.960 0.000 0.000 0.303 2745 G C -1.781 173.117 174.900 -0.004 0.000 1.481 2745 G CA -0.815 44.283 45.100 -0.005 0.000 0.914 2745 G HN 0.064 nan 8.290 nan 0.000 0.638 2746 K N 0.314 120.711 120.400 -0.005 0.000 2.550 2746 K HA 0.543 4.863 4.320 0.000 0.000 0.252 2746 K C -1.344 175.253 176.600 -0.005 0.000 0.943 2746 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 2746 K CB 2.196 34.694 32.500 -0.005 0.000 1.289 2746 K HN 0.601 nan 8.250 nan 0.000 0.435 2747 V N 3.323 123.235 119.914 -0.005 0.000 2.370 2747 V HA 0.262 4.382 4.120 0.000 0.000 0.279 2747 V C -0.311 175.780 176.094 -0.006 0.000 1.029 2747 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 2747 V CB 1.371 33.191 31.823 -0.005 0.000 0.984 2747 V HN 0.624 nan 8.190 nan 0.000 0.451 2748 D N 3.811 124.206 120.400 -0.007 0.000 2.453 2748 D HA 0.305 4.945 4.640 0.000 0.000 0.238 2748 D C 0.863 177.157 176.300 -0.010 0.000 1.088 2748 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 2748 D CB 1.598 42.393 40.800 -0.009 0.000 1.076 2748 D HN 0.423 nan 8.370 nan 0.000 0.533 2749 K N 1.965 122.360 120.400 -0.010 0.000 2.360 2749 K HA -0.150 4.170 4.320 0.000 0.000 0.201 2749 K C 0.905 177.496 176.600 -0.014 0.000 1.046 2749 K CA 0.807 57.087 56.287 -0.011 0.000 0.945 2749 K CB 0.242 32.737 32.500 -0.009 0.000 0.750 2749 K HN 0.344 nan 8.250 nan 0.000 0.464 2750 D N 0.783 121.174 120.400 -0.014 0.000 2.310 2750 D HA -0.081 4.559 4.640 0.000 0.000 0.212 2750 D C 1.259 177.545 176.300 -0.022 0.000 0.965 2750 D CA 0.641 54.630 54.000 -0.017 0.000 0.879 2750 D CB 0.138 40.929 40.800 -0.015 0.000 0.921 2750 D HN 0.118 nan 8.370 nan 0.000 0.510 2751 L N -0.154 121.057 121.223 -0.021 0.000 2.554 2751 L HA 0.158 4.498 4.340 0.000 0.000 0.226 2751 L C 0.347 177.199 176.870 -0.029 0.000 1.137 2751 L CA 0.203 55.029 54.840 -0.024 0.000 0.863 2751 L CB 0.078 42.125 42.059 -0.019 0.000 0.985 2751 L HN 0.021 nan 8.230 nan 0.000 0.451 2752 I N 0.650 121.204 120.570 -0.028 0.000 2.390 2752 I HA 0.171 4.341 4.170 0.000 0.000 0.283 2752 I C 0.108 176.204 176.117 -0.035 0.000 1.016 2752 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 2752 I CB 1.417 39.401 38.000 -0.025 0.000 1.293 2752 I HN -0.033 nan 8.210 nan 0.000 0.458 2753 K N 6.815 127.187 120.400 -0.046 0.000 2.276 2753 K HA 0.400 4.720 4.320 0.000 0.000 0.283 2753 K C -0.645 175.925 176.600 -0.049 0.000 1.044 2753 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 2753 K CB 0.875 33.337 32.500 -0.064 0.000 1.012 2753 K HN 0.456 nan 8.250 nan 0.000 0.472 2754 I N 4.325 124.872 120.570 -0.039 0.000 2.307 2754 I HA 0.155 4.325 4.170 0.000 0.000 0.287 2754 I C -0.138 175.959 176.117 -0.033 0.000 1.054 2754 I CA -0.550 60.730 61.300 -0.034 0.000 1.218 2754 I CB 0.683 38.669 38.000 -0.024 0.000 1.398 2754 I HN 0.674 nan 8.210 nan 0.000 0.475 2755 E N 7.301 127.477 120.200 -0.040 0.000 2.216 2755 E HA 0.473 4.823 4.350 0.000 0.000 0.279 2755 E C -0.733 175.857 176.600 -0.016 0.000 0.997 2755 E CA -0.589 55.793 56.400 -0.030 0.000 0.817 2755 E CB 1.046 30.718 29.700 -0.046 0.000 1.096 2755 E HN 0.542 nan 8.360 nan 0.000 0.393 2756 K N 2.885 123.281 120.400 -0.007 0.000 2.541 2756 K HA 0.562 4.882 4.320 0.000 0.000 0.250 2756 K C -1.029 175.574 176.600 0.005 0.000 0.950 2756 K CA -1.086 55.200 56.287 -0.002 0.000 0.805 2756 K CB 1.509 34.003 32.500 -0.010 0.000 1.166 2756 K HN 0.092 nan 8.250 nan 0.000 0.430 2757 K N 2.043 122.452 120.400 0.015 0.000 2.578 2757 K HA 0.197 4.517 4.320 0.000 0.000 0.250 2757 K C -0.894 175.717 176.600 0.019 0.000 0.955 2757 K CA -0.652 55.648 56.287 0.022 0.000 0.825 2757 K CB 2.045 34.570 32.500 0.042 0.000 1.151 2757 K HN 0.776 nan 8.250 nan 0.000 0.432 2758 S N 1.278 116.986 115.700 0.012 0.000 2.568 2758 S HA 0.504 4.974 4.470 0.000 0.000 0.282 2758 S C 0.357 174.969 174.600 0.019 0.000 1.338 2758 S CA 1.268 59.477 58.200 0.014 0.000 1.045 2758 S CB 0.152 63.359 63.200 0.011 0.000 0.873 2758 S HN 0.873 nan 8.310 nan 0.000 0.516 2759 G N 1.673 110.485 108.800 0.020 0.000 2.465 2759 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 2759 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 2759 G C -0.085 174.828 174.900 0.021 0.000 1.340 2759 G CA -0.050 45.062 45.100 0.020 0.000 0.884 2759 G HN 2.157 nan 8.290 nan 0.000 0.650 2760 A N -0.571 122.261 122.820 0.019 0.000 6.088 2760 A HA 0.393 4.713 4.320 0.000 0.000 0.261 2760 A C 1.121 178.716 177.584 0.018 0.000 2.138 2760 A CA 1.933 53.981 52.037 0.018 0.000 0.708 2760 A CB -1.620 17.393 19.000 0.022 0.000 1.068 2760 A HN 2.722 nan 8.150 nan 0.000 0.364 2761 S N -2.789 112.921 115.700 0.018 0.000 2.811 2761 S HA 0.703 5.173 4.470 0.000 0.000 0.311 2761 S C 1.121 175.732 174.600 0.018 0.000 1.152 2761 S CA 0.148 58.358 58.200 0.017 0.000 0.864 2761 S CB 1.307 64.516 63.200 0.015 0.000 1.226 2761 S HN 1.563 nan 8.310 nan 0.000 0.541 2762 I N 1.303 121.882 120.570 0.016 0.000 2.614 2762 I HA -0.093 4.078 4.170 0.000 0.000 0.258 2762 I C 0.874 176.999 176.117 0.014 0.000 1.189 2762 I CA 1.272 62.581 61.300 0.015 0.000 1.462 2762 I CB -0.086 37.923 38.000 0.015 0.000 1.092 2762 I HN 0.584 nan 8.210 nan 0.000 0.442 2763 D N 1.026 121.434 120.400 0.013 0.000 2.178 2763 D HA -0.180 4.460 4.640 0.000 0.000 0.201 2763 D C 1.436 177.744 176.300 0.014 0.000 0.980 2763 D CA 1.302 55.309 54.000 0.012 0.000 0.842 2763 D CB -0.247 40.560 40.800 0.011 0.000 0.948 2763 D HN 0.480 nan 8.370 nan 0.000 0.472 2764 D N -0.522 119.888 120.400 0.017 0.000 2.347 2764 D HA -0.022 4.618 4.640 0.000 0.000 0.215 2764 D C 0.264 176.579 176.300 0.025 0.000 0.976 2764 D CA 0.453 54.466 54.000 0.022 0.000 0.884 2764 D CB -0.002 40.813 40.800 0.025 0.000 0.915 2764 D HN -0.027 nan 8.370 nan 0.000 0.526 2765 T N 1.098 115.664 114.554 0.019 0.000 2.933 2765 T HA 0.170 4.520 4.350 0.000 0.000 0.306 2765 T C 0.122 174.829 174.700 0.012 0.000 1.045 2765 T CA 0.524 62.633 62.100 0.015 0.000 1.143 2765 T CB 0.654 69.528 68.868 0.010 0.000 1.003 2765 T HN 0.038 nan 8.240 nan 0.000 0.540 2766 E N 1.795 122.000 120.200 0.009 0.000 2.390 2766 E HA 0.521 4.871 4.350 0.000 0.000 0.280 2766 E C -1.948 174.644 176.600 -0.013 0.000 0.992 2766 E CA -0.800 55.602 56.400 0.004 0.000 0.790 2766 E CB 1.039 30.750 29.700 0.019 0.000 1.248 2766 E HN 0.349 nan 8.360 nan 0.000 0.447 2767 L N 3.626 124.839 121.223 -0.017 0.000 2.292 2767 L HA 0.599 4.939 4.340 0.000 0.000 0.284 2767 L C -1.141 175.705 176.870 -0.040 0.000 1.065 2767 L CA -0.218 54.603 54.840 -0.033 0.000 0.806 2767 L CB 0.832 42.876 42.059 -0.026 0.000 1.175 2767 L HN 0.577 nan 8.230 nan 0.000 0.431 2768 I N 5.556 126.083 120.570 -0.071 0.000 2.382 2768 I HA 0.304 4.474 4.170 0.000 0.000 0.285 2768 I C -0.133 175.937 176.117 -0.078 0.000 1.007 2768 I CA -0.492 60.758 61.300 -0.083 0.000 1.142 2768 I CB 1.184 39.083 38.000 -0.168 0.000 1.289 2768 I HN 0.315 nan 8.210 nan 0.000 0.453 2769 K N 5.805 126.175 120.400 -0.049 0.000 2.081 2769 K HA 0.516 4.836 4.320 0.000 0.000 0.230 2769 K C 0.459 177.030 176.600 -0.048 0.000 1.199 2769 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 2769 K CB -0.210 32.271 32.500 -0.032 0.000 1.386 2769 K HN 0.968 nan 8.250 nan 0.000 0.280 2770 G N -0.694 108.065 108.800 -0.068 0.000 2.455 2770 G HA2 0.121 4.081 3.960 0.000 0.000 0.223 2770 G HA3 0.121 4.081 3.960 0.000 0.000 0.223 2770 G C -1.637 173.197 174.900 -0.110 0.000 1.226 2770 G CA -0.720 44.337 45.100 -0.072 0.000 0.948 2770 G HN 0.086 nan 8.290 nan 0.000 0.478 2771 V N 0.445 120.284 119.914 -0.125 0.000 2.588 2771 V HA 0.636 4.756 4.120 0.000 0.000 0.304 2771 V C -0.806 175.174 176.094 -0.189 0.000 1.042 2771 V CA -0.626 61.581 62.300 -0.154 0.000 0.877 2771 V CB 1.560 33.291 31.823 -0.153 0.000 0.996 2771 V HN 0.608 nan 8.190 nan 0.000 0.425 2772 L N 5.211 126.289 121.223 -0.242 0.000 2.255 2772 L HA 0.490 4.830 4.340 0.000 0.000 0.289 2772 L C -0.091 176.733 176.870 -0.077 0.000 1.046 2772 L CA 0.165 54.839 54.840 -0.277 0.000 0.816 2772 L CB 1.473 43.244 42.059 -0.480 0.000 1.197 2772 L HN 0.438 nan 8.230 nan 0.000 0.427 2773 V N 2.685 122.622 119.914 0.038 0.000 2.394 2773 V HA 0.236 4.356 4.120 0.000 0.000 0.282 2773 V C 0.121 176.294 176.094 0.133 0.000 1.031 2773 V CA -0.784 61.556 62.300 0.066 0.000 0.881 2773 V CB 1.568 33.448 31.823 0.095 0.000 0.982 2773 V HN 0.781 nan 8.190 nan 0.000 0.451 2774 D N 3.774 124.229 120.400 0.091 0.000 3.085 2774 D HA 0.175 4.815 4.640 0.000 0.000 0.243 2774 D C 0.118 176.472 176.300 0.090 0.000 1.232 2774 D CA -0.255 53.801 54.000 0.092 0.000 0.913 2774 D CB 0.136 40.972 40.800 0.060 0.000 1.108 2774 D HN 0.269 nan 8.370 nan 0.000 0.468 2775 K N 0.457 120.927 120.400 0.117 0.000 2.409 2775 K HA 0.421 4.741 4.320 0.000 0.000 0.252 2775 K C 0.352 177.008 176.600 0.093 0.000 1.036 2775 K CA -0.651 55.700 56.287 0.107 0.000 0.871 2775 K CB 2.262 34.849 32.500 0.146 0.000 1.374 2775 K HN 0.308 nan 8.250 nan 0.000 0.459 2776 E N 0.734 120.971 120.200 0.062 0.000 2.378 2776 E HA 0.394 4.744 4.350 0.000 0.000 0.265 2776 E C -0.684 175.924 176.600 0.014 0.000 0.932 2776 E CA -0.906 55.515 56.400 0.035 0.000 0.795 2776 E CB 1.245 30.958 29.700 0.021 0.000 1.296 2776 E HN 0.218 nan 8.360 nan 0.000 0.438 2777 R N 1.245 121.744 120.500 -0.002 0.000 2.296 2777 R HA 0.108 4.448 4.340 0.000 0.000 0.323 2777 R C 1.362 177.653 176.300 -0.015 0.000 1.067 2777 R CA 0.223 56.310 56.100 -0.022 0.000 0.946 2777 R CB 0.462 30.748 30.300 -0.024 0.000 0.991 2777 R HN 0.559 nan 8.270 nan 0.000 0.448 2778 V N -0.042 119.859 119.914 -0.022 0.000 2.720 2778 V HA -0.075 4.045 4.120 0.000 0.000 0.256 2778 V C 0.905 177.000 176.094 0.002 0.000 1.082 2778 V CA 1.080 63.373 62.300 -0.011 0.000 1.101 2778 V CB -0.224 31.588 31.823 -0.019 0.000 0.693 2778 V HN 0.524 nan 8.190 nan 0.000 0.479 2779 S N -1.004 114.696 115.700 0.000 0.000 2.526 2779 S HA 0.774 5.244 4.470 0.000 0.000 0.293 2779 S C 0.844 175.444 174.600 -0.000 0.000 1.092 2779 S CA -0.121 58.087 58.200 0.012 0.000 0.980 2779 S CB 1.874 65.089 63.200 0.026 0.000 1.048 2779 S HN 0.711 nan 8.310 nan 0.000 0.483 2780 A N 3.263 126.082 122.820 -0.001 0.000 2.070 2780 A HA -0.043 4.277 4.320 0.000 0.000 0.220 2780 A C 1.777 179.353 177.584 -0.013 0.000 1.159 2780 A CA 1.259 53.290 52.037 -0.009 0.000 0.656 2780 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 2780 A HN 0.899 nan 8.150 nan 0.000 0.453 2781 Q N -1.031 118.762 119.800 -0.012 0.000 2.424 2781 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 2781 Q C 0.213 176.207 176.000 -0.010 0.000 0.933 2781 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 2781 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 2781 Q HN 0.657 nan 8.270 nan 0.000 0.511 2782 M N 1.514 121.108 119.600 -0.010 0.000 2.250 2782 M HA 0.223 4.703 4.480 0.000 0.000 0.344 2782 M C -2.138 174.153 176.300 -0.014 0.000 1.150 2782 M CA -2.023 53.269 55.300 -0.013 0.000 1.147 2782 M CB 0.390 32.978 32.600 -0.020 0.000 1.498 2782 M HN -0.192 nan 8.290 nan 0.000 0.461 2783 P HA -0.020 nan 4.420 nan 0.000 0.269 2783 P C -0.157 177.135 177.300 -0.014 0.000 1.211 2783 P CA 0.054 63.147 63.100 -0.012 0.000 0.781 2783 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 2784 K N 1.031 121.423 120.400 -0.013 0.000 2.379 2784 K HA 0.056 4.376 4.320 0.000 0.000 0.194 2784 K C 0.486 177.079 176.600 -0.012 0.000 1.031 2784 K CA 0.808 57.086 56.287 -0.016 0.000 1.037 2784 K CB 0.143 32.631 32.500 -0.019 0.000 0.824 2784 K HN 0.577 nan 8.250 nan 0.000 0.516 2785 K N -0.780 119.617 120.400 -0.005 0.000 2.557 2785 K HA 0.381 4.701 4.320 0.000 0.000 0.257 2785 K C -1.260 175.345 176.600 0.008 0.000 0.933 2785 K CA -0.733 55.556 56.287 0.005 0.000 0.820 2785 K CB 1.986 34.487 32.500 0.002 0.000 1.330 2785 K HN -0.285 nan 8.250 nan 0.000 0.432 2786 V N 2.044 121.969 119.914 0.018 0.000 2.483 2786 V HA 0.429 4.549 4.120 0.000 0.000 0.297 2786 V C -0.283 175.828 176.094 0.027 0.000 1.027 2786 V CA -0.527 61.784 62.300 0.019 0.000 0.855 2786 V CB 1.837 33.670 31.823 0.017 0.000 0.995 2786 V HN 0.998 nan 8.190 nan 0.000 0.424 2787 T N 0.078 114.645 114.554 0.021 0.000 2.929 2787 T HA 0.541 4.891 4.350 0.000 0.000 0.284 2787 T C 0.125 174.838 174.700 0.021 0.000 1.014 2787 T CA -0.276 61.837 62.100 0.022 0.000 1.051 2787 T CB 1.296 70.174 68.868 0.016 0.000 1.028 2787 T HN 0.769 nan 8.240 nan 0.000 0.485 2788 D N 0.337 120.750 120.400 0.022 0.000 2.689 2788 D HA -0.153 4.487 4.640 0.000 0.000 0.237 2788 D C 0.301 176.616 176.300 0.026 0.000 1.148 2788 D CA 0.840 54.852 54.000 0.020 0.000 0.656 2788 D CB -1.252 39.557 40.800 0.015 0.000 1.050 2788 D HN 1.103 nan 8.370 nan 0.000 0.426 2789 A N 1.410 124.251 122.820 0.035 0.000 2.477 2789 A HA 0.376 4.696 4.320 0.000 0.000 0.246 2789 A C 0.542 178.154 177.584 0.046 0.000 1.078 2789 A CA 0.146 52.209 52.037 0.044 0.000 0.770 2789 A CB 0.594 19.633 19.000 0.064 0.000 1.011 2789 A HN 0.156 nan 8.150 nan 0.000 0.494 2790 K N 3.181 123.607 120.400 0.043 0.000 2.347 2790 K HA 0.400 4.720 4.320 0.000 0.000 0.262 2790 K C -0.940 175.695 176.600 0.058 0.000 1.052 2790 K CA 0.157 56.471 56.287 0.044 0.000 0.946 2790 K CB 0.927 33.446 32.500 0.031 0.000 1.220 2790 K HN 0.638 nan 8.250 nan 0.000 0.450 2791 I N 2.031 122.651 120.570 0.083 0.000 2.353 2791 I HA 0.287 4.457 4.170 0.000 0.000 0.293 2791 I C 0.273 176.458 176.117 0.114 0.000 0.992 2791 I CA -0.658 60.722 61.300 0.133 0.000 1.268 2791 I CB 1.590 39.710 38.000 0.199 0.000 1.387 2791 I HN 0.433 nan 8.210 nan 0.000 0.478 2792 A N 7.672 130.564 122.820 0.119 0.000 2.337 2792 A HA 0.840 5.160 4.320 0.000 0.000 0.329 2792 A C -0.779 176.891 177.584 0.143 0.000 1.146 2792 A CA -0.545 51.550 52.037 0.097 0.000 0.800 2792 A CB 0.933 19.968 19.000 0.057 0.000 1.220 2792 A HN 0.703 nan 8.150 nan 0.000 0.472 2793 L N 3.154 124.441 121.223 0.107 0.000 2.345 2793 L HA 0.419 4.759 4.340 0.000 0.000 0.274 2793 L C -0.980 175.933 176.870 0.072 0.000 0.999 2793 L CA -0.090 54.815 54.840 0.108 0.000 0.849 2793 L CB 1.024 43.129 42.059 0.075 0.000 1.220 2793 L HN 0.564 nan 8.230 nan 0.000 0.422 2794 L N 3.353 124.621 121.223 0.075 0.000 2.307 2794 L HA 0.381 4.721 4.340 0.000 0.000 0.284 2794 L C 0.722 177.621 176.870 0.049 0.000 1.023 2794 L CA -0.502 54.368 54.840 0.051 0.000 0.810 2794 L CB 1.759 43.844 42.059 0.043 0.000 1.231 2794 L HN 0.623 nan 8.230 nan 0.000 0.423 2795 N N 0.749 119.470 118.700 0.035 0.000 2.322 2795 N HA -0.021 4.719 4.740 0.000 0.000 0.181 2795 N C 0.444 175.969 175.510 0.025 0.000 1.088 2795 N CA -0.277 52.791 53.050 0.030 0.000 0.885 2795 N CB -0.304 38.196 38.487 0.023 0.000 1.013 2795 N HN 0.586 nan 8.380 nan 0.000 0.472 2796 C N 0.241 119.554 119.300 0.022 0.000 2.595 2796 C HA 0.849 5.309 4.460 0.000 0.000 0.384 2796 C C 0.949 175.950 174.990 0.019 0.000 1.289 2796 C CA -1.450 57.578 59.018 0.018 0.000 2.372 2796 C CB -0.178 27.571 27.740 0.015 0.000 2.593 2796 C HN 0.479 nan 8.230 nan 0.000 0.639 2797 A N 2.431 125.260 122.820 0.015 0.000 2.401 2797 A HA 0.596 4.916 4.320 0.000 0.000 0.259 2797 A C 0.041 177.632 177.584 0.012 0.000 1.103 2797 A CA -0.515 51.530 52.037 0.014 0.000 0.789 2797 A CB -0.162 18.844 19.000 0.011 0.000 1.035 2797 A HN 0.879 nan 8.150 nan 0.000 0.491 2798 I N 2.837 123.413 120.570 0.011 0.000 2.317 2798 I HA 0.265 4.435 4.170 0.000 0.000 0.286 2798 I C -0.283 175.839 176.117 0.009 0.000 1.119 2798 I CA -0.061 61.246 61.300 0.011 0.000 1.228 2798 I CB -0.213 37.794 38.000 0.011 0.000 1.476 2798 I HN 0.828 nan 8.210 nan 0.000 0.514 2799 E N 3.904 124.110 120.200 0.010 0.000 2.445 2799 E HA 0.544 4.894 4.350 0.000 0.000 0.273 2799 E C -0.693 175.916 176.600 0.016 0.000 0.961 2799 E CA -1.045 55.361 56.400 0.010 0.000 0.807 2799 E CB 1.126 30.829 29.700 0.004 0.000 1.362 2799 E HN 0.094 nan 8.360 nan 0.000 0.453 2800 I N 1.465 122.047 120.570 0.020 0.000 2.573 2800 I HA 0.071 4.241 4.170 0.000 0.000 0.295 2800 I C 0.208 176.337 176.117 0.019 0.000 1.141 2800 I CA 0.113 61.428 61.300 0.025 0.000 1.364 2800 I CB -0.731 37.288 38.000 0.032 0.000 1.447 2800 I HN 0.375 nan 8.210 nan 0.000 0.571 2801 K N 7.159 127.569 120.400 0.017 0.000 2.412 2801 K HA 0.143 4.463 4.320 0.000 0.000 0.281 2801 K C -0.034 176.576 176.600 0.017 0.000 1.027 2801 K CA 0.049 56.344 56.287 0.014 0.000 0.989 2801 K CB 0.407 32.914 32.500 0.012 0.000 0.935 2801 K HN 0.688 nan 8.250 nan 0.000 0.475 2802 E N 1.643 121.851 120.200 0.013 0.000 2.227 2802 E HA 0.251 4.601 4.350 0.000 0.000 0.268 2802 E C -0.746 175.860 176.600 0.010 0.000 0.907 2802 E CA -1.110 55.298 56.400 0.013 0.000 0.786 2802 E CB 1.371 31.076 29.700 0.008 0.000 1.191 2802 E HN 0.487 nan 8.360 nan 0.000 0.411 2803 T N 1.060 115.621 114.554 0.011 0.000 2.906 2803 T HA -0.038 4.312 4.350 0.000 0.000 0.320 2803 T C 0.730 175.433 174.700 0.006 0.000 1.088 2803 T CA 0.145 62.250 62.100 0.009 0.000 1.120 2803 T CB 0.513 69.387 68.868 0.011 0.000 1.000 2803 T HN 0.589 nan 8.240 nan 0.000 0.550 2804 E N 1.373 121.577 120.200 0.006 0.000 2.153 2804 E HA 0.020 4.370 4.350 0.000 0.000 0.194 2804 E C 1.270 177.872 176.600 0.003 0.000 0.988 2804 E CA 1.276 57.679 56.400 0.004 0.000 0.811 2804 E CB -0.333 29.369 29.700 0.004 0.000 0.746 2804 E HN 0.868 nan 8.360 nan 0.000 0.466 2805 T N -0.711 113.845 114.554 0.003 0.000 2.868 2805 T HA 0.095 4.445 4.350 0.000 0.000 0.292 2805 T C 0.206 174.906 174.700 0.000 0.000 1.028 2805 T CA -0.916 61.186 62.100 0.002 0.000 1.059 2805 T CB 1.074 69.944 68.868 0.004 0.000 0.991 2805 T HN -0.174 nan 8.240 nan 0.000 0.531 2806 D N 1.067 121.466 120.400 -0.001 0.000 2.382 2806 D HA 0.431 5.071 4.640 0.000 0.000 0.259 2806 D C -0.345 175.951 176.300 -0.005 0.000 1.224 2806 D CA 0.175 54.172 54.000 -0.004 0.000 0.894 2806 D CB -0.149 40.648 40.800 -0.005 0.000 1.127 2806 D HN 0.938 nan 8.370 nan 0.000 0.487 2807 A N 3.704 126.519 122.820 -0.009 0.000 2.587 2807 A HA 0.724 5.044 4.320 0.000 0.000 0.293 2807 A C -1.061 176.508 177.584 -0.026 0.000 1.087 2807 A CA -0.802 51.227 52.037 -0.012 0.000 0.692 2807 A CB 1.498 20.495 19.000 -0.003 0.000 1.291 2807 A HN 0.614 nan 8.150 nan 0.000 0.407 2808 E N 0.492 120.668 120.200 -0.040 0.000 2.392 2808 E HA 0.592 4.942 4.350 0.000 0.000 0.279 2808 E C -1.597 174.932 176.600 -0.118 0.000 0.964 2808 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 2808 E CB 1.086 30.747 29.700 -0.065 0.000 1.249 2808 E HN 0.317 nan 8.360 nan 0.000 0.449 2809 I N 1.798 122.244 120.570 -0.207 0.000 2.556 2809 I HA 0.100 4.270 4.170 0.000 0.000 0.284 2809 I C 0.175 176.088 176.117 -0.339 0.000 1.114 2809 I CA 0.003 61.048 61.300 -0.425 0.000 1.418 2809 I CB 0.287 37.857 38.000 -0.717 0.000 1.394 2809 I HN 0.343 nan 8.210 nan 0.000 0.552 2810 R N 7.058 127.389 120.500 -0.282 0.000 2.332 2810 R HA 0.380 4.721 4.340 0.000 0.000 0.306 2810 R C -0.674 175.592 176.300 -0.056 0.000 1.117 2810 R CA -0.861 55.168 56.100 -0.118 0.000 1.108 2810 R CB 0.381 30.665 30.300 -0.027 0.000 1.126 2810 R HN 0.418 nan 8.270 nan 0.000 0.548 2811 I N 2.692 123.214 120.570 -0.079 0.000 2.648 2811 I HA -0.050 4.120 4.170 0.000 0.000 0.284 2811 I C 1.707 177.867 176.117 0.071 0.000 1.153 2811 I CA 0.790 62.113 61.300 0.038 0.000 1.426 2811 I CB 0.638 38.643 38.000 0.008 0.000 1.381 2811 I HN 0.536 nan 8.210 nan 0.000 0.571 2812 T N -0.118 114.506 114.554 0.116 0.000 2.975 2812 T HA 0.218 4.568 4.350 0.000 0.000 0.261 2812 T C 0.241 174.978 174.700 0.062 0.000 0.984 2812 T CA -0.232 61.915 62.100 0.078 0.000 0.911 2812 T CB 0.747 69.664 68.868 0.081 0.000 1.127 2812 T HN 0.616 nan 8.240 nan 0.000 0.514 2813 D N 0.462 120.906 120.400 0.074 0.000 2.769 2813 D HA 0.275 4.915 4.640 0.000 0.000 0.219 2813 D C -2.560 173.776 176.300 0.059 0.000 1.245 2813 D CA -1.477 52.555 54.000 0.053 0.000 0.801 2813 D CB 2.539 43.364 40.800 0.041 0.000 1.598 2813 D HN -0.325 nan 8.370 nan 0.000 0.485 2814 P HA -0.135 nan 4.420 nan 0.000 0.218 2814 P C 0.949 178.275 177.300 0.043 0.000 1.146 2814 P CA 1.610 64.733 63.100 0.040 0.000 0.820 2814 P CB 0.303 32.019 31.700 0.027 0.000 0.778 2815 A N -0.626 122.216 122.820 0.037 0.000 1.873 2815 A HA -0.181 4.139 4.320 0.000 0.000 0.215 2815 A C 2.128 179.736 177.584 0.039 0.000 1.186 2815 A CA 1.722 53.776 52.037 0.029 0.000 0.616 2815 A CB -0.937 18.071 19.000 0.014 0.000 0.823 2815 A HN 0.027 nan 8.150 nan 0.000 0.442 2816 K N -0.523 119.912 120.400 0.059 0.000 2.152 2816 K HA -0.077 4.243 4.320 0.000 0.000 0.206 2816 K C 1.700 178.448 176.600 0.247 0.000 1.048 2816 K CA 0.961 57.306 56.287 0.097 0.000 0.933 2816 K CB -0.520 32.074 32.500 0.156 0.000 0.721 2816 K HN 0.397 nan 8.250 nan 0.000 0.447 2817 L N 0.167 121.507 121.223 0.195 0.000 2.043 2817 L HA -0.200 4.140 4.340 0.000 0.000 0.212 2817 L C 1.749 178.718 176.870 0.165 0.000 1.075 2817 L CA 1.824 56.772 54.840 0.179 0.000 0.752 2817 L CB -0.263 41.851 42.059 0.092 0.000 0.891 2817 L HN 0.215 nan 8.230 nan 0.000 0.432 2818 M N -1.291 118.374 119.600 0.108 0.000 2.236 2818 M HA -0.110 4.370 4.480 0.000 0.000 0.266 2818 M C 2.211 178.547 176.300 0.061 0.000 1.070 2818 M CA 1.275 56.620 55.300 0.074 0.000 1.137 2818 M CB -1.090 31.536 32.600 0.044 0.000 1.378 2818 M HN 0.395 nan 8.290 nan 0.000 0.426 2819 E N 0.068 120.284 120.200 0.026 0.000 2.085 2819 E HA -0.189 4.161 4.350 0.000 0.000 0.194 2819 E C 1.899 178.445 176.600 -0.090 0.000 0.994 2819 E CA 1.280 57.639 56.400 -0.068 0.000 0.801 2819 E CB -0.039 29.563 29.700 -0.164 0.000 0.743 2819 E HN 0.384 nan 8.360 nan 0.000 0.453 2820 F N 0.494 120.449 119.950 0.010 0.000 2.134 2820 F HA -0.140 4.387 4.527 0.000 0.000 0.299 2820 F C 2.212 178.020 175.800 0.014 0.000 1.097 2820 F CA 0.932 58.938 58.000 0.010 0.000 1.264 2820 F CB -0.067 38.938 39.000 0.009 0.000 1.001 2820 F HN 0.055 nan 8.300 nan 0.000 0.479 2821 I N -0.319 120.374 120.570 0.205 0.000 2.226 2821 I HA -0.232 3.938 4.170 0.000 0.000 0.245 2821 I C 2.254 178.427 176.117 0.093 0.000 1.100 2821 I CA 1.141 62.517 61.300 0.127 0.000 1.374 2821 I CB -0.371 37.687 38.000 0.096 0.000 1.057 2821 I HN 0.095 nan 8.210 nan 0.000 0.413 2822 E N 0.279 120.520 120.200 0.069 0.000 2.150 2822 E HA -0.257 4.093 4.350 0.000 0.000 0.193 2822 E C 2.018 178.636 176.600 0.030 0.000 0.985 2822 E CA 0.974 57.401 56.400 0.045 0.000 0.814 2822 E CB -0.201 29.513 29.700 0.023 0.000 0.752 2822 E HN 0.433 nan 8.360 nan 0.000 0.466 2823 Q N 1.202 121.012 119.800 0.017 0.000 2.084 2823 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 2823 Q C 1.826 177.844 176.000 0.029 0.000 0.978 2823 Q CA 1.358 57.160 55.803 -0.002 0.000 0.844 2823 Q CB 0.039 28.752 28.738 -0.041 0.000 0.898 2823 Q HN 0.095 nan 8.270 nan 0.000 0.426 2824 E N 0.218 120.458 120.200 0.067 0.000 2.150 2824 E HA -0.149 4.201 4.350 0.000 0.000 0.193 2824 E C 1.823 178.462 176.600 0.065 0.000 0.985 2824 E CA 0.883 57.325 56.400 0.070 0.000 0.814 2824 E CB 0.001 29.754 29.700 0.089 0.000 0.752 2824 E HN 0.487 nan 8.360 nan 0.000 0.466 2825 E N 0.924 121.173 120.200 0.082 0.000 2.072 2825 E HA -0.162 4.188 4.350 0.000 0.000 0.191 2825 E C 2.024 178.635 176.600 0.018 0.000 0.985 2825 E CA 0.738 57.213 56.400 0.125 0.000 0.801 2825 E CB -0.147 29.645 29.700 0.153 0.000 0.750 2825 E HN 0.222 nan 8.360 nan 0.000 0.452 2826 K N 0.506 120.897 120.400 -0.014 0.000 2.057 2826 K HA -0.092 4.228 4.320 0.000 0.000 0.207 2826 K C 2.282 178.821 176.600 -0.102 0.000 1.049 2826 K CA 1.073 57.316 56.287 -0.072 0.000 0.931 2826 K CB -0.043 32.431 32.500 -0.042 0.000 0.714 2826 K HN 0.014 nan 8.250 nan 0.000 0.440 2827 M N 0.428 119.995 119.600 -0.055 0.000 2.065 2827 M HA -0.212 4.268 4.480 0.000 0.000 0.259 2827 M C 2.214 178.467 176.300 -0.079 0.000 1.069 2827 M CA 1.388 56.660 55.300 -0.048 0.000 1.110 2827 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 2827 M HN 0.191 nan 8.290 nan 0.000 0.405 2828 L N 0.226 121.400 121.223 -0.082 0.000 2.109 2828 L HA -0.096 4.245 4.340 0.000 0.000 0.207 2828 L C 2.279 178.971 176.870 -0.296 0.000 1.086 2828 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 2828 L CB -0.619 41.475 42.059 0.058 0.000 0.910 2828 L HN 0.173 nan 8.230 nan 0.000 0.437 2829 K N -0.666 119.351 120.400 -0.638 0.000 2.063 2829 K HA -0.204 4.116 4.320 0.000 0.000 0.208 2829 K C 1.590 177.958 176.600 -0.386 0.000 1.048 2829 K CA 1.819 57.546 56.287 -0.934 0.000 0.928 2829 K CB -0.060 31.909 32.500 -0.886 0.000 0.713 2829 K HN 0.336 nan 8.250 nan 0.000 0.442 2830 D N 0.367 120.625 120.400 -0.237 0.000 2.144 2830 D HA -0.128 4.512 4.640 0.000 0.000 0.200 2830 D C 1.906 178.148 176.300 -0.096 0.000 0.978 2830 D CA 1.110 55.031 54.000 -0.132 0.000 0.833 2830 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 2830 D HN 0.295 nan 8.370 nan 0.000 0.470 2831 M N 0.032 119.575 119.600 -0.093 0.000 2.080 2831 M HA -0.155 4.325 4.480 0.000 0.000 0.260 2831 M C 2.274 178.550 176.300 -0.040 0.000 1.068 2831 M CA 1.079 56.347 55.300 -0.053 0.000 1.109 2831 M CB -0.211 32.366 32.600 -0.038 0.000 1.342 2831 M HN -0.103 nan 8.290 nan 0.000 0.405 2832 V N 0.191 120.073 119.914 -0.054 0.000 2.427 2832 V HA -0.199 3.921 4.120 0.000 0.000 0.248 2832 V C 2.590 178.670 176.094 -0.022 0.000 1.051 2832 V CA 1.800 64.089 62.300 -0.019 0.000 1.048 2832 V CB -1.115 30.719 31.823 0.018 0.000 0.666 2832 V HN 0.521 nan 8.190 nan 0.000 0.456 2833 A N -0.427 122.363 122.820 -0.051 0.000 1.978 2833 A HA -0.199 4.121 4.320 0.000 0.000 0.220 2833 A C 2.189 179.758 177.584 -0.024 0.000 1.170 2833 A CA 1.615 53.629 52.037 -0.037 0.000 0.636 2833 A CB -0.317 18.649 19.000 -0.056 0.000 0.810 2833 A HN 0.535 nan 8.150 nan 0.000 0.448 2834 E N -0.119 120.066 120.200 -0.025 0.000 2.107 2834 E HA -0.074 4.276 4.350 0.000 0.000 0.191 2834 E C 1.979 178.575 176.600 -0.007 0.000 0.982 2834 E CA 0.834 57.225 56.400 -0.015 0.000 0.809 2834 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 2834 E HN 0.741 nan 8.360 nan 0.000 0.459 2835 I N 1.350 121.917 120.570 -0.005 0.000 2.226 2835 I HA -0.247 3.923 4.170 0.000 0.000 0.245 2835 I C 2.636 178.755 176.117 0.004 0.000 1.100 2835 I CA 1.040 62.342 61.300 0.002 0.000 1.374 2835 I CB -0.256 37.746 38.000 0.004 0.000 1.057 2835 I HN -0.019 nan 8.210 nan 0.000 0.413 2836 K N 1.662 122.063 120.400 0.002 0.000 2.057 2836 K HA -0.141 4.179 4.320 0.000 0.000 0.207 2836 K C 2.125 178.727 176.600 0.003 0.000 1.049 2836 K CA 1.759 58.049 56.287 0.004 0.000 0.931 2836 K CB -0.242 32.262 32.500 0.005 0.000 0.714 2836 K HN 0.296 nan 8.250 nan 0.000 0.440 2837 A N 0.624 123.444 122.820 -0.000 0.000 2.019 2837 A HA -0.107 4.213 4.320 0.000 0.000 0.219 2837 A C 2.202 179.787 177.584 0.003 0.000 1.164 2837 A CA 1.962 53.998 52.037 -0.000 0.000 0.644 2837 A CB -0.468 18.530 19.000 -0.004 0.000 0.805 2837 A HN 0.380 nan 8.150 nan 0.000 0.449 2838 S N -1.721 113.982 115.700 0.005 0.000 2.419 2838 S HA 0.205 4.675 4.470 0.000 0.000 0.233 2838 S C 1.647 176.254 174.600 0.011 0.000 1.016 2838 S CA 1.303 59.508 58.200 0.008 0.000 0.974 2838 S CB -0.199 63.007 63.200 0.010 0.000 0.786 2838 S HN 1.674 nan 8.310 nan 0.000 0.492 2839 G N 0.668 109.474 108.800 0.010 0.000 2.179 2839 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 2839 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 2839 G C 0.135 175.043 174.900 0.014 0.000 0.990 2839 G CA -0.124 44.983 45.100 0.011 0.000 0.646 2839 G HN 0.858 nan 8.290 nan 0.000 0.517 2840 A N 0.508 123.337 122.820 0.014 0.000 2.425 2840 A HA 0.598 4.918 4.320 0.000 0.000 0.249 2840 A C 1.081 178.670 177.584 0.009 0.000 1.084 2840 A CA 1.034 53.081 52.037 0.016 0.000 0.781 2840 A CB 0.257 19.267 19.000 0.017 0.000 1.019 2840 A HN 1.217 nan 8.150 nan 0.000 0.490 2841 N N 0.044 118.748 118.700 0.007 0.000 2.067 2841 N HA 0.113 4.853 4.740 0.000 0.000 0.227 2841 N C -0.857 174.639 175.510 -0.022 0.000 1.348 2841 N CA 0.209 53.257 53.050 -0.004 0.000 0.879 2841 N CB 0.311 38.800 38.487 0.003 0.000 1.109 2841 N HN 0.260 nan 8.380 nan 0.000 0.501 2842 V N 1.620 121.521 119.914 -0.021 0.000 2.540 2842 V HA 0.620 4.740 4.120 0.000 0.000 0.302 2842 V C -1.263 174.776 176.094 -0.092 0.000 1.035 2842 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 2842 V CB 1.881 33.703 31.823 -0.002 0.000 0.992 2842 V HN 0.217 nan 8.190 nan 0.000 0.428 2843 L N 5.291 126.366 121.223 -0.247 0.000 2.438 2843 L HA 0.732 5.072 4.340 0.000 0.000 0.270 2843 L C -1.659 174.976 176.870 -0.391 0.000 0.972 2843 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 2843 L CB 1.730 43.735 42.059 -0.090 0.000 1.273 2843 L HN 0.466 nan 8.230 nan 0.000 0.405 2844 F N 4.558 124.518 119.950 0.017 0.000 2.449 2844 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 2844 F C 0.008 175.816 175.800 0.013 0.000 1.127 2844 F CA -0.410 57.599 58.000 0.016 0.000 0.975 2844 F CB 1.701 40.711 39.000 0.016 0.000 1.146 2844 F HN 0.565 nan 8.300 nan 0.000 0.444 2845 C N 4.737 124.129 119.300 0.154 0.000 2.322 2845 C HA 0.276 4.736 4.460 0.000 0.000 0.324 2845 C C 1.522 176.569 174.990 0.096 0.000 1.284 2845 C CA -0.418 58.658 59.018 0.096 0.000 1.606 2845 C CB 0.982 28.751 27.740 0.049 0.000 2.251 2845 C HN 0.958 nan 8.230 nan 0.000 0.502 2846 Q N 3.104 122.948 119.800 0.074 0.000 2.119 2846 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 2846 Q C 0.818 176.843 176.000 0.042 0.000 0.972 2846 Q CA 1.588 57.424 55.803 0.055 0.000 0.847 2846 Q CB 0.171 28.932 28.738 0.038 0.000 0.903 2846 Q HN 0.756 nan 8.270 nan 0.000 0.433 2847 K N -1.067 119.354 120.400 0.036 0.000 2.520 2847 K HA 0.416 4.737 4.320 0.000 0.000 0.256 2847 K C 0.327 176.942 176.600 0.025 0.000 1.033 2847 K CA -0.183 56.120 56.287 0.026 0.000 1.007 2847 K CB 0.071 32.583 32.500 0.020 0.000 1.330 2847 K HN 0.102 nan 8.250 nan 0.000 0.507 2848 G N 0.351 109.161 108.800 0.017 0.000 2.569 2848 G HA2 0.387 4.347 3.960 0.000 0.000 0.249 2848 G HA3 0.387 4.347 3.960 0.000 0.000 0.249 2848 G C -0.486 174.418 174.900 0.006 0.000 1.216 2848 G CA -0.497 44.609 45.100 0.010 0.000 0.845 2848 G HN 0.367 nan 8.290 nan 0.000 0.568 2849 I N 0.918 121.487 120.570 -0.003 0.000 2.439 2849 I HA 0.150 4.320 4.170 0.000 0.000 0.285 2849 I C -0.410 175.689 176.117 -0.031 0.000 1.021 2849 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 2849 I CB 1.934 39.926 38.000 -0.014 0.000 1.242 2849 I HN 0.422 nan 8.210 nan 0.000 0.439 2850 D N 5.229 125.608 120.400 -0.034 0.000 2.455 2850 D HA -0.054 4.586 4.640 0.000 0.000 0.241 2850 D C 0.668 176.890 176.300 -0.130 0.000 1.138 2850 D CA 0.175 54.138 54.000 -0.061 0.000 0.877 2850 D CB 1.313 42.088 40.800 -0.041 0.000 1.187 2850 D HN 0.480 nan 8.370 nan 0.000 0.451 2851 D N 2.861 123.152 120.400 -0.182 0.000 2.172 2851 D HA -0.202 4.438 4.640 0.000 0.000 0.196 2851 D C 1.746 177.553 176.300 -0.820 0.000 0.999 2851 D CA 0.667 54.445 54.000 -0.370 0.000 0.856 2851 D CB 0.006 40.642 40.800 -0.273 0.000 0.934 2851 D HN 0.371 nan 8.370 nan 0.000 0.453 2852 L N 0.621 121.525 121.223 -0.532 0.000 2.083 2852 L HA -0.070 4.270 4.340 0.000 0.000 0.209 2852 L C 2.105 178.856 176.870 -0.199 0.000 1.083 2852 L CA 1.723 56.310 54.840 -0.423 0.000 0.752 2852 L CB -0.697 41.304 42.059 -0.095 0.000 0.899 2852 L HN -0.013 nan 8.230 nan 0.000 0.433 2853 A N -1.172 121.611 122.820 -0.061 0.000 1.933 2853 A HA -0.241 4.079 4.320 0.000 0.000 0.218 2853 A C 2.167 179.769 177.584 0.030 0.000 1.175 2853 A CA 1.695 53.777 52.037 0.074 0.000 0.628 2853 A CB -0.537 18.486 19.000 0.038 0.000 0.814 2853 A HN 0.651 nan 8.150 nan 0.000 0.444 2854 Q N -1.054 118.698 119.800 -0.081 0.000 2.170 2854 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 2854 Q C 1.786 177.814 176.000 0.047 0.000 0.976 2854 Q CA 1.563 57.346 55.803 -0.033 0.000 0.858 2854 Q CB -0.339 28.366 28.738 -0.053 0.000 0.907 2854 Q HN 0.891 nan 8.270 nan 0.000 0.433 2855 H N -1.342 117.669 119.070 -0.098 0.000 2.389 2855 H HA -0.124 4.432 4.556 0.000 0.000 0.299 2855 H C 1.306 176.519 175.328 -0.192 0.000 1.081 2855 H CA 1.030 56.962 56.048 -0.194 0.000 1.345 2855 H CB 0.108 29.669 29.762 -0.334 0.000 1.393 2855 H HN 0.305 nan 8.280 nan 0.000 0.520 2856 Y N 0.384 120.750 120.300 0.109 0.000 2.365 2856 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 2856 Y C 2.404 178.322 175.900 0.029 0.000 1.119 2856 Y CA 0.086 58.218 58.100 0.054 0.000 1.203 2856 Y CB 0.117 38.597 38.460 0.033 0.000 1.026 2856 Y HN 0.072 nan 8.280 nan 0.000 0.549 2857 L N -0.616 120.707 121.223 0.166 0.000 2.083 2857 L HA -0.246 4.094 4.340 0.000 0.000 0.209 2857 L C 2.649 179.552 176.870 0.055 0.000 1.083 2857 L CA 1.069 55.959 54.840 0.083 0.000 0.752 2857 L CB -0.630 41.455 42.059 0.044 0.000 0.899 2857 L HN 0.240 nan 8.230 nan 0.000 0.433 2858 A N -0.164 122.688 122.820 0.053 0.000 1.969 2858 A HA -0.238 4.082 4.320 0.000 0.000 0.218 2858 A C 2.372 179.975 177.584 0.032 0.000 1.169 2858 A CA 1.696 53.752 52.037 0.031 0.000 0.635 2858 A CB -0.384 18.630 19.000 0.023 0.000 0.810 2858 A HN 0.322 nan 8.150 nan 0.000 0.445 2859 K N -0.367 120.068 120.400 0.058 0.000 2.097 2859 K HA -0.145 4.175 4.320 0.000 0.000 0.206 2859 K C 1.030 177.658 176.600 0.047 0.000 1.049 2859 K CA 1.511 57.834 56.287 0.060 0.000 0.933 2859 K CB -0.002 32.565 32.500 0.112 0.000 0.717 2859 K HN 0.353 nan 8.250 nan 0.000 0.442 2860 E N -0.760 119.469 120.200 0.048 0.000 2.474 2860 E HA 0.059 4.409 4.350 0.000 0.000 0.195 2860 E C 0.603 177.215 176.600 0.018 0.000 1.039 2860 E CA 0.628 57.047 56.400 0.031 0.000 0.881 2860 E CB 0.880 30.599 29.700 0.031 0.000 0.970 2860 E HN 0.540 nan 8.360 nan 0.000 0.486 2861 G N 2.118 110.927 108.800 0.016 0.000 2.176 2861 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 2861 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 2861 G C 0.231 175.129 174.900 -0.002 0.000 1.024 2861 G CA 0.108 45.211 45.100 0.005 0.000 0.755 2861 G HN 0.273 nan 8.290 nan 0.000 0.507 2862 I N 0.993 121.562 120.570 -0.002 0.000 2.352 2862 I HA 0.378 4.548 4.170 0.000 0.000 0.290 2862 I C 1.124 177.219 176.117 -0.037 0.000 1.036 2862 I CA -0.956 60.333 61.300 -0.017 0.000 1.336 2862 I CB 1.375 39.368 38.000 -0.011 0.000 1.407 2862 I HN 0.165 nan 8.210 nan 0.000 0.497 2863 V N 4.069 123.946 119.914 -0.061 0.000 2.546 2863 V HA 0.889 5.009 4.120 0.000 0.000 0.284 2863 V C 0.116 176.108 176.094 -0.170 0.000 1.050 2863 V CA -0.215 62.029 62.300 -0.094 0.000 0.981 2863 V CB 1.118 32.888 31.823 -0.088 0.000 0.990 2863 V HN 0.830 nan 8.190 nan 0.000 0.474 2864 A N 3.709 126.424 122.820 -0.174 0.000 2.539 2864 A HA 1.020 5.340 4.320 0.000 0.000 0.296 2864 A C -0.357 177.100 177.584 -0.212 0.000 1.073 2864 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 2864 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 2864 A HN 2.417 nan 8.150 nan 0.000 0.405 2865 A N 1.525 124.193 122.820 -0.253 0.000 2.381 2865 A HA 0.740 5.060 4.320 0.000 0.000 0.299 2865 A C -0.092 177.499 177.584 0.012 0.000 1.049 2865 A CA -0.595 51.393 52.037 -0.083 0.000 0.715 2865 A CB 0.924 19.923 19.000 -0.002 0.000 1.222 2865 A HN 1.276 nan 8.150 nan 0.000 0.428 2866 R N 2.020 122.538 120.500 0.029 0.000 2.602 2866 R HA 0.696 5.036 4.340 0.000 0.000 0.237 2866 R C 0.374 176.711 176.300 0.062 0.000 1.219 2866 R CA -0.152 55.973 56.100 0.042 0.000 1.121 2866 R CB 0.340 30.650 30.300 0.017 0.000 1.408 2866 R HN 1.067 nan 8.270 nan 0.000 0.559 2867 R N -1.199 119.331 120.500 0.049 0.000 3.502 2867 R HA -0.130 4.210 4.340 0.000 0.000 0.266 2867 R C -1.234 175.099 176.300 0.056 0.000 1.077 2867 R CA 0.707 56.833 56.100 0.044 0.000 0.718 2867 R CB -2.558 27.762 30.300 0.032 0.000 1.120 2867 R HN 0.291 nan 8.270 nan 0.000 0.457 2868 V N 1.281 121.241 119.914 0.077 0.000 2.614 2868 V HA 0.082 4.202 4.120 0.000 0.000 0.291 2868 V C 1.178 177.297 176.094 0.042 0.000 1.049 2868 V CA -0.178 62.171 62.300 0.081 0.000 1.038 2868 V CB 1.411 33.311 31.823 0.129 0.000 0.980 2868 V HN 0.329 nan 8.190 nan 0.000 0.481 2869 K N 3.069 123.483 120.400 0.024 0.000 2.448 2869 K HA 0.025 4.345 4.320 0.000 0.000 0.278 2869 K C 1.174 177.774 176.600 -0.001 0.000 1.009 2869 K CA -0.291 56.001 56.287 0.009 0.000 0.995 2869 K CB 0.526 33.027 32.500 0.001 0.000 0.917 2869 K HN 0.616 nan 8.250 nan 0.000 0.481 2870 K N 2.307 122.708 120.400 0.001 0.000 2.113 2870 K HA -0.188 4.132 4.320 0.000 0.000 0.208 2870 K C 1.853 178.443 176.600 -0.016 0.000 1.047 2870 K CA 2.126 58.411 56.287 -0.004 0.000 0.928 2870 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 2870 K HN 0.580 nan 8.250 nan 0.000 0.446 2871 S N 0.164 115.853 115.700 -0.018 0.000 2.370 2871 S HA -0.154 4.316 4.470 0.000 0.000 0.226 2871 S C 1.344 175.919 174.600 -0.042 0.000 1.033 2871 S CA 1.758 59.943 58.200 -0.026 0.000 1.011 2871 S CB -0.391 62.795 63.200 -0.022 0.000 0.852 2871 S HN 0.427 nan 8.310 nan 0.000 0.457 2872 D N 0.417 120.787 120.400 -0.050 0.000 2.234 2872 D HA 0.025 4.665 4.640 0.000 0.000 0.205 2872 D C 1.929 178.158 176.300 -0.118 0.000 0.962 2872 D CA 0.607 54.556 54.000 -0.085 0.000 0.855 2872 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 2872 D HN 0.390 nan 8.370 nan 0.000 0.500 2873 M N 0.748 120.300 119.600 -0.080 0.000 2.159 2873 M HA -0.097 4.383 4.480 0.000 0.000 0.263 2873 M C 1.827 178.088 176.300 -0.064 0.000 1.063 2873 M CA 1.231 56.487 55.300 -0.072 0.000 1.110 2873 M CB -0.722 31.866 32.600 -0.020 0.000 1.374 2873 M HN 0.071 nan 8.290 nan 0.000 0.411 2874 E N -0.075 120.095 120.200 -0.051 0.000 2.112 2874 E HA -0.126 4.224 4.350 0.000 0.000 0.190 2874 E C 2.016 178.584 176.600 -0.054 0.000 0.979 2874 E CA 0.789 57.164 56.400 -0.042 0.000 0.814 2874 E CB 0.016 29.698 29.700 -0.030 0.000 0.762 2874 E HN 0.492 nan 8.360 nan 0.000 0.460 2875 K N 0.575 120.932 120.400 -0.070 0.000 2.148 2875 K HA -0.075 4.245 4.320 0.000 0.000 0.204 2875 K C 2.100 178.642 176.600 -0.098 0.000 1.050 2875 K CA 0.751 56.991 56.287 -0.078 0.000 0.942 2875 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 2875 K HN 0.098 nan 8.250 nan 0.000 0.446 2876 L N 0.286 121.428 121.223 -0.136 0.000 2.072 2876 L HA -0.131 4.209 4.340 0.000 0.000 0.205 2876 L C 2.559 179.376 176.870 -0.088 0.000 1.079 2876 L CA 0.968 55.710 54.840 -0.164 0.000 0.752 2876 L CB -0.506 41.376 42.059 -0.295 0.000 0.906 2876 L HN 0.182 nan 8.230 nan 0.000 0.436 2877 A N 0.196 122.979 122.820 -0.062 0.000 1.902 2877 A HA -0.208 4.112 4.320 0.000 0.000 0.217 2877 A C 2.328 179.900 177.584 -0.020 0.000 1.181 2877 A CA 1.638 53.659 52.037 -0.027 0.000 0.623 2877 A CB -0.286 18.702 19.000 -0.019 0.000 0.818 2877 A HN 0.306 nan 8.150 nan 0.000 0.443 2878 K N -0.433 119.951 120.400 -0.028 0.000 2.031 2878 K HA 0.028 4.348 4.320 0.000 0.000 0.205 2878 K C 2.386 178.978 176.600 -0.013 0.000 1.049 2878 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 2878 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 2878 K HN 0.416 nan 8.250 nan 0.000 0.438 2879 A N 1.187 123.990 122.820 -0.028 0.000 1.855 2879 A HA -0.146 4.174 4.320 0.000 0.000 0.215 2879 A C 2.304 179.882 177.584 -0.011 0.000 1.191 2879 A CA 2.225 54.247 52.037 -0.025 0.000 0.613 2879 A CB -1.061 17.910 19.000 -0.049 0.000 0.829 2879 A HN 0.469 nan 8.150 nan 0.000 0.442 2880 T N -4.240 110.305 114.554 -0.015 0.000 3.043 2880 T HA 0.352 4.702 4.350 0.000 0.000 0.263 2880 T C 1.459 176.170 174.700 0.019 0.000 1.094 2880 T CA 1.237 63.339 62.100 0.004 0.000 1.127 2880 T CB -0.183 68.690 68.868 0.008 0.000 0.905 2880 T HN 1.813 nan 8.240 nan 0.000 0.490 2881 G N 1.441 110.250 108.800 0.016 0.000 2.143 2881 G HA2 -0.037 3.924 3.960 0.000 0.000 0.248 2881 G HA3 -0.037 3.924 3.960 0.000 0.000 0.248 2881 G C 0.259 175.172 174.900 0.022 0.000 0.991 2881 G CA 0.023 45.136 45.100 0.022 0.000 0.689 2881 G HN 1.209 nan 8.290 nan 0.000 0.522 2882 A N -0.385 122.447 122.820 0.019 0.000 2.445 2882 A HA 0.594 4.914 4.320 0.000 0.000 0.242 2882 A C 0.378 177.975 177.584 0.021 0.000 1.075 2882 A CA 0.611 52.664 52.037 0.028 0.000 0.777 2882 A CB 0.397 19.419 19.000 0.038 0.000 1.013 2882 A HN 0.912 nan 8.150 nan 0.000 0.493 2883 N N 1.427 120.142 118.700 0.025 0.000 2.417 2883 N HA 0.400 5.140 4.740 0.000 0.000 0.274 2883 N C -0.867 174.657 175.510 0.023 0.000 0.987 2883 N CA -0.373 52.688 53.050 0.019 0.000 0.912 2883 N CB 1.316 39.814 38.487 0.017 0.000 1.177 2883 N HN 0.334 nan 8.380 nan 0.000 0.490 2884 V N 4.058 123.983 119.914 0.019 0.000 2.540 2884 V HA 0.101 4.221 4.120 0.000 0.000 0.297 2884 V C 0.487 176.594 176.094 0.021 0.000 1.024 2884 V CA 0.151 62.464 62.300 0.022 0.000 1.105 2884 V CB -0.129 31.704 31.823 0.016 0.000 0.938 2884 V HN 0.591 nan 8.190 nan 0.000 0.482 2885 I N 4.287 124.872 120.570 0.025 0.000 2.740 2885 I HA 0.472 4.642 4.170 0.000 0.000 0.303 2885 I C 1.108 177.236 176.117 0.020 0.000 1.044 2885 I CA 0.323 61.636 61.300 0.020 0.000 1.064 2885 I CB 2.433 40.446 38.000 0.021 0.000 1.249 2885 I HN 0.784 nan 8.210 nan 0.000 0.433 2886 T N 2.353 116.916 114.554 0.015 0.000 2.904 2886 T HA 0.187 4.537 4.350 0.000 0.000 0.243 2886 T C 0.781 175.488 174.700 0.013 0.000 1.024 2886 T CA 0.283 62.391 62.100 0.014 0.000 1.158 2886 T CB -0.340 68.534 68.868 0.011 0.000 0.867 2886 T HN 0.429 nan 8.240 nan 0.000 0.429 2887 N N 0.630 119.336 118.700 0.010 0.000 2.456 2887 N HA 0.364 5.104 4.740 0.000 0.000 0.288 2887 N C 0.950 176.465 175.510 0.009 0.000 1.059 2887 N CA -0.585 52.470 53.050 0.008 0.000 0.946 2887 N CB 1.108 39.598 38.487 0.006 0.000 1.150 2887 N HN 0.288 nan 8.380 nan 0.000 0.479 2888 I N 2.203 122.778 120.570 0.007 0.000 2.264 2888 I HA -0.235 3.935 4.170 0.000 0.000 0.248 2888 I C 1.955 178.074 176.117 0.002 0.000 1.111 2888 I CA 0.899 62.202 61.300 0.005 0.000 1.382 2888 I CB 0.028 38.029 38.000 0.002 0.000 1.060 2888 I HN 0.450 nan 8.210 nan 0.000 0.418 2889 K N 0.406 120.806 120.400 0.000 0.000 2.211 2889 K HA -0.156 4.164 4.320 0.000 0.000 0.203 2889 K C 1.423 178.024 176.600 0.001 0.000 1.050 2889 K CA 1.214 57.500 56.287 -0.002 0.000 0.945 2889 K CB -0.322 32.177 32.500 -0.003 0.000 0.732 2889 K HN 0.335 nan 8.250 nan 0.000 0.451 2890 D N 0.583 120.985 120.400 0.004 0.000 2.249 2890 D HA -0.064 4.576 4.640 0.000 0.000 0.205 2890 D C 0.578 176.883 176.300 0.008 0.000 0.962 2890 D CA 0.032 54.036 54.000 0.006 0.000 0.860 2890 D CB -0.170 40.634 40.800 0.007 0.000 0.955 2890 D HN -0.014 nan 8.370 nan 0.000 0.505 2891 L N 1.581 122.810 121.223 0.010 0.000 2.628 2891 L HA 0.024 4.364 4.340 0.000 0.000 0.274 2891 L C 0.328 177.205 176.870 0.011 0.000 1.209 2891 L CA 0.236 55.083 54.840 0.013 0.000 0.930 2891 L CB 0.042 42.110 42.059 0.015 0.000 1.183 2891 L HN -0.056 nan 8.230 nan 0.000 0.492 2892 S N 3.355 119.063 115.700 0.013 0.000 2.704 2892 S HA 0.800 5.270 4.470 0.000 0.000 0.296 2892 S C 0.853 175.462 174.600 0.015 0.000 1.138 2892 S CA -0.388 57.819 58.200 0.011 0.000 0.875 2892 S CB 1.263 64.469 63.200 0.010 0.000 1.151 2892 S HN 0.812 nan 8.310 nan 0.000 0.500 2893 A N 0.516 123.344 122.820 0.014 0.000 1.978 2893 A HA -0.089 4.231 4.320 0.000 0.000 0.220 2893 A C 2.026 179.621 177.584 0.017 0.000 1.170 2893 A CA 1.376 53.422 52.037 0.016 0.000 0.636 2893 A CB -0.925 18.083 19.000 0.014 0.000 0.810 2893 A HN 0.738 nan 8.150 nan 0.000 0.448 2894 Q N 0.066 119.875 119.800 0.015 0.000 2.437 2894 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 2894 Q C 0.642 176.653 176.000 0.017 0.000 0.972 2894 Q CA 1.160 56.972 55.803 0.015 0.000 0.903 2894 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 2894 Q HN 0.682 nan 8.270 nan 0.000 0.486 2895 D N -0.280 120.131 120.400 0.019 0.000 2.346 2895 D HA 0.076 4.716 4.640 0.000 0.000 0.206 2895 D C 0.489 176.806 176.300 0.029 0.000 1.001 2895 D CA 0.093 54.106 54.000 0.022 0.000 0.871 2895 D CB 0.648 41.461 40.800 0.021 0.000 0.943 2895 D HN 0.198 nan 8.370 nan 0.000 0.518 2896 L N 1.031 122.272 121.223 0.030 0.000 2.380 2896 L HA 0.381 4.721 4.340 0.000 0.000 0.273 2896 L C 1.154 178.047 176.870 0.038 0.000 1.138 2896 L CA -0.452 54.410 54.840 0.037 0.000 0.832 2896 L CB 1.214 43.294 42.059 0.034 0.000 1.124 2896 L HN -0.143 nan 8.230 nan 0.000 0.454 2897 G N 1.206 110.033 108.800 0.046 0.000 2.491 2897 G HA2 0.456 4.416 3.960 0.000 0.000 0.327 2897 G HA3 0.456 4.416 3.960 0.000 0.000 0.327 2897 G C -1.188 173.739 174.900 0.045 0.000 1.189 2897 G CA -0.489 44.636 45.100 0.042 0.000 0.956 2897 G HN 0.533 nan 8.290 nan 0.000 0.491 2898 D N -0.171 120.251 120.400 0.038 0.000 2.248 2898 D HA 0.594 5.234 4.640 0.000 0.000 0.246 2898 D C -0.354 175.964 176.300 0.030 0.000 1.027 2898 D CA 0.029 54.049 54.000 0.033 0.000 0.853 2898 D CB 2.078 42.893 40.800 0.025 0.000 1.243 2898 D HN 0.553 nan 8.370 nan 0.000 0.462 2899 A N 0.588 123.430 122.820 0.037 0.000 2.398 2899 A HA 0.604 4.924 4.320 0.000 0.000 0.301 2899 A C 0.997 178.600 177.584 0.031 0.000 1.041 2899 A CA -0.486 51.573 52.037 0.036 0.000 0.711 2899 A CB 1.656 20.694 19.000 0.063 0.000 1.240 2899 A HN 0.515 nan 8.150 nan 0.000 0.420 2900 G N 0.653 109.464 108.800 0.019 0.000 2.422 2900 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 2900 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 2900 G C 0.326 175.243 174.900 0.029 0.000 1.146 2900 G CA 1.690 46.800 45.100 0.016 0.000 0.769 2900 G HN 1.136 nan 8.290 nan 0.000 0.547 2901 L N -0.072 121.177 121.223 0.043 0.000 2.505 2901 L HA 0.599 4.939 4.340 0.000 0.000 0.266 2901 L C -1.313 175.608 176.870 0.084 0.000 0.954 2901 L CA -0.753 54.120 54.840 0.056 0.000 0.852 2901 L CB 2.503 44.594 42.059 0.053 0.000 1.282 2901 L HN -0.143 nan 8.230 nan 0.000 0.403 2902 V N 4.486 124.453 119.914 0.089 0.000 2.350 2902 V HA 0.633 4.753 4.120 0.000 0.000 0.285 2902 V C -0.411 175.740 176.094 0.095 0.000 1.014 2902 V CA -0.420 61.954 62.300 0.124 0.000 0.831 2902 V CB 1.322 33.229 31.823 0.140 0.000 1.000 2902 V HN 0.823 nan 8.190 nan 0.000 0.433 2903 E N 3.214 123.480 120.200 0.110 0.000 2.308 2903 E HA 0.391 4.741 4.350 0.000 0.000 0.275 2903 E C -0.965 175.642 176.600 0.012 0.000 0.890 2903 E CA -0.681 55.747 56.400 0.047 0.000 0.754 2903 E CB 2.169 31.884 29.700 0.024 0.000 1.207 2903 E HN 0.734 nan 8.360 nan 0.000 0.426 2904 E N 4.133 124.318 120.200 -0.026 0.000 2.180 2904 E HA 0.217 4.567 4.350 0.000 0.000 0.283 2904 E C -0.896 175.612 176.600 -0.153 0.000 1.061 2904 E CA -0.152 56.211 56.400 -0.061 0.000 0.861 2904 E CB 0.641 30.322 29.700 -0.032 0.000 1.056 2904 E HN 0.335 nan 8.360 nan 0.000 0.407 2905 R N 3.680 124.008 120.500 -0.287 0.000 2.686 2905 R HA 0.396 4.736 4.340 0.000 0.000 0.283 2905 R C -0.802 175.323 176.300 -0.292 0.000 0.978 2905 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 2905 R CB 2.006 31.875 30.300 -0.718 0.000 1.192 2905 R HN 0.325 nan 8.270 nan 0.000 0.457 2906 K N 2.391 122.678 120.400 -0.188 0.000 2.213 2906 K HA 0.414 4.734 4.320 0.000 0.000 0.270 2906 K C -0.773 175.776 176.600 -0.085 0.000 1.002 2906 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 2906 K CB 1.273 33.735 32.500 -0.063 0.000 1.093 2906 K HN 0.296 nan 8.250 nan 0.000 0.454 2907 I N 1.947 122.494 120.570 -0.038 0.000 2.390 2907 I HA 0.086 4.256 4.170 0.000 0.000 0.283 2907 I C 0.044 176.171 176.117 0.015 0.000 1.016 2907 I CA -0.178 61.126 61.300 0.006 0.000 1.151 2907 I CB 1.675 39.718 38.000 0.070 0.000 1.293 2907 I HN 0.578 nan 8.210 nan 0.000 0.458 2908 S N 4.471 120.176 115.700 0.009 0.000 3.581 2908 S HA -0.193 4.277 4.470 0.000 0.000 0.354 2908 S C 1.362 175.965 174.600 0.005 0.000 1.059 2908 S CA 1.065 59.270 58.200 0.009 0.000 1.060 2908 S CB -1.330 61.880 63.200 0.016 0.000 0.908 2908 S HN 1.457 nan 8.310 nan 0.000 0.475 2909 G N 0.439 109.238 108.800 -0.002 0.000 2.358 2909 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 2909 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 2909 G C -0.365 174.532 174.900 -0.004 0.000 1.073 2909 G CA 0.045 45.142 45.100 -0.005 0.000 0.635 2909 G HN 0.607 nan 8.290 nan 0.000 0.509 2910 D N 1.881 122.284 120.400 0.006 0.000 2.412 2910 D HA 0.386 5.026 4.640 0.000 0.000 0.257 2910 D C 0.476 176.781 176.300 0.008 0.000 1.217 2910 D CA 0.900 54.908 54.000 0.014 0.000 0.897 2910 D CB 1.405 42.222 40.800 0.028 0.000 1.132 2910 D HN 0.276 nan 8.370 nan 0.000 0.493 2911 S N 3.434 119.137 115.700 0.005 0.000 2.481 2911 S HA 0.368 4.838 4.470 0.000 0.000 0.276 2911 S C -0.141 174.476 174.600 0.028 0.000 1.247 2911 S CA -0.425 57.772 58.200 -0.005 0.000 1.053 2911 S CB 0.149 63.346 63.200 -0.005 0.000 0.925 2911 S HN 0.315 nan 8.310 nan 0.000 0.491 2912 M N 4.436 124.049 119.600 0.023 0.000 2.619 2912 M HA 0.534 5.014 4.480 0.000 0.000 0.297 2912 M C -1.068 175.304 176.300 0.121 0.000 1.229 2912 M CA -0.652 54.723 55.300 0.125 0.000 0.860 2912 M CB 2.151 34.921 32.600 0.285 0.000 1.741 2912 M HN 0.441 nan 8.290 nan 0.000 0.462 2913 I N 1.998 122.715 120.570 0.246 0.000 2.330 2913 I HA 0.337 4.507 4.170 0.000 0.000 0.289 2913 I C -1.261 175.148 176.117 0.488 0.000 1.001 2913 I CA -0.458 61.010 61.300 0.279 0.000 1.193 2913 I CB 0.897 39.060 38.000 0.272 0.000 1.345 2913 I HN 0.391 nan 8.210 nan 0.000 0.461 2914 F N 6.256 126.246 119.950 0.066 0.000 2.391 2914 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 2914 F C 0.227 176.062 175.800 0.058 0.000 1.122 2914 F CA -0.994 57.033 58.000 0.045 0.000 1.120 2914 F CB 1.309 40.326 39.000 0.028 0.000 1.142 2914 F HN 0.001 nan 8.300 nan 0.000 0.483 2915 V N 4.915 124.927 119.914 0.163 0.000 2.311 2915 V HA 0.363 4.483 4.120 0.000 0.000 0.275 2915 V C -0.247 175.870 176.094 0.039 0.000 1.022 2915 V CA -0.577 61.785 62.300 0.104 0.000 0.830 2915 V CB 0.695 32.551 31.823 0.054 0.000 1.012 2915 V HN 0.786 nan 8.190 nan 0.000 0.452 2916 E N 3.317 123.552 120.200 0.058 0.000 2.433 2916 E HA 0.679 5.029 4.350 0.000 0.000 0.273 2916 E C -0.819 175.793 176.600 0.020 0.000 0.950 2916 E CA -0.911 55.506 56.400 0.027 0.000 0.796 2916 E CB 1.754 31.486 29.700 0.053 0.000 1.330 2916 E HN 0.231 nan 8.360 nan 0.000 0.455 2917 E N -0.944 119.256 120.200 0.001 0.000 2.596 2917 E HA -0.141 4.209 4.350 0.000 0.000 0.272 2917 E C -0.704 175.880 176.600 -0.026 0.000 1.039 2917 E CA 0.477 56.871 56.400 -0.011 0.000 0.804 2917 E CB -2.406 27.295 29.700 0.001 0.000 1.373 2917 E HN 0.597 nan 8.360 nan 0.000 0.404 2918 C N 0.814 120.095 119.300 -0.031 0.000 2.679 2918 C HA 0.049 4.509 4.460 0.000 0.000 0.417 2918 C C 2.285 177.223 174.990 -0.086 0.000 1.302 2918 C CA 0.054 59.049 59.018 -0.039 0.000 1.973 2918 C CB 0.357 28.080 27.740 -0.029 0.000 2.715 2918 C HN 0.389 nan 8.230 nan 0.000 0.628 2919 K N 0.859 121.193 120.400 -0.110 0.000 1.973 2919 K HA -0.068 4.252 4.320 0.000 0.000 0.212 2919 K C 0.448 176.753 176.600 -0.491 0.000 1.047 2919 K CA 1.303 57.425 56.287 -0.276 0.000 0.937 2919 K CB -0.058 32.328 32.500 -0.191 0.000 0.721 2919 K HN 0.686 nan 8.250 nan 0.000 0.440 2920 H N 0.389 119.457 119.070 -0.002 0.000 2.380 2920 H HA 0.244 4.800 4.556 0.000 0.000 0.231 2920 H C -2.501 172.821 175.328 -0.009 0.000 1.415 2920 H CA -1.982 54.063 56.048 -0.005 0.000 1.433 2920 H CB 0.649 30.409 29.762 -0.004 0.000 1.544 2920 H HN 0.197 nan 8.280 nan 0.000 0.503 2921 P HA 0.138 nan 4.420 nan 0.000 0.275 2921 P C 0.380 177.695 177.300 0.024 0.000 1.227 2921 P CA -0.527 62.585 63.100 0.021 0.000 0.781 2921 P CB 1.843 33.537 31.700 -0.010 0.000 0.906 2922 K N 0.619 121.026 120.400 0.010 0.000 2.373 2922 K HA 0.460 4.780 4.320 0.000 0.000 0.202 2922 K C 0.185 176.778 176.600 -0.012 0.000 1.025 2922 K CA 0.042 56.330 56.287 0.003 0.000 1.115 2922 K CB 0.530 33.031 32.500 0.001 0.000 0.858 2922 K HN 0.574 nan 8.250 nan 0.000 0.525 2923 A N -0.205 122.603 122.820 -0.020 0.000 2.520 2923 A HA 0.715 5.036 4.320 0.000 0.000 0.298 2923 A C -1.612 175.947 177.584 -0.041 0.000 1.051 2923 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 2923 A CB 1.775 20.749 19.000 -0.043 0.000 1.281 2923 A HN -0.051 nan 8.150 nan 0.000 0.402 2924 V N 0.867 120.754 119.914 -0.046 0.000 3.007 2924 V HA 0.852 4.972 4.120 0.000 0.000 0.311 2924 V C -0.801 175.252 176.094 -0.068 0.000 1.120 2924 V CA -0.153 62.115 62.300 -0.054 0.000 0.980 2924 V CB 2.660 34.459 31.823 -0.041 0.000 1.033 2924 V HN 1.084 nan 8.190 nan 0.000 0.429 2925 T N 6.601 121.101 114.554 -0.089 0.000 2.848 2925 T HA 0.498 4.848 4.350 0.000 0.000 0.285 2925 T C -0.608 174.030 174.700 -0.103 0.000 0.995 2925 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 2925 T CB 1.327 70.100 68.868 -0.159 0.000 0.976 2925 T HN 0.751 nan 8.240 nan 0.000 0.441 2926 M N 4.539 124.091 119.600 -0.081 0.000 2.114 2926 M HA 0.571 5.051 4.480 0.000 0.000 0.332 2926 M C -1.559 174.705 176.300 -0.060 0.000 1.014 2926 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 2926 M CB 0.726 33.302 32.600 -0.040 0.000 1.551 2926 M HN 0.493 nan 8.290 nan 0.000 0.427 2927 L N 7.517 128.706 121.223 -0.058 0.000 2.257 2927 L HA 0.561 4.901 4.340 0.000 0.000 0.290 2927 L C -1.409 175.458 176.870 -0.005 0.000 1.044 2927 L CA 0.026 54.846 54.840 -0.034 0.000 0.810 2927 L CB 0.680 42.723 42.059 -0.027 0.000 1.193 2927 L HN 0.697 nan 8.230 nan 0.000 0.425 2928 I N 5.897 126.466 120.570 -0.001 0.000 2.336 2928 I HA 0.495 4.665 4.170 0.000 0.000 0.292 2928 I C 0.060 176.186 176.117 0.015 0.000 0.991 2928 I CA -0.665 60.638 61.300 0.006 0.000 1.227 2928 I CB 0.800 38.801 38.000 0.000 0.000 1.366 2928 I HN 0.550 nan 8.210 nan 0.000 0.466 2929 R N 3.963 124.474 120.500 0.019 0.000 2.902 2929 R HA 0.912 5.252 4.340 0.000 0.000 0.258 2929 R C -0.271 176.041 176.300 0.019 0.000 1.071 2929 R CA -1.063 55.050 56.100 0.022 0.000 1.024 2929 R CB 1.944 32.260 30.300 0.027 0.000 1.184 2929 R HN 0.859 nan 8.270 nan 0.000 0.492 2930 G N -1.107 107.705 108.800 0.021 0.000 2.328 2930 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 2930 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 2930 G C -0.003 174.911 174.900 0.023 0.000 1.435 2930 G CA -0.079 45.033 45.100 0.022 0.000 0.865 2930 G HN 0.390 nan 8.290 nan 0.000 0.601 2931 T N -0.812 113.757 114.554 0.025 0.000 2.995 2931 T HA 0.305 4.655 4.350 0.000 0.000 0.269 2931 T C 0.829 175.549 174.700 0.033 0.000 1.091 2931 T CA 2.312 64.427 62.100 0.026 0.000 1.128 2931 T CB -0.249 68.634 68.868 0.025 0.000 0.891 2931 T HN 0.764 nan 8.240 nan 0.000 0.492 2932 T N 0.093 114.672 114.554 0.041 0.000 2.889 2932 T HA 0.305 4.655 4.350 0.000 0.000 0.315 2932 T C 0.260 174.988 174.700 0.047 0.000 1.291 2932 T CA -0.651 61.484 62.100 0.059 0.000 1.028 2932 T CB 2.102 71.025 68.868 0.091 0.000 1.235 2932 T HN -0.020 nan 8.240 nan 0.000 0.491 2933 E N 0.944 121.158 120.200 0.023 0.000 2.049 2933 E HA -0.219 4.131 4.350 0.000 0.000 0.198 2933 E C 1.383 177.927 176.600 -0.093 0.000 1.007 2933 E CA 2.220 58.580 56.400 -0.066 0.000 0.809 2933 E CB -0.229 29.378 29.700 -0.153 0.000 0.749 2933 E HN 0.742 nan 8.360 nan 0.000 0.450 2934 H N -1.157 117.917 119.070 0.007 0.000 2.456 2934 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 2934 H C 1.989 177.320 175.328 0.006 0.000 1.079 2934 H CA 1.250 57.302 56.048 0.006 0.000 1.322 2934 H CB 0.051 29.816 29.762 0.005 0.000 1.388 2934 H HN 0.041 nan 8.280 nan 0.000 0.538 2935 V N 1.192 121.176 119.914 0.117 0.000 2.323 2935 V HA -0.197 3.923 4.120 0.000 0.000 0.244 2935 V C 2.300 178.417 176.094 0.039 0.000 1.041 2935 V CA 1.874 64.215 62.300 0.067 0.000 1.025 2935 V CB -0.438 31.416 31.823 0.053 0.000 0.656 2935 V HN 0.546 nan 8.190 nan 0.000 0.451 2936 I N -1.948 118.637 120.570 0.024 0.000 2.830 2936 I HA -0.068 4.102 4.170 0.000 0.000 0.263 2936 I C 2.077 178.194 176.117 0.001 0.000 1.230 2936 I CA 1.404 62.709 61.300 0.010 0.000 1.480 2936 I CB -0.524 37.478 38.000 0.003 0.000 1.095 2936 I HN 0.294 nan 8.210 nan 0.000 0.455 2937 E N 1.482 121.680 120.200 -0.004 0.000 2.076 2937 E HA -0.202 4.148 4.350 0.000 0.000 0.190 2937 E C 2.045 178.651 176.600 0.010 0.000 0.979 2937 E CA 1.060 57.454 56.400 -0.011 0.000 0.807 2937 E CB -0.009 29.669 29.700 -0.037 0.000 0.761 2937 E HN 0.615 nan 8.360 nan 0.000 0.454 2938 E N 0.719 120.936 120.200 0.027 0.000 2.106 2938 E HA -0.159 4.191 4.350 0.000 0.000 0.192 2938 E C 2.060 178.672 176.600 0.020 0.000 0.984 2938 E CA 0.901 57.319 56.400 0.029 0.000 0.806 2938 E CB 0.238 29.961 29.700 0.039 0.000 0.750 2938 E HN 0.022 nan 8.360 nan 0.000 0.458 2939 V N 1.234 121.159 119.914 0.018 0.000 2.343 2939 V HA -0.250 3.870 4.120 0.000 0.000 0.247 2939 V C 2.464 178.562 176.094 0.007 0.000 1.051 2939 V CA 1.736 64.044 62.300 0.013 0.000 1.036 2939 V CB -0.733 31.097 31.823 0.012 0.000 0.654 2939 V HN 0.437 nan 8.190 nan 0.000 0.451 2940 A N -0.276 122.546 122.820 0.003 0.000 1.933 2940 A HA -0.200 4.120 4.320 0.000 0.000 0.218 2940 A C 2.359 179.942 177.584 -0.001 0.000 1.175 2940 A CA 1.481 53.517 52.037 -0.002 0.000 0.628 2940 A CB -0.417 18.579 19.000 -0.007 0.000 0.814 2940 A HN 0.384 nan 8.150 nan 0.000 0.444 2941 R N -0.545 119.957 120.500 0.004 0.000 2.090 2941 R HA 0.039 4.379 4.340 0.000 0.000 0.228 2941 R C 2.422 178.726 176.300 0.006 0.000 1.110 2941 R CA 1.280 57.383 56.100 0.005 0.000 0.973 2941 R CB -1.087 29.218 30.300 0.009 0.000 0.869 2941 R HN 0.525 nan 8.270 nan 0.000 0.440 2942 A N 0.973 123.798 122.820 0.009 0.000 1.902 2942 A HA -0.128 4.192 4.320 0.000 0.000 0.217 2942 A C 2.271 179.859 177.584 0.007 0.000 1.181 2942 A CA 1.932 53.975 52.037 0.011 0.000 0.623 2942 A CB -0.609 18.399 19.000 0.014 0.000 0.818 2942 A HN 0.211 nan 8.150 nan 0.000 0.443 2943 V N -2.406 117.510 119.914 0.003 0.000 2.719 2943 V HA -0.112 4.008 4.120 0.000 0.000 0.252 2943 V C 1.926 178.018 176.094 -0.003 0.000 1.065 2943 V CA 2.044 64.344 62.300 -0.000 0.000 1.086 2943 V CB -0.628 31.193 31.823 -0.003 0.000 0.700 2943 V HN 0.542 nan 8.190 nan 0.000 0.467 2944 D N 1.079 121.477 120.400 -0.003 0.000 2.097 2944 D HA -0.241 4.399 4.640 0.000 0.000 0.195 2944 D C 1.681 177.980 176.300 -0.002 0.000 0.989 2944 D CA 2.056 56.054 54.000 -0.004 0.000 0.827 2944 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 2944 D HN 0.509 nan 8.370 nan 0.000 0.456 2945 D N 0.338 120.739 120.400 0.001 0.000 2.144 2945 D HA -0.067 4.573 4.640 0.000 0.000 0.200 2945 D C 2.010 178.312 176.300 0.002 0.000 0.978 2945 D CA 1.132 55.134 54.000 0.003 0.000 0.833 2945 D CB -0.440 40.363 40.800 0.005 0.000 0.961 2945 D HN 0.266 nan 8.370 nan 0.000 0.470 2946 A N 0.663 123.484 122.820 0.002 0.000 1.908 2946 A HA -0.152 4.168 4.320 0.000 0.000 0.218 2946 A C 2.507 180.090 177.584 -0.001 0.000 1.181 2946 A CA 1.290 53.328 52.037 0.001 0.000 0.627 2946 A CB -0.784 18.217 19.000 0.001 0.000 0.818 2946 A HN 0.151 nan 8.150 nan 0.000 0.445 2947 V N -0.112 119.800 119.914 -0.003 0.000 2.427 2947 V HA -0.165 3.955 4.120 0.000 0.000 0.248 2947 V C 2.803 178.894 176.094 -0.004 0.000 1.051 2947 V CA 1.858 64.155 62.300 -0.005 0.000 1.048 2947 V CB -1.414 30.405 31.823 -0.008 0.000 0.666 2947 V HN 0.626 nan 8.190 nan 0.000 0.456 2948 G N 0.585 109.383 108.800 -0.003 0.000 2.446 2948 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 2948 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 2948 G C 1.701 176.600 174.900 -0.001 0.000 1.168 2948 G CA 1.632 46.731 45.100 -0.002 0.000 0.771 2948 G HN 0.601 nan 8.290 nan 0.000 0.551 2949 V N -1.537 118.378 119.914 0.000 0.000 2.719 2949 V HA 0.029 4.149 4.120 0.000 0.000 0.252 2949 V C 2.613 178.707 176.094 0.000 0.000 1.065 2949 V CA 1.212 63.513 62.300 0.001 0.000 1.086 2949 V CB -0.302 31.523 31.823 0.003 0.000 0.700 2949 V HN 0.130 nan 8.190 nan 0.000 0.467 2950 V N 2.092 122.005 119.914 -0.001 0.000 2.358 2950 V HA -0.032 4.089 4.120 0.000 0.000 0.246 2950 V C 2.918 179.011 176.094 -0.003 0.000 1.047 2950 V CA 2.247 64.546 62.300 -0.002 0.000 1.035 2950 V CB -1.333 30.488 31.823 -0.003 0.000 0.658 2950 V HN 0.613 nan 8.190 nan 0.000 0.452 2951 G N -1.264 107.535 108.800 -0.003 0.000 2.422 2951 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 2951 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 2951 G C 1.707 176.606 174.900 -0.002 0.000 1.146 2951 G CA 1.293 46.391 45.100 -0.003 0.000 0.769 2951 G HN 0.536 nan 8.290 nan 0.000 0.547 2952 C N 0.250 119.549 119.300 -0.001 0.000 2.440 2952 C HA 0.024 4.484 4.460 0.000 0.000 0.278 2952 C C 3.147 178.137 174.990 -0.000 0.000 1.295 2952 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 2952 C CB -0.810 26.931 27.740 0.001 0.000 1.987 2952 C HN 0.405 nan 8.230 nan 0.000 0.492 2953 T N 0.709 115.263 114.554 -0.001 0.000 3.043 2953 T HA 0.113 4.463 4.350 0.000 0.000 0.263 2953 T C 1.567 176.266 174.700 -0.001 0.000 1.094 2953 T CA 0.737 62.837 62.100 -0.001 0.000 1.127 2953 T CB -0.122 68.745 68.868 -0.001 0.000 0.905 2953 T HN 0.468 nan 8.240 nan 0.000 0.490 2954 I N 0.762 121.331 120.570 -0.002 0.000 2.333 2954 I HA -0.048 4.122 4.170 0.000 0.000 0.246 2954 I C 2.454 178.570 176.117 -0.002 0.000 1.106 2954 I CA 1.210 62.509 61.300 -0.002 0.000 1.411 2954 I CB -0.116 37.882 38.000 -0.003 0.000 1.082 2954 I HN 0.254 nan 8.210 nan 0.000 0.420 2955 E N 0.063 120.262 120.200 -0.002 0.000 2.122 2955 E HA -0.056 4.294 4.350 0.000 0.000 0.190 2955 E C -0.072 176.527 176.600 -0.001 0.000 0.977 2955 E CA 0.659 57.058 56.400 -0.002 0.000 0.820 2955 E CB 0.269 29.968 29.700 -0.002 0.000 0.770 2955 E HN 0.347 nan 8.360 nan 0.000 0.462 2956 D N 0.164 120.564 120.400 -0.001 0.000 2.446 2956 D HA 0.128 4.768 4.640 0.000 0.000 0.251 2956 D C -0.088 176.211 176.300 -0.000 0.000 1.137 2956 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 2956 D CB 1.437 42.237 40.800 0.000 0.000 1.071 2956 D HN 0.092 nan 8.370 nan 0.000 0.528 2957 G N 2.258 111.058 108.800 -0.001 0.000 3.340 2957 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 2957 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 2957 G C 0.613 175.513 174.900 -0.000 0.000 1.327 2957 G CA -0.147 44.952 45.100 -0.001 0.000 1.170 2957 G HN 0.080 nan 8.290 nan 0.000 0.520 2958 R N 0.354 120.855 120.500 0.000 0.000 2.494 2958 R HA 0.568 4.908 4.340 0.000 0.000 0.305 2958 R C -0.102 176.200 176.300 0.002 0.000 0.959 2958 R CA -0.644 55.457 56.100 0.001 0.000 0.864 2958 R CB 1.755 32.056 30.300 0.001 0.000 1.159 2958 R HN 0.388 nan 8.270 nan 0.000 0.446 2959 I N -1.265 119.307 120.570 0.003 0.000 3.002 2959 I HA 0.809 4.979 4.170 0.000 0.000 0.310 2959 I C -0.183 175.938 176.117 0.007 0.000 1.087 2959 I CA -1.301 60.002 61.300 0.005 0.000 1.017 2959 I CB 2.446 40.448 38.000 0.004 0.000 1.226 2959 I HN 0.301 nan 8.210 nan 0.000 0.443 2960 V N -0.295 119.625 119.914 0.010 0.000 3.078 2960 V HA 0.673 4.793 4.120 0.000 0.000 0.311 2960 V C 0.093 176.198 176.094 0.018 0.000 1.138 2960 V CA -0.582 61.727 62.300 0.015 0.000 1.007 2960 V CB 1.178 33.011 31.823 0.017 0.000 1.045 2960 V HN 1.026 nan 8.190 nan 0.000 0.432 2961 S N 1.509 117.223 115.700 0.024 0.000 2.562 2961 S HA 0.646 5.116 4.470 0.000 0.000 0.281 2961 S C 0.559 175.179 174.600 0.034 0.000 1.333 2961 S CA 0.170 58.388 58.200 0.029 0.000 1.052 2961 S CB 0.845 64.065 63.200 0.035 0.000 0.884 2961 S HN 1.792 nan 8.310 nan 0.000 0.506 2962 G N 0.370 109.191 108.800 0.035 0.000 2.630 2962 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 2962 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 2962 G C 0.913 175.839 174.900 0.043 0.000 1.434 2962 G CA -0.550 44.572 45.100 0.037 0.000 1.057 2962 G HN 2.030 nan 8.290 nan 0.000 0.570 2963 G N -1.992 106.835 108.800 0.045 0.000 2.179 2963 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 2963 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 2963 G C 1.467 176.381 174.900 0.025 0.000 1.010 2963 G CA 1.177 46.303 45.100 0.044 0.000 0.736 2963 G HN 2.472 nan 8.290 nan 0.000 0.513 2964 G N -1.361 107.447 108.800 0.012 0.000 2.162 2964 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 2964 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 2964 G C 1.467 176.358 174.900 -0.015 0.000 0.976 2964 G CA 1.687 46.780 45.100 -0.012 0.000 0.655 2964 G HN 1.952 nan 8.290 nan 0.000 0.533 2965 S N 0.034 115.752 115.700 0.029 0.000 2.370 2965 S HA -0.164 4.306 4.470 0.000 0.000 0.226 2965 S C 2.796 177.428 174.600 0.053 0.000 1.033 2965 S CA 2.765 61.015 58.200 0.083 0.000 1.011 2965 S CB -0.553 62.732 63.200 0.142 0.000 0.852 2965 S HN 1.320 nan 8.310 nan 0.000 0.457 2966 T N 0.104 114.678 114.554 0.033 0.000 2.595 2966 T HA -0.090 4.260 4.350 0.000 0.000 0.264 2966 T C 1.605 176.293 174.700 -0.021 0.000 1.058 2966 T CA 1.596 63.709 62.100 0.022 0.000 1.166 2966 T CB -1.021 67.856 68.868 0.014 0.000 0.863 2966 T HN 0.349 nan 8.240 nan 0.000 0.415 2967 E N 0.899 121.074 120.200 -0.042 0.000 2.171 2967 E HA -0.069 4.281 4.350 0.000 0.000 0.197 2967 E C 2.275 178.811 176.600 -0.107 0.000 0.997 2967 E CA 0.850 57.209 56.400 -0.068 0.000 0.810 2967 E CB -0.828 28.826 29.700 -0.076 0.000 0.738 2967 E HN 0.437 nan 8.360 nan 0.000 0.467 2968 V N 0.407 120.218 119.914 -0.172 0.000 2.379 2968 V HA -0.216 3.904 4.120 0.000 0.000 0.245 2968 V C 2.279 178.148 176.094 -0.375 0.000 1.044 2968 V CA 1.839 63.950 62.300 -0.314 0.000 1.036 2968 V CB -0.426 31.102 31.823 -0.492 0.000 0.664 2968 V HN 0.223 nan 8.190 nan 0.000 0.453 2969 E N 0.428 120.439 120.200 -0.315 0.000 2.085 2969 E HA -0.225 4.125 4.350 0.000 0.000 0.194 2969 E C 1.878 178.488 176.600 0.016 0.000 0.994 2969 E CA 1.472 57.875 56.400 0.004 0.000 0.801 2969 E CB -0.337 29.475 29.700 0.186 0.000 0.743 2969 E HN 0.364 nan 8.360 nan 0.000 0.453 2970 L N 0.583 121.801 121.223 -0.008 0.000 2.056 2970 L HA -0.108 4.232 4.340 0.000 0.000 0.207 2970 L C 2.555 179.444 176.870 0.032 0.000 1.078 2970 L CA 2.019 56.872 54.840 0.021 0.000 0.749 2970 L CB -1.155 40.922 42.059 0.029 0.000 0.901 2970 L HN 0.311 nan 8.230 nan 0.000 0.433 2971 S N -1.904 113.792 115.700 -0.007 0.000 2.423 2971 S HA -0.165 4.305 4.470 0.000 0.000 0.231 2971 S C 1.954 176.567 174.600 0.021 0.000 1.014 2971 S CA 0.842 59.045 58.200 0.005 0.000 0.965 2971 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 2971 S HN 0.253 nan 8.310 nan 0.000 0.495 2972 M N 1.537 121.141 119.600 0.007 0.000 2.064 2972 M HA 0.065 4.545 4.480 0.000 0.000 0.260 2972 M C 2.180 178.519 176.300 0.065 0.000 1.073 2972 M CA 1.411 56.734 55.300 0.039 0.000 1.124 2972 M CB -0.935 31.702 32.600 0.062 0.000 1.326 2972 M HN 0.257 nan 8.290 nan 0.000 0.410 2973 K N 0.614 121.055 120.400 0.067 0.000 2.155 2973 K HA 0.065 4.385 4.320 0.000 0.000 0.203 2973 K C 2.024 178.688 176.600 0.108 0.000 1.052 2973 K CA 0.870 57.202 56.287 0.075 0.000 0.948 2973 K CB -0.482 32.048 32.500 0.050 0.000 0.728 2973 K HN 0.389 nan 8.250 nan 0.000 0.448 2974 L N 0.150 121.439 121.223 0.110 0.000 2.313 2974 L HA -0.031 4.309 4.340 0.000 0.000 0.214 2974 L C 2.385 179.377 176.870 0.203 0.000 1.119 2974 L CA 0.648 55.597 54.840 0.180 0.000 0.809 2974 L CB -0.185 41.980 42.059 0.177 0.000 0.933 2974 L HN 0.097 nan 8.230 nan 0.000 0.449 2975 R N 0.106 120.687 120.500 0.134 0.000 2.090 2975 R HA -0.124 4.216 4.340 0.000 0.000 0.228 2975 R C 2.053 178.408 176.300 0.092 0.000 1.110 2975 R CA 1.169 57.331 56.100 0.102 0.000 0.973 2975 R CB -0.078 30.264 30.300 0.070 0.000 0.869 2975 R HN 0.421 nan 8.270 nan 0.000 0.440 2976 E N -0.468 119.794 120.200 0.103 0.000 2.107 2976 E HA -0.194 4.156 4.350 0.000 0.000 0.191 2976 E C 1.549 178.215 176.600 0.110 0.000 0.982 2976 E CA 0.798 57.252 56.400 0.089 0.000 0.809 2976 E CB -0.087 29.664 29.700 0.085 0.000 0.756 2976 E HN 0.298 nan 8.360 nan 0.000 0.459 2977 Y N 1.587 121.901 120.300 0.023 0.000 2.181 2977 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 2977 Y C 2.182 178.092 175.900 0.017 0.000 1.146 2977 Y CA 1.292 59.402 58.100 0.017 0.000 1.164 2977 Y CB -0.426 38.042 38.460 0.014 0.000 0.982 2977 Y HN -0.011 nan 8.280 nan 0.000 0.515 2978 A N 0.380 123.193 122.820 -0.012 0.000 1.883 2978 A HA -0.188 4.132 4.320 0.000 0.000 0.217 2978 A C 2.131 179.657 177.584 -0.096 0.000 1.186 2978 A CA 1.914 53.907 52.037 -0.073 0.000 0.624 2978 A CB -0.636 18.387 19.000 0.039 0.000 0.822 2978 A HN 0.518 nan 8.150 nan 0.000 0.444 2979 E N -0.471 119.703 120.200 -0.044 0.000 2.110 2979 E HA -0.139 4.211 4.350 0.000 0.000 0.193 2979 E C 2.164 178.724 176.600 -0.066 0.000 0.988 2979 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 2979 E CB -0.692 29.004 29.700 -0.006 0.000 0.745 2979 E HN 0.599 nan 8.360 nan 0.000 0.458 2980 G N 1.476 110.220 108.800 -0.094 0.000 2.402 2980 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 2980 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 2980 G C 1.607 176.412 174.900 -0.157 0.000 1.162 2980 G CA 0.339 45.375 45.100 -0.106 0.000 0.777 2980 G HN 0.116 nan 8.290 nan 0.000 0.539 2981 I N 0.339 120.751 120.570 -0.264 0.000 2.202 2981 I HA -0.011 4.160 4.170 0.000 0.000 0.242 2981 I C 1.706 177.742 176.117 -0.135 0.000 1.091 2981 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 2981 I CB -1.167 36.620 38.000 -0.354 0.000 1.058 2981 I HN 0.324 nan 8.210 nan 0.000 0.410 2982 S N -1.226 114.408 115.700 -0.110 0.000 3.513 2982 S HA -0.105 4.365 4.470 0.000 0.000 0.636 2982 S C 0.714 175.282 174.600 -0.055 0.000 2.452 2982 S CA 1.398 59.559 58.200 -0.065 0.000 2.644 2982 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 2982 S HN 1.473 nan 8.310 nan 0.000 1.787 2983 G N 0.745 109.523 108.800 -0.037 0.000 2.575 2983 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 2983 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 2983 G C 0.089 174.976 174.900 -0.023 0.000 1.264 2983 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 2983 G HN 1.197 nan 8.290 nan 0.000 0.568 2984 R N 0.564 121.052 120.500 -0.019 0.000 2.240 2984 R HA 0.249 4.589 4.340 0.000 0.000 0.203 2984 R C 2.411 178.703 176.300 -0.013 0.000 1.011 2984 R CA 1.554 57.647 56.100 -0.012 0.000 1.007 2984 R CB -0.311 29.984 30.300 -0.008 0.000 0.911 2984 R HN 0.620 nan 8.270 nan 0.000 0.468 2985 E N 0.397 120.583 120.200 -0.024 0.000 2.153 2985 E HA -0.181 4.169 4.350 0.000 0.000 0.194 2985 E C 1.703 178.293 176.600 -0.017 0.000 0.988 2985 E CA 0.838 57.223 56.400 -0.025 0.000 0.811 2985 E CB -0.088 29.586 29.700 -0.043 0.000 0.746 2985 E HN 0.191 nan 8.360 nan 0.000 0.466 2986 Q N 0.575 120.358 119.800 -0.029 0.000 2.170 2986 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 2986 Q C 1.988 178.003 176.000 0.024 0.000 0.976 2986 Q CA 1.093 56.884 55.803 -0.019 0.000 0.858 2986 Q CB -0.061 28.659 28.738 -0.030 0.000 0.907 2986 Q HN 0.385 nan 8.270 nan 0.000 0.433 2987 L N 0.039 121.277 121.223 0.024 0.000 2.056 2987 L HA -0.124 4.216 4.340 0.000 0.000 0.207 2987 L C 2.626 179.546 176.870 0.083 0.000 1.078 2987 L CA 1.145 56.011 54.840 0.043 0.000 0.749 2987 L CB -0.681 41.394 42.059 0.025 0.000 0.901 2987 L HN 0.156 nan 8.230 nan 0.000 0.433 2988 A N -0.389 122.475 122.820 0.073 0.000 1.898 2988 A HA -0.105 4.215 4.320 0.000 0.000 0.216 2988 A C 2.316 180.079 177.584 0.298 0.000 1.181 2988 A CA 1.443 53.553 52.037 0.122 0.000 0.620 2988 A CB -0.706 18.281 19.000 -0.022 0.000 0.819 2988 A HN 0.178 nan 8.150 nan 0.000 0.442 2989 V N 0.024 120.059 119.914 0.202 0.000 2.427 2989 V HA -0.203 3.917 4.120 0.000 0.000 0.248 2989 V C 2.651 178.895 176.094 0.249 0.000 1.051 2989 V CA 2.246 64.685 62.300 0.233 0.000 1.048 2989 V CB -0.786 31.123 31.823 0.144 0.000 0.666 2989 V HN 0.615 nan 8.190 nan 0.000 0.456 2990 R N 1.173 121.777 120.500 0.173 0.000 2.081 2990 R HA -0.079 4.261 4.340 0.000 0.000 0.235 2990 R C 2.146 178.537 176.300 0.151 0.000 1.131 2990 R CA 1.892 58.075 56.100 0.138 0.000 0.960 2990 R CB -0.930 29.423 30.300 0.088 0.000 0.856 2990 R HN 0.439 nan 8.270 nan 0.000 0.436 2991 A N -0.471 122.465 122.820 0.192 0.000 1.902 2991 A HA -0.125 4.195 4.320 0.000 0.000 0.217 2991 A C 2.176 179.858 177.584 0.163 0.000 1.181 2991 A CA 1.364 53.514 52.037 0.190 0.000 0.623 2991 A CB -0.849 18.309 19.000 0.264 0.000 0.818 2991 A HN 0.485 nan 8.150 nan 0.000 0.443 2992 F N 0.930 120.929 119.950 0.081 0.000 2.075 2992 F HA -0.090 4.438 4.527 0.000 0.000 0.297 2992 F C 2.557 178.310 175.800 -0.080 0.000 1.113 2992 F CA 1.491 59.410 58.000 -0.135 0.000 1.218 2992 F CB -0.344 38.594 39.000 -0.102 0.000 0.984 2992 F HN 0.250 nan 8.300 nan 0.000 0.472 2993 A N -0.139 122.821 122.820 0.233 0.000 1.940 2993 A HA -0.212 4.108 4.320 0.000 0.000 0.219 2993 A C 1.878 179.454 177.584 -0.014 0.000 1.176 2993 A CA 2.110 54.222 52.037 0.126 0.000 0.631 2993 A CB -0.953 18.142 19.000 0.158 0.000 0.814 2993 A HN 0.471 nan 8.150 nan 0.000 0.446 2994 D N -0.195 120.199 120.400 -0.010 0.000 2.183 2994 D HA 0.067 4.707 4.640 0.000 0.000 0.203 2994 D C 2.170 178.414 176.300 -0.093 0.000 0.969 2994 D CA 1.223 55.201 54.000 -0.036 0.000 0.842 2994 D CB -0.391 40.406 40.800 -0.004 0.000 0.957 2994 D HN 0.414 nan 8.370 nan 0.000 0.484 2995 A N 0.732 123.459 122.820 -0.156 0.000 1.972 2995 A HA -0.119 4.201 4.320 0.000 0.000 0.219 2995 A C 2.242 179.683 177.584 -0.239 0.000 1.169 2995 A CA 0.794 52.701 52.037 -0.216 0.000 0.635 2995 A CB -0.730 18.071 19.000 -0.333 0.000 0.810 2995 A HN 0.235 nan 8.150 nan 0.000 0.446 2996 L N -0.419 120.643 121.223 -0.269 0.000 2.265 2996 L HA -0.122 4.218 4.340 0.000 0.000 0.215 2996 L C 1.962 178.747 176.870 -0.142 0.000 1.117 2996 L CA 0.735 55.441 54.840 -0.223 0.000 0.782 2996 L CB -0.467 41.470 42.059 -0.203 0.000 0.914 2996 L HN 0.316 nan 8.230 nan 0.000 0.441 2997 E N -0.227 119.903 120.200 -0.117 0.000 2.478 2997 E HA -0.115 4.235 4.350 0.000 0.000 0.198 2997 E C 2.180 178.732 176.600 -0.079 0.000 1.046 2997 E CA 0.515 56.863 56.400 -0.088 0.000 0.870 2997 E CB -0.076 29.582 29.700 -0.070 0.000 0.818 2997 E HN 0.293 nan 8.360 nan 0.000 0.527 2998 V N 0.979 120.839 119.914 -0.090 0.000 2.594 2998 V HA -0.203 3.917 4.120 0.000 0.000 0.253 2998 V C 1.818 177.871 176.094 -0.068 0.000 1.069 2998 V CA 0.956 63.210 62.300 -0.076 0.000 1.082 2998 V CB -0.191 31.582 31.823 -0.084 0.000 0.680 2998 V HN 0.132 nan 8.190 nan 0.000 0.469 2999 I N 0.553 121.079 120.570 -0.073 0.000 2.235 2999 I HA -0.017 4.153 4.170 0.000 0.000 0.241 2999 I C 0.197 176.283 176.117 -0.052 0.000 1.085 2999 I CA 1.367 62.630 61.300 -0.062 0.000 1.378 2999 I CB -2.823 35.138 38.000 -0.064 0.000 1.076 2999 I HN 0.319 nan 8.210 nan 0.000 0.415 3000 P HA -0.170 nan 4.420 nan 0.000 0.216 3000 P C 1.849 179.124 177.300 -0.042 0.000 1.150 3000 P CA 1.573 64.646 63.100 -0.045 0.000 0.843 3000 P CB -0.163 31.508 31.700 -0.050 0.000 0.787 3001 R N -0.227 120.245 120.500 -0.046 0.000 2.073 3001 R HA -0.108 4.232 4.340 0.000 0.000 0.234 3001 R C 1.953 178.228 176.300 -0.041 0.000 1.134 3001 R CA 2.332 58.407 56.100 -0.042 0.000 0.952 3001 R CB -0.847 29.427 30.300 -0.043 0.000 0.850 3001 R HN 0.242 nan 8.270 nan 0.000 0.433 3002 T N -0.945 113.582 114.554 -0.044 0.000 3.043 3002 T HA -0.055 4.295 4.350 0.000 0.000 0.263 3002 T C 1.779 176.451 174.700 -0.046 0.000 1.094 3002 T CA 0.544 62.617 62.100 -0.044 0.000 1.127 3002 T CB -0.097 68.744 68.868 -0.044 0.000 0.905 3002 T HN 0.174 nan 8.240 nan 0.000 0.490 3003 L N 1.877 123.072 121.223 -0.047 0.000 2.027 3003 L HA 0.277 4.617 4.340 0.000 0.000 0.206 3003 L C 2.771 179.607 176.870 -0.056 0.000 1.074 3003 L CA 1.891 56.700 54.840 -0.052 0.000 0.745 3003 L CB -1.169 40.863 42.059 -0.046 0.000 0.898 3003 L HN 0.314 nan 8.230 nan 0.000 0.433 3004 A N -1.096 121.696 122.820 -0.046 0.000 1.929 3004 A HA -0.190 4.130 4.320 0.000 0.000 0.216 3004 A C 2.297 179.856 177.584 -0.043 0.000 1.176 3004 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 3004 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 3004 A HN 0.596 nan 8.150 nan 0.000 0.444 3005 E N 0.160 120.336 120.200 -0.040 0.000 2.038 3005 E HA -0.250 4.100 4.350 0.000 0.000 0.195 3005 E C 1.584 178.160 176.600 -0.040 0.000 1.000 3005 E CA 1.550 57.928 56.400 -0.036 0.000 0.803 3005 E CB -0.153 29.526 29.700 -0.034 0.000 0.750 3005 E HN 0.537 nan 8.360 nan 0.000 0.448 3006 N N 0.208 118.880 118.700 -0.046 0.000 2.309 3006 N HA -0.092 4.648 4.740 0.000 0.000 0.182 3006 N C 1.413 176.887 175.510 -0.060 0.000 1.018 3006 N CA 1.108 54.128 53.050 -0.050 0.000 0.876 3006 N CB -0.296 38.160 38.487 -0.053 0.000 0.972 3006 N HN 0.235 nan 8.380 nan 0.000 0.434 3007 A N 0.030 122.808 122.820 -0.069 0.000 2.119 3007 A HA 0.267 4.587 4.320 0.000 0.000 0.217 3007 A C 1.532 179.079 177.584 -0.061 0.000 1.153 3007 A CA 1.148 53.135 52.037 -0.082 0.000 0.692 3007 A CB -0.513 18.431 19.000 -0.094 0.000 0.799 3007 A HN 0.335 nan 8.150 nan 0.000 0.458 3008 G N -1.595 107.176 108.800 -0.047 0.000 2.137 3008 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 3008 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 3008 G C -0.021 174.861 174.900 -0.030 0.000 1.002 3008 G CA 0.353 45.431 45.100 -0.036 0.000 0.702 3008 G HN 0.459 nan 8.290 nan 0.000 0.515 3009 L N 0.071 121.274 121.223 -0.032 0.000 2.352 3009 L HA 0.478 4.818 4.340 0.000 0.000 0.269 3009 L C 0.476 177.333 176.870 -0.022 0.000 1.034 3009 L CA -1.110 53.715 54.840 -0.026 0.000 0.806 3009 L CB 0.964 43.006 42.059 -0.028 0.000 1.244 3009 L HN 0.090 nan 8.230 nan 0.000 0.447 3010 D N 1.111 121.500 120.400 -0.017 0.000 2.363 3010 D HA 0.060 4.700 4.640 0.000 0.000 0.263 3010 D C 0.785 177.075 176.300 -0.016 0.000 1.258 3010 D CA 0.222 54.213 54.000 -0.015 0.000 0.907 3010 D CB 1.715 42.509 40.800 -0.011 0.000 1.107 3010 D HN 0.649 nan 8.370 nan 0.000 0.495 3011 A N 5.420 128.229 122.820 -0.019 0.000 1.917 3011 A HA -0.205 4.115 4.320 0.000 0.000 0.219 3011 A C 2.107 179.681 177.584 -0.018 0.000 1.182 3011 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 3011 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 3011 A HN 0.704 nan 8.150 nan 0.000 0.448 3012 I N -0.327 120.234 120.570 -0.014 0.000 2.193 3012 I HA -0.105 4.065 4.170 0.000 0.000 0.240 3012 I C 2.379 178.491 176.117 -0.009 0.000 1.084 3012 I CA 1.136 62.429 61.300 -0.011 0.000 1.365 3012 I CB -1.614 36.380 38.000 -0.009 0.000 1.064 3012 I HN 0.311 nan 8.210 nan 0.000 0.410 3013 E N 0.716 120.912 120.200 -0.007 0.000 2.110 3013 E HA -0.145 4.205 4.350 0.000 0.000 0.193 3013 E C 2.303 178.902 176.600 -0.003 0.000 0.988 3013 E CA 0.918 57.315 56.400 -0.004 0.000 0.804 3013 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 3013 E HN 0.348 nan 8.360 nan 0.000 0.458 3014 I N 0.604 121.170 120.570 -0.006 0.000 2.163 3014 I HA -0.224 3.946 4.170 0.000 0.000 0.240 3014 I C 2.326 178.440 176.117 -0.005 0.000 1.081 3014 I CA 0.777 62.074 61.300 -0.005 0.000 1.353 3014 I CB -0.955 37.038 38.000 -0.011 0.000 1.054 3014 I HN 0.118 nan 8.210 nan 0.000 0.407 3015 L N 0.110 121.327 121.223 -0.010 0.000 2.083 3015 L HA -0.151 4.189 4.340 0.000 0.000 0.209 3015 L C 2.548 179.414 176.870 -0.007 0.000 1.083 3015 L CA 1.314 56.145 54.840 -0.014 0.000 0.752 3015 L CB -0.982 41.065 42.059 -0.020 0.000 0.899 3015 L HN 0.001 nan 8.230 nan 0.000 0.433 3016 V N -1.229 118.684 119.914 -0.003 0.000 2.323 3016 V HA -0.222 3.898 4.120 0.000 0.000 0.244 3016 V C 2.504 178.604 176.094 0.010 0.000 1.041 3016 V CA 1.318 63.620 62.300 0.003 0.000 1.025 3016 V CB -0.381 31.444 31.823 0.003 0.000 0.656 3016 V HN 0.285 nan 8.190 nan 0.000 0.451 3017 K N -0.081 120.325 120.400 0.010 0.000 2.148 3017 K HA -0.050 4.270 4.320 0.000 0.000 0.204 3017 K C 1.887 178.503 176.600 0.026 0.000 1.050 3017 K CA 0.954 57.250 56.287 0.016 0.000 0.942 3017 K CB -0.530 31.977 32.500 0.013 0.000 0.724 3017 K HN 0.305 nan 8.250 nan 0.000 0.446 3018 V N 0.550 120.479 119.914 0.025 0.000 2.323 3018 V HA -0.169 3.951 4.120 0.000 0.000 0.244 3018 V C 2.140 178.271 176.094 0.063 0.000 1.041 3018 V CA 1.537 63.861 62.300 0.040 0.000 1.025 3018 V CB -0.305 31.532 31.823 0.023 0.000 0.656 3018 V HN 0.244 nan 8.190 nan 0.000 0.451 3019 R N 0.091 120.611 120.500 0.034 0.000 2.096 3019 R HA -0.103 4.237 4.340 0.000 0.000 0.235 3019 R C 2.418 178.764 176.300 0.077 0.000 1.127 3019 R CA 1.423 57.547 56.100 0.040 0.000 0.968 3019 R CB -0.546 29.755 30.300 0.001 0.000 0.861 3019 R HN 0.535 nan 8.270 nan 0.000 0.440 3020 A N 1.249 124.100 122.820 0.052 0.000 1.877 3020 A HA -0.100 4.220 4.320 0.000 0.000 0.216 3020 A C 2.364 179.979 177.584 0.053 0.000 1.186 3020 A CA 1.672 53.737 52.037 0.046 0.000 0.620 3020 A CB -0.586 18.432 19.000 0.029 0.000 0.822 3020 A HN 0.387 nan 8.150 nan 0.000 0.443 3021 A N -1.203 121.651 122.820 0.056 0.000 1.930 3021 A HA -0.143 4.177 4.320 0.000 0.000 0.217 3021 A C 1.991 179.607 177.584 0.053 0.000 1.175 3021 A CA 2.009 54.074 52.037 0.046 0.000 0.627 3021 A CB -0.832 18.194 19.000 0.044 0.000 0.815 3021 A HN 0.773 nan 8.150 nan 0.000 0.443 3022 H N -0.249 118.825 119.070 0.006 0.000 2.321 3022 H HA 0.046 4.602 4.556 0.000 0.000 0.300 3022 H C 2.206 177.538 175.328 0.008 0.000 1.087 3022 H CA 1.975 58.027 56.048 0.007 0.000 1.319 3022 H CB -0.135 29.631 29.762 0.006 0.000 1.379 3022 H HN 0.400 nan 8.280 nan 0.000 0.501 3023 A N -0.785 122.123 122.820 0.147 0.000 1.930 3023 A HA -0.141 4.179 4.320 0.000 0.000 0.217 3023 A C 2.529 180.124 177.584 0.019 0.000 1.175 3023 A CA 1.752 53.843 52.037 0.090 0.000 0.627 3023 A CB -0.906 18.148 19.000 0.091 0.000 0.815 3023 A HN 0.497 nan 8.150 nan 0.000 0.443 3024 S N -0.411 115.296 115.700 0.011 0.000 2.341 3024 S HA -0.088 4.382 4.470 0.000 0.000 0.216 3024 S C 1.857 176.442 174.600 -0.025 0.000 1.034 3024 S CA 1.256 59.454 58.200 -0.002 0.000 0.964 3024 S CB -0.349 62.855 63.200 0.006 0.000 0.882 3024 S HN 0.609 nan 8.310 nan 0.000 0.469 3025 N N 0.737 119.414 118.700 -0.039 0.000 2.368 3025 N HA 0.291 5.031 4.740 0.000 0.000 0.176 3025 N C 1.012 176.463 175.510 -0.097 0.000 1.021 3025 N CA 1.004 54.022 53.050 -0.053 0.000 0.888 3025 N CB 0.226 38.690 38.487 -0.039 0.000 0.995 3025 N HN 0.599 nan 8.380 nan 0.000 0.437 3026 G N 0.762 109.452 108.800 -0.183 0.000 2.373 3026 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 3026 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 3026 G C -0.199 174.412 174.900 -0.483 0.000 1.267 3026 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 3026 G HN 0.320 nan 8.290 nan 0.000 0.497 3027 N N -0.715 117.734 118.700 -0.418 0.000 2.412 3027 N HA 0.121 4.861 4.740 0.000 0.000 0.184 3027 N C 1.272 176.748 175.510 -0.057 0.000 1.101 3027 N CA 1.039 53.948 53.050 -0.236 0.000 0.881 3027 N CB 0.327 38.808 38.487 -0.011 0.000 0.969 3027 N HN 0.368 nan 8.380 nan 0.000 0.459 3028 K N -0.288 120.069 120.400 -0.072 0.000 2.358 3028 K HA 0.286 4.606 4.320 0.000 0.000 0.200 3028 K C -0.420 176.161 176.600 -0.031 0.000 1.030 3028 K CA -0.007 56.261 56.287 -0.032 0.000 1.097 3028 K CB 0.311 32.794 32.500 -0.027 0.000 0.862 3028 K HN 0.203 nan 8.250 nan 0.000 0.534 3029 C N 1.184 120.453 119.300 -0.051 0.000 3.206 3029 C HA 0.724 5.184 4.460 0.000 0.000 0.206 3029 C C 0.501 175.477 174.990 -0.024 0.000 1.836 3029 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 3029 C CB -0.604 27.108 27.740 -0.047 0.000 2.405 3029 C HN 0.424 nan 8.230 nan 0.000 0.516 3030 A N 0.057 122.882 122.820 0.007 0.000 3.963 3030 A HA 0.966 5.286 4.320 0.000 0.000 0.283 3030 A C 0.048 177.675 177.584 0.071 0.000 1.085 3030 A CA 0.332 52.401 52.037 0.053 0.000 0.591 3030 A CB -0.170 18.887 19.000 0.095 0.000 1.632 3030 A HN 2.013 nan 8.150 nan 0.000 0.761 3031 G N -2.005 106.855 108.800 0.100 0.000 2.787 3031 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 3031 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 3031 G C -0.699 174.233 174.900 0.054 0.000 1.437 3031 G CA -0.016 45.128 45.100 0.073 0.000 0.872 3031 G HN 2.092 nan 8.290 nan 0.000 0.566 3032 L N 1.031 122.279 121.223 0.042 0.000 2.276 3032 L HA 0.601 4.941 4.340 0.000 0.000 0.286 3032 L C 0.592 177.494 176.870 0.054 0.000 1.061 3032 L CA -0.667 54.193 54.840 0.034 0.000 0.807 3032 L CB 1.272 43.337 42.059 0.011 0.000 1.177 3032 L HN 0.698 nan 8.230 nan 0.000 0.429 3033 N N 4.233 122.973 118.700 0.066 0.000 2.699 3033 N HA 0.109 4.849 4.740 0.000 0.000 0.232 3033 N C 0.925 176.484 175.510 0.082 0.000 1.027 3033 N CA -0.127 52.994 53.050 0.119 0.000 0.920 3033 N CB 1.136 39.700 38.487 0.128 0.000 1.148 3033 N HN 0.703 nan 8.380 nan 0.000 0.509 3034 V N 1.617 121.534 119.914 0.007 0.000 2.913 3034 V HA -0.075 4.045 4.120 0.000 0.000 0.260 3034 V C 1.514 177.523 176.094 -0.140 0.000 1.098 3034 V CA 1.014 63.248 62.300 -0.110 0.000 1.121 3034 V CB -1.132 30.560 31.823 -0.220 0.000 0.714 3034 V HN 0.408 nan 8.190 nan 0.000 0.487 3035 F N 2.695 122.645 119.950 -0.001 0.000 2.134 3035 F HA -0.096 4.431 4.527 0.000 0.000 0.299 3035 F C 2.772 178.572 175.800 -0.001 0.000 1.097 3035 F CA 2.152 60.152 58.000 -0.001 0.000 1.264 3035 F CB -0.654 38.345 39.000 -0.001 0.000 1.001 3035 F HN 0.385 nan 8.300 nan 0.000 0.479 3036 T N -3.697 110.966 114.554 0.181 0.000 3.044 3036 T HA 0.373 4.723 4.350 0.000 0.000 0.250 3036 T C 1.497 176.228 174.700 0.051 0.000 1.081 3036 T CA 0.417 62.574 62.100 0.095 0.000 1.040 3036 T CB 0.179 69.094 68.868 0.077 0.000 0.962 3036 T HN 0.427 nan 8.240 nan 0.000 0.506 3037 G N 0.959 109.782 108.800 0.037 0.000 2.248 3037 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 3037 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 3037 G C 0.054 174.961 174.900 0.012 0.000 1.082 3037 G CA -0.227 44.877 45.100 0.007 0.000 0.863 3037 G HN 1.395 nan 8.290 nan 0.000 0.495 3038 A N -1.636 121.198 122.820 0.023 0.000 2.612 3038 A HA 0.891 5.211 4.320 0.000 0.000 0.293 3038 A C 0.040 177.641 177.584 0.029 0.000 1.075 3038 A CA 0.121 52.171 52.037 0.022 0.000 0.680 3038 A CB 1.533 20.546 19.000 0.023 0.000 1.279 3038 A HN 1.804 nan 8.150 nan 0.000 0.411 3039 V N 1.674 121.603 119.914 0.025 0.000 2.673 3039 V HA 0.434 4.554 4.120 0.000 0.000 0.303 3039 V C -0.044 176.070 176.094 0.032 0.000 1.046 3039 V CA 0.952 63.270 62.300 0.030 0.000 1.126 3039 V CB 0.457 32.297 31.823 0.029 0.000 0.934 3039 V HN 0.918 nan 8.190 nan 0.000 0.487 3040 E N 3.867 124.090 120.200 0.038 0.000 2.390 3040 E HA 0.383 4.733 4.350 0.000 0.000 0.242 3040 E C -1.478 175.141 176.600 0.031 0.000 0.907 3040 E CA -0.668 55.752 56.400 0.033 0.000 0.884 3040 E CB 0.844 30.568 29.700 0.040 0.000 1.788 3040 E HN 0.719 nan 8.360 nan 0.000 0.427 3041 D N 1.313 121.727 120.400 0.024 0.000 2.460 3041 D HA 0.186 4.826 4.640 0.000 0.000 0.232 3041 D C 0.799 177.111 176.300 0.020 0.000 1.079 3041 D CA -0.278 53.732 54.000 0.017 0.000 0.864 3041 D CB 0.676 41.480 40.800 0.006 0.000 1.048 3041 D HN 0.185 nan 8.370 nan 0.000 0.523 3042 M N 1.828 121.445 119.600 0.029 0.000 2.132 3042 M HA -0.120 4.360 4.480 0.000 0.000 0.263 3042 M C 2.339 178.650 176.300 0.017 0.000 1.065 3042 M CA 0.696 56.014 55.300 0.031 0.000 1.122 3042 M CB -1.200 31.425 32.600 0.043 0.000 1.365 3042 M HN 0.554 nan 8.290 nan 0.000 0.411 3043 C N 0.768 120.075 119.300 0.013 0.000 2.436 3043 C HA -0.187 4.273 4.460 0.000 0.000 0.277 3043 C C 2.686 177.675 174.990 -0.001 0.000 1.241 3043 C CA 1.692 60.713 59.018 0.005 0.000 1.721 3043 C CB -0.863 26.877 27.740 0.001 0.000 2.043 3043 C HN 0.582 nan 8.230 nan 0.000 0.472 3044 E N 1.067 121.266 120.200 -0.002 0.000 2.150 3044 E HA -0.108 4.242 4.350 0.000 0.000 0.193 3044 E C 1.658 178.252 176.600 -0.009 0.000 0.985 3044 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 3044 E CB -0.468 29.229 29.700 -0.005 0.000 0.752 3044 E HN 0.645 nan 8.360 nan 0.000 0.466 3045 N N -0.228 118.468 118.700 -0.007 0.000 2.521 3045 N HA 0.035 4.775 4.740 0.000 0.000 0.188 3045 N C 0.660 176.154 175.510 -0.026 0.000 1.146 3045 N CA 0.962 54.002 53.050 -0.017 0.000 0.893 3045 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 3045 N HN 0.306 nan 8.380 nan 0.000 0.451 3046 G N -0.133 108.657 108.800 -0.018 0.000 2.153 3046 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 3046 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 3046 G C -0.089 174.801 174.900 -0.017 0.000 0.994 3046 G CA 0.201 45.289 45.100 -0.019 0.000 0.698 3046 G HN 0.202 nan 8.290 nan 0.000 0.521 3047 V N 1.439 121.349 119.914 -0.006 0.000 2.267 3047 V HA 0.514 4.634 4.120 0.000 0.000 0.254 3047 V C 0.750 176.854 176.094 0.016 0.000 1.144 3047 V CA 0.077 62.382 62.300 0.008 0.000 0.992 3047 V CB 0.548 32.389 31.823 0.029 0.000 1.199 3047 V HN 1.035 nan 8.190 nan 0.000 0.493 3048 V N 1.792 121.712 119.914 0.011 0.000 3.007 3048 V HA 0.911 5.031 4.120 0.000 0.000 0.311 3048 V C -0.697 175.404 176.094 0.012 0.000 1.120 3048 V CA -0.743 61.564 62.300 0.012 0.000 0.980 3048 V CB 2.510 34.337 31.823 0.007 0.000 1.033 3048 V HN 0.688 nan 8.190 nan 0.000 0.429 3049 E N 1.719 121.926 120.200 0.012 0.000 2.393 3049 E HA 0.646 4.996 4.350 0.000 0.000 0.273 3049 E C -3.273 173.332 176.600 0.008 0.000 0.918 3049 E CA -2.369 54.038 56.400 0.011 0.000 0.773 3049 E CB 2.050 31.758 29.700 0.013 0.000 1.275 3049 E HN 0.457 nan 8.360 nan 0.000 0.451 3050 P HA -0.020 nan 4.420 nan 0.000 0.266 3050 P C 0.805 178.108 177.300 0.005 0.000 1.195 3050 P CA -0.257 62.845 63.100 0.005 0.000 0.768 3050 P CB 0.452 32.154 31.700 0.003 0.000 0.838 3051 L N 4.446 125.672 121.223 0.005 0.000 2.046 3051 L HA -0.135 4.205 4.340 0.000 0.000 0.208 3051 L C 2.401 179.274 176.870 0.005 0.000 1.077 3051 L CA 1.791 56.634 54.840 0.005 0.000 0.747 3051 L CB -0.847 41.214 42.059 0.004 0.000 0.896 3051 L HN 0.294 nan 8.230 nan 0.000 0.432 3052 R N -0.970 119.532 120.500 0.004 0.000 2.117 3052 R HA -0.177 4.163 4.340 0.000 0.000 0.243 3052 R C 2.025 178.328 176.300 0.004 0.000 1.143 3052 R CA 1.988 58.090 56.100 0.003 0.000 0.968 3052 R CB -0.399 29.903 30.300 0.003 0.000 0.863 3052 R HN 0.378 nan 8.270 nan 0.000 0.444 3053 V N 1.286 121.202 119.914 0.004 0.000 2.332 3053 V HA -0.254 3.866 4.120 0.000 0.000 0.248 3053 V C 2.284 178.380 176.094 0.002 0.000 1.055 3053 V CA 1.850 64.152 62.300 0.003 0.000 1.038 3053 V CB -0.347 31.478 31.823 0.003 0.000 0.651 3053 V HN 0.309 nan 8.190 nan 0.000 0.450 3054 K N 0.230 120.632 120.400 0.003 0.000 2.186 3054 K HA -0.034 4.286 4.320 0.000 0.000 0.202 3054 K C 2.262 178.866 176.600 0.007 0.000 1.052 3054 K CA 1.651 57.940 56.287 0.003 0.000 0.965 3054 K CB -0.672 31.830 32.500 0.005 0.000 0.746 3054 K HN 0.718 nan 8.250 nan 0.000 0.457 3055 T N -1.214 113.345 114.554 0.008 0.000 2.978 3055 T HA -0.082 4.268 4.350 0.000 0.000 0.262 3055 T C 2.015 176.723 174.700 0.012 0.000 1.063 3055 T CA 0.696 62.802 62.100 0.010 0.000 1.140 3055 T CB 0.038 68.910 68.868 0.007 0.000 0.886 3055 T HN -0.047 nan 8.240 nan 0.000 0.470 3056 Q N 1.826 121.631 119.800 0.009 0.000 2.123 3056 Q HA 0.261 4.601 4.340 0.000 0.000 0.199 3056 Q C 2.408 178.414 176.000 0.011 0.000 0.966 3056 Q CA 1.606 57.415 55.803 0.009 0.000 0.845 3056 Q CB -0.923 27.818 28.738 0.006 0.000 0.907 3056 Q HN 0.623 nan 8.270 nan 0.000 0.439 3057 A N 0.573 123.397 122.820 0.007 0.000 1.883 3057 A HA -0.174 4.147 4.320 0.000 0.000 0.217 3057 A C 1.952 179.543 177.584 0.011 0.000 1.186 3057 A CA 1.588 53.627 52.037 0.002 0.000 0.624 3057 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 3057 A HN 0.451 nan 8.150 nan 0.000 0.444 3058 I N -0.134 120.451 120.570 0.025 0.000 2.179 3058 I HA -0.263 3.907 4.170 0.000 0.000 0.242 3058 I C 2.660 178.819 176.117 0.069 0.000 1.088 3058 I CA 1.660 62.997 61.300 0.063 0.000 1.357 3058 I CB -1.633 36.413 38.000 0.077 0.000 1.051 3058 I HN 0.493 nan 8.210 nan 0.000 0.409 3059 Q N 0.201 120.027 119.800 0.043 0.000 1.993 3059 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 3059 Q C 2.464 178.488 176.000 0.040 0.000 0.984 3059 Q CA 2.200 58.026 55.803 0.037 0.000 0.837 3059 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 3059 Q HN 0.376 nan 8.270 nan 0.000 0.423 3060 S N 0.502 116.220 115.700 0.030 0.000 2.383 3060 S HA -0.130 4.340 4.470 0.000 0.000 0.227 3060 S C 1.985 176.603 174.600 0.031 0.000 1.026 3060 S CA 0.926 59.142 58.200 0.027 0.000 0.981 3060 S CB -0.261 62.949 63.200 0.017 0.000 0.818 3060 S HN 0.477 nan 8.310 nan 0.000 0.472 3061 A N 1.630 124.467 122.820 0.028 0.000 1.873 3061 A HA 0.156 4.476 4.320 0.000 0.000 0.215 3061 A C 2.363 179.978 177.584 0.051 0.000 1.186 3061 A CA 1.647 53.697 52.037 0.022 0.000 0.616 3061 A CB -1.134 17.862 19.000 -0.007 0.000 0.823 3061 A HN 0.505 nan 8.150 nan 0.000 0.442 3062 A N -0.527 122.347 122.820 0.090 0.000 1.898 3062 A HA -0.119 4.201 4.320 0.000 0.000 0.216 3062 A C 1.943 179.602 177.584 0.125 0.000 1.181 3062 A CA 1.674 53.800 52.037 0.150 0.000 0.620 3062 A CB -0.369 18.747 19.000 0.195 0.000 0.819 3062 A HN 0.453 nan 8.150 nan 0.000 0.442 3063 E N 0.135 120.386 120.200 0.085 0.000 2.107 3063 E HA -0.056 4.295 4.350 0.000 0.000 0.191 3063 E C 2.242 178.881 176.600 0.065 0.000 0.982 3063 E CA 1.242 57.684 56.400 0.070 0.000 0.809 3063 E CB -0.421 29.308 29.700 0.049 0.000 0.756 3063 E HN 0.538 nan 8.360 nan 0.000 0.459 3064 S N 0.427 116.161 115.700 0.057 0.000 2.406 3064 S HA -0.055 4.415 4.470 0.000 0.000 0.228 3064 S C 2.039 176.675 174.600 0.060 0.000 1.020 3064 S CA 1.066 59.296 58.200 0.049 0.000 0.965 3064 S CB -0.109 63.113 63.200 0.036 0.000 0.798 3064 S HN 0.255 nan 8.310 nan 0.000 0.488 3065 T N 1.848 116.449 114.554 0.078 0.000 2.777 3065 T HA -0.085 4.265 4.350 0.000 0.000 0.266 3065 T C 1.847 176.624 174.700 0.128 0.000 1.040 3065 T CA 1.045 63.207 62.100 0.103 0.000 1.141 3065 T CB -0.253 68.694 68.868 0.130 0.000 0.868 3065 T HN 0.356 nan 8.240 nan 0.000 0.444 3066 E N 0.965 121.248 120.200 0.138 0.000 2.118 3066 E HA -0.155 4.195 4.350 0.000 0.000 0.195 3066 E C 2.167 178.812 176.600 0.074 0.000 0.992 3066 E CA 0.870 57.339 56.400 0.115 0.000 0.804 3066 E CB -0.268 29.496 29.700 0.107 0.000 0.741 3066 E HN 0.331 nan 8.360 nan 0.000 0.458 3067 M N 0.936 120.575 119.600 0.065 0.000 2.067 3067 M HA -0.164 4.316 4.480 0.000 0.000 0.260 3067 M C 2.495 178.824 176.300 0.049 0.000 1.069 3067 M CA 1.145 56.475 55.300 0.051 0.000 1.117 3067 M CB -0.861 31.766 32.600 0.046 0.000 1.334 3067 M HN 0.276 nan 8.290 nan 0.000 0.407 3068 L N 0.674 121.929 121.223 0.052 0.000 2.013 3068 L HA -0.264 4.076 4.340 0.000 0.000 0.212 3068 L C 2.284 179.180 176.870 0.043 0.000 1.073 3068 L CA 1.461 56.329 54.840 0.048 0.000 0.753 3068 L CB -0.393 41.692 42.059 0.044 0.000 0.890 3068 L HN 0.355 nan 8.230 nan 0.000 0.432 3069 L N -0.643 120.609 121.223 0.049 0.000 2.201 3069 L HA -0.190 4.150 4.340 0.000 0.000 0.212 3069 L C 2.720 179.603 176.870 0.021 0.000 1.105 3069 L CA 0.911 55.771 54.840 0.033 0.000 0.775 3069 L CB -0.523 41.561 42.059 0.042 0.000 0.913 3069 L HN 0.314 nan 8.230 nan 0.000 0.440 3070 R N 0.191 120.710 120.500 0.031 0.000 2.193 3070 R HA -0.017 4.323 4.340 0.000 0.000 0.213 3070 R C 0.629 176.946 176.300 0.028 0.000 1.055 3070 R CA 0.277 56.394 56.100 0.029 0.000 0.995 3070 R CB 0.305 30.625 30.300 0.034 0.000 0.893 3070 R HN 0.104 nan 8.270 nan 0.000 0.459 3071 I N 3.086 123.675 120.570 0.033 0.000 2.471 3071 I HA -0.022 4.148 4.170 0.000 0.000 0.286 3071 I C 0.189 176.327 176.117 0.035 0.000 1.079 3071 I CA 0.310 61.632 61.300 0.037 0.000 1.398 3071 I CB 1.122 39.150 38.000 0.047 0.000 1.403 3071 I HN 0.219 nan 8.210 nan 0.000 0.530 3072 D N 2.694 123.115 120.400 0.034 0.000 2.540 3072 D HA 0.152 4.792 4.640 0.000 0.000 0.229 3072 D C -0.207 176.120 176.300 0.045 0.000 1.250 3072 D CA -0.137 53.882 54.000 0.033 0.000 0.817 3072 D CB 0.461 41.272 40.800 0.018 0.000 1.060 3072 D HN 0.360 nan 8.370 nan 0.000 0.508 3073 D N 0.209 120.640 120.400 0.050 0.000 2.738 3073 D HA 0.265 4.905 4.640 0.000 0.000 0.218 3073 D C -1.647 174.685 176.300 0.054 0.000 1.345 3073 D CA -0.440 53.590 54.000 0.051 0.000 0.943 3073 D CB 1.999 42.817 40.800 0.031 0.000 1.514 3073 D HN -0.163 nan 8.370 nan 0.000 0.585 3074 V N 4.354 124.313 119.914 0.075 0.000 2.444 3074 V HA 0.554 4.674 4.120 0.000 0.000 0.294 3074 V C -0.135 175.975 176.094 0.026 0.000 1.022 3074 V CA -0.666 61.673 62.300 0.065 0.000 0.850 3074 V CB 1.543 33.431 31.823 0.108 0.000 0.992 3074 V HN 0.416 nan 8.190 nan 0.000 0.426 3075 I N 4.218 124.785 120.570 -0.005 0.000 2.382 3075 I HA 0.681 4.851 4.170 0.000 0.000 0.285 3075 I C 0.368 176.461 176.117 -0.040 0.000 1.007 3075 I CA -0.249 61.029 61.300 -0.037 0.000 1.142 3075 I CB 1.835 39.816 38.000 -0.031 0.000 1.289 3075 I HN 0.645 nan 8.210 nan 0.000 0.453 3076 A N 5.395 128.179 122.820 -0.061 0.000 2.394 3076 A HA 0.862 5.182 4.320 0.000 0.000 0.333 3076 A C 0.342 177.896 177.584 -0.049 0.000 1.397 3076 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 3076 A CB 0.223 19.182 19.000 -0.067 0.000 1.147 3076 A HN 0.752 nan 8.150 nan 0.000 0.505 3077 A N 2.010 124.809 122.820 -0.035 0.000 2.425 3077 A HA 0.502 4.822 4.320 0.000 0.000 0.242 3077 A C 0.584 178.155 177.584 -0.022 0.000 1.077 3077 A CA -0.068 51.952 52.037 -0.029 0.000 0.781 3077 A CB 0.116 19.103 19.000 -0.021 0.000 1.020 3077 A HN 0.860 nan 8.150 nan 0.000 0.494 3078 E N 0.000 120.188 120.200 -0.020 0.000 2.725 3078 E HA 0.000 4.350 4.350 0.000 0.000 0.291 3078 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 3078 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 3078 E HN 0.000 nan 8.360 nan 0.000 0.440