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 2w6h_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.284 176.300 -0.027 0.000 2.045 24 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 24 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 25 L N 2.666 123.866 121.223 -0.038 0.000 2.653 25 L HA 0.216 4.567 4.340 0.019 0.000 0.231 25 L C 1.579 178.402 176.870 -0.078 0.000 1.153 25 L CA 0.048 54.842 54.840 -0.076 0.000 0.933 25 L CB 0.312 42.309 42.059 -0.104 0.000 1.175 25 L HN 0.330 nan 8.230 nan 0.000 0.473 26 E N 0.211 120.380 120.200 -0.052 0.000 2.166 26 E HA -0.006 4.355 4.350 0.019 0.000 0.192 26 E C 1.035 177.608 176.600 -0.045 0.000 0.967 26 E CA 0.722 57.095 56.400 -0.046 0.000 0.840 26 E CB 0.543 30.223 29.700 -0.032 0.000 0.795 26 E HN 0.401 nan 8.360 nan 0.000 0.470 27 E N 0.419 120.594 120.200 -0.042 0.000 2.562 27 E HA 0.169 4.530 4.350 0.019 0.000 0.214 27 E C 0.073 176.643 176.600 -0.050 0.000 0.979 27 E CA 0.184 56.559 56.400 -0.042 0.000 1.002 27 E CB 1.453 31.134 29.700 -0.032 0.000 1.048 27 E HN -0.010 nan 8.360 nan 0.000 0.488 28 T N -0.260 114.263 114.554 -0.053 0.000 2.887 28 T HA 0.725 5.086 4.350 0.019 0.000 0.292 28 T C -0.160 174.502 174.700 -0.063 0.000 1.087 28 T CA -0.679 61.388 62.100 -0.054 0.000 1.009 28 T CB 2.282 71.129 68.868 -0.035 0.000 1.203 28 T HN 0.109 nan 8.240 nan 0.000 0.518 29 G N 0.414 109.183 108.800 -0.051 0.000 2.718 29 G HA2 0.637 4.608 3.960 0.019 0.000 0.295 29 G HA3 0.637 4.608 3.960 0.019 0.000 0.295 29 G C -1.733 173.179 174.900 0.020 0.000 1.421 29 G CA -0.828 44.251 45.100 -0.034 0.000 0.902 29 G HN 0.542 nan 8.290 nan 0.000 0.501 30 R N 0.526 121.070 120.500 0.074 0.000 2.445 30 R HA 0.489 4.840 4.340 0.019 0.000 0.308 30 R C -0.320 176.052 176.300 0.120 0.000 0.961 30 R CA -0.729 55.428 56.100 0.095 0.000 0.862 30 R CB 2.428 32.786 30.300 0.097 0.000 1.144 30 R HN 0.340 nan 8.270 nan 0.000 0.447 31 V N 5.118 125.105 119.914 0.122 0.000 2.599 31 V HA -0.066 4.065 4.120 0.019 0.000 0.300 31 V C 1.623 177.771 176.094 0.089 0.000 1.034 31 V CA 0.570 62.946 62.300 0.127 0.000 1.115 31 V CB 0.504 32.408 31.823 0.136 0.000 0.934 31 V HN 0.742 nan 8.190 nan 0.000 0.485 32 L N 3.630 124.902 121.223 0.082 0.000 2.298 32 L HA 0.179 4.530 4.340 0.019 0.000 0.209 32 L C 0.749 177.636 176.870 0.028 0.000 1.084 32 L CA 0.862 55.730 54.840 0.047 0.000 0.816 32 L CB 0.251 42.336 42.059 0.044 0.000 0.967 32 L HN 0.877 nan 8.230 nan 0.000 0.460 33 S N -0.850 114.869 115.700 0.032 0.000 2.579 33 S HA 0.472 4.953 4.470 0.019 0.000 0.290 33 S C -1.225 173.378 174.600 0.005 0.000 1.123 33 S CA -0.872 57.336 58.200 0.013 0.000 0.894 33 S CB 1.767 64.971 63.200 0.006 0.000 1.095 33 S HN -0.017 nan 8.310 nan 0.000 0.450 34 I N 1.615 122.176 120.570 -0.014 0.000 2.530 34 I HA 0.974 5.155 4.170 0.019 0.000 0.297 34 I C -0.023 176.071 176.117 -0.038 0.000 1.011 34 I CA 0.135 61.411 61.300 -0.040 0.000 1.107 34 I CB 1.575 39.530 38.000 -0.074 0.000 1.285 34 I HN 1.433 nan 8.210 nan 0.000 0.436 35 G N 4.858 113.631 108.800 -0.045 0.000 2.380 35 G HA2 0.314 4.285 3.960 0.019 0.000 0.305 35 G HA3 0.314 4.285 3.960 0.019 0.000 0.305 35 G C -1.130 173.746 174.900 -0.040 0.000 1.672 35 G CA -0.549 44.528 45.100 -0.038 0.000 0.904 35 G HN 0.719 nan 8.290 nan 0.000 0.686 36 D N 0.126 120.503 120.400 -0.039 0.000 2.772 36 D HA -0.179 4.472 4.640 0.019 0.000 0.233 36 D C 1.630 177.901 176.300 -0.047 0.000 1.143 36 D CA 2.640 56.617 54.000 -0.039 0.000 0.700 36 D CB -1.079 39.699 40.800 -0.037 0.000 1.076 36 D HN 2.292 nan 8.370 nan 0.000 0.430 37 G N -0.284 108.481 108.800 -0.057 0.000 2.296 37 G HA2 -0.305 3.666 3.960 0.019 0.000 0.282 37 G HA3 -0.305 3.666 3.960 0.019 0.000 0.282 37 G C 0.286 175.139 174.900 -0.079 0.000 1.014 37 G CA 0.479 45.535 45.100 -0.073 0.000 0.812 37 G HN 0.534 nan 8.290 nan 0.000 0.508 38 I N 0.656 121.188 120.570 -0.063 0.000 2.439 38 I HA 0.579 4.760 4.170 0.019 0.000 0.283 38 I C 0.444 176.543 176.117 -0.031 0.000 1.023 38 I CA -0.739 60.533 61.300 -0.046 0.000 1.100 38 I CB 1.448 39.428 38.000 -0.034 0.000 1.238 38 I HN 0.260 nan 8.210 nan 0.000 0.445 39 A N 8.036 130.851 122.820 -0.010 0.000 2.290 39 A HA 0.665 4.996 4.320 0.019 0.000 0.310 39 A C -0.050 177.575 177.584 0.069 0.000 1.202 39 A CA -0.659 51.394 52.037 0.026 0.000 0.837 39 A CB 0.619 19.647 19.000 0.047 0.000 1.139 39 A HN 0.567 nan 8.150 nan 0.000 0.509 40 R N 2.577 123.113 120.500 0.059 0.000 2.233 40 R HA 0.359 4.710 4.340 0.019 0.000 0.334 40 R C -0.813 175.541 176.300 0.091 0.000 1.037 40 R CA -0.290 55.849 56.100 0.064 0.000 0.920 40 R CB 0.660 30.985 30.300 0.042 0.000 1.137 40 R HN 0.480 nan 8.270 nan 0.000 0.492 41 V N 2.762 122.737 119.914 0.103 0.000 2.686 41 V HA 0.126 4.257 4.120 0.019 0.000 0.295 41 V C 0.175 176.340 176.094 0.118 0.000 1.057 41 V CA -0.687 61.679 62.300 0.110 0.000 1.012 41 V CB 1.263 33.133 31.823 0.079 0.000 1.006 41 V HN 0.616 nan 8.190 nan 0.000 0.477 42 H N 1.876 120.961 119.070 0.025 0.000 2.476 42 H HA 0.682 5.248 4.556 0.017 0.000 0.328 42 H C 0.257 175.590 175.328 0.008 0.000 1.073 42 H CA 0.750 56.807 56.048 0.015 0.000 1.229 42 H CB 0.953 30.724 29.762 0.015 0.000 1.432 42 H HN 1.033 nan 8.280 nan 0.000 0.477 43 G N 3.095 111.558 108.800 -0.561 0.000 2.443 43 G HA2 -0.171 3.800 3.960 0.019 0.000 0.209 43 G HA3 -0.171 3.800 3.960 0.019 0.000 0.209 43 G C -0.236 174.555 174.900 -0.182 0.000 1.176 43 G CA -0.465 44.396 45.100 -0.399 0.000 1.074 43 G HN 1.206 nan 8.290 nan 0.000 0.577 44 L N -0.525 120.624 121.223 -0.125 0.000 3.678 44 L HA -0.225 4.126 4.340 0.019 0.000 0.425 44 L C 2.017 178.844 176.870 -0.072 0.000 1.240 44 L CA 1.069 55.859 54.840 -0.084 0.000 0.876 44 L CB -0.787 41.230 42.059 -0.072 0.000 1.766 44 L HN 0.680 nan 8.230 nan 0.000 0.917 45 R N -0.505 119.947 120.500 -0.079 0.000 2.293 45 R HA -0.095 4.256 4.340 0.019 0.000 0.219 45 R C 1.429 177.705 176.300 -0.039 0.000 1.091 45 R CA 1.291 57.356 56.100 -0.059 0.000 1.004 45 R CB -0.159 30.108 30.300 -0.056 0.000 0.865 45 R HN 0.464 nan 8.270 nan 0.000 0.469 46 N N -0.319 118.359 118.700 -0.038 0.000 2.205 46 N HA 0.029 4.780 4.740 0.019 0.000 0.201 46 N C -0.283 175.213 175.510 -0.024 0.000 1.128 46 N CA 0.058 53.092 53.050 -0.027 0.000 0.867 46 N CB 0.639 39.111 38.487 -0.026 0.000 0.996 46 N HN -0.054 nan 8.380 nan 0.000 0.503 47 V N 0.352 120.249 119.914 -0.028 0.000 2.901 47 V HA 0.033 4.164 4.120 0.019 0.000 0.307 47 V C 0.597 176.685 176.094 -0.010 0.000 1.084 47 V CA -0.355 61.932 62.300 -0.021 0.000 1.184 47 V CB 0.223 32.032 31.823 -0.022 0.000 0.941 47 V HN 0.095 nan 8.190 nan 0.000 0.493 48 Q N 1.706 121.503 119.800 -0.004 0.000 2.193 48 Q HA 0.704 5.055 4.340 0.019 0.000 0.246 48 Q C 0.096 176.102 176.000 0.009 0.000 0.959 48 Q CA -0.516 55.288 55.803 0.002 0.000 0.904 48 Q CB 1.411 30.151 28.738 0.003 0.000 1.238 48 Q HN 1.070 nan 8.270 nan 0.000 0.469 49 A N 1.266 124.094 122.820 0.013 0.000 2.450 49 A HA 0.159 4.490 4.320 0.019 0.000 0.255 49 A C -0.124 177.477 177.584 0.028 0.000 1.096 49 A CA 0.112 52.162 52.037 0.021 0.000 0.778 49 A CB -0.224 18.790 19.000 0.022 0.000 1.031 49 A HN 0.917 nan 8.150 nan 0.000 0.494 50 E N -0.559 119.665 120.200 0.040 0.000 3.303 50 E HA -0.176 4.185 4.350 0.019 0.000 0.302 50 E C 0.085 176.720 176.600 0.057 0.000 0.902 50 E CA 1.137 57.570 56.400 0.056 0.000 1.042 50 E CB -1.344 28.384 29.700 0.046 0.000 1.528 50 E HN 0.913 nan 8.360 nan 0.000 0.424 51 E N 0.492 120.719 120.200 0.045 0.000 2.313 51 E HA 0.270 4.631 4.350 0.019 0.000 0.272 51 E C 0.101 176.736 176.600 0.059 0.000 1.038 51 E CA -0.619 55.803 56.400 0.037 0.000 0.863 51 E CB 0.738 30.446 29.700 0.014 0.000 1.060 51 E HN -0.038 nan 8.360 nan 0.000 0.402 52 M N 3.623 123.260 119.600 0.061 0.000 2.228 52 M HA 0.131 4.622 4.480 0.019 0.000 0.351 52 M C -0.201 176.117 176.300 0.030 0.000 1.233 52 M CA -0.077 55.276 55.300 0.088 0.000 1.129 52 M CB 0.760 33.397 32.600 0.061 0.000 1.604 52 M HN 0.500 nan 8.290 nan 0.000 0.457 53 V N 1.483 121.400 119.914 0.007 0.000 3.155 53 V HA 0.707 4.838 4.120 0.019 0.000 0.313 53 V C -0.724 175.267 176.094 -0.172 0.000 1.162 53 V CA -0.861 61.370 62.300 -0.115 0.000 1.048 53 V CB 2.517 34.226 31.823 -0.191 0.000 1.092 53 V HN 0.816 nan 8.190 nan 0.000 0.447 54 E N 0.618 120.662 120.200 -0.261 0.000 2.248 54 E HA 0.543 4.904 4.350 0.019 0.000 0.267 54 E C -1.866 174.525 176.600 -0.349 0.000 0.877 54 E CA -0.412 55.869 56.400 -0.199 0.000 0.759 54 E CB 2.531 32.193 29.700 -0.063 0.000 1.182 54 E HN 0.629 nan 8.360 nan 0.000 0.418 55 F N 0.598 120.571 119.950 0.039 0.000 2.377 55 F HA 0.114 4.653 4.527 0.020 0.000 0.328 55 F C 1.867 177.683 175.800 0.027 0.000 1.094 55 F CA -0.191 57.828 58.000 0.031 0.000 1.093 55 F CB 1.369 40.388 39.000 0.032 0.000 1.214 55 F HN 0.433 nan 8.300 nan 0.000 0.518 56 S N 0.432 116.250 115.700 0.197 0.000 2.409 56 S HA -0.238 4.243 4.470 0.019 0.000 0.237 56 S C 1.667 176.333 174.600 0.110 0.000 1.060 56 S CA 1.954 60.224 58.200 0.116 0.000 1.052 56 S CB -0.543 62.718 63.200 0.100 0.000 0.871 56 S HN 0.690 nan 8.310 nan 0.000 0.465 57 S N 0.374 116.158 115.700 0.139 0.000 2.743 57 S HA 0.429 4.910 4.470 0.019 0.000 0.230 57 S C 1.256 175.921 174.600 0.109 0.000 0.950 57 S CA 0.320 58.581 58.200 0.102 0.000 0.976 57 S CB -0.254 62.994 63.200 0.081 0.000 0.779 57 S HN 0.759 nan 8.310 nan 0.000 0.487 58 G N 0.548 109.420 108.800 0.121 0.000 2.233 58 G HA2 -0.259 3.712 3.960 0.019 0.000 0.270 58 G HA3 -0.259 3.712 3.960 0.019 0.000 0.270 58 G C -0.095 174.893 174.900 0.146 0.000 1.011 58 G CA 0.416 45.581 45.100 0.108 0.000 0.762 58 G HN 0.539 nan 8.290 nan 0.000 0.511 59 L N -0.330 121.026 121.223 0.223 0.000 2.421 59 L HA 0.744 5.095 4.340 0.019 0.000 0.263 59 L C 0.597 177.711 176.870 0.406 0.000 1.122 59 L CA -0.351 54.643 54.840 0.257 0.000 0.804 59 L CB 1.071 43.233 42.059 0.172 0.000 1.150 59 L HN 0.199 nan 8.230 nan 0.000 0.457 60 K N 0.306 120.939 120.400 0.387 0.000 2.221 60 K HA 0.826 5.157 4.320 0.019 0.000 0.243 60 K C -0.679 176.269 176.600 0.580 0.000 0.968 60 K CA -0.693 55.852 56.287 0.429 0.000 0.846 60 K CB 1.873 34.562 32.500 0.316 0.000 1.141 60 K HN 0.800 nan 8.250 nan 0.000 0.434 61 G N 0.657 109.751 108.800 0.490 0.000 2.684 61 G HA2 0.517 4.488 3.960 0.019 0.000 0.290 61 G HA3 0.517 4.488 3.960 0.019 0.000 0.290 61 G C -1.821 173.228 174.900 0.248 0.000 1.425 61 G CA -0.779 44.500 45.100 0.298 0.000 0.822 61 G HN 0.526 nan 8.290 nan 0.000 0.482 62 M N 1.108 120.733 119.600 0.042 0.000 2.243 62 M HA 0.573 5.064 4.480 0.019 0.000 0.324 62 M C -0.503 175.833 176.300 0.061 0.000 1.031 62 M CA -0.494 54.892 55.300 0.145 0.000 0.949 62 M CB 1.685 34.421 32.600 0.227 0.000 1.615 62 M HN 0.338 nan 8.290 nan 0.000 0.430 63 S N 4.689 120.425 115.700 0.061 0.000 2.429 63 S HA 0.118 4.599 4.470 0.019 0.000 0.292 63 S C 0.551 175.176 174.600 0.042 0.000 1.183 63 S CA -0.498 57.724 58.200 0.038 0.000 1.088 63 S CB 0.502 63.716 63.200 0.023 0.000 1.018 63 S HN 0.722 nan 8.310 nan 0.000 0.511 64 L N 5.172 126.416 121.223 0.035 0.000 2.187 64 L HA 0.329 4.680 4.340 0.019 0.000 0.197 64 L C 0.102 176.991 176.870 0.031 0.000 1.090 64 L CA 1.431 56.293 54.840 0.037 0.000 0.781 64 L CB -0.176 41.899 42.059 0.025 0.000 0.956 64 L HN 0.472 nan 8.230 nan 0.000 0.463 65 N N -0.110 118.605 118.700 0.024 0.000 2.408 65 N HA 0.472 5.223 4.740 0.019 0.000 0.280 65 N C -1.355 174.167 175.510 0.019 0.000 1.002 65 N CA -0.154 52.908 53.050 0.021 0.000 0.907 65 N CB 1.188 39.685 38.487 0.018 0.000 1.161 65 N HN 0.044 nan 8.380 nan 0.000 0.488 66 L N 2.147 123.381 121.223 0.017 0.000 2.297 66 L HA 0.374 4.726 4.340 0.019 0.000 0.277 66 L C 0.018 176.896 176.870 0.013 0.000 1.040 66 L CA -0.376 54.472 54.840 0.013 0.000 0.867 66 L CB 0.368 42.433 42.059 0.010 0.000 1.244 66 L HN 0.457 nan 8.230 nan 0.000 0.433 67 E N 3.280 123.489 120.200 0.015 0.000 2.222 67 E HA 0.269 4.630 4.350 0.019 0.000 0.272 67 E C -1.621 174.990 176.600 0.018 0.000 0.982 67 E CA -1.864 54.546 56.400 0.017 0.000 0.842 67 E CB 1.488 31.200 29.700 0.020 0.000 1.144 67 E HN 0.249 nan 8.360 nan 0.000 0.397 68 P HA -0.180 nan 4.420 nan 0.000 0.223 68 P C -0.534 176.784 177.300 0.029 0.000 1.140 68 P CA 1.433 64.544 63.100 0.019 0.000 0.783 68 P CB 0.059 31.770 31.700 0.018 0.000 0.759 69 D N -3.401 117.024 120.400 0.041 0.000 2.969 69 D HA 0.149 4.800 4.640 0.019 0.000 0.317 69 D C -0.417 175.947 176.300 0.107 0.000 1.650 69 D CA -0.666 53.378 54.000 0.074 0.000 0.789 69 D CB -1.186 39.659 40.800 0.075 0.000 1.277 69 D HN 0.250 nan 8.370 nan 0.000 0.463 70 N N -1.824 116.916 118.700 0.067 0.000 4.310 70 N HA 0.336 5.087 4.740 0.019 0.000 0.212 70 N C -2.241 173.292 175.510 0.037 0.000 1.277 70 N CA -0.947 52.146 53.050 0.072 0.000 0.854 70 N CB 0.872 39.411 38.487 0.086 0.000 1.480 70 N HN -0.118 nan 8.380 nan 0.000 0.489 71 V N 0.213 120.148 119.914 0.036 0.000 2.409 71 V HA 0.799 4.930 4.120 0.019 0.000 0.291 71 V C 0.684 176.801 176.094 0.038 0.000 1.020 71 V CA -0.367 61.948 62.300 0.026 0.000 0.848 71 V CB 1.258 33.088 31.823 0.011 0.000 0.990 71 V HN 0.906 nan 8.190 nan 0.000 0.430 72 G N 3.884 112.703 108.800 0.031 0.000 2.351 72 G HA2 0.499 4.470 3.960 0.019 0.000 0.287 72 G HA3 0.499 4.470 3.960 0.019 0.000 0.287 72 G C -0.629 174.292 174.900 0.035 0.000 1.159 72 G CA -0.133 44.985 45.100 0.031 0.000 0.929 72 G HN 0.514 nan 8.290 nan 0.000 0.435 73 V N 3.111 123.059 119.914 0.058 0.000 2.581 73 V HA 0.306 4.437 4.120 0.019 0.000 0.303 73 V C 0.056 176.163 176.094 0.021 0.000 1.041 73 V CA -0.683 61.660 62.300 0.072 0.000 0.907 73 V CB 2.070 34.002 31.823 0.182 0.000 0.994 73 V HN 0.478 nan 8.190 nan 0.000 0.442 74 V N 5.552 125.429 119.914 -0.062 0.000 2.348 74 V HA 0.245 4.376 4.120 0.019 0.000 0.270 74 V C 0.099 175.991 176.094 -0.337 0.000 1.037 74 V CA -0.430 61.756 62.300 -0.189 0.000 0.872 74 V CB 1.525 33.212 31.823 -0.227 0.000 1.002 74 V HN 0.617 nan 8.190 nan 0.000 0.464 75 V N 6.444 126.219 119.914 -0.233 0.000 2.470 75 V HA 0.172 4.303 4.120 0.019 0.000 0.276 75 V C 0.360 176.330 176.094 -0.207 0.000 1.040 75 V CA -0.011 62.168 62.300 -0.202 0.000 1.008 75 V CB 0.479 32.155 31.823 -0.246 0.000 0.990 75 V HN 0.717 nan 8.190 nan 0.000 0.477 76 F N 4.519 124.528 119.950 0.099 0.000 2.783 76 F HA 0.572 5.105 4.527 0.010 0.000 0.338 76 F C 1.140 176.975 175.800 0.058 0.000 1.178 76 F CA 0.238 58.292 58.000 0.089 0.000 1.343 76 F CB -0.102 38.957 39.000 0.099 0.000 1.496 76 F HN 0.682 nan 8.300 nan 0.000 0.583 77 G N -0.265 108.619 108.800 0.140 0.000 2.315 77 G HA2 0.027 3.998 3.960 0.019 0.000 0.294 77 G HA3 0.027 3.998 3.960 0.019 0.000 0.294 77 G C -1.473 173.439 174.900 0.020 0.000 1.300 77 G CA -1.238 43.915 45.100 0.088 0.000 0.843 77 G HN -0.038 nan 8.290 nan 0.000 0.527 78 N N 1.122 119.829 118.700 0.011 0.000 2.411 78 N HA 0.038 4.789 4.740 0.019 0.000 0.261 78 N C 0.826 176.303 175.510 -0.055 0.000 1.248 78 N CA 0.532 53.573 53.050 -0.014 0.000 0.885 78 N CB 0.751 39.236 38.487 -0.004 0.000 1.062 78 N HN 0.533 nan 8.380 nan 0.000 0.471 79 D N 2.831 123.188 120.400 -0.071 0.000 2.319 79 D HA -0.087 4.564 4.640 0.019 0.000 0.230 79 D C 1.097 177.344 176.300 -0.088 0.000 1.094 79 D CA 0.118 54.049 54.000 -0.115 0.000 0.856 79 D CB 0.061 40.788 40.800 -0.120 0.000 0.915 79 D HN 0.717 nan 8.370 nan 0.000 0.517 80 K N 1.082 121.448 120.400 -0.057 0.000 2.103 80 K HA -0.067 4.264 4.320 0.019 0.000 0.204 80 K C 2.099 178.673 176.600 -0.043 0.000 1.052 80 K CA 0.489 56.751 56.287 -0.041 0.000 0.945 80 K CB -0.453 32.033 32.500 -0.023 0.000 0.722 80 K HN 0.106 nan 8.250 nan 0.000 0.443 81 L N 1.212 122.405 121.223 -0.049 0.000 2.353 81 L HA 0.047 4.398 4.340 0.019 0.000 0.220 81 L C 1.140 177.974 176.870 -0.060 0.000 1.133 81 L CA 0.489 55.304 54.840 -0.041 0.000 0.798 81 L CB -0.633 41.406 42.059 -0.033 0.000 0.922 81 L HN 0.177 nan 8.230 nan 0.000 0.445 82 I N 0.010 120.512 120.570 -0.114 0.000 2.488 82 I HA 0.260 4.441 4.170 0.019 0.000 0.299 82 I C -0.042 176.037 176.117 -0.062 0.000 0.984 82 I CA -0.310 60.914 61.300 -0.127 0.000 1.250 82 I CB 1.403 39.216 38.000 -0.312 0.000 1.389 82 I HN 0.004 nan 8.210 nan 0.000 0.488 83 K N 3.523 123.913 120.400 -0.017 0.000 2.509 83 K HA 0.339 4.670 4.320 0.019 0.000 0.266 83 K C -1.028 175.584 176.600 0.020 0.000 0.987 83 K CA -0.992 55.294 56.287 -0.002 0.000 0.868 83 K CB 2.116 34.619 32.500 0.006 0.000 1.421 83 K HN 0.518 nan 8.250 nan 0.000 0.444 84 E N 0.212 120.421 120.200 0.015 0.000 2.465 84 E HA -0.001 4.360 4.350 0.019 0.000 0.260 84 E C 0.580 177.201 176.600 0.035 0.000 0.980 84 E CA 1.468 57.883 56.400 0.024 0.000 0.927 84 E CB 0.048 29.756 29.700 0.013 0.000 0.934 84 E HN 0.759 nan 8.360 nan 0.000 0.459 85 G N 3.904 112.733 108.800 0.050 0.000 2.217 85 G HA2 -0.241 3.730 3.960 0.019 0.000 0.246 85 G HA3 -0.241 3.730 3.960 0.019 0.000 0.246 85 G C -0.065 174.875 174.900 0.066 0.000 0.990 85 G CA 0.146 45.278 45.100 0.053 0.000 0.627 85 G HN 0.664 nan 8.290 nan 0.000 0.522 86 D N 0.216 120.666 120.400 0.083 0.000 2.390 86 D HA 0.408 5.059 4.640 0.019 0.000 0.236 86 D C 0.721 177.086 176.300 0.108 0.000 1.189 86 D CA 0.093 54.155 54.000 0.104 0.000 0.887 86 D CB 0.570 41.459 40.800 0.150 0.000 1.198 86 D HN 0.174 nan 8.370 nan 0.000 0.444 87 I N 0.877 121.501 120.570 0.089 0.000 2.396 87 I HA 0.137 4.318 4.170 0.019 0.000 0.292 87 I C -0.289 175.840 176.117 0.020 0.000 0.999 87 I CA -0.337 60.993 61.300 0.050 0.000 1.310 87 I CB 1.479 39.495 38.000 0.027 0.000 1.404 87 I HN -0.014 nan 8.210 nan 0.000 0.496 88 V N 6.890 126.775 119.914 -0.049 0.000 2.448 88 V HA 0.483 4.614 4.120 0.019 0.000 0.295 88 V C -0.199 175.795 176.094 -0.167 0.000 1.025 88 V CA -0.937 61.235 62.300 -0.214 0.000 0.859 88 V CB 1.532 33.189 31.823 -0.277 0.000 0.988 88 V HN 0.578 nan 8.190 nan 0.000 0.431 89 K N 4.054 124.345 120.400 -0.181 0.000 2.259 89 K HA 0.641 4.972 4.320 0.019 0.000 0.252 89 K C -0.195 176.335 176.600 -0.116 0.000 0.936 89 K CA -0.892 55.326 56.287 -0.114 0.000 0.810 89 K CB 2.651 35.107 32.500 -0.074 0.000 1.143 89 K HN 0.595 nan 8.250 nan 0.000 0.427 90 R N -0.021 120.429 120.500 -0.082 0.000 2.840 90 R HA 0.072 4.423 4.340 0.019 0.000 0.282 90 R C 1.048 177.319 176.300 -0.049 0.000 1.133 90 R CA 0.349 56.410 56.100 -0.065 0.000 1.208 90 R CB 0.068 30.340 30.300 -0.047 0.000 1.160 90 R HN 0.823 nan 8.270 nan 0.000 0.576 91 T N -4.439 110.095 114.554 -0.033 0.000 3.252 91 T HA 0.168 4.529 4.350 0.019 0.000 0.295 91 T C 1.118 175.809 174.700 -0.015 0.000 0.897 91 T CA 0.212 62.299 62.100 -0.022 0.000 0.905 91 T CB 0.487 69.346 68.868 -0.014 0.000 1.202 91 T HN 0.848 nan 8.240 nan 0.000 0.592 92 G N 1.532 110.323 108.800 -0.016 0.000 2.212 92 G HA2 0.033 4.004 3.960 0.019 0.000 0.267 92 G HA3 0.033 4.004 3.960 0.019 0.000 0.267 92 G C 0.236 175.132 174.900 -0.007 0.000 1.002 92 G CA 0.146 45.239 45.100 -0.012 0.000 0.729 92 G HN 1.560 nan 8.290 nan 0.000 0.517 93 A N 0.175 122.993 122.820 -0.004 0.000 2.319 93 A HA 0.731 5.062 4.320 0.019 0.000 0.310 93 A C 0.234 177.823 177.584 0.008 0.000 1.152 93 A CA -0.770 51.267 52.037 -0.000 0.000 0.783 93 A CB 1.014 20.012 19.000 -0.004 0.000 1.184 93 A HN 0.437 nan 8.150 nan 0.000 0.474 94 I N 2.665 123.240 120.570 0.008 0.000 2.683 94 I HA -0.003 4.178 4.170 0.019 0.000 0.286 94 I C 0.790 176.915 176.117 0.012 0.000 1.175 94 I CA 0.194 61.503 61.300 0.015 0.000 1.429 94 I CB 0.605 38.610 38.000 0.008 0.000 1.371 94 I HN 0.424 nan 8.210 nan 0.000 0.569 95 V N 7.560 127.491 119.914 0.029 0.000 2.814 95 V HA -0.156 3.975 4.120 0.019 0.000 0.298 95 V C 0.306 176.384 176.094 -0.027 0.000 1.195 95 V CA 0.623 62.927 62.300 0.007 0.000 1.323 95 V CB -0.739 31.101 31.823 0.028 0.000 0.842 95 V HN 0.942 nan 8.190 nan 0.000 0.494 96 D N 3.725 124.099 120.400 -0.044 0.000 2.744 96 D HA 0.791 5.442 4.640 0.019 0.000 0.304 96 D C -0.638 175.624 176.300 -0.063 0.000 1.179 96 D CA -0.468 53.505 54.000 -0.045 0.000 1.024 96 D CB 2.099 42.880 40.800 -0.031 0.000 1.453 96 D HN 0.615 nan 8.370 nan 0.000 0.529 97 V N -5.822 114.059 119.914 -0.055 0.000 3.120 97 V HA 0.631 4.762 4.120 0.019 0.000 0.303 97 V C -3.043 173.014 176.094 -0.063 0.000 1.238 97 V CA -2.236 60.026 62.300 -0.063 0.000 1.008 97 V CB 1.567 33.350 31.823 -0.068 0.000 1.064 97 V HN 0.419 nan 8.190 nan 0.000 0.434 98 P HA 0.243 nan 4.420 nan 0.000 0.261 98 P C -0.676 176.558 177.300 -0.111 0.000 1.173 98 P CA 0.534 63.585 63.100 -0.082 0.000 0.760 98 P CB 0.581 32.237 31.700 -0.074 0.000 0.783 99 V N 2.870 122.690 119.914 -0.156 0.000 3.049 99 V HA 0.901 5.032 4.120 0.019 0.000 0.309 99 V C 0.256 176.061 176.094 -0.481 0.000 1.148 99 V CA 0.268 62.413 62.300 -0.259 0.000 0.990 99 V CB 2.190 33.913 31.823 -0.167 0.000 1.039 99 V HN 0.903 nan 8.190 nan 0.000 0.430 100 G N 2.278 110.530 108.800 -0.914 0.000 2.362 100 G HA2 0.015 3.986 3.960 0.019 0.000 0.656 100 G HA3 0.015 3.986 3.960 0.019 0.000 0.656 100 G C -0.018 174.391 174.900 -0.818 0.000 1.376 100 G CA -0.190 44.098 45.100 -1.353 0.000 0.971 100 G HN 0.620 nan 8.290 nan 0.000 0.636 101 E N 0.212 120.038 120.200 -0.623 0.000 2.333 101 E HA -0.178 4.184 4.350 0.019 0.000 0.200 101 E C 1.776 178.345 176.600 -0.052 0.000 1.010 101 E CA 1.400 57.716 56.400 -0.139 0.000 0.841 101 E CB 0.067 29.772 29.700 0.008 0.000 0.757 101 E HN 0.679 nan 8.360 nan 0.000 0.508 102 E N 0.364 120.500 120.200 -0.106 0.000 2.463 102 E HA -0.060 4.302 4.350 0.019 0.000 0.191 102 E C 1.343 177.921 176.600 -0.037 0.000 1.083 102 E CA 0.221 56.591 56.400 -0.049 0.000 0.872 102 E CB 0.060 29.727 29.700 -0.055 0.000 0.966 102 E HN 0.217 nan 8.360 nan 0.000 0.491 103 L N 0.389 121.591 121.223 -0.035 0.000 2.408 103 L HA 0.167 4.518 4.340 0.019 0.000 0.215 103 L C 1.088 177.978 176.870 0.034 0.000 1.081 103 L CA 0.245 55.078 54.840 -0.011 0.000 0.840 103 L CB -0.154 41.890 42.059 -0.025 0.000 1.002 103 L HN 0.092 nan 8.230 nan 0.000 0.468 104 L N 0.513 121.780 121.223 0.074 0.000 2.593 104 L HA 0.042 4.393 4.340 0.019 0.000 0.287 104 L C 1.524 178.425 176.870 0.051 0.000 1.243 104 L CA 1.015 55.914 54.840 0.098 0.000 0.890 104 L CB -0.398 41.758 42.059 0.161 0.000 1.134 104 L HN 0.527 nan 8.230 nan 0.000 0.502 105 G N 1.804 110.619 108.800 0.024 0.000 2.184 105 G HA2 -0.240 3.731 3.960 0.019 0.000 0.264 105 G HA3 -0.240 3.731 3.960 0.019 0.000 0.264 105 G C 0.328 175.226 174.900 -0.004 0.000 0.975 105 G CA -0.182 44.915 45.100 -0.005 0.000 0.642 105 G HN 0.467 nan 8.290 nan 0.000 0.536 106 R N -0.468 120.036 120.500 0.007 0.000 2.598 106 R HA 0.679 5.030 4.340 0.019 0.000 0.279 106 R C -0.147 176.156 176.300 0.005 0.000 0.984 106 R CA -0.962 55.139 56.100 0.002 0.000 0.999 106 R CB 1.556 31.855 30.300 -0.001 0.000 1.114 106 R HN 0.210 nan 8.270 nan 0.000 0.493 107 V N 3.261 123.178 119.914 0.003 0.000 2.304 107 V HA 0.270 4.401 4.120 0.019 0.000 0.278 107 V C 0.130 176.229 176.094 0.007 0.000 1.018 107 V CA -0.727 61.579 62.300 0.010 0.000 0.814 107 V CB 1.204 33.033 31.823 0.010 0.000 1.021 107 V HN 0.557 nan 8.190 nan 0.000 0.440 108 V N 1.602 121.520 119.914 0.007 0.000 2.975 108 V HA 0.818 4.949 4.120 0.019 0.000 0.318 108 V C -0.010 176.084 176.094 -0.000 0.000 1.077 108 V CA -0.761 61.538 62.300 -0.002 0.000 1.000 108 V CB 2.040 33.856 31.823 -0.011 0.000 1.066 108 V HN 0.729 nan 8.190 nan 0.000 0.452 109 D N 1.936 122.333 120.400 -0.006 0.000 2.478 109 D HA 0.451 5.103 4.640 0.019 0.000 0.274 109 D C 1.061 177.347 176.300 -0.025 0.000 1.234 109 D CA 0.002 53.998 54.000 -0.006 0.000 1.069 109 D CB 0.862 41.662 40.800 -0.000 0.000 1.113 109 D HN 0.811 nan 8.370 nan 0.000 0.571 110 A N -0.949 121.852 122.820 -0.032 0.000 2.209 110 A HA 0.055 4.386 4.320 0.019 0.000 0.212 110 A C 2.031 179.547 177.584 -0.115 0.000 1.158 110 A CA 0.531 52.530 52.037 -0.064 0.000 0.742 110 A CB -0.759 18.209 19.000 -0.054 0.000 0.790 110 A HN 0.510 nan 8.150 nan 0.000 0.472 111 L N -2.311 118.848 121.223 -0.107 0.000 2.616 111 L HA 0.270 4.621 4.340 0.019 0.000 0.229 111 L C 1.693 178.510 176.870 -0.089 0.000 1.110 111 L CA 0.654 55.413 54.840 -0.135 0.000 0.884 111 L CB 0.336 42.320 42.059 -0.125 0.000 1.115 111 L HN 0.529 nan 8.230 nan 0.000 0.481 112 G N -0.520 108.242 108.800 -0.062 0.000 2.213 112 G HA2 -0.235 3.736 3.960 0.019 0.000 0.226 112 G HA3 -0.235 3.736 3.960 0.019 0.000 0.226 112 G C 0.131 175.009 174.900 -0.036 0.000 0.992 112 G CA -0.441 44.630 45.100 -0.049 0.000 0.632 112 G HN 0.293 nan 8.290 nan 0.000 0.511 113 N N 1.597 120.279 118.700 -0.030 0.000 2.458 113 N HA 0.471 5.222 4.740 0.019 0.000 0.258 113 N C 0.642 176.145 175.510 -0.011 0.000 1.219 113 N CA 0.842 53.881 53.050 -0.017 0.000 0.902 113 N CB 1.103 39.585 38.487 -0.009 0.000 1.076 113 N HN 0.817 nan 8.380 nan 0.000 0.455 114 A N 1.930 124.745 122.820 -0.009 0.000 2.425 114 A HA 0.333 4.664 4.320 0.019 0.000 0.249 114 A C 1.290 178.874 177.584 0.000 0.000 1.084 114 A CA -0.373 51.661 52.037 -0.005 0.000 0.781 114 A CB -0.238 18.759 19.000 -0.006 0.000 1.019 114 A HN 0.829 nan 8.150 nan 0.000 0.490 115 I N -1.266 119.306 120.570 0.003 0.000 4.225 115 I HA 0.248 4.429 4.170 0.019 0.000 0.327 115 I C 0.082 176.202 176.117 0.005 0.000 1.422 115 I CA -0.025 61.279 61.300 0.006 0.000 1.150 115 I CB 0.441 38.448 38.000 0.011 0.000 1.192 115 I HN 0.450 nan 8.210 nan 0.000 0.440 116 D N 1.295 121.696 120.400 0.002 0.000 2.340 116 D HA 0.131 4.782 4.640 0.019 0.000 0.220 116 D C 1.736 178.035 176.300 -0.001 0.000 1.039 116 D CA 0.610 54.610 54.000 -0.000 0.000 0.866 116 D CB -0.111 40.687 40.800 -0.004 0.000 0.913 116 D HN 0.430 nan 8.370 nan 0.000 0.523 117 G N 0.937 109.737 108.800 0.000 0.000 2.233 117 G HA2 -0.399 3.572 3.960 0.019 0.000 0.270 117 G HA3 -0.399 3.572 3.960 0.019 0.000 0.270 117 G C 0.636 175.535 174.900 -0.001 0.000 1.011 117 G CA 0.460 45.560 45.100 0.001 0.000 0.762 117 G HN 0.457 nan 8.290 nan 0.000 0.511 118 K N 0.545 120.943 120.400 -0.003 0.000 2.708 118 K HA 0.443 4.774 4.320 0.019 0.000 0.219 118 K C 1.229 177.827 176.600 -0.004 0.000 1.068 118 K CA 0.344 56.629 56.287 -0.004 0.000 1.212 118 K CB -0.180 32.317 32.500 -0.005 0.000 0.978 118 K HN 1.358 nan 8.250 nan 0.000 0.475 119 G N 2.813 111.611 108.800 -0.003 0.000 2.716 119 G HA2 -0.173 3.798 3.960 0.019 0.000 0.686 119 G HA3 -0.173 3.798 3.960 0.019 0.000 0.686 119 G C -2.644 172.253 174.900 -0.006 0.000 1.337 119 G CA -1.314 43.783 45.100 -0.004 0.000 0.829 119 G HN 0.080 nan 8.290 nan 0.000 0.599 120 P HA 0.187 nan 4.420 nan 0.000 0.266 120 P C 0.575 177.866 177.300 -0.014 0.000 1.186 120 P CA -0.000 63.094 63.100 -0.010 0.000 0.767 120 P CB 0.320 32.014 31.700 -0.009 0.000 0.820 121 I N 1.578 122.137 120.570 -0.019 0.000 2.396 121 I HA 0.126 4.307 4.170 0.019 0.000 0.289 121 I C 1.466 177.564 176.117 -0.031 0.000 1.056 121 I CA 0.021 61.305 61.300 -0.026 0.000 1.365 121 I CB 0.113 38.093 38.000 -0.034 0.000 1.407 121 I HN 0.403 nan 8.210 nan 0.000 0.509 122 G N 4.704 113.486 108.800 -0.030 0.000 3.064 122 G HA2 0.182 4.153 3.960 0.019 0.000 0.286 122 G HA3 0.182 4.153 3.960 0.019 0.000 0.286 122 G C 0.235 175.108 174.900 -0.046 0.000 0.834 122 G CA -0.124 44.958 45.100 -0.031 0.000 1.856 122 G HN 0.566 nan 8.290 nan 0.000 0.559 123 S N 0.436 116.104 115.700 -0.054 0.000 2.525 123 S HA 0.337 4.818 4.470 0.019 0.000 0.278 123 S C 1.257 175.819 174.600 -0.062 0.000 1.234 123 S CA -0.657 57.498 58.200 -0.075 0.000 1.058 123 S CB 1.288 64.435 63.200 -0.089 0.000 0.983 123 S HN 0.576 nan 8.310 nan 0.000 0.495 124 K N 2.245 122.604 120.400 -0.069 0.000 2.141 124 K HA 0.289 4.620 4.320 0.019 0.000 0.202 124 K C 0.765 177.338 176.600 -0.046 0.000 1.045 124 K CA 0.419 56.678 56.287 -0.046 0.000 0.971 124 K CB -0.006 32.474 32.500 -0.034 0.000 0.795 124 K HN 0.607 nan 8.250 nan 0.000 0.459 125 A N 1.646 124.428 122.820 -0.063 0.000 2.286 125 A HA 0.470 4.801 4.320 0.019 0.000 0.286 125 A C -0.383 177.163 177.584 -0.062 0.000 1.097 125 A CA -0.341 51.667 52.037 -0.048 0.000 0.821 125 A CB 0.576 19.561 19.000 -0.025 0.000 1.076 125 A HN 0.150 nan 8.150 nan 0.000 0.490 126 R N -0.562 119.914 120.500 -0.040 0.000 2.837 126 R HA 0.726 5.077 4.340 0.019 0.000 0.271 126 R C -0.823 175.460 176.300 -0.027 0.000 0.993 126 R CA -0.796 55.280 56.100 -0.040 0.000 0.931 126 R CB 2.439 32.719 30.300 -0.033 0.000 1.206 126 R HN 0.839 nan 8.270 nan 0.000 0.474 127 R N 0.954 121.437 120.500 -0.028 0.000 2.566 127 R HA 0.292 4.643 4.340 0.019 0.000 0.271 127 R C -1.145 175.144 176.300 -0.018 0.000 1.071 127 R CA -0.703 55.388 56.100 -0.015 0.000 0.915 127 R CB 1.568 31.864 30.300 -0.007 0.000 1.228 127 R HN 0.536 nan 8.270 nan 0.000 0.449 128 R N 1.967 122.459 120.500 -0.013 0.000 2.590 128 R HA 0.048 4.399 4.340 0.019 0.000 0.274 128 R C 1.412 177.701 176.300 -0.018 0.000 1.061 128 R CA 0.252 56.341 56.100 -0.018 0.000 1.081 128 R CB 0.805 31.096 30.300 -0.015 0.000 0.984 128 R HN 0.593 nan 8.270 nan 0.000 0.448 129 V N 0.308 120.203 119.914 -0.032 0.000 2.591 129 V HA 0.042 4.173 4.120 0.019 0.000 0.249 129 V C 1.366 177.434 176.094 -0.044 0.000 1.053 129 V CA 1.727 64.014 62.300 -0.021 0.000 1.068 129 V CB -0.339 31.460 31.823 -0.041 0.000 0.689 129 V HN 0.879 nan 8.190 nan 0.000 0.462 130 G N 0.498 109.244 108.800 -0.089 0.000 3.314 130 G HA2 0.348 4.319 3.960 0.019 0.000 0.238 130 G HA3 0.348 4.319 3.960 0.019 0.000 0.238 130 G C 0.411 175.272 174.900 -0.066 0.000 1.184 130 G CA -0.450 44.573 45.100 -0.128 0.000 0.806 130 G HN 0.487 nan 8.290 nan 0.000 0.536 131 L N 0.216 121.423 121.223 -0.026 0.000 2.483 131 L HA 0.198 4.549 4.340 0.019 0.000 0.275 131 L C 0.878 177.746 176.870 -0.003 0.000 1.220 131 L CA -0.282 54.553 54.840 -0.008 0.000 0.833 131 L CB 0.633 42.694 42.059 0.004 0.000 1.102 131 L HN 0.052 nan 8.230 nan 0.000 0.490 132 K N 1.895 122.299 120.400 0.007 0.000 2.270 132 K HA 0.452 4.783 4.320 0.019 0.000 0.276 132 K C -0.188 176.420 176.600 0.013 0.000 1.023 132 K CA -0.413 55.884 56.287 0.018 0.000 0.955 132 K CB 1.138 33.655 32.500 0.027 0.000 0.975 132 K HN 0.627 nan 8.250 nan 0.000 0.471 133 A N 4.909 127.738 122.820 0.016 0.000 2.466 133 A HA 0.263 4.594 4.320 0.019 0.000 0.238 133 A C -2.109 175.469 177.584 -0.011 0.000 1.074 133 A CA -1.110 50.931 52.037 0.006 0.000 0.774 133 A CB -0.604 18.401 19.000 0.009 0.000 1.015 133 A HN 0.685 nan 8.150 nan 0.000 0.498 134 P HA 0.191 nan 4.420 nan 0.000 0.266 134 P C 0.721 177.981 177.300 -0.068 0.000 1.195 134 P CA 0.535 63.592 63.100 -0.071 0.000 0.768 134 P CB 0.303 31.937 31.700 -0.110 0.000 0.838 135 G N 1.503 110.254 108.800 -0.082 0.000 2.479 135 G HA2 0.083 4.054 3.960 0.019 0.000 0.275 135 G HA3 0.083 4.054 3.960 0.019 0.000 0.275 135 G C 1.095 175.951 174.900 -0.074 0.000 1.421 135 G CA -0.533 44.529 45.100 -0.063 0.000 1.059 135 G HN 0.424 nan 8.290 nan 0.000 0.535 136 I N -0.296 120.243 120.570 -0.052 0.000 2.233 136 I HA -0.092 4.089 4.170 0.019 0.000 0.243 136 I C 2.574 178.654 176.117 -0.062 0.000 1.093 136 I CA 0.390 61.664 61.300 -0.043 0.000 1.380 136 I CB -0.108 37.881 38.000 -0.020 0.000 1.067 136 I HN 0.242 nan 8.210 nan 0.000 0.413 137 I N 1.358 121.886 120.570 -0.070 0.000 2.127 137 I HA -0.178 4.003 4.170 0.019 0.000 0.241 137 I C -0.115 175.917 176.117 -0.142 0.000 1.075 137 I CA 1.950 63.212 61.300 -0.064 0.000 1.334 137 I CB -2.746 35.243 38.000 -0.019 0.000 1.040 137 I HN 0.181 nan 8.210 nan 0.000 0.405 138 P HA -0.092 nan 4.420 nan 0.000 0.225 138 P C 0.510 177.611 177.300 -0.332 0.000 1.148 138 P CA 1.029 63.681 63.100 -0.748 0.000 0.779 138 P CB 0.006 30.996 31.700 -1.185 0.000 0.780 139 R N -0.496 119.904 120.500 -0.167 0.000 2.549 139 R HA 0.641 4.992 4.340 0.019 0.000 0.259 139 R C -0.147 176.143 176.300 -0.017 0.000 1.095 139 R CA -0.750 55.307 56.100 -0.071 0.000 1.148 139 R CB 0.519 30.787 30.300 -0.054 0.000 1.181 139 R HN -0.052 nan 8.270 nan 0.000 0.571 140 I N -1.235 119.338 120.570 0.004 0.000 2.841 140 I HA 0.151 4.332 4.170 0.019 0.000 0.298 140 I C -0.825 175.301 176.117 0.015 0.000 1.304 140 I CA -0.139 61.172 61.300 0.018 0.000 1.019 140 I CB 2.539 40.560 38.000 0.035 0.000 1.282 140 I HN 0.478 nan 8.210 nan 0.000 0.432 141 S N 4.368 120.077 115.700 0.014 0.000 2.626 141 S HA 0.181 4.663 4.470 0.019 0.000 0.303 141 S C -0.052 174.554 174.600 0.009 0.000 1.256 141 S CA 0.010 58.216 58.200 0.010 0.000 1.069 141 S CB -0.112 63.094 63.200 0.010 0.000 0.807 141 S HN 0.827 nan 8.310 nan 0.000 0.500 142 V N 4.636 124.552 119.914 0.004 0.000 2.617 142 V HA 0.224 4.355 4.120 0.019 0.000 0.304 142 V C 1.044 177.133 176.094 -0.008 0.000 1.040 142 V CA 0.182 62.480 62.300 -0.004 0.000 1.149 142 V CB 0.229 32.045 31.823 -0.012 0.000 0.914 142 V HN 0.996 nan 8.190 nan 0.000 0.487 143 R N 1.570 122.061 120.500 -0.015 0.000 2.555 143 R HA 0.390 4.741 4.340 0.019 0.000 0.312 143 R C -0.062 176.218 176.300 -0.034 0.000 0.938 143 R CA -0.297 55.793 56.100 -0.015 0.000 1.112 143 R CB 0.436 30.734 30.300 -0.003 0.000 1.535 143 R HN 0.751 nan 8.270 nan 0.000 0.525 144 E N 3.613 123.776 120.200 -0.062 0.000 2.175 144 E HA 0.351 4.712 4.350 0.019 0.000 0.278 144 E C -2.524 174.005 176.600 -0.118 0.000 0.969 144 E CA -2.457 53.880 56.400 -0.104 0.000 0.796 144 E CB 1.795 31.386 29.700 -0.182 0.000 1.104 144 E HN -0.032 nan 8.360 nan 0.000 0.395 145 P HA -0.020 nan 4.420 nan 0.000 0.269 145 P C -0.623 176.577 177.300 -0.166 0.000 1.209 145 P CA -0.023 63.016 63.100 -0.102 0.000 0.776 145 P CB 0.505 32.164 31.700 -0.069 0.000 0.876 146 M N 3.023 122.539 119.600 -0.140 0.000 2.182 146 M HA 0.129 4.620 4.480 0.019 0.000 0.285 146 M C -0.452 175.775 176.300 -0.121 0.000 0.956 146 M CA -0.473 54.723 55.300 -0.173 0.000 0.878 146 M CB 0.215 32.736 32.600 -0.131 0.000 1.373 146 M HN 0.320 nan 8.290 nan 0.000 0.393 147 Q N 1.669 121.391 119.800 -0.129 0.000 2.330 147 Q HA 0.125 4.476 4.340 0.019 0.000 0.279 147 Q C 1.030 177.032 176.000 0.004 0.000 1.024 147 Q CA 0.517 56.309 55.803 -0.018 0.000 0.900 147 Q CB 0.563 29.357 28.738 0.094 0.000 1.221 147 Q HN 0.699 nan 8.270 nan 0.000 0.396 148 T N -1.928 112.640 114.554 0.024 0.000 3.034 148 T HA 0.235 4.596 4.350 0.019 0.000 0.248 148 T C 1.244 175.973 174.700 0.049 0.000 1.040 148 T CA 0.448 62.565 62.100 0.028 0.000 1.107 148 T CB 0.241 69.120 68.868 0.018 0.000 0.932 148 T HN 0.835 nan 8.240 nan 0.000 0.474 149 G N 1.673 110.506 108.800 0.054 0.000 2.195 149 G HA2 -0.179 3.792 3.960 0.019 0.000 0.246 149 G HA3 -0.179 3.792 3.960 0.019 0.000 0.246 149 G C 0.027 174.947 174.900 0.033 0.000 0.984 149 G CA -0.062 45.068 45.100 0.051 0.000 0.633 149 G HN 0.634 nan 8.290 nan 0.000 0.525 150 I N 1.843 122.431 120.570 0.029 0.000 2.297 150 I HA 0.219 4.400 4.170 0.019 0.000 0.291 150 I C 1.688 177.821 176.117 0.026 0.000 1.033 150 I CA -0.756 60.558 61.300 0.023 0.000 1.253 150 I CB 1.192 39.203 38.000 0.019 0.000 1.396 150 I HN 0.051 nan 8.210 nan 0.000 0.476 151 K N 4.780 125.195 120.400 0.026 0.000 2.059 151 K HA -0.258 4.073 4.320 0.019 0.000 0.212 151 K C 2.043 178.660 176.600 0.028 0.000 1.050 151 K CA 1.813 58.117 56.287 0.028 0.000 0.927 151 K CB -0.330 32.187 32.500 0.028 0.000 0.714 151 K HN 0.770 nan 8.250 nan 0.000 0.447 152 A N 1.465 124.302 122.820 0.029 0.000 1.883 152 A HA -0.131 4.200 4.320 0.019 0.000 0.217 152 A C 2.541 180.145 177.584 0.034 0.000 1.186 152 A CA 1.767 53.824 52.037 0.033 0.000 0.624 152 A CB -0.768 18.256 19.000 0.041 0.000 0.822 152 A HN 0.106 nan 8.150 nan 0.000 0.444 153 V N 0.721 120.654 119.914 0.031 0.000 2.244 153 V HA -0.206 3.925 4.120 0.019 0.000 0.244 153 V C 1.968 178.076 176.094 0.023 0.000 1.042 153 V CA 2.144 64.461 62.300 0.027 0.000 1.006 153 V CB -0.876 30.961 31.823 0.022 0.000 0.641 153 V HN 0.504 nan 8.190 nan 0.000 0.446 154 D N 0.453 120.867 120.400 0.023 0.000 2.350 154 D HA -0.083 4.568 4.640 0.019 0.000 0.216 154 D C 2.260 178.574 176.300 0.024 0.000 0.968 154 D CA 1.561 55.574 54.000 0.022 0.000 0.894 154 D CB 0.035 40.851 40.800 0.027 0.000 0.909 154 D HN 0.642 nan 8.370 nan 0.000 0.520 155 S N -0.522 115.193 115.700 0.026 0.000 2.460 155 S HA 0.090 4.571 4.470 0.019 0.000 0.226 155 S C 1.928 176.543 174.600 0.025 0.000 1.057 155 S CA -0.086 58.130 58.200 0.026 0.000 0.948 155 S CB -0.064 63.152 63.200 0.027 0.000 0.822 155 S HN 0.133 nan 8.310 nan 0.000 0.512 156 L N 0.964 122.203 121.223 0.028 0.000 2.609 156 L HA 0.423 4.774 4.340 0.019 0.000 0.230 156 L C -0.146 176.743 176.870 0.032 0.000 1.087 156 L CA 0.074 54.933 54.840 0.031 0.000 0.874 156 L CB 0.885 42.967 42.059 0.037 0.000 1.114 156 L HN 0.141 nan 8.230 nan 0.000 0.488 157 V N 0.277 120.208 119.914 0.029 0.000 2.575 157 V HA 0.242 4.373 4.120 0.019 0.000 0.281 157 V C -2.454 173.648 176.094 0.014 0.000 1.087 157 V CA -1.196 61.119 62.300 0.025 0.000 1.193 157 V CB 0.309 32.150 31.823 0.031 0.000 1.426 157 V HN -0.039 nan 8.190 nan 0.000 0.623 158 P HA 0.053 nan 4.420 nan 0.000 0.258 158 P C -0.329 176.967 177.300 -0.007 0.000 1.172 158 P CA 0.614 63.715 63.100 0.002 0.000 0.762 158 P CB 0.338 32.040 31.700 0.003 0.000 0.764 159 I N 3.020 123.581 120.570 -0.016 0.000 2.385 159 I HA 0.420 4.601 4.170 0.019 0.000 0.294 159 I C 1.247 177.341 176.117 -0.039 0.000 0.988 159 I CA -0.522 60.763 61.300 -0.025 0.000 1.265 159 I CB 0.767 38.748 38.000 -0.031 0.000 1.388 159 I HN 0.305 nan 8.210 nan 0.000 0.480 160 G N 5.532 114.310 108.800 -0.038 0.000 2.461 160 G HA2 0.526 4.497 3.960 0.019 0.000 0.329 160 G HA3 0.526 4.497 3.960 0.019 0.000 0.329 160 G C -0.292 174.571 174.900 -0.062 0.000 1.170 160 G CA -0.876 44.194 45.100 -0.050 0.000 0.935 160 G HN 0.517 nan 8.290 nan 0.000 0.492 161 R N -0.014 120.432 120.500 -0.090 0.000 2.316 161 R HA 0.429 4.780 4.340 0.019 0.000 0.314 161 R C 0.964 177.246 176.300 -0.031 0.000 1.069 161 R CA 0.888 56.931 56.100 -0.095 0.000 0.959 161 R CB 0.868 31.045 30.300 -0.204 0.000 0.987 161 R HN 1.064 nan 8.270 nan 0.000 0.446 162 G N 1.935 110.732 108.800 -0.004 0.000 2.168 162 G HA2 -0.261 3.711 3.960 0.019 0.000 0.197 162 G HA3 -0.261 3.711 3.960 0.019 0.000 0.197 162 G C 0.038 174.942 174.900 0.007 0.000 0.997 162 G CA -0.121 44.990 45.100 0.018 0.000 0.658 162 G HN 0.582 nan 8.290 nan 0.000 0.513 163 Q N -0.207 119.590 119.800 -0.005 0.000 2.212 163 Q HA 0.759 5.110 4.340 0.019 0.000 0.238 163 Q C -0.195 175.804 176.000 -0.003 0.000 0.955 163 Q CA -0.755 55.044 55.803 -0.006 0.000 0.906 163 Q CB 0.602 29.331 28.738 -0.014 0.000 1.215 163 Q HN 0.220 nan 8.270 nan 0.000 0.478 164 R N 1.898 122.395 120.500 -0.004 0.000 2.337 164 R HA 0.309 4.660 4.340 0.019 0.000 0.319 164 R C -1.535 174.755 176.300 -0.018 0.000 0.954 164 R CA -0.487 55.611 56.100 -0.004 0.000 0.840 164 R CB 1.591 31.888 30.300 -0.005 0.000 1.164 164 R HN 0.549 nan 8.270 nan 0.000 0.472 165 E N 2.883 123.069 120.200 -0.023 0.000 2.199 165 E HA 0.351 4.712 4.350 0.019 0.000 0.265 165 E C -1.486 175.083 176.600 -0.051 0.000 0.882 165 E CA -0.916 55.462 56.400 -0.038 0.000 0.759 165 E CB 1.132 30.814 29.700 -0.031 0.000 1.148 165 E HN 0.396 nan 8.360 nan 0.000 0.412 166 L N 5.295 126.468 121.223 -0.082 0.000 2.312 166 L HA 0.474 4.826 4.340 0.019 0.000 0.281 166 L C -1.096 175.706 176.870 -0.114 0.000 1.070 166 L CA -0.428 54.350 54.840 -0.103 0.000 0.805 166 L CB 0.730 42.707 42.059 -0.137 0.000 1.174 166 L HN 0.557 nan 8.230 nan 0.000 0.434 167 I N 7.032 127.552 120.570 -0.083 0.000 2.312 167 I HA 0.378 4.559 4.170 0.019 0.000 0.290 167 I C -0.217 175.855 176.117 -0.075 0.000 1.008 167 I CA -0.155 61.106 61.300 -0.065 0.000 1.226 167 I CB 0.807 38.792 38.000 -0.025 0.000 1.371 167 I HN 0.634 nan 8.210 nan 0.000 0.468 168 I N 4.823 125.337 120.570 -0.092 0.000 2.582 168 I HA 0.852 5.033 4.170 0.019 0.000 0.292 168 I C -0.292 175.838 176.117 0.022 0.000 1.066 168 I CA 0.039 61.301 61.300 -0.064 0.000 1.053 168 I CB 2.190 40.104 38.000 -0.144 0.000 1.241 168 I HN 0.707 nan 8.210 nan 0.000 0.421 169 G N 5.188 114.009 108.800 0.036 0.000 2.349 169 G HA2 0.213 4.184 3.960 0.019 0.000 0.294 169 G HA3 0.213 4.184 3.960 0.019 0.000 0.294 169 G C -1.888 173.027 174.900 0.024 0.000 1.380 169 G CA -0.678 44.454 45.100 0.053 0.000 0.811 169 G HN 0.489 nan 8.290 nan 0.000 0.519 170 D N -0.047 120.360 120.400 0.011 0.000 2.414 170 D HA 0.327 4.978 4.640 0.019 0.000 0.259 170 D C 1.081 177.366 176.300 -0.025 0.000 1.269 170 D CA -0.212 53.790 54.000 0.002 0.000 1.028 170 D CB 0.442 41.244 40.800 0.004 0.000 1.093 170 D HN 0.680 nan 8.370 nan 0.000 0.545 171 R N 0.090 120.582 120.500 -0.014 0.000 2.679 171 R HA 0.021 4.373 4.340 0.019 0.000 0.268 171 R C -0.105 176.157 176.300 -0.063 0.000 1.044 171 R CA -0.211 55.877 56.100 -0.020 0.000 1.105 171 R CB 0.161 30.464 30.300 0.005 0.000 0.989 171 R HN 0.224 nan 8.270 nan 0.000 0.447 172 Q N 0.048 119.800 119.800 -0.080 0.000 2.475 172 Q HA -0.148 4.203 4.340 0.019 0.000 0.280 172 Q C -0.009 175.738 176.000 -0.422 0.000 1.234 172 Q CA 1.710 57.423 55.803 -0.149 0.000 0.873 172 Q CB -1.623 27.078 28.738 -0.061 0.000 1.256 172 Q HN 0.991 nan 8.270 nan 0.000 0.475 173 T N -4.504 109.795 114.554 -0.424 0.000 3.069 173 T HA 0.426 4.788 4.350 0.019 0.000 0.252 173 T C 1.087 175.428 174.700 -0.598 0.000 1.053 173 T CA 0.513 62.175 62.100 -0.731 0.000 0.964 173 T CB 0.996 69.679 68.868 -0.310 0.000 1.005 173 T HN 0.765 nan 8.240 nan 0.000 0.532 174 G N 1.851 110.469 108.800 -0.303 0.000 2.207 174 G HA2 -0.230 3.741 3.960 0.019 0.000 0.216 174 G HA3 -0.230 3.741 3.960 0.019 0.000 0.216 174 G C 0.540 175.438 174.900 -0.003 0.000 1.053 174 G CA 0.199 45.280 45.100 -0.032 0.000 0.764 174 G HN 0.496 nan 8.290 nan 0.000 0.495 175 K N -0.546 119.841 120.400 -0.023 0.000 1.980 175 K HA 0.001 4.332 4.320 0.019 0.000 0.208 175 K C 2.674 179.292 176.600 0.030 0.000 1.043 175 K CA 1.789 58.079 56.287 0.005 0.000 0.938 175 K CB -0.419 32.080 32.500 -0.002 0.000 0.724 175 K HN 0.250 nan 8.250 nan 0.000 0.438 176 T N 1.304 115.887 114.554 0.048 0.000 2.685 176 T HA -0.183 4.178 4.350 0.019 0.000 0.268 176 T C 2.050 176.776 174.700 0.044 0.000 1.034 176 T CA 1.813 63.964 62.100 0.085 0.000 1.149 176 T CB -0.394 68.536 68.868 0.102 0.000 0.860 176 T HN 0.145 nan 8.240 nan 0.000 0.449 177 S N 0.790 116.499 115.700 0.015 0.000 2.420 177 S HA -0.056 4.426 4.470 0.019 0.000 0.237 177 S C 1.936 176.522 174.600 -0.023 0.000 1.023 177 S CA 0.871 59.053 58.200 -0.029 0.000 0.991 177 S CB -0.450 62.723 63.200 -0.044 0.000 0.792 177 S HN 0.468 nan 8.310 nan 0.000 0.488 178 I N 1.004 121.578 120.570 0.008 0.000 2.406 178 I HA -0.128 4.053 4.170 0.019 0.000 0.249 178 I C 2.637 178.766 176.117 0.021 0.000 1.122 178 I CA 0.802 62.108 61.300 0.011 0.000 1.431 178 I CB -0.509 37.503 38.000 0.020 0.000 1.087 178 I HN 0.272 nan 8.210 nan 0.000 0.424 179 A N 1.662 124.508 122.820 0.043 0.000 1.865 179 A HA -0.196 4.135 4.320 0.019 0.000 0.217 179 A C 2.170 179.783 177.584 0.047 0.000 1.191 179 A CA 1.470 53.548 52.037 0.069 0.000 0.623 179 A CB -0.579 18.514 19.000 0.156 0.000 0.826 179 A HN 0.245 nan 8.150 nan 0.000 0.444 180 I N 0.713 121.292 120.570 0.014 0.000 2.058 180 I HA -0.239 3.942 4.170 0.019 0.000 0.235 180 I C 1.966 178.101 176.117 0.029 0.000 1.053 180 I CA 1.925 63.223 61.300 -0.003 0.000 1.313 180 I CB -2.001 35.994 38.000 -0.008 0.000 1.039 180 I HN 0.271 nan 8.210 nan 0.000 0.396 181 D N 0.720 121.123 120.400 0.005 0.000 2.191 181 D HA -0.181 4.470 4.640 0.019 0.000 0.195 181 D C 2.169 178.498 176.300 0.049 0.000 1.003 181 D CA 1.872 55.885 54.000 0.022 0.000 0.867 181 D CB -0.433 40.358 40.800 -0.014 0.000 0.926 181 D HN 0.340 nan 8.370 nan 0.000 0.450 182 T N 0.402 114.981 114.554 0.041 0.000 2.708 182 T HA -0.081 4.280 4.350 0.019 0.000 0.266 182 T C 2.179 176.924 174.700 0.075 0.000 1.037 182 T CA 0.663 62.792 62.100 0.047 0.000 1.146 182 T CB -0.233 68.653 68.868 0.029 0.000 0.865 182 T HN 0.185 nan 8.240 nan 0.000 0.435 183 I N 0.534 121.157 120.570 0.088 0.000 2.127 183 I HA -0.154 4.027 4.170 0.019 0.000 0.241 183 I C 2.335 178.599 176.117 0.245 0.000 1.075 183 I CA 1.410 62.801 61.300 0.152 0.000 1.334 183 I CB -0.411 37.650 38.000 0.102 0.000 1.040 183 I HN 0.192 nan 8.210 nan 0.000 0.405 184 I N 0.898 121.572 120.570 0.173 0.000 2.208 184 I HA -0.341 3.840 4.170 0.019 0.000 0.245 184 I C 2.230 178.460 176.117 0.188 0.000 1.097 184 I CA 1.749 63.163 61.300 0.190 0.000 1.363 184 I CB -0.442 37.637 38.000 0.132 0.000 1.051 184 I HN 0.339 nan 8.210 nan 0.000 0.413 185 N N 0.256 119.041 118.700 0.141 0.000 2.443 185 N HA -0.230 4.521 4.740 0.019 0.000 0.184 185 N C 1.791 177.415 175.510 0.191 0.000 1.037 185 N CA 0.887 54.015 53.050 0.130 0.000 0.896 185 N CB 0.125 38.688 38.487 0.126 0.000 0.959 185 N HN 0.159 nan 8.380 nan 0.000 0.442 186 Q N 0.628 120.517 119.800 0.149 0.000 2.230 186 Q HA -0.022 4.329 4.340 0.019 0.000 0.202 186 Q C 1.639 177.581 176.000 -0.096 0.000 0.963 186 Q CA 0.872 56.706 55.803 0.051 0.000 0.866 186 Q CB -0.204 28.388 28.738 -0.244 0.000 0.931 186 Q HN 0.391 nan 8.270 nan 0.000 0.452 187 K N 0.704 121.049 120.400 -0.092 0.000 2.160 187 K HA -0.220 4.111 4.320 0.019 0.000 0.206 187 K C 1.857 178.400 176.600 -0.094 0.000 1.047 187 K CA 1.446 57.708 56.287 -0.042 0.000 0.930 187 K CB -0.054 32.576 32.500 0.217 0.000 0.720 187 K HN 0.193 nan 8.250 nan 0.000 0.450 188 R N -0.138 120.260 120.500 -0.170 0.000 2.200 188 R HA -0.156 4.195 4.340 0.019 0.000 0.234 188 R C 1.096 177.092 176.300 -0.506 0.000 1.127 188 R CA 1.631 57.494 56.100 -0.394 0.000 0.989 188 R CB -0.244 29.730 30.300 -0.545 0.000 0.869 188 R HN 0.199 nan 8.270 nan 0.000 0.459 189 F N 0.269 120.121 119.950 -0.163 0.000 2.602 189 F HA 0.302 4.840 4.527 0.018 0.000 0.284 189 F C 1.817 177.498 175.800 -0.198 0.000 1.111 189 F CA -0.386 57.517 58.000 -0.161 0.000 1.405 189 F CB -0.419 38.478 39.000 -0.172 0.000 1.121 189 F HN -0.107 nan 8.300 nan 0.000 0.603 190 N N 0.522 119.171 118.700 -0.084 0.000 2.309 190 N HA -0.133 4.618 4.740 0.019 0.000 0.182 190 N C 0.680 176.142 175.510 -0.080 0.000 1.018 190 N CA 1.241 54.167 53.050 -0.206 0.000 0.876 190 N CB -0.320 37.872 38.487 -0.492 0.000 0.972 190 N HN 0.221 nan 8.380 nan 0.000 0.434 191 D N 0.053 120.420 120.400 -0.054 0.000 2.328 191 D HA 0.116 4.767 4.640 0.019 0.000 0.226 191 D C 0.983 177.268 176.300 -0.025 0.000 1.066 191 D CA 0.070 54.058 54.000 -0.019 0.000 0.861 191 D CB -0.070 40.721 40.800 -0.015 0.000 0.912 191 D HN 0.142 nan 8.370 nan 0.000 0.521 192 G N -0.740 108.044 108.800 -0.027 0.000 2.537 192 G HA2 0.289 4.260 3.960 0.019 0.000 0.297 192 G HA3 0.289 4.260 3.960 0.019 0.000 0.297 192 G C 1.066 175.968 174.900 0.003 0.000 1.310 192 G CA -0.169 44.920 45.100 -0.017 0.000 1.027 192 G HN 0.018 nan 8.290 nan 0.000 0.505 193 T N -0.355 114.204 114.554 0.008 0.000 2.781 193 T HA -0.004 4.357 4.350 0.019 0.000 0.252 193 T C 0.852 175.569 174.700 0.028 0.000 1.039 193 T CA 0.836 62.946 62.100 0.016 0.000 1.147 193 T CB -0.253 68.622 68.868 0.011 0.000 0.865 193 T HN 0.461 nan 8.240 nan 0.000 0.423 194 D N 2.203 122.623 120.400 0.033 0.000 2.412 194 D HA -0.007 4.644 4.640 0.019 0.000 0.257 194 D C 1.033 177.363 176.300 0.050 0.000 1.217 194 D CA -0.069 53.956 54.000 0.042 0.000 0.897 194 D CB 0.685 41.513 40.800 0.045 0.000 1.132 194 D HN 0.213 nan 8.370 nan 0.000 0.493 195 E N 3.410 123.644 120.200 0.057 0.000 2.347 195 E HA -0.122 4.239 4.350 0.019 0.000 0.196 195 E C 0.999 177.656 176.600 0.094 0.000 1.008 195 E CA 0.618 57.063 56.400 0.075 0.000 0.852 195 E CB -0.006 29.746 29.700 0.087 0.000 0.783 195 E HN 0.565 nan 8.360 nan 0.000 0.505 196 K N 0.566 121.022 120.400 0.093 0.000 2.444 196 K HA 0.099 4.430 4.320 0.019 0.000 0.193 196 K C 1.556 178.223 176.600 0.111 0.000 1.024 196 K CA 0.220 56.595 56.287 0.145 0.000 1.077 196 K CB 0.379 32.949 32.500 0.116 0.000 0.833 196 K HN -0.109 nan 8.250 nan 0.000 0.517 197 K N 0.712 121.139 120.400 0.044 0.000 2.373 197 K HA 0.122 4.453 4.320 0.019 0.000 0.202 197 K C -0.113 176.411 176.600 -0.126 0.000 1.025 197 K CA 0.123 56.388 56.287 -0.037 0.000 1.115 197 K CB 0.633 33.177 32.500 0.074 0.000 0.858 197 K HN 0.056 nan 8.250 nan 0.000 0.525 198 K N 0.758 121.109 120.400 -0.083 0.000 2.109 198 K HA 0.386 4.717 4.320 0.019 0.000 0.243 198 K C -0.750 175.682 176.600 -0.279 0.000 1.006 198 K CA -0.804 55.354 56.287 -0.215 0.000 0.917 198 K CB 1.032 33.378 32.500 -0.256 0.000 1.081 198 K HN -0.197 nan 8.250 nan 0.000 0.468 199 L N 2.189 123.134 121.223 -0.463 0.000 2.611 199 L HA 0.270 4.622 4.340 0.019 0.000 0.263 199 L C -1.793 174.801 176.870 -0.460 0.000 0.969 199 L CA -0.303 54.321 54.840 -0.359 0.000 0.894 199 L CB 0.851 42.715 42.059 -0.325 0.000 1.229 199 L HN 0.453 nan 8.230 nan 0.000 0.416 200 Y N 2.867 123.008 120.300 -0.265 0.000 2.335 200 Y HA 0.424 4.985 4.550 0.018 0.000 0.331 200 Y C 0.653 176.443 175.900 -0.182 0.000 1.094 200 Y CA -0.168 57.759 58.100 -0.288 0.000 1.253 200 Y CB 0.716 38.712 38.460 -0.772 0.000 1.203 200 Y HN 0.473 nan 8.280 nan 0.000 0.508 201 C N 4.603 123.971 119.300 0.112 0.000 2.370 201 C HA 0.697 5.168 4.460 0.019 0.000 0.354 201 C C -0.066 174.965 174.990 0.069 0.000 1.218 201 C CA -0.880 58.188 59.018 0.084 0.000 2.154 201 C CB -0.124 27.706 27.740 0.150 0.000 2.391 201 C HN 0.562 nan 8.230 nan 0.000 0.540 202 I N 1.997 122.587 120.570 0.034 0.000 2.498 202 I HA 0.334 4.515 4.170 0.019 0.000 0.290 202 I C -0.720 175.409 176.117 0.021 0.000 1.032 202 I CA -0.352 60.963 61.300 0.025 0.000 1.073 202 I CB 1.008 39.006 38.000 -0.004 0.000 1.251 202 I HN 0.632 nan 8.210 nan 0.000 0.426 203 Y N 6.566 126.820 120.300 -0.077 0.000 2.338 203 Y HA 0.707 5.267 4.550 0.017 0.000 0.328 203 Y C -1.077 174.775 175.900 -0.080 0.000 0.965 203 Y CA -0.922 57.126 58.100 -0.086 0.000 1.208 203 Y CB 1.203 39.633 38.460 -0.049 0.000 1.132 203 Y HN 0.326 nan 8.280 nan 0.000 0.469 204 V N 5.779 125.392 119.914 -0.502 0.000 2.407 204 V HA 0.746 4.877 4.120 0.019 0.000 0.278 204 V C 0.048 175.859 176.094 -0.473 0.000 1.037 204 V CA -0.530 61.562 62.300 -0.347 0.000 0.900 204 V CB 0.949 32.645 31.823 -0.212 0.000 0.983 204 V HN 0.899 nan 8.190 nan 0.000 0.459 205 A N 6.887 129.564 122.820 -0.239 0.000 2.287 205 A HA 0.890 5.221 4.320 0.019 0.000 0.317 205 A C -0.636 176.915 177.584 -0.055 0.000 1.220 205 A CA -0.486 51.468 52.037 -0.139 0.000 0.835 205 A CB 0.438 19.467 19.000 0.048 0.000 1.180 205 A HN 0.798 nan 8.150 nan 0.000 0.500 206 I N 1.810 122.354 120.570 -0.045 0.000 2.466 206 I HA 0.568 4.749 4.170 0.019 0.000 0.289 206 I C 1.163 177.294 176.117 0.022 0.000 1.026 206 I CA -0.232 61.066 61.300 -0.004 0.000 1.078 206 I CB 1.865 39.855 38.000 -0.016 0.000 1.249 206 I HN 0.968 nan 8.210 nan 0.000 0.429 207 G N 3.599 112.424 108.800 0.042 0.000 2.228 207 G HA2 -0.228 3.744 3.960 0.019 0.000 0.270 207 G HA3 -0.228 3.744 3.960 0.019 0.000 0.270 207 G C 0.495 175.424 174.900 0.047 0.000 0.976 207 G CA 0.065 45.195 45.100 0.050 0.000 0.636 207 G HN 0.604 nan 8.290 nan 0.000 0.542 208 Q N 0.019 119.848 119.800 0.048 0.000 2.697 208 Q HA 0.450 4.802 4.340 0.019 0.000 0.196 208 Q C 0.488 176.520 176.000 0.054 0.000 1.121 208 Q CA 0.151 55.988 55.803 0.057 0.000 1.151 208 Q CB 0.368 29.153 28.738 0.078 0.000 1.250 208 Q HN 0.456 nan 8.270 nan 0.000 0.658 209 K N 0.675 121.108 120.400 0.054 0.000 2.156 209 K HA 0.199 4.531 4.320 0.019 0.000 0.271 209 K C 1.309 177.937 176.600 0.047 0.000 0.995 209 K CA -0.359 55.955 56.287 0.046 0.000 0.890 209 K CB 0.970 33.495 32.500 0.042 0.000 1.073 209 K HN 0.368 nan 8.250 nan 0.000 0.454 210 R N 0.865 121.390 120.500 0.041 0.000 2.073 210 R HA -0.145 4.206 4.340 0.019 0.000 0.234 210 R C 1.779 178.099 176.300 0.033 0.000 1.134 210 R CA 1.809 57.932 56.100 0.039 0.000 0.952 210 R CB -0.517 29.802 30.300 0.032 0.000 0.850 210 R HN 0.628 nan 8.270 nan 0.000 0.433 211 S N 0.991 116.709 115.700 0.029 0.000 2.399 211 S HA -0.221 4.260 4.470 0.019 0.000 0.235 211 S C 1.999 176.615 174.600 0.026 0.000 1.063 211 S CA 2.289 60.504 58.200 0.024 0.000 1.070 211 S CB -0.813 62.401 63.200 0.024 0.000 0.904 211 S HN 0.408 nan 8.310 nan 0.000 0.456 212 T N 1.923 116.498 114.554 0.036 0.000 2.812 212 T HA 0.030 4.391 4.350 0.019 0.000 0.264 212 T C 1.986 176.709 174.700 0.037 0.000 1.042 212 T CA 1.171 63.295 62.100 0.040 0.000 1.140 212 T CB -0.496 68.406 68.868 0.056 0.000 0.870 212 T HN 0.295 nan 8.240 nan 0.000 0.445 213 V N 1.923 121.868 119.914 0.052 0.000 2.307 213 V HA -0.094 4.038 4.120 0.019 0.000 0.245 213 V C 2.992 179.095 176.094 0.015 0.000 1.045 213 V CA 1.524 63.857 62.300 0.055 0.000 1.024 213 V CB -1.297 30.578 31.823 0.086 0.000 0.651 213 V HN 0.519 nan 8.190 nan 0.000 0.449 214 A N -0.499 122.330 122.820 0.015 0.000 1.940 214 A HA -0.300 4.031 4.320 0.019 0.000 0.219 214 A C 2.161 179.738 177.584 -0.012 0.000 1.176 214 A CA 2.062 54.100 52.037 0.002 0.000 0.631 214 A CB -0.449 18.555 19.000 0.007 0.000 0.814 214 A HN 0.663 nan 8.150 nan 0.000 0.446 215 Q N -0.950 118.845 119.800 -0.009 0.000 2.331 215 Q HA 0.128 4.480 4.340 0.019 0.000 0.203 215 Q C 1.986 177.964 176.000 -0.037 0.000 0.944 215 Q CA 0.367 56.158 55.803 -0.019 0.000 0.892 215 Q CB -0.100 28.634 28.738 -0.005 0.000 0.983 215 Q HN 0.602 nan 8.270 nan 0.000 0.482 216 L N 1.058 122.255 121.223 -0.045 0.000 2.027 216 L HA -0.120 4.231 4.340 0.019 0.000 0.206 216 L C 2.355 179.157 176.870 -0.113 0.000 1.074 216 L CA 1.670 56.453 54.840 -0.094 0.000 0.745 216 L CB -0.538 41.436 42.059 -0.141 0.000 0.898 216 L HN 0.268 nan 8.230 nan 0.000 0.433 217 V N -2.004 117.858 119.914 -0.087 0.000 2.548 217 V HA -0.169 3.962 4.120 0.019 0.000 0.249 217 V C 2.650 178.697 176.094 -0.080 0.000 1.055 217 V CA 1.376 63.626 62.300 -0.085 0.000 1.065 217 V CB -0.668 31.122 31.823 -0.056 0.000 0.681 217 V HN 0.296 nan 8.190 nan 0.000 0.462 218 K N 1.348 121.708 120.400 -0.067 0.000 2.032 218 K HA -0.236 4.095 4.320 0.019 0.000 0.209 218 K C 2.393 178.938 176.600 -0.091 0.000 1.048 218 K CA 2.434 58.680 56.287 -0.068 0.000 0.927 218 K CB -0.658 31.807 32.500 -0.058 0.000 0.712 218 K HN 0.538 nan 8.250 nan 0.000 0.441 219 R N 0.813 121.251 120.500 -0.102 0.000 2.081 219 R HA 0.011 4.362 4.340 0.019 0.000 0.235 219 R C 2.408 178.637 176.300 -0.118 0.000 1.131 219 R CA 1.332 57.349 56.100 -0.138 0.000 0.960 219 R CB -0.596 29.630 30.300 -0.123 0.000 0.856 219 R HN 0.253 nan 8.270 nan 0.000 0.436 220 L N -0.728 120.430 121.223 -0.109 0.000 2.056 220 L HA -0.139 4.212 4.340 0.019 0.000 0.207 220 L C 2.213 179.004 176.870 -0.131 0.000 1.078 220 L CA 1.780 56.546 54.840 -0.124 0.000 0.749 220 L CB -0.692 41.278 42.059 -0.148 0.000 0.901 220 L HN 0.288 nan 8.230 nan 0.000 0.433 221 T N -0.576 113.911 114.554 -0.112 0.000 2.643 221 T HA -0.174 4.187 4.350 0.019 0.000 0.264 221 T C 1.362 176.010 174.700 -0.087 0.000 1.045 221 T CA 1.618 63.660 62.100 -0.096 0.000 1.155 221 T CB -0.206 68.617 68.868 -0.075 0.000 0.863 221 T HN 0.319 nan 8.240 nan 0.000 0.420 222 D N 1.270 121.617 120.400 -0.088 0.000 2.309 222 D HA 0.011 4.662 4.640 0.019 0.000 0.212 222 D C 1.647 177.900 176.300 -0.078 0.000 0.968 222 D CA 0.647 54.597 54.000 -0.082 0.000 0.882 222 D CB -0.194 40.548 40.800 -0.097 0.000 0.918 222 D HN 0.437 nan 8.370 nan 0.000 0.503 223 A N 0.216 122.987 122.820 -0.081 0.000 2.308 223 A HA 0.081 4.412 4.320 0.019 0.000 0.217 223 A C 0.383 177.942 177.584 -0.042 0.000 1.216 223 A CA 0.115 52.122 52.037 -0.051 0.000 0.864 223 A CB 0.178 19.160 19.000 -0.030 0.000 0.902 223 A HN -0.004 nan 8.150 nan 0.000 0.499 224 D N -2.226 118.130 120.400 -0.073 0.000 2.705 224 D HA -0.182 4.469 4.640 0.019 0.000 0.240 224 D C 0.605 176.823 176.300 -0.136 0.000 1.137 224 D CA 1.010 54.966 54.000 -0.074 0.000 0.677 224 D CB -1.202 39.587 40.800 -0.017 0.000 1.049 224 D HN 0.519 nan 8.370 nan 0.000 0.427 225 A N 0.157 122.786 122.820 -0.318 0.000 2.312 225 A HA 0.180 4.511 4.320 0.019 0.000 0.215 225 A C 2.007 179.034 177.584 -0.929 0.000 1.256 225 A CA 0.174 51.700 52.037 -0.850 0.000 0.966 225 A CB 0.109 18.852 19.000 -0.429 0.000 1.053 225 A HN 0.291 nan 8.150 nan 0.000 0.510 226 M N 1.255 120.601 119.600 -0.425 0.000 2.213 226 M HA -0.144 4.347 4.480 0.019 0.000 0.263 226 M C 1.977 178.141 176.300 -0.226 0.000 1.062 226 M CA 1.889 57.027 55.300 -0.271 0.000 1.105 226 M CB -0.911 31.599 32.600 -0.150 0.000 1.385 226 M HN 0.675 nan 8.290 nan 0.000 0.417 227 K N 0.585 120.852 120.400 -0.222 0.000 2.160 227 K HA -0.193 4.138 4.320 0.019 0.000 0.206 227 K C 0.901 177.519 176.600 0.029 0.000 1.047 227 K CA 1.871 58.124 56.287 -0.057 0.000 0.930 227 K CB -0.843 31.663 32.500 0.011 0.000 0.720 227 K HN 0.515 nan 8.250 nan 0.000 0.450 228 Y N -0.718 119.601 120.300 0.032 0.000 2.720 228 Y HA 0.512 5.073 4.550 0.019 0.000 0.268 228 Y C -0.604 175.323 175.900 0.045 0.000 1.142 228 Y CA -1.122 57.008 58.100 0.050 0.000 1.193 228 Y CB 0.030 38.458 38.460 -0.055 0.000 1.176 228 Y HN -0.214 nan 8.280 nan 0.000 0.542 229 T N 2.042 116.585 114.554 -0.019 0.000 2.893 229 T HA 0.640 5.001 4.350 0.019 0.000 0.291 229 T C -0.452 174.271 174.700 0.038 0.000 1.028 229 T CA -0.497 61.614 62.100 0.017 0.000 0.995 229 T CB 1.862 70.673 68.868 -0.094 0.000 1.051 229 T HN 0.180 nan 8.240 nan 0.000 0.470 230 I N 1.456 122.065 120.570 0.065 0.000 2.750 230 I HA 0.696 4.877 4.170 0.019 0.000 0.308 230 I C -0.814 175.338 176.117 0.058 0.000 1.016 230 I CA -1.141 60.194 61.300 0.059 0.000 1.098 230 I CB 2.054 40.099 38.000 0.076 0.000 1.279 230 I HN 0.203 nan 8.210 nan 0.000 0.454 231 V N 4.610 124.555 119.914 0.050 0.000 2.532 231 V HA 0.263 4.394 4.120 0.019 0.000 0.294 231 V C -0.444 175.681 176.094 0.051 0.000 1.036 231 V CA -0.603 61.745 62.300 0.081 0.000 0.876 231 V CB 1.902 33.779 31.823 0.091 0.000 1.012 231 V HN 0.375 nan 8.190 nan 0.000 0.432 232 V N 3.402 123.333 119.914 0.028 0.000 2.439 232 V HA 0.558 4.689 4.120 0.019 0.000 0.282 232 V C 0.379 176.477 176.094 0.007 0.000 1.039 232 V CA -0.126 62.175 62.300 0.002 0.000 0.913 232 V CB 1.697 33.505 31.823 -0.025 0.000 0.983 232 V HN 0.813 nan 8.190 nan 0.000 0.460 233 S N 3.159 118.868 115.700 0.016 0.000 2.519 233 S HA 0.765 5.246 4.470 0.019 0.000 0.309 233 S C -0.090 174.522 174.600 0.020 0.000 1.100 233 S CA -0.367 57.848 58.200 0.025 0.000 1.059 233 S CB 1.495 64.720 63.200 0.042 0.000 1.008 233 S HN 1.039 nan 8.310 nan 0.000 0.478 234 A N 3.342 126.174 122.820 0.020 0.000 2.646 234 A HA 0.605 4.936 4.320 0.019 0.000 0.312 234 A C 0.309 177.917 177.584 0.041 0.000 1.245 234 A CA -0.709 51.348 52.037 0.034 0.000 0.755 234 A CB 0.047 19.069 19.000 0.035 0.000 1.132 234 A HN 0.688 nan 8.150 nan 0.000 0.458 235 T N -1.471 113.110 114.554 0.045 0.000 2.849 235 T HA 0.590 4.951 4.350 0.019 0.000 0.276 235 T C 1.587 176.316 174.700 0.049 0.000 0.971 235 T CA 0.059 62.187 62.100 0.047 0.000 0.949 235 T CB 1.085 69.980 68.868 0.046 0.000 1.093 235 T HN 1.228 nan 8.240 nan 0.000 0.545 236 A N 0.159 123.007 122.820 0.047 0.000 2.104 236 A HA -0.101 4.230 4.320 0.019 0.000 0.223 236 A C 2.360 179.970 177.584 0.044 0.000 1.164 236 A CA 2.246 54.310 52.037 0.046 0.000 0.659 236 A CB -1.228 17.797 19.000 0.042 0.000 0.808 236 A HN 0.800 nan 8.150 nan 0.000 0.465 237 S N -0.980 114.745 115.700 0.042 0.000 2.539 237 S HA 0.110 4.591 4.470 0.019 0.000 0.221 237 S C -0.078 174.549 174.600 0.044 0.000 0.987 237 S CA -0.477 57.747 58.200 0.039 0.000 0.929 237 S CB -0.195 63.025 63.200 0.034 0.000 0.832 237 S HN 0.513 nan 8.310 nan 0.000 0.492 238 D N 2.398 122.830 120.400 0.053 0.000 2.304 238 D HA 0.424 5.075 4.640 0.019 0.000 0.247 238 D C 0.265 176.611 176.300 0.077 0.000 1.089 238 D CA 0.039 54.078 54.000 0.064 0.000 0.910 238 D CB 1.515 42.356 40.800 0.068 0.000 1.199 238 D HN 0.367 nan 8.370 nan 0.000 0.426 239 A N 1.439 124.309 122.820 0.083 0.000 2.561 239 A HA 0.242 4.573 4.320 0.019 0.000 0.234 239 A C 1.482 179.139 177.584 0.121 0.000 1.055 239 A CA 0.533 52.622 52.037 0.087 0.000 0.756 239 A CB 0.163 19.212 19.000 0.082 0.000 0.986 239 A HN 0.664 nan 8.150 nan 0.000 0.505 240 A N 3.592 126.478 122.820 0.110 0.000 1.903 240 A HA -0.127 4.204 4.320 0.019 0.000 0.219 240 A C -0.033 177.694 177.584 0.238 0.000 1.191 240 A CA 2.239 54.364 52.037 0.146 0.000 0.638 240 A CB -1.806 17.257 19.000 0.106 0.000 0.823 240 A HN 0.667 nan 8.150 nan 0.000 0.451 241 P HA -0.141 nan 4.420 nan 0.000 0.217 241 P C 1.334 178.927 177.300 0.489 0.000 1.148 241 P CA 0.999 64.334 63.100 0.393 0.000 0.828 241 P CB -0.157 31.657 31.700 0.190 0.000 0.783 242 L N -1.159 120.271 121.223 0.346 0.000 2.131 242 L HA -0.119 4.232 4.340 0.019 0.000 0.206 242 L C 2.662 179.629 176.870 0.162 0.000 1.087 242 L CA 1.334 56.321 54.840 0.244 0.000 0.767 242 L CB -1.043 41.120 42.059 0.173 0.000 0.917 242 L HN -0.051 nan 8.230 nan 0.000 0.441 243 Q N -0.868 119.036 119.800 0.173 0.000 2.124 243 Q HA -0.247 4.104 4.340 0.019 0.000 0.202 243 Q C 2.135 178.231 176.000 0.160 0.000 0.977 243 Q CA 1.831 57.714 55.803 0.134 0.000 0.850 243 Q CB -0.365 28.453 28.738 0.133 0.000 0.901 243 Q HN 0.486 nan 8.270 nan 0.000 0.429 244 Y N 1.433 121.821 120.300 0.146 0.000 2.114 244 Y HA -0.254 4.306 4.550 0.016 0.000 0.284 244 Y C 1.953 177.968 175.900 0.192 0.000 1.143 244 Y CA 1.264 59.468 58.100 0.173 0.000 1.135 244 Y CB -0.592 38.012 38.460 0.240 0.000 0.980 244 Y HN 0.073 nan 8.280 nan 0.000 0.499 245 L N 1.061 122.146 121.223 -0.230 0.000 2.017 245 L HA -0.065 4.286 4.340 0.019 0.000 0.208 245 L C 2.655 179.446 176.870 -0.132 0.000 1.073 245 L CA 2.127 56.818 54.840 -0.248 0.000 0.745 245 L CB -1.586 40.410 42.059 -0.104 0.000 0.894 245 L HN 0.376 nan 8.230 nan 0.000 0.432 246 A N 0.487 123.253 122.820 -0.091 0.000 1.916 246 A HA -0.300 4.031 4.320 0.019 0.000 0.224 246 A C 0.026 177.546 177.584 -0.106 0.000 1.366 246 A CA 2.875 54.864 52.037 -0.080 0.000 0.692 246 A CB -2.589 16.384 19.000 -0.044 0.000 0.841 246 A HN 0.510 nan 8.150 nan 0.000 0.480 247 P HA -0.142 nan 4.420 nan 0.000 0.218 247 P C 0.999 178.164 177.300 -0.224 0.000 1.149 247 P CA 1.452 64.440 63.100 -0.187 0.000 0.817 247 P CB -0.294 31.109 31.700 -0.495 0.000 0.785 248 Y N 0.372 120.611 120.300 -0.102 0.000 2.200 248 Y HA -0.088 4.472 4.550 0.017 0.000 0.290 248 Y C 2.844 178.708 175.900 -0.061 0.000 1.137 248 Y CA 1.229 59.264 58.100 -0.108 0.000 1.163 248 Y CB -1.428 36.912 38.460 -0.201 0.000 0.988 248 Y HN -0.071 nan 8.280 nan 0.000 0.518 249 S N -0.074 115.656 115.700 0.050 0.000 2.354 249 S HA -0.201 4.280 4.470 0.019 0.000 0.219 249 S C 2.492 177.099 174.600 0.013 0.000 1.035 249 S CA 1.438 59.640 58.200 0.002 0.000 1.037 249 S CB -1.204 61.970 63.200 -0.043 0.000 0.956 249 S HN 0.639 nan 8.310 nan 0.000 0.428 250 G N 0.287 109.090 108.800 0.004 0.000 2.505 250 G HA2 -0.338 3.633 3.960 0.019 0.000 0.220 250 G HA3 -0.338 3.633 3.960 0.019 0.000 0.220 250 G C 1.780 176.699 174.900 0.032 0.000 1.145 250 G CA 1.265 46.364 45.100 -0.002 0.000 0.761 250 G HN 0.600 nan 8.290 nan 0.000 0.571 251 C N 0.346 119.700 119.300 0.090 0.000 2.413 251 C HA -0.043 4.428 4.460 0.019 0.000 0.276 251 C C 3.259 178.305 174.990 0.094 0.000 1.236 251 C CA 1.785 60.877 59.018 0.124 0.000 1.735 251 C CB -1.057 26.792 27.740 0.182 0.000 2.031 251 C HN 0.367 nan 8.230 nan 0.000 0.474 252 S N 0.446 116.191 115.700 0.074 0.000 2.383 252 S HA -0.195 4.286 4.470 0.019 0.000 0.229 252 S C 1.749 176.381 174.600 0.053 0.000 1.030 252 S CA 2.171 60.403 58.200 0.054 0.000 1.002 252 S CB -0.358 62.859 63.200 0.028 0.000 0.829 252 S HN 0.681 nan 8.310 nan 0.000 0.467 253 M N 0.574 120.202 119.600 0.047 0.000 2.117 253 M HA -0.045 4.446 4.480 0.019 0.000 0.262 253 M C 2.504 178.915 176.300 0.185 0.000 1.065 253 M CA 1.560 56.892 55.300 0.054 0.000 1.114 253 M CB -0.942 31.690 32.600 0.054 0.000 1.361 253 M HN 0.428 nan 8.290 nan 0.000 0.408 254 G N 0.064 108.981 108.800 0.195 0.000 2.432 254 G HA2 -0.180 3.791 3.960 0.019 0.000 0.219 254 G HA3 -0.180 3.791 3.960 0.019 0.000 0.219 254 G C 1.369 176.434 174.900 0.275 0.000 1.135 254 G CA 0.630 45.904 45.100 0.289 0.000 0.767 254 G HN 0.498 nan 8.290 nan 0.000 0.550 255 E N -0.724 119.572 120.200 0.160 0.000 2.150 255 E HA -0.131 4.230 4.350 0.019 0.000 0.193 255 E C 1.913 178.559 176.600 0.076 0.000 0.985 255 E CA 0.667 57.131 56.400 0.107 0.000 0.814 255 E CB -0.213 29.530 29.700 0.070 0.000 0.752 255 E HN 0.634 nan 8.360 nan 0.000 0.466 256 Y N 0.719 120.947 120.300 -0.119 0.000 2.097 256 Y HA -0.312 4.250 4.550 0.020 0.000 0.282 256 Y C 1.709 177.439 175.900 -0.284 0.000 1.152 256 Y CA 1.781 59.714 58.100 -0.278 0.000 1.136 256 Y CB -0.576 37.599 38.460 -0.474 0.000 0.975 256 Y HN -0.063 nan 8.280 nan 0.000 0.498 257 F N 0.564 120.568 119.950 0.091 0.000 2.095 257 F HA -0.196 4.341 4.527 0.018 0.000 0.298 257 F C 2.845 178.572 175.800 -0.121 0.000 1.104 257 F CA 2.056 60.007 58.000 -0.082 0.000 1.232 257 F CB -1.008 38.019 39.000 0.045 0.000 0.987 257 F HN -0.031 nan 8.300 nan 0.000 0.475 258 R N 0.604 121.182 120.500 0.130 0.000 2.096 258 R HA -0.201 4.150 4.340 0.019 0.000 0.240 258 R C 1.650 177.936 176.300 -0.023 0.000 1.139 258 R CA 2.158 58.290 56.100 0.054 0.000 0.952 258 R CB -0.522 29.821 30.300 0.071 0.000 0.854 258 R HN 0.174 nan 8.270 nan 0.000 0.436 259 D N 0.139 120.503 120.400 -0.060 0.000 2.310 259 D HA -0.075 4.576 4.640 0.019 0.000 0.212 259 D C -0.016 176.195 176.300 -0.148 0.000 0.965 259 D CA 0.993 54.943 54.000 -0.083 0.000 0.879 259 D CB -0.132 40.622 40.800 -0.076 0.000 0.921 259 D HN 0.370 nan 8.370 nan 0.000 0.510 260 N N -0.687 117.865 118.700 -0.246 0.000 2.761 260 N HA 0.335 5.086 4.740 0.019 0.000 0.317 260 N C 0.772 176.178 175.510 -0.173 0.000 1.546 260 N CA 0.002 52.900 53.050 -0.254 0.000 1.015 260 N CB 1.178 39.402 38.487 -0.437 0.000 1.343 260 N HN -0.048 nan 8.380 nan 0.000 0.504 261 G N 0.286 109.008 108.800 -0.131 0.000 2.200 261 G HA2 -0.376 3.595 3.960 0.019 0.000 0.268 261 G HA3 -0.376 3.595 3.960 0.019 0.000 0.268 261 G C 0.338 175.103 174.900 -0.225 0.000 0.986 261 G CA 0.817 45.831 45.100 -0.143 0.000 0.677 261 G HN 0.381 nan 8.290 nan 0.000 0.532 262 K N -0.657 119.632 120.400 -0.185 0.000 2.419 262 K HA 0.598 4.929 4.320 0.019 0.000 0.246 262 K C -0.423 176.024 176.600 -0.254 0.000 1.037 262 K CA -0.848 55.372 56.287 -0.113 0.000 0.982 262 K CB 0.712 33.312 32.500 0.167 0.000 1.283 262 K HN 0.266 nan 8.250 nan 0.000 0.500 263 H N -0.379 118.806 119.070 0.191 0.000 2.823 263 H HA 0.411 4.978 4.556 0.018 0.000 0.332 263 H C -1.005 174.375 175.328 0.087 0.000 0.980 263 H CA -0.570 55.537 56.048 0.099 0.000 1.286 263 H CB 1.702 31.465 29.762 0.003 0.000 1.541 263 H HN 0.691 nan 8.280 nan 0.000 0.521 264 A N 2.930 125.863 122.820 0.189 0.000 2.322 264 A HA 0.648 4.980 4.320 0.019 0.000 0.327 264 A C -1.102 176.506 177.584 0.040 0.000 1.134 264 A CA -0.705 51.379 52.037 0.077 0.000 0.831 264 A CB 1.663 20.734 19.000 0.118 0.000 1.288 264 A HN 0.446 nan 8.150 nan 0.000 0.472 265 L N 1.130 122.351 121.223 -0.003 0.000 2.376 265 L HA 0.725 5.076 4.340 0.019 0.000 0.275 265 L C -1.060 175.774 176.870 -0.059 0.000 0.987 265 L CA -0.296 54.527 54.840 -0.028 0.000 0.828 265 L CB 1.242 43.281 42.059 -0.033 0.000 1.249 265 L HN 0.673 nan 8.230 nan 0.000 0.409 266 I N 5.448 125.942 120.570 -0.127 0.000 2.474 266 I HA 0.542 4.723 4.170 0.019 0.000 0.294 266 I C -1.125 174.752 176.117 -0.401 0.000 1.005 266 I CA -0.537 60.584 61.300 -0.298 0.000 1.113 266 I CB 1.424 39.164 38.000 -0.433 0.000 1.289 266 I HN 0.608 nan 8.210 nan 0.000 0.436 267 I N 7.885 128.202 120.570 -0.421 0.000 2.411 267 I HA 0.237 4.418 4.170 0.019 0.000 0.284 267 I C -1.322 174.486 176.117 -0.515 0.000 1.012 267 I CA -0.471 60.626 61.300 -0.339 0.000 1.119 267 I CB 1.045 39.007 38.000 -0.063 0.000 1.261 267 I HN 0.422 nan 8.210 nan 0.000 0.448 268 Y N 4.452 124.618 120.300 -0.224 0.000 2.454 268 Y HA 0.314 4.874 4.550 0.017 0.000 0.345 268 Y C 0.130 175.871 175.900 -0.265 0.000 0.970 268 Y CA -0.661 57.275 58.100 -0.273 0.000 1.204 268 Y CB 0.409 38.714 38.460 -0.258 0.000 1.122 268 Y HN 0.389 nan 8.280 nan 0.000 0.514 269 D N 3.689 123.960 120.400 -0.215 0.000 2.462 269 D HA 0.241 4.892 4.640 0.019 0.000 0.245 269 D C -1.260 174.982 176.300 -0.097 0.000 1.122 269 D CA -0.407 53.501 54.000 -0.153 0.000 0.864 269 D CB 0.845 41.505 40.800 -0.234 0.000 1.098 269 D HN 0.600 nan 8.370 nan 0.000 0.541 270 D N 2.066 122.438 120.400 -0.048 0.000 2.374 270 D HA 0.310 4.961 4.640 0.019 0.000 0.239 270 D C 1.328 177.586 176.300 -0.070 0.000 0.991 270 D CA -0.692 53.280 54.000 -0.046 0.000 0.960 270 D CB 2.021 42.810 40.800 -0.019 0.000 1.284 270 D HN 0.147 nan 8.370 nan 0.000 0.512 271 L N 0.282 121.428 121.223 -0.129 0.000 2.418 271 L HA -0.006 4.345 4.340 0.019 0.000 0.218 271 L C 1.890 178.732 176.870 -0.047 0.000 1.125 271 L CA 0.373 55.078 54.840 -0.224 0.000 0.835 271 L CB -0.141 41.566 42.059 -0.586 0.000 0.953 271 L HN 0.355 nan 8.230 nan 0.000 0.454 272 S N 0.551 116.242 115.700 -0.016 0.000 2.351 272 S HA -0.197 4.284 4.470 0.019 0.000 0.220 272 S C 1.902 176.560 174.600 0.097 0.000 1.035 272 S CA 1.504 59.733 58.200 0.048 0.000 1.031 272 S CB -0.072 63.151 63.200 0.039 0.000 0.928 272 S HN 0.400 nan 8.310 nan 0.000 0.433 273 K N 0.991 121.436 120.400 0.074 0.000 2.211 273 K HA -0.076 4.255 4.320 0.019 0.000 0.203 273 K C 2.362 179.035 176.600 0.122 0.000 1.050 273 K CA 0.723 57.067 56.287 0.094 0.000 0.945 273 K CB -0.148 32.393 32.500 0.068 0.000 0.732 273 K HN 0.416 nan 8.250 nan 0.000 0.451 274 Q N 1.169 121.035 119.800 0.110 0.000 2.079 274 Q HA -0.133 4.218 4.340 0.019 0.000 0.200 274 Q C 2.118 178.264 176.000 0.243 0.000 0.974 274 Q CA 1.368 57.264 55.803 0.154 0.000 0.840 274 Q CB -0.089 28.703 28.738 0.089 0.000 0.898 274 Q HN 0.303 nan 8.270 nan 0.000 0.430 275 A N 0.813 123.781 122.820 0.246 0.000 1.908 275 A HA -0.183 4.148 4.320 0.019 0.000 0.218 275 A C 2.184 180.000 177.584 0.387 0.000 1.181 275 A CA 2.078 54.265 52.037 0.251 0.000 0.627 275 A CB -1.108 17.952 19.000 0.100 0.000 0.818 275 A HN 0.466 nan 8.150 nan 0.000 0.445 276 V N -2.759 117.346 119.914 0.319 0.000 2.667 276 V HA 0.062 4.193 4.120 0.019 0.000 0.252 276 V C 2.430 178.624 176.094 0.168 0.000 1.065 276 V CA 1.688 64.135 62.300 0.246 0.000 1.083 276 V CB -1.258 30.661 31.823 0.161 0.000 0.692 276 V HN 0.524 nan 8.190 nan 0.000 0.468 277 A N -0.292 122.643 122.820 0.191 0.000 1.873 277 A HA -0.162 4.169 4.320 0.019 0.000 0.215 277 A C 2.201 179.899 177.584 0.191 0.000 1.186 277 A CA 1.916 54.060 52.037 0.178 0.000 0.616 277 A CB -1.009 18.120 19.000 0.216 0.000 0.823 277 A HN 0.730 nan 8.150 nan 0.000 0.442 278 Y N 0.702 121.055 120.300 0.088 0.000 2.224 278 Y HA -0.172 4.388 4.550 0.017 0.000 0.289 278 Y C 2.451 178.338 175.900 -0.023 0.000 1.146 278 Y CA 1.814 59.894 58.100 -0.033 0.000 1.182 278 Y CB -0.412 38.039 38.460 -0.015 0.000 0.983 278 Y HN 0.382 nan 8.280 nan 0.000 0.524 279 R N 0.283 120.780 120.500 -0.005 0.000 2.092 279 R HA -0.203 4.149 4.340 0.019 0.000 0.231 279 R C 2.402 178.609 176.300 -0.155 0.000 1.119 279 R CA 1.673 57.696 56.100 -0.129 0.000 0.970 279 R CB -0.457 29.790 30.300 -0.088 0.000 0.864 279 R HN 0.548 nan 8.270 nan 0.000 0.440 280 Q N 0.449 120.205 119.800 -0.074 0.000 2.096 280 Q HA -0.210 4.141 4.340 0.019 0.000 0.204 280 Q C 2.049 177.988 176.000 -0.102 0.000 0.982 280 Q CA 2.103 57.864 55.803 -0.070 0.000 0.850 280 Q CB -0.079 28.648 28.738 -0.019 0.000 0.901 280 Q HN 0.440 nan 8.270 nan 0.000 0.422 281 M N 0.006 119.534 119.600 -0.120 0.000 2.065 281 M HA -0.178 4.313 4.480 0.019 0.000 0.259 281 M C 2.378 178.549 176.300 -0.216 0.000 1.069 281 M CA 1.878 57.088 55.300 -0.150 0.000 1.110 281 M CB -0.158 32.355 32.600 -0.144 0.000 1.328 281 M HN 0.137 nan 8.290 nan 0.000 0.405 282 S N 0.888 116.368 115.700 -0.366 0.000 2.370 282 S HA -0.098 4.383 4.470 0.019 0.000 0.226 282 S C 1.899 176.384 174.600 -0.192 0.000 1.033 282 S CA 1.219 59.218 58.200 -0.335 0.000 1.011 282 S CB -0.588 62.324 63.200 -0.480 0.000 0.852 282 S HN 0.395 nan 8.310 nan 0.000 0.457 283 L N 0.873 121.998 121.223 -0.162 0.000 2.093 283 L HA -0.025 4.326 4.340 0.019 0.000 0.208 283 L C 2.196 179.012 176.870 -0.090 0.000 1.085 283 L CA 0.937 55.710 54.840 -0.112 0.000 0.755 283 L CB -0.629 41.368 42.059 -0.103 0.000 0.904 283 L HN 0.288 nan 8.230 nan 0.000 0.435 284 L N -0.501 120.668 121.223 -0.091 0.000 2.201 284 L HA -0.177 4.174 4.340 0.019 0.000 0.212 284 L C 2.266 179.096 176.870 -0.067 0.000 1.105 284 L CA 0.890 55.688 54.840 -0.070 0.000 0.775 284 L CB -0.264 41.758 42.059 -0.062 0.000 0.913 284 L HN 0.274 nan 8.230 nan 0.000 0.440 285 L N -0.752 120.422 121.223 -0.082 0.000 2.552 285 L HA 0.028 4.379 4.340 0.019 0.000 0.227 285 L C 0.889 177.726 176.870 -0.054 0.000 1.146 285 L CA 0.380 55.181 54.840 -0.065 0.000 0.858 285 L CB -0.062 41.952 42.059 -0.075 0.000 0.969 285 L HN 0.239 nan 8.230 nan 0.000 0.451 286 R N -0.476 119.989 120.500 -0.060 0.000 3.762 286 R HA -0.128 4.223 4.340 0.019 0.000 0.328 286 R C -0.071 176.201 176.300 -0.047 0.000 1.164 286 R CA 0.213 56.284 56.100 -0.049 0.000 0.861 286 R CB -1.636 28.643 30.300 -0.035 0.000 1.408 286 R HN 0.318 nan 8.270 nan 0.000 0.502 287 R N 1.885 122.349 120.500 -0.061 0.000 2.438 287 R HA 0.178 4.529 4.340 0.019 0.000 0.287 287 R C -1.973 174.302 176.300 -0.041 0.000 1.077 287 R CA -1.542 54.529 56.100 -0.048 0.000 1.034 287 R CB 0.293 30.557 30.300 -0.060 0.000 0.993 287 R HN -0.092 nan 8.270 nan 0.000 0.459 288 P HA -0.063 nan 4.420 nan 0.000 0.255 288 P C -2.363 174.931 177.300 -0.010 0.000 1.161 288 P CA -0.594 62.497 63.100 -0.014 0.000 0.768 288 P CB -0.207 31.492 31.700 -0.003 0.000 0.746 289 P HA 0.207 nan 4.420 nan 0.000 0.276 289 P C 0.391 177.697 177.300 0.010 0.000 1.230 289 P CA 0.218 63.310 63.100 -0.014 0.000 0.776 289 P CB 1.240 32.918 31.700 -0.038 0.000 0.888 290 G N 2.375 111.203 108.800 0.048 0.000 3.286 290 G HA2 0.325 4.297 3.960 0.019 0.000 0.166 290 G HA3 0.325 4.297 3.960 0.019 0.000 0.166 290 G C -0.506 174.408 174.900 0.023 0.000 1.155 290 G CA -0.844 44.276 45.100 0.033 0.000 0.871 290 G HN 0.544 nan 8.290 nan 0.000 0.637 291 R N 0.700 121.163 120.500 -0.061 0.000 2.523 291 R HA 0.032 4.383 4.340 0.019 0.000 0.281 291 R C 0.116 176.489 176.300 0.122 0.000 0.969 291 R CA 1.115 57.134 56.100 -0.135 0.000 1.093 291 R CB -0.287 29.631 30.300 -0.636 0.000 0.917 291 R HN 0.680 nan 8.270 nan 0.000 0.408 292 E N 2.583 122.855 120.200 0.121 0.000 2.660 292 E HA -0.346 4.015 4.350 0.019 0.000 0.260 292 E C 0.366 176.969 176.600 0.006 0.000 1.122 292 E CA 0.513 57.009 56.400 0.159 0.000 0.755 292 E CB -1.165 28.764 29.700 0.381 0.000 1.345 292 E HN 0.880 nan 8.360 nan 0.000 0.421 293 A N -2.359 120.456 122.820 -0.009 0.000 3.413 293 A HA -0.308 4.023 4.320 0.019 0.000 0.268 293 A C 0.058 177.575 177.584 -0.111 0.000 1.128 293 A CA 1.787 53.772 52.037 -0.088 0.000 1.062 293 A CB -1.965 16.947 19.000 -0.146 0.000 1.121 293 A HN 0.430 nan 8.150 nan 0.000 0.895 294 Y N 0.901 121.273 120.300 0.120 0.000 2.346 294 Y HA 0.431 4.991 4.550 0.018 0.000 0.330 294 Y C -1.356 174.612 175.900 0.113 0.000 1.178 294 Y CA -1.228 56.950 58.100 0.130 0.000 1.331 294 Y CB 0.368 38.960 38.460 0.219 0.000 1.253 294 Y HN 0.239 nan 8.280 nan 0.000 0.529 295 P HA -0.007 nan 4.420 nan 0.000 0.269 295 P C 0.668 178.089 177.300 0.201 0.000 1.215 295 P CA 0.177 63.342 63.100 0.108 0.000 0.780 295 P CB 0.902 32.579 31.700 -0.038 0.000 0.898 296 G N 2.124 111.021 108.800 0.161 0.000 2.499 296 G HA2 -0.237 3.734 3.960 0.019 0.000 0.221 296 G HA3 -0.237 3.734 3.960 0.019 0.000 0.221 296 G C 0.722 175.752 174.900 0.217 0.000 1.109 296 G CA 0.730 45.938 45.100 0.179 0.000 0.749 296 G HN 0.640 nan 8.290 nan 0.000 0.568 297 D N 0.733 121.276 120.400 0.237 0.000 2.368 297 D HA -0.003 4.648 4.640 0.019 0.000 0.218 297 D C 2.173 178.646 176.300 0.287 0.000 1.112 297 D CA 0.427 54.602 54.000 0.293 0.000 0.834 297 D CB -0.366 40.626 40.800 0.320 0.000 0.953 297 D HN 0.317 nan 8.370 nan 0.000 0.505 298 V N -1.927 118.123 119.914 0.226 0.000 2.867 298 V HA -0.134 3.997 4.120 0.019 0.000 0.260 298 V C 2.160 178.177 176.094 -0.129 0.000 1.099 298 V CA 0.944 63.259 62.300 0.026 0.000 1.122 298 V CB -1.528 30.216 31.823 -0.131 0.000 0.708 298 V HN 0.159 nan 8.190 nan 0.000 0.490 299 F N 0.876 120.772 119.950 -0.089 0.000 2.206 299 F HA -0.058 4.481 4.527 0.019 0.000 0.298 299 F C 2.228 178.043 175.800 0.026 0.000 1.090 299 F CA 1.507 59.463 58.000 -0.074 0.000 1.323 299 F CB -0.440 38.564 39.000 0.007 0.000 1.028 299 F HN 0.179 nan 8.300 nan 0.000 0.492 300 Y N 0.735 120.997 120.300 -0.063 0.000 2.314 300 Y HA -0.102 4.460 4.550 0.019 0.000 0.293 300 Y C 2.072 177.855 175.900 -0.194 0.000 1.129 300 Y CA 1.315 59.312 58.100 -0.171 0.000 1.201 300 Y CB -0.756 37.725 38.460 0.035 0.000 0.999 300 Y HN 0.218 nan 8.280 nan 0.000 0.541 301 L N -0.068 120.988 121.223 -0.278 0.000 2.089 301 L HA -0.291 4.060 4.340 0.019 0.000 0.213 301 L C 2.056 178.812 176.870 -0.189 0.000 1.079 301 L CA 2.381 57.017 54.840 -0.339 0.000 0.758 301 L CB -0.741 41.043 42.059 -0.458 0.000 0.891 301 L HN 0.405 nan 8.230 nan 0.000 0.433 302 H N -2.233 116.649 119.070 -0.313 0.000 2.418 302 H HA 0.016 4.583 4.556 0.018 0.000 0.300 302 H C 2.317 177.404 175.328 -0.401 0.000 1.041 302 H CA 0.707 56.542 56.048 -0.356 0.000 1.364 302 H CB 0.068 29.637 29.762 -0.323 0.000 1.439 302 H HN 0.472 nan 8.280 nan 0.000 0.540 303 S N 1.958 117.393 115.700 -0.442 0.000 2.368 303 S HA -0.245 4.236 4.470 0.019 0.000 0.225 303 S C 2.107 176.597 174.600 -0.183 0.000 1.030 303 S CA 1.260 59.228 58.200 -0.386 0.000 0.999 303 S CB -0.369 62.490 63.200 -0.568 0.000 0.844 303 S HN 0.504 nan 8.310 nan 0.000 0.459 304 R N 1.224 121.593 120.500 -0.217 0.000 2.080 304 R HA -0.059 4.292 4.340 0.019 0.000 0.236 304 R C 2.322 178.575 176.300 -0.079 0.000 1.137 304 R CA 1.476 57.476 56.100 -0.167 0.000 0.943 304 R CB -1.123 28.916 30.300 -0.435 0.000 0.846 304 R HN 0.401 nan 8.270 nan 0.000 0.431 305 L N 1.616 122.803 121.223 -0.059 0.000 1.956 305 L HA -0.133 4.219 4.340 0.019 0.000 0.216 305 L C 2.292 179.086 176.870 -0.127 0.000 1.073 305 L CA 1.766 56.552 54.840 -0.090 0.000 0.762 305 L CB -0.553 41.289 42.059 -0.362 0.000 0.889 305 L HN 0.273 nan 8.230 nan 0.000 0.433 306 L N -0.397 120.723 121.223 -0.171 0.000 2.549 306 L HA -0.089 4.262 4.340 0.019 0.000 0.229 306 L C 2.332 179.178 176.870 -0.039 0.000 1.158 306 L CA 0.409 55.188 54.840 -0.100 0.000 0.842 306 L CB -0.627 41.355 42.059 -0.129 0.000 0.952 306 L HN 0.377 nan 8.230 nan 0.000 0.452 307 E N 0.430 120.609 120.200 -0.034 0.000 2.285 307 E HA -0.107 4.254 4.350 0.019 0.000 0.194 307 E C 2.104 178.708 176.600 0.007 0.000 0.997 307 E CA 0.544 56.939 56.400 -0.007 0.000 0.845 307 E CB 0.140 29.841 29.700 0.002 0.000 0.782 307 E HN 0.514 nan 8.360 nan 0.000 0.491 308 R N 0.723 121.232 120.500 0.015 0.000 2.235 308 R HA 0.053 4.404 4.340 0.019 0.000 0.213 308 R C 1.060 177.386 176.300 0.044 0.000 1.059 308 R CA 0.433 56.553 56.100 0.032 0.000 0.997 308 R CB -0.062 30.268 30.300 0.050 0.000 0.884 308 R HN -0.066 nan 8.270 nan 0.000 0.462 309 A N 1.164 124.013 122.820 0.048 0.000 2.425 309 A HA 0.599 4.930 4.320 0.019 0.000 0.249 309 A C -0.056 177.547 177.584 0.032 0.000 1.084 309 A CA 0.247 52.315 52.037 0.052 0.000 0.781 309 A CB 0.449 19.482 19.000 0.054 0.000 1.019 309 A HN 0.321 nan 8.150 nan 0.000 0.490 310 A N 1.364 124.205 122.820 0.034 0.000 2.569 310 A HA 0.607 4.938 4.320 0.019 0.000 0.292 310 A C -1.045 176.560 177.584 0.034 0.000 1.032 310 A CA -0.635 51.415 52.037 0.021 0.000 0.669 310 A CB 0.797 19.800 19.000 0.005 0.000 1.290 310 A HN 1.115 nan 8.150 nan 0.000 0.422 311 K N 2.211 122.627 120.400 0.026 0.000 2.389 311 K HA 0.614 4.945 4.320 0.019 0.000 0.261 311 K C -0.342 176.278 176.600 0.033 0.000 1.014 311 K CA -0.430 55.885 56.287 0.046 0.000 0.920 311 K CB 0.283 32.806 32.500 0.038 0.000 1.149 311 K HN 0.641 nan 8.250 nan 0.000 0.444 312 M N 2.453 122.081 119.600 0.046 0.000 2.202 312 M HA 0.203 4.694 4.480 0.019 0.000 0.316 312 M C 0.457 176.808 176.300 0.084 0.000 1.138 312 M CA -0.429 54.895 55.300 0.041 0.000 1.151 312 M CB 0.082 32.723 32.600 0.068 0.000 1.422 312 M HN 0.717 nan 8.290 nan 0.000 0.471 313 N N 0.167 118.942 118.700 0.125 0.000 2.491 313 N HA 0.214 4.965 4.740 0.019 0.000 0.279 313 N C 0.033 175.636 175.510 0.156 0.000 1.236 313 N CA -0.528 52.603 53.050 0.135 0.000 0.982 313 N CB 0.369 38.940 38.487 0.141 0.000 1.194 313 N HN 0.374 nan 8.380 nan 0.000 0.582 314 D N -0.221 120.241 120.400 0.104 0.000 2.116 314 D HA -0.177 4.474 4.640 0.019 0.000 0.193 314 D C 1.675 177.997 176.300 0.037 0.000 0.998 314 D CA 2.174 56.211 54.000 0.063 0.000 0.836 314 D CB -0.846 39.977 40.800 0.038 0.000 0.951 314 D HN 0.720 nan 8.370 nan 0.000 0.449 315 A N -0.543 122.299 122.820 0.036 0.000 2.186 315 A HA -0.139 4.192 4.320 0.019 0.000 0.219 315 A C 1.195 178.550 177.584 -0.382 0.000 1.159 315 A CA 0.917 52.869 52.037 -0.141 0.000 0.680 315 A CB -0.591 18.327 19.000 -0.137 0.000 0.787 315 A HN 0.209 nan 8.150 nan 0.000 0.467 316 F N -2.184 117.759 119.950 -0.012 0.000 2.724 316 F HA 0.439 4.977 4.527 0.018 0.000 0.310 316 F C 1.589 177.369 175.800 -0.032 0.000 1.107 316 F CA 0.364 58.352 58.000 -0.020 0.000 1.218 316 F CB 0.775 39.766 39.000 -0.014 0.000 1.042 316 F HN 0.281 nan 8.300 nan 0.000 0.540 317 G N -0.480 108.361 108.800 0.068 0.000 2.278 317 G HA2 -0.049 3.922 3.960 0.019 0.000 0.210 317 G HA3 -0.049 3.922 3.960 0.019 0.000 0.210 317 G C 1.341 176.250 174.900 0.014 0.000 1.000 317 G CA -0.064 45.045 45.100 0.015 0.000 0.635 317 G HN 1.000 nan 8.290 nan 0.000 0.495 318 G N -0.190 108.646 108.800 0.061 0.000 2.189 318 G HA2 0.112 4.083 3.960 0.019 0.000 0.267 318 G HA3 0.112 4.083 3.960 0.019 0.000 0.267 318 G C 1.739 176.669 174.900 0.049 0.000 0.975 318 G CA 1.261 46.403 45.100 0.069 0.000 0.644 318 G HN 2.149 nan 8.290 nan 0.000 0.537 319 G N -0.388 108.384 108.800 -0.046 0.000 2.647 319 G HA2 0.617 4.588 3.960 0.019 0.000 0.271 319 G HA3 0.617 4.588 3.960 0.019 0.000 0.271 319 G C 0.389 175.315 174.900 0.042 0.000 1.300 319 G CA 1.325 46.318 45.100 -0.178 0.000 0.997 319 G HN 2.035 nan 8.290 nan 0.000 0.533 320 S N -2.130 113.643 115.700 0.122 0.000 2.595 320 S HA 0.516 4.997 4.470 0.019 0.000 0.270 320 S C -1.778 172.924 174.600 0.171 0.000 1.145 320 S CA -0.806 57.515 58.200 0.202 0.000 0.825 320 S CB 1.669 65.048 63.200 0.299 0.000 1.107 320 S HN 1.284 nan 8.310 nan 0.000 0.461 321 L N 1.559 122.849 121.223 0.112 0.000 2.409 321 L HA 0.791 5.142 4.340 0.019 0.000 0.272 321 L C -0.841 176.061 176.870 0.054 0.000 0.980 321 L CA 0.219 55.114 54.840 0.091 0.000 0.826 321 L CB 1.936 44.048 42.059 0.089 0.000 1.268 321 L HN 0.942 nan 8.230 nan 0.000 0.407 322 T N 4.505 119.076 114.554 0.028 0.000 2.770 322 T HA 0.824 5.185 4.350 0.019 0.000 0.283 322 T C -0.394 174.300 174.700 -0.009 0.000 0.988 322 T CA -0.293 61.808 62.100 0.002 0.000 0.957 322 T CB 1.306 70.160 68.868 -0.023 0.000 0.930 322 T HN 0.789 nan 8.240 nan 0.000 0.443 323 A N 3.769 126.595 122.820 0.010 0.000 2.318 323 A HA 0.754 5.085 4.320 0.019 0.000 0.324 323 A C -0.359 177.231 177.584 0.010 0.000 1.170 323 A CA -0.680 51.368 52.037 0.019 0.000 0.810 323 A CB 0.484 19.574 19.000 0.151 0.000 1.198 323 A HN 0.882 nan 8.150 nan 0.000 0.484 324 L N 4.970 126.181 121.223 -0.020 0.000 2.435 324 L HA 0.314 4.665 4.340 0.019 0.000 0.253 324 L C -2.266 174.609 176.870 0.007 0.000 1.087 324 L CA -1.738 53.094 54.840 -0.013 0.000 0.950 324 L CB 1.419 43.466 42.059 -0.021 0.000 1.304 324 L HN 0.508 nan 8.230 nan 0.000 0.453 325 P HA 0.176 nan 4.420 nan 0.000 0.278 325 P C -0.536 176.746 177.300 -0.030 0.000 1.238 325 P CA -0.171 62.965 63.100 0.061 0.000 0.794 325 P CB 2.055 33.735 31.700 -0.034 0.000 0.955 326 V N 4.003 123.891 119.914 -0.043 0.000 2.581 326 V HA 0.440 4.571 4.120 0.019 0.000 0.303 326 V C 0.312 176.364 176.094 -0.071 0.000 1.041 326 V CA -0.631 61.639 62.300 -0.049 0.000 0.907 326 V CB 1.784 33.593 31.823 -0.023 0.000 0.994 326 V HN 0.425 nan 8.190 nan 0.000 0.442 327 I N 3.050 123.583 120.570 -0.061 0.000 2.499 327 I HA 0.399 4.580 4.170 0.019 0.000 0.288 327 I C -0.136 175.970 176.117 -0.019 0.000 1.048 327 I CA -0.402 60.867 61.300 -0.052 0.000 1.062 327 I CB 2.026 39.987 38.000 -0.066 0.000 1.238 327 I HN 0.777 nan 8.210 nan 0.000 0.426 328 E N 5.608 125.808 120.200 0.001 0.000 2.081 328 E HA 0.331 4.692 4.350 0.019 0.000 0.276 328 E C -0.502 176.119 176.600 0.034 0.000 0.950 328 E CA -0.324 56.087 56.400 0.017 0.000 0.776 328 E CB 1.059 30.771 29.700 0.021 0.000 1.094 328 E HN 0.690 nan 8.360 nan 0.000 0.402 329 T N 1.925 116.504 114.554 0.041 0.000 2.882 329 T HA 0.267 4.628 4.350 0.019 0.000 0.287 329 T C 0.160 174.891 174.700 0.051 0.000 1.014 329 T CA -0.910 61.224 62.100 0.057 0.000 1.049 329 T CB 1.478 70.392 68.868 0.076 0.000 1.001 329 T HN 0.348 nan 8.240 nan 0.000 0.525 330 Q N 0.449 120.283 119.800 0.056 0.000 2.256 330 Q HA 0.528 4.879 4.340 0.019 0.000 0.257 330 Q C 0.582 176.606 176.000 0.040 0.000 0.936 330 Q CA -0.292 55.539 55.803 0.046 0.000 0.903 330 Q CB 1.536 30.305 28.738 0.050 0.000 1.263 330 Q HN 1.213 nan 8.270 nan 0.000 0.440 331 A N 2.018 124.854 122.820 0.028 0.000 2.665 331 A HA -0.199 4.132 4.320 0.019 0.000 0.301 331 A C 1.181 178.779 177.584 0.022 0.000 1.509 331 A CA 1.360 53.408 52.037 0.018 0.000 0.789 331 A CB -2.194 16.815 19.000 0.015 0.000 1.024 331 A HN 1.524 nan 8.150 nan 0.000 0.460 332 G N -1.012 107.808 108.800 0.032 0.000 2.212 332 G HA2 -0.281 3.690 3.960 0.019 0.000 0.267 332 G HA3 -0.281 3.690 3.960 0.019 0.000 0.267 332 G C 0.038 174.966 174.900 0.048 0.000 1.002 332 G CA 1.102 46.226 45.100 0.040 0.000 0.729 332 G HN 1.615 nan 8.290 nan 0.000 0.517 333 D N 0.378 120.810 120.400 0.053 0.000 2.416 333 D HA 0.315 4.966 4.640 0.019 0.000 0.240 333 D C 1.628 177.980 176.300 0.087 0.000 1.250 333 D CA 0.338 54.374 54.000 0.059 0.000 0.967 333 D CB 0.597 41.431 40.800 0.057 0.000 1.059 333 D HN 0.635 nan 8.370 nan 0.000 0.512 334 V N 1.548 121.525 119.914 0.105 0.000 3.563 334 V HA 0.153 4.284 4.120 0.019 0.000 0.299 334 V C 1.144 177.316 176.094 0.130 0.000 1.290 334 V CA 0.368 62.763 62.300 0.158 0.000 1.201 334 V CB 0.049 32.053 31.823 0.302 0.000 1.045 334 V HN 0.313 nan 8.190 nan 0.000 0.425 335 S N 0.503 116.263 115.700 0.099 0.000 2.524 335 S HA 0.566 5.047 4.470 0.019 0.000 0.215 335 S C 1.362 176.025 174.600 0.106 0.000 0.986 335 S CA 0.335 58.591 58.200 0.094 0.000 0.911 335 S CB 0.063 63.305 63.200 0.070 0.000 0.805 335 S HN 0.968 nan 8.310 nan 0.000 0.501 336 A N 0.742 123.628 122.820 0.111 0.000 2.521 336 A HA 0.131 4.462 4.320 0.019 0.000 0.237 336 A C 0.933 178.629 177.584 0.187 0.000 1.087 336 A CA 0.106 52.226 52.037 0.139 0.000 0.777 336 A CB -0.252 18.825 19.000 0.127 0.000 1.035 336 A HN 0.414 nan 8.150 nan 0.000 0.510 337 Y N 1.150 121.482 120.300 0.052 0.000 2.097 337 Y HA -0.209 4.352 4.550 0.019 0.000 0.282 337 Y C 1.831 177.730 175.900 -0.001 0.000 1.152 337 Y CA 2.333 60.453 58.100 0.033 0.000 1.136 337 Y CB -0.605 37.888 38.460 0.054 0.000 0.975 337 Y HN 0.519 nan 8.280 nan 0.000 0.498 338 I N 0.381 120.885 120.570 -0.110 0.000 2.163 338 I HA -0.190 3.991 4.170 0.019 0.000 0.240 338 I C -0.635 175.443 176.117 -0.065 0.000 1.081 338 I CA 1.504 62.666 61.300 -0.231 0.000 1.353 338 I CB -1.940 35.882 38.000 -0.297 0.000 1.054 338 I HN 0.131 nan 8.210 nan 0.000 0.407 339 P HA -0.196 nan 4.420 nan 0.000 0.215 339 P C 1.788 179.111 177.300 0.038 0.000 1.157 339 P CA 2.614 65.727 63.100 0.022 0.000 0.874 339 P CB -0.488 31.246 31.700 0.056 0.000 0.790 340 T N -3.253 111.344 114.554 0.072 0.000 2.684 340 T HA -0.202 4.159 4.350 0.019 0.000 0.267 340 T C 1.746 176.501 174.700 0.092 0.000 1.036 340 T CA 1.586 63.741 62.100 0.091 0.000 1.148 340 T CB -1.407 67.531 68.868 0.117 0.000 0.863 340 T HN -0.045 nan 8.240 nan 0.000 0.436 341 N N 1.623 120.373 118.700 0.083 0.000 2.027 341 N HA -0.115 4.636 4.740 0.019 0.000 0.200 341 N C 1.990 177.596 175.510 0.160 0.000 1.042 341 N CA 1.724 54.865 53.050 0.151 0.000 0.871 341 N CB -1.174 37.344 38.487 0.053 0.000 1.063 341 N HN 0.364 nan 8.380 nan 0.000 0.438 342 V N 1.230 121.187 119.914 0.072 0.000 2.469 342 V HA -0.172 3.959 4.120 0.019 0.000 0.251 342 V C 2.192 178.290 176.094 0.007 0.000 1.064 342 V CA 1.178 63.487 62.300 0.015 0.000 1.066 342 V CB -0.484 31.303 31.823 -0.061 0.000 0.667 342 V HN 0.292 nan 8.190 nan 0.000 0.461 343 I N 1.040 121.620 120.570 0.018 0.000 2.394 343 I HA -0.159 4.022 4.170 0.019 0.000 0.251 343 I C 2.312 178.454 176.117 0.042 0.000 1.136 343 I CA 1.635 62.937 61.300 0.003 0.000 1.425 343 I CB -0.236 37.771 38.000 0.010 0.000 1.079 343 I HN 0.470 nan 8.210 nan 0.000 0.425 344 S N -0.169 115.587 115.700 0.093 0.000 2.701 344 S HA 0.169 4.650 4.470 0.019 0.000 0.220 344 S C 1.313 176.014 174.600 0.170 0.000 0.954 344 S CA 0.150 58.426 58.200 0.128 0.000 0.936 344 S CB -0.309 62.977 63.200 0.144 0.000 0.777 344 S HN 0.436 nan 8.310 nan 0.000 0.518 345 I N 0.776 121.412 120.570 0.110 0.000 3.873 345 I HA 0.089 4.270 4.170 0.019 0.000 0.284 345 I C 1.490 177.618 176.117 0.020 0.000 1.186 345 I CA 0.444 61.786 61.300 0.070 0.000 1.362 345 I CB -0.336 37.661 38.000 -0.005 0.000 1.432 345 I HN 0.333 nan 8.210 nan 0.000 0.454 346 T N -1.341 113.209 114.554 -0.006 0.000 2.689 346 T HA 0.069 4.430 4.350 0.019 0.000 0.308 346 T C 0.312 175.008 174.700 -0.008 0.000 1.021 346 T CA -0.100 61.988 62.100 -0.020 0.000 0.973 346 T CB 0.561 69.402 68.868 -0.046 0.000 1.113 346 T HN 0.068 nan 8.240 nan 0.000 0.522 347 D N 0.214 120.607 120.400 -0.012 0.000 2.643 347 D HA 0.430 5.081 4.640 0.019 0.000 0.244 347 D C 0.707 177.001 176.300 -0.011 0.000 1.257 347 D CA 0.048 54.045 54.000 -0.005 0.000 0.831 347 D CB 0.152 40.951 40.800 -0.002 0.000 1.043 347 D HN 0.954 nan 8.370 nan 0.000 0.488 348 G N 0.726 109.510 108.800 -0.026 0.000 2.361 348 G HA2 0.248 4.219 3.960 0.019 0.000 0.305 348 G HA3 0.248 4.219 3.960 0.019 0.000 0.305 348 G C -1.888 172.955 174.900 -0.094 0.000 1.367 348 G CA -0.880 44.198 45.100 -0.037 0.000 0.951 348 G HN 0.018 nan 8.290 nan 0.000 0.615 349 Q N -1.314 118.401 119.800 -0.142 0.000 2.501 349 Q HA 0.810 5.161 4.340 0.019 0.000 0.288 349 Q C -0.834 175.034 176.000 -0.219 0.000 1.051 349 Q CA -0.686 54.947 55.803 -0.284 0.000 0.788 349 Q CB 2.289 30.648 28.738 -0.632 0.000 1.469 349 Q HN 0.682 nan 8.270 nan 0.000 0.416 350 I N 2.003 122.442 120.570 -0.218 0.000 2.466 350 I HA 0.390 4.571 4.170 0.019 0.000 0.279 350 I C -1.305 174.784 176.117 -0.046 0.000 1.033 350 I CA -0.463 60.801 61.300 -0.060 0.000 1.123 350 I CB 0.578 38.572 38.000 -0.010 0.000 1.237 350 I HN 0.426 nan 8.210 nan 0.000 0.460 351 F N 6.403 126.366 119.950 0.022 0.000 2.405 351 F HA 0.496 5.034 4.527 0.019 0.000 0.355 351 F C 0.060 175.878 175.800 0.030 0.000 1.121 351 F CA -0.899 57.114 58.000 0.022 0.000 1.112 351 F CB 0.490 39.504 39.000 0.022 0.000 1.126 351 F HN 0.103 nan 8.300 nan 0.000 0.481 352 L N 3.719 125.068 121.223 0.211 0.000 2.289 352 L HA 0.447 4.798 4.340 0.019 0.000 0.285 352 L C 0.019 176.965 176.870 0.128 0.000 1.049 352 L CA -0.593 54.333 54.840 0.143 0.000 0.804 352 L CB 1.083 43.190 42.059 0.080 0.000 1.195 352 L HN 0.583 nan 8.230 nan 0.000 0.428 353 E N 1.473 121.748 120.200 0.125 0.000 2.166 353 E HA 0.201 4.562 4.350 0.019 0.000 0.275 353 E C 0.259 176.939 176.600 0.134 0.000 0.941 353 E CA -0.417 56.044 56.400 0.101 0.000 0.784 353 E CB 2.108 31.859 29.700 0.085 0.000 1.115 353 E HN 0.574 nan 8.360 nan 0.000 0.399 354 T N 2.159 116.774 114.554 0.100 0.000 2.720 354 T HA -0.171 4.190 4.350 0.019 0.000 0.268 354 T C 1.403 176.243 174.700 0.232 0.000 1.037 354 T CA 1.050 63.245 62.100 0.159 0.000 1.144 354 T CB 0.060 68.951 68.868 0.039 0.000 0.864 354 T HN 0.394 nan 8.240 nan 0.000 0.444 355 E N 1.144 121.412 120.200 0.114 0.000 2.033 355 E HA -0.109 4.252 4.350 0.019 0.000 0.199 355 E C 2.370 179.087 176.600 0.194 0.000 1.011 355 E CA 1.037 57.499 56.400 0.103 0.000 0.815 355 E CB -0.559 29.173 29.700 0.054 0.000 0.755 355 E HN 0.461 nan 8.360 nan 0.000 0.451 356 L N -0.041 121.290 121.223 0.180 0.000 1.997 356 L HA -0.240 4.111 4.340 0.019 0.000 0.216 356 L C 2.579 179.589 176.870 0.233 0.000 1.074 356 L CA 1.444 56.391 54.840 0.179 0.000 0.763 356 L CB -0.620 41.535 42.059 0.160 0.000 0.890 356 L HN 0.074 nan 8.230 nan 0.000 0.434 357 F N -0.234 119.803 119.950 0.144 0.000 2.063 357 F HA -0.329 4.209 4.527 0.019 0.000 0.298 357 F C 2.455 178.316 175.800 0.101 0.000 1.109 357 F CA 1.812 59.888 58.000 0.127 0.000 1.212 357 F CB -0.484 38.617 39.000 0.168 0.000 0.973 357 F HN -0.067 nan 8.300 nan 0.000 0.480 358 Y N 0.065 120.461 120.300 0.161 0.000 2.163 358 Y HA -0.179 4.382 4.550 0.018 0.000 0.288 358 Y C 2.421 178.324 175.900 0.004 0.000 1.136 358 Y CA 1.776 59.913 58.100 0.061 0.000 1.147 358 Y CB -0.983 37.533 38.460 0.094 0.000 0.987 358 Y HN -0.026 nan 8.280 nan 0.000 0.509 359 K N -0.002 120.515 120.400 0.197 0.000 2.589 359 K HA -0.087 4.244 4.320 0.019 0.000 0.195 359 K C 1.122 177.743 176.600 0.035 0.000 1.040 359 K CA 0.863 57.211 56.287 0.102 0.000 0.950 359 K CB -0.552 32.010 32.500 0.103 0.000 0.781 359 K HN 0.545 nan 8.250 nan 0.000 0.486 360 G N 0.475 109.261 108.800 -0.023 0.000 2.141 360 G HA2 -0.196 3.775 3.960 0.019 0.000 0.242 360 G HA3 -0.196 3.775 3.960 0.019 0.000 0.242 360 G C -0.008 174.852 174.900 -0.067 0.000 0.982 360 G CA 0.077 45.126 45.100 -0.086 0.000 0.662 360 G HN 0.235 nan 8.290 nan 0.000 0.527 361 I N 1.325 121.886 120.570 -0.016 0.000 2.297 361 I HA 0.464 4.645 4.170 0.019 0.000 0.291 361 I C 0.533 176.656 176.117 0.009 0.000 1.033 361 I CA -0.060 61.245 61.300 0.009 0.000 1.253 361 I CB 0.695 38.727 38.000 0.053 0.000 1.396 361 I HN 0.118 nan 8.210 nan 0.000 0.476 362 R N 6.999 127.486 120.500 -0.021 0.000 2.564 362 R HA 0.419 4.770 4.340 0.019 0.000 0.284 362 R C -2.789 173.520 176.300 0.014 0.000 1.031 362 R CA -1.796 54.305 56.100 0.002 0.000 0.904 362 R CB 2.436 32.662 30.300 -0.124 0.000 1.199 362 R HN 0.285 nan 8.270 nan 0.000 0.443 363 P HA -0.018 nan 4.420 nan 0.000 0.264 363 P C 0.085 177.465 177.300 0.135 0.000 1.193 363 P CA 0.047 63.209 63.100 0.102 0.000 0.763 363 P CB 0.677 32.423 31.700 0.078 0.000 0.810 364 A N 4.867 127.824 122.820 0.229 0.000 2.253 364 A HA 0.021 4.352 4.320 0.019 0.000 0.225 364 A C 0.933 178.616 177.584 0.164 0.000 1.521 364 A CA -0.098 52.080 52.037 0.235 0.000 1.494 364 A CB -1.562 17.668 19.000 0.383 0.000 0.804 364 A HN 0.525 nan 8.150 nan 0.000 0.614 365 I N 0.744 121.393 120.570 0.130 0.000 2.692 365 I HA -0.036 4.146 4.170 0.019 0.000 0.284 365 I C 0.743 176.930 176.117 0.117 0.000 1.159 365 I CA -0.098 61.275 61.300 0.123 0.000 1.423 365 I CB 0.514 38.573 38.000 0.099 0.000 1.380 365 I HN 0.361 nan 8.210 nan 0.000 0.580 366 N N 6.180 124.960 118.700 0.133 0.000 2.678 366 N HA 0.103 4.854 4.740 0.019 0.000 0.231 366 N C 0.544 176.113 175.510 0.098 0.000 1.038 366 N CA -0.179 52.924 53.050 0.088 0.000 0.932 366 N CB 1.312 39.813 38.487 0.024 0.000 1.176 366 N HN 0.403 nan 8.380 nan 0.000 0.511 367 V N 2.883 122.846 119.914 0.082 0.000 2.688 367 V HA -0.129 4.002 4.120 0.019 0.000 0.256 367 V C 2.165 178.300 176.094 0.068 0.000 1.084 367 V CA 2.203 64.551 62.300 0.079 0.000 1.103 367 V CB -0.606 31.259 31.823 0.070 0.000 0.688 367 V HN 0.705 nan 8.190 nan 0.000 0.480 368 G N -0.617 108.208 108.800 0.042 0.000 2.408 368 G HA2 -0.062 3.910 3.960 0.019 0.000 0.213 368 G HA3 -0.062 3.910 3.960 0.019 0.000 0.213 368 G C 1.491 176.410 174.900 0.032 0.000 1.177 368 G CA 0.311 45.426 45.100 0.026 0.000 0.802 368 G HN 0.419 nan 8.290 nan 0.000 0.533 369 L N 1.087 122.299 121.223 -0.017 0.000 2.056 369 L HA 0.025 4.376 4.340 0.019 0.000 0.207 369 L C 1.514 178.613 176.870 0.380 0.000 1.078 369 L CA 0.320 55.128 54.840 -0.053 0.000 0.749 369 L CB -0.705 40.948 42.059 -0.676 0.000 0.901 369 L HN 0.083 nan 8.230 nan 0.000 0.433 370 S N -0.430 115.522 115.700 0.421 0.000 2.573 370 S HA 0.344 4.825 4.470 0.019 0.000 0.277 370 S C -0.094 174.622 174.600 0.194 0.000 1.346 370 S CA -0.440 57.985 58.200 0.375 0.000 1.034 370 S CB 1.424 64.775 63.200 0.252 0.000 0.879 370 S HN 0.089 nan 8.310 nan 0.000 0.528 371 V N 0.079 120.058 119.914 0.109 0.000 3.216 371 V HA 0.762 4.893 4.120 0.019 0.000 0.302 371 V C -0.561 175.549 176.094 0.027 0.000 1.286 371 V CA -0.963 61.378 62.300 0.068 0.000 1.048 371 V CB 1.993 33.857 31.823 0.068 0.000 1.081 371 V HN 0.734 nan 8.190 nan 0.000 0.442 372 S N 0.432 116.147 115.700 0.025 0.000 2.524 372 S HA 0.401 4.882 4.470 0.019 0.000 0.227 372 S C 0.785 175.393 174.600 0.013 0.000 1.304 372 S CA -0.690 57.517 58.200 0.011 0.000 1.185 372 S CB 0.743 63.948 63.200 0.009 0.000 1.104 372 S HN 0.739 nan 8.310 nan 0.000 0.475 373 R N 1.827 122.334 120.500 0.012 0.000 2.105 373 R HA -0.068 4.283 4.340 0.019 0.000 0.239 373 R C 1.640 177.946 176.300 0.011 0.000 1.135 373 R CA 1.955 58.064 56.100 0.014 0.000 0.967 373 R CB -0.409 29.900 30.300 0.015 0.000 0.861 373 R HN 0.627 nan 8.270 nan 0.000 0.442 374 V N -4.025 115.893 119.914 0.006 0.000 3.645 374 V HA 0.308 4.439 4.120 0.019 0.000 0.275 374 V C 1.866 177.961 176.094 0.001 0.000 1.356 374 V CA 0.754 63.056 62.300 0.004 0.000 1.051 374 V CB 0.318 32.142 31.823 0.002 0.000 0.828 374 V HN 0.233 nan 8.190 nan 0.000 0.441 375 G N 1.177 109.976 108.800 -0.001 0.000 2.598 375 G HA2 -0.117 3.854 3.960 0.019 0.000 0.215 375 G HA3 -0.117 3.854 3.960 0.019 0.000 0.215 375 G C 1.466 176.366 174.900 -0.000 0.000 1.131 375 G CA 1.069 46.167 45.100 -0.004 0.000 0.785 375 G HN 0.553 nan 8.290 nan 0.000 0.539 376 S N 1.521 117.223 115.700 0.005 0.000 2.370 376 S HA -0.104 4.377 4.470 0.019 0.000 0.226 376 S C 2.766 177.368 174.600 0.004 0.000 1.033 376 S CA 1.179 59.383 58.200 0.007 0.000 1.011 376 S CB -0.446 62.760 63.200 0.010 0.000 0.852 376 S HN 0.557 nan 8.310 nan 0.000 0.457 377 A N 1.896 124.718 122.820 0.003 0.000 1.908 377 A HA 0.111 4.442 4.320 0.019 0.000 0.218 377 A C 2.388 179.970 177.584 -0.004 0.000 1.181 377 A CA 1.707 53.745 52.037 0.001 0.000 0.627 377 A CB -1.183 17.818 19.000 0.002 0.000 0.818 377 A HN 0.583 nan 8.150 nan 0.000 0.445 378 A N -1.155 121.659 122.820 -0.010 0.000 2.125 378 A HA -0.049 4.282 4.320 0.019 0.000 0.219 378 A C 1.402 178.977 177.584 -0.016 0.000 1.156 378 A CA 0.841 52.865 52.037 -0.021 0.000 0.671 378 A CB -0.373 18.608 19.000 -0.030 0.000 0.794 378 A HN 0.665 nan 8.150 nan 0.000 0.459 379 Q N 0.955 120.751 119.800 -0.006 0.000 2.352 379 Q HA 0.230 4.581 4.340 0.019 0.000 0.260 379 Q C -0.398 175.605 176.000 0.005 0.000 0.976 379 Q CA -0.146 55.657 55.803 0.001 0.000 0.881 379 Q CB 0.562 29.305 28.738 0.007 0.000 1.235 379 Q HN 0.481 nan 8.270 nan 0.000 0.419 380 T N 2.468 117.028 114.554 0.009 0.000 2.926 380 T HA 0.016 4.377 4.350 0.019 0.000 0.307 380 T C 0.898 175.609 174.700 0.019 0.000 1.059 380 T CA -0.463 61.646 62.100 0.015 0.000 1.122 380 T CB 0.853 69.734 68.868 0.021 0.000 0.972 380 T HN 0.658 nan 8.240 nan 0.000 0.545 381 R N 1.954 122.466 120.500 0.020 0.000 2.092 381 R HA 0.005 4.356 4.340 0.019 0.000 0.231 381 R C 2.406 178.724 176.300 0.031 0.000 1.119 381 R CA 1.759 57.873 56.100 0.023 0.000 0.970 381 R CB -1.116 29.196 30.300 0.022 0.000 0.864 381 R HN 0.759 nan 8.270 nan 0.000 0.440 382 A N 0.783 123.622 122.820 0.033 0.000 1.903 382 A HA -0.223 4.108 4.320 0.019 0.000 0.219 382 A C 2.201 179.815 177.584 0.051 0.000 1.191 382 A CA 1.961 54.024 52.037 0.043 0.000 0.638 382 A CB -0.550 18.472 19.000 0.037 0.000 0.823 382 A HN 0.376 nan 8.150 nan 0.000 0.451 383 M N -1.485 118.140 119.600 0.041 0.000 2.156 383 M HA -0.081 4.410 4.480 0.019 0.000 0.264 383 M C 2.060 178.382 176.300 0.035 0.000 1.067 383 M CA 1.668 56.993 55.300 0.041 0.000 1.131 383 M CB -0.935 31.684 32.600 0.033 0.000 1.368 383 M HN 0.299 nan 8.290 nan 0.000 0.416 384 K N 0.532 120.950 120.400 0.030 0.000 2.059 384 K HA -0.207 4.124 4.320 0.019 0.000 0.212 384 K C 1.958 178.575 176.600 0.028 0.000 1.050 384 K CA 1.678 57.980 56.287 0.025 0.000 0.927 384 K CB -0.366 32.148 32.500 0.022 0.000 0.714 384 K HN 0.443 nan 8.250 nan 0.000 0.447 385 Q N -0.630 119.193 119.800 0.037 0.000 2.096 385 Q HA -0.150 4.202 4.340 0.019 0.000 0.204 385 Q C 2.044 178.070 176.000 0.044 0.000 0.982 385 Q CA 1.955 57.786 55.803 0.045 0.000 0.850 385 Q CB -0.039 28.739 28.738 0.065 0.000 0.901 385 Q HN 0.408 nan 8.270 nan 0.000 0.422 386 V N -4.144 115.801 119.914 0.052 0.000 2.788 386 V HA 0.269 4.400 4.120 0.019 0.000 0.241 386 V C 2.011 178.116 176.094 0.019 0.000 1.083 386 V CA 0.845 63.169 62.300 0.040 0.000 1.103 386 V CB -0.626 31.249 31.823 0.085 0.000 0.800 386 V HN 0.167 nan 8.190 nan 0.000 0.476 387 A N 1.488 124.323 122.820 0.026 0.000 2.015 387 A HA 0.122 4.453 4.320 0.019 0.000 0.219 387 A C 2.275 179.866 177.584 0.012 0.000 1.163 387 A CA 1.695 53.743 52.037 0.018 0.000 0.646 387 A CB -1.364 17.650 19.000 0.024 0.000 0.806 387 A HN 0.746 nan 8.150 nan 0.000 0.448 388 G N -0.111 108.696 108.800 0.012 0.000 2.440 388 G HA2 -0.210 3.761 3.960 0.019 0.000 0.218 388 G HA3 -0.210 3.761 3.960 0.019 0.000 0.218 388 G C 1.490 176.391 174.900 0.001 0.000 1.154 388 G CA 1.783 46.888 45.100 0.009 0.000 0.767 388 G HN 0.748 nan 8.290 nan 0.000 0.552 389 T N -2.475 112.074 114.554 -0.008 0.000 3.163 389 T HA 0.378 4.739 4.350 0.019 0.000 0.252 389 T C 1.844 176.530 174.700 -0.023 0.000 1.056 389 T CA 0.265 62.354 62.100 -0.018 0.000 0.947 389 T CB 0.370 69.218 68.868 -0.033 0.000 1.016 389 T HN 0.224 nan 8.240 nan 0.000 0.554 390 M N 0.390 119.982 119.600 -0.014 0.000 2.325 390 M HA 0.310 4.801 4.480 0.019 0.000 0.265 390 M C 2.259 178.558 176.300 -0.002 0.000 1.094 390 M CA 1.076 56.366 55.300 -0.016 0.000 1.161 390 M CB 0.080 32.673 32.600 -0.010 0.000 1.358 390 M HN 0.094 nan 8.290 nan 0.000 0.446 391 K N 0.440 120.845 120.400 0.009 0.000 2.155 391 K HA -0.046 4.286 4.320 0.019 0.000 0.203 391 K C 1.749 178.361 176.600 0.021 0.000 1.052 391 K CA 1.017 57.316 56.287 0.021 0.000 0.948 391 K CB -0.161 32.354 32.500 0.026 0.000 0.728 391 K HN 0.374 nan 8.250 nan 0.000 0.448 392 L N 0.341 121.571 121.223 0.011 0.000 2.013 392 L HA -0.232 4.120 4.340 0.019 0.000 0.212 392 L C 2.200 179.077 176.870 0.012 0.000 1.073 392 L CA 1.661 56.506 54.840 0.009 0.000 0.753 392 L CB -0.675 41.383 42.059 -0.000 0.000 0.890 392 L HN 0.224 nan 8.230 nan 0.000 0.432 393 E N 0.442 120.643 120.200 0.002 0.000 2.077 393 E HA -0.162 4.199 4.350 0.019 0.000 0.193 393 E C 2.351 178.977 176.600 0.042 0.000 0.989 393 E CA 0.960 57.361 56.400 0.002 0.000 0.800 393 E CB -0.121 29.559 29.700 -0.033 0.000 0.746 393 E HN 0.433 nan 8.360 nan 0.000 0.452 394 L N 0.258 121.507 121.223 0.042 0.000 2.465 394 L HA -0.080 4.271 4.340 0.019 0.000 0.224 394 L C 2.247 179.188 176.870 0.119 0.000 1.145 394 L CA 0.276 55.175 54.840 0.099 0.000 0.834 394 L CB -0.226 41.872 42.059 0.064 0.000 0.944 394 L HN 0.167 nan 8.230 nan 0.000 0.451 395 A N -0.339 122.523 122.820 0.070 0.000 1.874 395 A HA -0.162 4.169 4.320 0.019 0.000 0.214 395 A C 2.084 179.696 177.584 0.046 0.000 1.189 395 A CA 0.773 52.839 52.037 0.048 0.000 0.615 395 A CB -0.237 18.781 19.000 0.029 0.000 0.830 395 A HN 0.420 nan 8.150 nan 0.000 0.443 396 Q N -2.213 117.620 119.800 0.055 0.000 2.488 396 Q HA -0.101 4.250 4.340 0.019 0.000 0.211 396 Q C 1.442 177.493 176.000 0.084 0.000 0.967 396 Q CA 1.251 57.083 55.803 0.049 0.000 0.926 396 Q CB -0.151 28.611 28.738 0.040 0.000 0.992 396 Q HN 0.883 nan 8.270 nan 0.000 0.506 397 Y N -0.201 120.089 120.300 -0.017 0.000 2.558 397 Y HA 0.174 4.735 4.550 0.018 0.000 0.273 397 Y C 1.987 177.879 175.900 -0.013 0.000 1.100 397 Y CA 0.067 58.157 58.100 -0.017 0.000 1.276 397 Y CB 0.284 38.733 38.460 -0.019 0.000 1.196 397 Y HN -0.207 nan 8.280 nan 0.000 0.527 398 R N 0.755 121.225 120.500 -0.050 0.000 2.103 398 R HA -0.227 4.124 4.340 0.019 0.000 0.242 398 R C 1.990 178.169 176.300 -0.201 0.000 1.142 398 R CA 2.191 58.210 56.100 -0.135 0.000 0.960 398 R CB -0.145 30.142 30.300 -0.022 0.000 0.858 398 R HN 0.475 nan 8.270 nan 0.000 0.439 399 E N -0.518 119.600 120.200 -0.136 0.000 2.000 399 E HA -0.174 4.187 4.350 0.019 0.000 0.199 399 E C 1.660 178.171 176.600 -0.148 0.000 1.011 399 E CA 1.788 58.119 56.400 -0.114 0.000 0.836 399 E CB 0.066 29.727 29.700 -0.065 0.000 0.778 399 E HN 0.085 nan 8.360 nan 0.000 0.462 400 V N 0.909 120.732 119.914 -0.153 0.000 3.330 400 V HA -0.076 4.055 4.120 0.019 0.000 0.273 400 V C 0.886 176.854 176.094 -0.209 0.000 1.179 400 V CA 0.788 63.004 62.300 -0.139 0.000 1.174 400 V CB -1.366 30.407 31.823 -0.083 0.000 0.794 400 V HN 0.268 nan 8.190 nan 0.000 0.527 411 D N 0.302 120.699 120.400 -0.005 0.000 7.547 411 D HA -0.091 4.560 4.640 0.019 0.000 0.255 411 D C 0.521 176.818 176.300 -0.005 0.000 2.090 411 D CA 0.914 54.911 54.000 -0.005 0.000 1.914 411 D CB 0.289 41.086 40.800 -0.006 0.000 0.809 411 D HN 0.844 nan 8.370 nan 0.000 0.513 412 A N 3.968 126.785 122.820 -0.006 0.000 1.883 412 A HA 0.163 4.494 4.320 0.019 0.000 0.217 412 A C 2.381 179.961 177.584 -0.008 0.000 1.186 412 A CA 3.161 55.193 52.037 -0.008 0.000 0.624 412 A CB -0.843 18.151 19.000 -0.010 0.000 0.822 412 A HN 1.160 nan 8.150 nan 0.000 0.444 413 A N -0.062 122.753 122.820 -0.008 0.000 1.829 413 A HA -0.168 4.163 4.320 0.019 0.000 0.216 413 A C 2.466 180.049 177.584 -0.002 0.000 1.207 413 A CA 3.262 55.295 52.037 -0.008 0.000 0.622 413 A CB -1.801 17.194 19.000 -0.008 0.000 0.846 413 A HN 0.869 nan 8.150 nan 0.000 0.447 414 T N -1.696 112.858 114.554 -0.000 0.000 2.714 414 T HA -0.324 4.037 4.350 0.019 0.000 0.268 414 T C 1.877 176.585 174.700 0.014 0.000 1.036 414 T CA 1.962 64.065 62.100 0.006 0.000 1.148 414 T CB -0.554 68.313 68.868 -0.001 0.000 0.856 414 T HN 0.588 nan 8.240 nan 0.000 0.462 415 Q N 0.599 120.404 119.800 0.008 0.000 2.020 415 Q HA -0.189 4.162 4.340 0.019 0.000 0.202 415 Q C 2.732 178.740 176.000 0.014 0.000 0.982 415 Q CA 1.796 57.606 55.803 0.011 0.000 0.838 415 Q CB -0.255 28.484 28.738 0.002 0.000 0.899 415 Q HN 0.732 nan 8.270 nan 0.000 0.423 416 Q N 0.764 120.565 119.800 0.001 0.000 2.061 416 Q HA -0.222 4.129 4.340 0.019 0.000 0.204 416 Q C 2.060 178.061 176.000 0.002 0.000 0.984 416 Q CA 1.473 57.270 55.803 -0.010 0.000 0.846 416 Q CB -0.295 28.430 28.738 -0.021 0.000 0.902 416 Q HN 0.446 nan 8.270 nan 0.000 0.421 417 L N 0.506 121.741 121.223 0.020 0.000 2.013 417 L HA -0.233 4.119 4.340 0.019 0.000 0.212 417 L C 2.724 179.668 176.870 0.123 0.000 1.073 417 L CA 1.134 56.004 54.840 0.051 0.000 0.753 417 L CB -0.634 41.458 42.059 0.055 0.000 0.890 417 L HN 0.266 nan 8.230 nan 0.000 0.432 418 L N -0.731 120.577 121.223 0.140 0.000 2.191 418 L HA -0.170 4.181 4.340 0.019 0.000 0.212 418 L C 2.615 179.570 176.870 0.142 0.000 1.103 418 L CA 0.856 55.848 54.840 0.253 0.000 0.769 418 L CB -0.301 41.845 42.059 0.145 0.000 0.908 418 L HN 0.241 nan 8.230 nan 0.000 0.438 419 S N -1.030 114.691 115.700 0.034 0.000 2.395 419 S HA -0.032 4.449 4.470 0.019 0.000 0.225 419 S C 2.015 176.551 174.600 -0.106 0.000 1.027 419 S CA 0.466 58.646 58.200 -0.033 0.000 0.965 419 S CB -0.040 63.139 63.200 -0.035 0.000 0.812 419 S HN 0.325 nan 8.310 nan 0.000 0.482 420 R N 1.227 121.659 120.500 -0.113 0.000 2.061 420 R HA -0.017 4.334 4.340 0.019 0.000 0.230 420 R C 2.693 178.813 176.300 -0.301 0.000 1.140 420 R CA 1.399 57.398 56.100 -0.167 0.000 0.940 420 R CB -1.477 28.744 30.300 -0.130 0.000 0.839 420 R HN 0.484 nan 8.270 nan 0.000 0.429 421 G N 1.423 109.948 108.800 -0.459 0.000 2.728 421 G HA2 -0.340 3.631 3.960 0.019 0.000 0.224 421 G HA3 -0.340 3.631 3.960 0.019 0.000 0.224 421 G C 1.499 175.739 174.900 -1.101 0.000 1.139 421 G CA 2.234 46.610 45.100 -1.206 0.000 0.761 421 G HN 0.372 nan 8.290 nan 0.000 0.621 422 V N -1.709 117.792 119.914 -0.688 0.000 2.667 422 V HA 0.030 4.161 4.120 0.019 0.000 0.252 422 V C 2.678 178.638 176.094 -0.222 0.000 1.065 422 V CA 1.845 63.949 62.300 -0.327 0.000 1.083 422 V CB -0.416 31.335 31.823 -0.120 0.000 0.692 422 V HN 0.241 nan 8.190 nan 0.000 0.468 423 R N 0.737 121.101 120.500 -0.226 0.000 2.052 423 R HA 0.208 4.559 4.340 0.019 0.000 0.226 423 R C 2.446 178.643 176.300 -0.171 0.000 1.145 423 R CA 1.487 57.481 56.100 -0.177 0.000 0.952 423 R CB -1.197 28.994 30.300 -0.182 0.000 0.847 423 R HN 0.471 nan 8.270 nan 0.000 0.431 424 L N 1.000 122.103 121.223 -0.199 0.000 2.051 424 L HA -0.227 4.124 4.340 0.019 0.000 0.214 424 L C 2.298 179.093 176.870 -0.124 0.000 1.076 424 L CA 1.930 56.677 54.840 -0.155 0.000 0.758 424 L CB -1.014 40.947 42.059 -0.163 0.000 0.890 424 L HN 0.249 nan 8.230 nan 0.000 0.433 425 T N -1.261 113.197 114.554 -0.159 0.000 2.881 425 T HA -0.125 4.237 4.350 0.019 0.000 0.270 425 T C 1.712 176.379 174.700 -0.055 0.000 1.068 425 T CA 0.944 62.990 62.100 -0.089 0.000 1.131 425 T CB -0.099 68.717 68.868 -0.086 0.000 0.871 425 T HN 0.330 nan 8.240 nan 0.000 0.479 426 E N 1.151 121.309 120.200 -0.071 0.000 2.158 426 E HA 0.094 4.456 4.350 0.019 0.000 0.191 426 E C 2.225 178.808 176.600 -0.028 0.000 0.982 426 E CA 0.430 56.805 56.400 -0.042 0.000 0.823 426 E CB -0.277 29.394 29.700 -0.048 0.000 0.766 426 E HN 0.479 nan 8.360 nan 0.000 0.468 427 L N 0.421 121.619 121.223 -0.042 0.000 2.275 427 L HA -0.088 4.263 4.340 0.019 0.000 0.215 427 L C 2.174 179.042 176.870 -0.003 0.000 1.119 427 L CA 0.685 55.512 54.840 -0.022 0.000 0.790 427 L CB -0.286 41.751 42.059 -0.037 0.000 0.919 427 L HN 0.090 nan 8.230 nan 0.000 0.443 428 L N -0.892 120.327 121.223 -0.007 0.000 2.567 428 L HA 0.055 4.406 4.340 0.019 0.000 0.225 428 L C 0.771 177.648 176.870 0.011 0.000 1.119 428 L CA 0.039 54.883 54.840 0.007 0.000 0.871 428 L CB -0.230 41.835 42.059 0.010 0.000 1.036 428 L HN 0.123 nan 8.230 nan 0.000 0.459 429 K N 1.885 122.288 120.400 0.004 0.000 2.326 429 K HA 0.272 4.603 4.320 0.019 0.000 0.275 429 K C -0.266 176.336 176.600 0.003 0.000 1.018 429 K CA 0.163 56.451 56.287 0.001 0.000 0.962 429 K CB 0.932 33.428 32.500 -0.007 0.000 0.953 429 K HN 0.092 nan 8.250 nan 0.000 0.475 430 Q N 0.348 120.146 119.800 -0.003 0.000 2.353 430 Q HA 0.284 4.635 4.340 0.019 0.000 0.275 430 Q C -0.570 175.417 176.000 -0.022 0.000 1.029 430 Q CA -0.566 55.235 55.803 -0.004 0.000 0.848 430 Q CB 2.439 31.178 28.738 0.001 0.000 1.390 430 Q HN 0.867 nan 8.270 nan 0.000 0.401 431 G N 1.014 109.802 108.800 -0.020 0.000 2.543 431 G HA2 0.339 4.310 3.960 0.019 0.000 0.290 431 G HA3 0.339 4.310 3.960 0.019 0.000 0.290 431 G C -0.495 174.358 174.900 -0.080 0.000 1.310 431 G CA -0.218 44.859 45.100 -0.038 0.000 1.025 431 G HN 0.474 nan 8.290 nan 0.000 0.502 432 Q N -1.408 118.301 119.800 -0.152 0.000 2.221 432 Q HA 0.348 4.699 4.340 0.019 0.000 0.242 432 Q C -0.826 175.007 176.000 -0.279 0.000 0.940 432 Q CA -0.552 55.006 55.803 -0.409 0.000 0.896 432 Q CB 1.091 29.317 28.738 -0.854 0.000 1.226 432 Q HN 0.531 nan 8.270 nan 0.000 0.463 433 Y N -1.274 119.032 120.300 0.010 0.000 4.409 433 Y HA -0.243 4.318 4.550 0.018 0.000 0.228 433 Y C 0.001 175.905 175.900 0.006 0.000 1.108 433 Y CA 0.590 58.693 58.100 0.005 0.000 1.955 433 Y CB -2.242 36.217 38.460 -0.002 0.000 1.615 433 Y HN 0.408 nan 8.280 nan 0.000 0.665 434 S N -0.055 115.694 115.700 0.082 0.000 2.399 434 S HA 0.342 4.823 4.470 0.019 0.000 0.198 434 S C -2.393 172.228 174.600 0.036 0.000 1.294 434 S CA -0.925 57.312 58.200 0.062 0.000 1.237 434 S CB 0.835 64.067 63.200 0.052 0.000 1.286 434 S HN -0.001 nan 8.310 nan 0.000 0.404 435 P HA 0.152 nan 4.420 nan 0.000 0.265 435 P C -0.328 176.985 177.300 0.021 0.000 1.193 435 P CA 0.208 63.328 63.100 0.032 0.000 0.765 435 P CB 0.371 32.100 31.700 0.048 0.000 0.823 436 M N 1.590 121.201 119.600 0.018 0.000 2.528 436 M HA 0.528 5.019 4.480 0.019 0.000 0.318 436 M C 0.401 176.701 176.300 0.000 0.000 1.195 436 M CA -0.955 54.348 55.300 0.006 0.000 1.000 436 M CB 1.595 34.202 32.600 0.013 0.000 1.615 436 M HN 0.271 nan 8.290 nan 0.000 0.469 437 A N 1.552 124.358 122.820 -0.024 0.000 2.409 437 A HA 0.231 4.562 4.320 0.019 0.000 0.267 437 A C 0.966 178.545 177.584 -0.008 0.000 1.127 437 A CA -0.456 51.557 52.037 -0.040 0.000 0.795 437 A CB -0.044 18.911 19.000 -0.074 0.000 1.061 437 A HN 0.911 nan 8.150 nan 0.000 0.502 438 I N 1.788 122.368 120.570 0.017 0.000 2.182 438 I HA -0.320 3.861 4.170 0.019 0.000 0.248 438 I C 2.587 178.714 176.117 0.018 0.000 1.073 438 I CA 2.569 63.888 61.300 0.032 0.000 1.335 438 I CB -0.162 37.868 38.000 0.051 0.000 1.031 438 I HN 0.870 nan 8.210 nan 0.000 0.420 439 E N 0.239 120.438 120.200 -0.001 0.000 2.204 439 E HA -0.243 4.118 4.350 0.019 0.000 0.194 439 E C 1.799 178.391 176.600 -0.014 0.000 0.989 439 E CA 1.506 57.900 56.400 -0.010 0.000 0.824 439 E CB -0.660 29.025 29.700 -0.026 0.000 0.756 439 E HN 0.664 nan 8.360 nan 0.000 0.477 440 E N 0.908 121.097 120.200 -0.018 0.000 2.072 440 E HA -0.142 4.219 4.350 0.019 0.000 0.190 440 E C 2.332 178.946 176.600 0.022 0.000 0.982 440 E CA 1.176 57.566 56.400 -0.017 0.000 0.803 440 E CB -0.057 29.627 29.700 -0.026 0.000 0.755 440 E HN 0.398 nan 8.360 nan 0.000 0.453 441 Q N 0.398 120.216 119.800 0.031 0.000 2.050 441 Q HA -0.150 4.201 4.340 0.019 0.000 0.202 441 Q C 2.526 178.567 176.000 0.069 0.000 0.980 441 Q CA 1.937 57.769 55.803 0.049 0.000 0.840 441 Q CB -0.239 28.523 28.738 0.041 0.000 0.898 441 Q HN 0.270 nan 8.270 nan 0.000 0.424 442 V N -0.131 119.821 119.914 0.063 0.000 2.490 442 V HA -0.233 3.899 4.120 0.019 0.000 0.250 442 V C 2.271 178.444 176.094 0.132 0.000 1.061 442 V CA 1.514 63.868 62.300 0.090 0.000 1.064 442 V CB -1.526 30.341 31.823 0.074 0.000 0.670 442 V HN 0.311 nan 8.190 nan 0.000 0.461 443 A N 1.810 124.687 122.820 0.095 0.000 1.834 443 A HA -0.170 4.161 4.320 0.019 0.000 0.216 443 A C 2.528 180.277 177.584 0.274 0.000 1.203 443 A CA 3.148 55.259 52.037 0.124 0.000 0.621 443 A CB -1.196 17.825 19.000 0.036 0.000 0.841 443 A HN 0.995 nan 8.150 nan 0.000 0.446 444 V N -0.679 119.396 119.914 0.268 0.000 2.287 444 V HA -0.234 3.897 4.120 0.019 0.000 0.248 444 V C 2.161 178.343 176.094 0.148 0.000 1.053 444 V CA 2.208 64.662 62.300 0.257 0.000 1.027 444 V CB -0.928 31.017 31.823 0.204 0.000 0.646 444 V HN 0.467 nan 8.190 nan 0.000 0.447 445 I N -0.257 120.387 120.570 0.124 0.000 2.264 445 I HA -0.228 3.953 4.170 0.019 0.000 0.248 445 I C 2.563 178.743 176.117 0.104 0.000 1.111 445 I CA 2.512 63.860 61.300 0.080 0.000 1.382 445 I CB -1.600 36.440 38.000 0.066 0.000 1.060 445 I HN 0.553 nan 8.210 nan 0.000 0.418 446 Y N 2.276 122.602 120.300 0.043 0.000 2.114 446 Y HA -0.300 4.261 4.550 0.018 0.000 0.282 446 Y C 2.675 178.621 175.900 0.078 0.000 1.165 446 Y CA 2.038 60.174 58.100 0.061 0.000 1.148 446 Y CB -0.419 38.083 38.460 0.070 0.000 0.972 446 Y HN 0.134 nan 8.280 nan 0.000 0.504 447 A N 0.043 123.022 122.820 0.266 0.000 1.892 447 A HA -0.214 4.117 4.320 0.019 0.000 0.218 447 A C 2.478 180.053 177.584 -0.016 0.000 1.188 447 A CA 2.228 54.322 52.037 0.094 0.000 0.631 447 A CB -1.727 17.146 19.000 -0.211 0.000 0.822 447 A HN 0.627 nan 8.150 nan 0.000 0.447 448 G N -1.215 107.531 108.800 -0.090 0.000 2.396 448 G HA2 0.038 4.010 3.960 0.019 0.000 0.214 448 G HA3 0.038 4.010 3.960 0.019 0.000 0.214 448 G C 1.397 176.214 174.900 -0.139 0.000 1.166 448 G CA 1.008 46.023 45.100 -0.142 0.000 0.793 448 G HN 0.356 nan 8.290 nan 0.000 0.533 449 V N 0.811 120.654 119.914 -0.119 0.000 2.759 449 V HA -0.003 4.129 4.120 0.019 0.000 0.256 449 V C 2.636 178.611 176.094 -0.199 0.000 1.080 449 V CA 1.081 63.299 62.300 -0.138 0.000 1.101 449 V CB -0.358 31.403 31.823 -0.105 0.000 0.698 449 V HN 0.146 nan 8.190 nan 0.000 0.477 450 R N -0.159 120.190 120.500 -0.251 0.000 2.280 450 R HA 0.259 4.610 4.340 0.019 0.000 0.195 450 R C 1.789 177.797 176.300 -0.487 0.000 0.935 450 R CA 0.762 56.648 56.100 -0.355 0.000 1.033 450 R CB 0.168 30.238 30.300 -0.383 0.000 0.964 450 R HN 0.560 nan 8.270 nan 0.000 0.489 451 G N -0.164 108.405 108.800 -0.385 0.000 2.218 451 G HA2 -0.289 3.682 3.960 0.019 0.000 0.216 451 G HA3 -0.289 3.682 3.960 0.019 0.000 0.216 451 G C 0.443 175.109 174.900 -0.391 0.000 0.994 451 G CA -0.043 44.823 45.100 -0.390 0.000 0.637 451 G HN 0.316 nan 8.290 nan 0.000 0.505 452 Y N 0.831 121.032 120.300 -0.166 0.000 2.736 452 Y HA 0.274 4.836 4.550 0.018 0.000 0.298 452 Y C 2.262 177.989 175.900 -0.288 0.000 1.156 452 Y CA 1.315 59.313 58.100 -0.170 0.000 1.384 452 Y CB -0.149 38.239 38.460 -0.120 0.000 0.976 452 Y HN 0.394 nan 8.280 nan 0.000 0.556 453 L N -2.001 119.088 121.223 -0.224 0.000 3.086 453 L HA 0.195 4.546 4.340 0.019 0.000 0.274 453 L C 0.828 177.572 176.870 -0.208 0.000 1.184 453 L CA -0.061 54.591 54.840 -0.314 0.000 1.002 453 L CB 0.282 42.077 42.059 -0.441 0.000 1.383 453 L HN -0.072 nan 8.230 nan 0.000 0.582 454 D N 1.411 121.707 120.400 -0.174 0.000 2.123 454 D HA -0.189 4.463 4.640 0.019 0.000 0.196 454 D C 1.889 178.130 176.300 -0.099 0.000 0.992 454 D CA 1.368 55.286 54.000 -0.136 0.000 0.833 454 D CB 0.155 40.873 40.800 -0.137 0.000 0.954 454 D HN 0.059 nan 8.370 nan 0.000 0.455 455 K N -0.645 119.703 120.400 -0.086 0.000 2.555 455 K HA 0.032 4.363 4.320 0.019 0.000 0.193 455 K C -0.159 176.421 176.600 -0.033 0.000 1.032 455 K CA -0.117 56.141 56.287 -0.048 0.000 1.004 455 K CB 0.145 32.629 32.500 -0.028 0.000 0.804 455 K HN 0.015 nan 8.250 nan 0.000 0.496 456 L N 0.357 121.543 121.223 -0.061 0.000 2.313 456 L HA 0.319 4.670 4.340 0.019 0.000 0.268 456 L C -0.921 175.926 176.870 -0.039 0.000 1.010 456 L CA -0.533 54.282 54.840 -0.041 0.000 0.814 456 L CB 1.853 43.859 42.059 -0.088 0.000 1.304 456 L HN -0.094 nan 8.230 nan 0.000 0.441 457 E N 3.608 123.806 120.200 -0.004 0.000 2.167 457 E HA 0.207 4.568 4.350 0.019 0.000 0.284 457 E C -1.752 174.846 176.600 -0.004 0.000 1.016 457 E CA -1.571 54.829 56.400 0.000 0.000 0.817 457 E CB 1.208 30.922 29.700 0.024 0.000 1.080 457 E HN 0.452 nan 8.360 nan 0.000 0.397 458 P HA -0.287 nan 4.420 nan 0.000 0.221 458 P C 1.293 178.592 177.300 -0.001 0.000 1.153 458 P CA 1.333 64.417 63.100 -0.026 0.000 0.858 458 P CB 0.224 31.910 31.700 -0.024 0.000 0.783 459 S N -1.951 113.760 115.700 0.019 0.000 2.481 459 S HA -0.058 4.423 4.470 0.019 0.000 0.231 459 S C 1.563 176.201 174.600 0.065 0.000 0.996 459 S CA 0.876 59.098 58.200 0.036 0.000 0.942 459 S CB -0.494 62.728 63.200 0.036 0.000 0.768 459 S HN -0.004 nan 8.310 nan 0.000 0.520 460 K N 1.249 121.697 120.400 0.081 0.000 2.379 460 K HA 0.227 4.558 4.320 0.019 0.000 0.194 460 K C 1.728 178.408 176.600 0.134 0.000 1.031 460 K CA 0.044 56.425 56.287 0.156 0.000 1.037 460 K CB -0.311 32.328 32.500 0.233 0.000 0.824 460 K HN 0.388 nan 8.250 nan 0.000 0.516 461 I N 1.360 121.953 120.570 0.039 0.000 2.151 461 I HA -0.293 3.888 4.170 0.019 0.000 0.243 461 I C 1.856 178.016 176.117 0.071 0.000 1.080 461 I CA 1.580 62.876 61.300 -0.006 0.000 1.339 461 I CB -1.758 36.203 38.000 -0.065 0.000 1.039 461 I HN 0.104 nan 8.210 nan 0.000 0.409 462 T N 1.041 115.638 114.554 0.071 0.000 2.607 462 T HA -0.267 4.094 4.350 0.019 0.000 0.267 462 T C 1.986 176.763 174.700 0.129 0.000 1.049 462 T CA 1.957 64.106 62.100 0.082 0.000 1.162 462 T CB -0.324 68.582 68.868 0.063 0.000 0.863 462 T HN 0.320 nan 8.240 nan 0.000 0.424 463 K N -0.066 120.435 120.400 0.169 0.000 2.152 463 K HA -0.123 4.208 4.320 0.019 0.000 0.206 463 K C 2.121 178.897 176.600 0.292 0.000 1.048 463 K CA 1.204 57.636 56.287 0.242 0.000 0.933 463 K CB -0.299 32.381 32.500 0.300 0.000 0.721 463 K HN 0.358 nan 8.250 nan 0.000 0.447 464 F N 2.016 121.969 119.950 0.004 0.000 2.146 464 F HA -0.132 4.406 4.527 0.018 0.000 0.298 464 F C 2.214 177.937 175.800 -0.128 0.000 1.096 464 F CA 1.690 59.500 58.000 -0.317 0.000 1.275 464 F CB -0.265 38.451 39.000 -0.473 0.000 1.008 464 F HN 0.128 nan 8.300 nan 0.000 0.480 465 E N 0.377 120.720 120.200 0.238 0.000 2.033 465 E HA -0.309 4.052 4.350 0.019 0.000 0.199 465 E C 1.827 178.471 176.600 0.074 0.000 1.011 465 E CA 2.118 58.626 56.400 0.182 0.000 0.815 465 E CB -0.323 29.465 29.700 0.148 0.000 0.755 465 E HN 0.615 nan 8.360 nan 0.000 0.451 466 N N 0.480 119.223 118.700 0.072 0.000 2.084 466 N HA -0.176 4.575 4.740 0.019 0.000 0.190 466 N C 1.843 177.370 175.510 0.029 0.000 1.030 466 N CA 1.490 54.571 53.050 0.051 0.000 0.849 466 N CB -0.323 38.208 38.487 0.073 0.000 1.012 466 N HN 0.205 nan 8.380 nan 0.000 0.423 467 A N 0.604 123.469 122.820 0.075 0.000 1.902 467 A HA -0.142 4.189 4.320 0.019 0.000 0.217 467 A C 2.009 179.549 177.584 -0.073 0.000 1.181 467 A CA 1.218 53.352 52.037 0.162 0.000 0.623 467 A CB -0.936 18.339 19.000 0.459 0.000 0.818 467 A HN 0.458 nan 8.150 nan 0.000 0.443 468 F N -0.601 118.868 119.950 -0.800 0.000 2.367 468 F HA 0.057 4.595 4.527 0.018 0.000 0.298 468 F C 1.613 177.020 175.800 -0.655 0.000 1.094 468 F CA 0.978 58.029 58.000 -1.582 0.000 1.409 468 F CB -0.018 37.748 39.000 -2.056 0.000 1.064 468 F HN 0.165 nan 8.300 nan 0.000 0.528 469 L N 0.514 121.505 121.223 -0.386 0.000 2.068 469 L HA -0.053 4.298 4.340 0.019 0.000 0.204 469 L C 2.853 179.585 176.870 -0.230 0.000 1.076 469 L CA 2.105 56.762 54.840 -0.305 0.000 0.753 469 L CB -1.290 40.714 42.059 -0.093 0.000 0.910 469 L HN 0.346 nan 8.230 nan 0.000 0.439 470 S N -1.565 114.065 115.700 -0.116 0.000 2.383 470 S HA -0.314 4.167 4.470 0.019 0.000 0.229 470 S C 2.206 176.779 174.600 -0.045 0.000 1.030 470 S CA 1.428 59.597 58.200 -0.052 0.000 1.002 470 S CB -1.029 62.178 63.200 0.011 0.000 0.829 470 S HN 0.677 nan 8.310 nan 0.000 0.467 471 H N 1.656 120.634 119.070 -0.153 0.000 2.265 471 H HA -0.111 4.456 4.556 0.018 0.000 0.295 471 H C 2.354 177.609 175.328 -0.121 0.000 1.084 471 H CA 2.642 58.635 56.048 -0.093 0.000 1.261 471 H CB -0.463 29.256 29.762 -0.071 0.000 1.360 471 H HN 0.491 nan 8.280 nan 0.000 0.487 472 V N -0.715 119.019 119.914 -0.301 0.000 2.970 472 V HA -0.055 4.077 4.120 0.019 0.000 0.260 472 V C 2.382 178.379 176.094 -0.161 0.000 1.100 472 V CA 1.231 63.373 62.300 -0.263 0.000 1.122 472 V CB -0.692 30.844 31.823 -0.479 0.000 0.721 472 V HN 0.302 nan 8.190 nan 0.000 0.483 473 I N 1.114 121.584 120.570 -0.167 0.000 2.400 473 I HA -0.094 4.088 4.170 0.019 0.000 0.248 473 I C 2.828 178.883 176.117 -0.103 0.000 1.109 473 I CA 1.529 62.757 61.300 -0.119 0.000 1.425 473 I CB -0.295 37.644 38.000 -0.103 0.000 1.094 473 I HN 0.461 nan 8.210 nan 0.000 0.425 474 S N 0.437 116.073 115.700 -0.107 0.000 2.336 474 S HA -0.191 4.291 4.470 0.019 0.000 0.214 474 S C 2.098 176.611 174.600 -0.146 0.000 1.032 474 S CA 1.130 59.267 58.200 -0.104 0.000 1.001 474 S CB -0.194 62.957 63.200 -0.082 0.000 0.953 474 S HN 0.291 nan 8.310 nan 0.000 0.430 475 Q N 0.426 120.103 119.800 -0.204 0.000 2.083 475 Q HA 0.016 4.367 4.340 0.019 0.000 0.198 475 Q C 0.518 176.231 176.000 -0.479 0.000 0.969 475 Q CA 1.341 56.944 55.803 -0.334 0.000 0.838 475 Q CB -0.495 27.989 28.738 -0.422 0.000 0.900 475 Q HN 0.791 nan 8.270 nan 0.000 0.436 476 H N 0.306 119.245 119.070 -0.217 0.000 2.476 476 H HA 0.215 4.782 4.556 0.018 0.000 0.256 476 H C 0.850 176.094 175.328 -0.140 0.000 1.321 476 H CA -0.158 55.789 56.048 -0.168 0.000 1.056 476 H CB 0.373 30.026 29.762 -0.182 0.000 1.643 476 H HN 0.085 nan 8.280 nan 0.000 0.541 477 Q N 0.432 120.189 119.800 -0.071 0.000 2.364 477 Q HA -0.074 4.277 4.340 0.019 0.000 0.209 477 Q C 2.077 178.047 176.000 -0.049 0.000 0.977 477 Q CA 0.904 56.670 55.803 -0.063 0.000 0.885 477 Q CB 0.152 28.846 28.738 -0.074 0.000 0.941 477 Q HN 0.647 nan 8.270 nan 0.000 0.464 478 A N 1.023 123.815 122.820 -0.047 0.000 1.933 478 A HA -0.126 4.205 4.320 0.019 0.000 0.218 478 A C 1.963 179.535 177.584 -0.019 0.000 1.175 478 A CA 0.897 52.912 52.037 -0.036 0.000 0.628 478 A CB -0.377 18.596 19.000 -0.045 0.000 0.814 478 A HN 0.355 nan 8.150 nan 0.000 0.444 479 L N -0.583 120.639 121.223 -0.002 0.000 2.168 479 L HA 0.070 4.421 4.340 0.019 0.000 0.203 479 L C 2.232 179.079 176.870 -0.039 0.000 1.078 479 L CA 1.204 56.033 54.840 -0.018 0.000 0.780 479 L CB -0.771 41.277 42.059 -0.020 0.000 0.939 479 L HN 0.404 nan 8.230 nan 0.000 0.451 480 L N 0.864 122.060 121.223 -0.044 0.000 1.971 480 L HA -0.242 4.109 4.340 0.019 0.000 0.215 480 L C 3.074 179.918 176.870 -0.044 0.000 1.072 480 L CA 1.946 56.753 54.840 -0.055 0.000 0.758 480 L CB -1.296 40.724 42.059 -0.065 0.000 0.889 480 L HN 0.426 nan 8.230 nan 0.000 0.433 481 S N 0.641 116.316 115.700 -0.042 0.000 2.392 481 S HA -0.277 4.204 4.470 0.019 0.000 0.232 481 S C 1.973 176.556 174.600 -0.028 0.000 1.041 481 S CA 2.271 60.449 58.200 -0.037 0.000 1.026 481 S CB -0.478 nan 63.200 nan 0.000 0.845 481 S HN 0.459 nan 8.310 nan 0.000 0.465 482 K N 0.672 121.057 120.400 -0.025 0.000 1.985 482 K HA 0.074 4.405 4.320 0.019 0.000 0.210 482 K C 1.887 178.477 176.600 -0.016 0.000 1.047 482 K CA 1.362 57.638 56.287 -0.018 0.000 0.932 482 K CB -0.555 31.935 32.500 -0.017 0.000 0.716 482 K HN 0.429 nan 8.250 nan 0.000 0.439 483 I N 1.587 122.144 120.570 -0.021 0.000 2.091 483 I HA -0.390 3.791 4.170 0.019 0.000 0.240 483 I C 2.963 179.075 176.117 -0.008 0.000 1.046 483 I CA 1.594 62.885 61.300 -0.016 0.000 1.306 483 I CB -0.364 37.620 38.000 -0.026 0.000 1.018 483 I HN 0.282 nan 8.210 nan 0.000 0.404 484 R N 0.517 121.008 120.500 -0.015 0.000 2.083 484 R HA -0.177 4.175 4.340 0.019 0.000 0.237 484 R C 2.143 178.440 176.300 -0.005 0.000 1.137 484 R CA 2.555 58.648 56.100 -0.011 0.000 0.951 484 R CB -0.873 29.411 30.300 -0.026 0.000 0.851 484 R HN 0.300 nan 8.270 nan 0.000 0.434 485 T N 1.273 115.822 114.554 -0.009 0.000 2.698 485 T HA -0.084 4.277 4.350 0.019 0.000 0.260 485 T C 1.197 175.898 174.700 0.001 0.000 1.044 485 T CA 1.613 63.711 62.100 -0.004 0.000 1.149 485 T CB -0.405 68.457 68.868 -0.009 0.000 0.864 485 T HN 0.310 nan 8.240 nan 0.000 0.419 486 D N 0.398 120.798 120.400 -0.000 0.000 2.126 486 D HA -0.042 4.609 4.640 0.019 0.000 0.190 486 D C 1.715 178.020 176.300 0.008 0.000 1.001 486 D CA 1.877 55.879 54.000 0.004 0.000 0.841 486 D CB -0.555 40.247 40.800 0.004 0.000 0.949 486 D HN 0.573 nan 8.370 nan 0.000 0.446 487 G N -0.333 108.473 108.800 0.009 0.000 2.175 487 G HA2 -0.289 3.682 3.960 0.019 0.000 0.244 487 G HA3 -0.289 3.682 3.960 0.019 0.000 0.244 487 G C 0.396 175.306 174.900 0.017 0.000 0.982 487 G CA 0.544 45.653 45.100 0.014 0.000 0.641 487 G HN 0.571 nan 8.290 nan 0.000 0.527 488 K N -0.671 119.739 120.400 0.017 0.000 2.430 488 K HA 0.783 5.114 4.320 0.019 0.000 0.268 488 K C -1.027 175.587 176.600 0.023 0.000 1.043 488 K CA -1.246 55.055 56.287 0.022 0.000 0.899 488 K CB 1.237 33.749 32.500 0.021 0.000 1.472 488 K HN 0.065 nan 8.250 nan 0.000 0.451 489 I N 3.019 123.609 120.570 0.034 0.000 2.412 489 I HA 0.140 4.321 4.170 0.019 0.000 0.279 489 I C -0.190 175.949 176.117 0.037 0.000 1.063 489 I CA -0.552 60.770 61.300 0.037 0.000 1.193 489 I CB 1.398 39.438 38.000 0.068 0.000 1.370 489 I HN 0.546 nan 8.210 nan 0.000 0.479 490 S N 3.601 119.315 115.700 0.023 0.000 2.589 490 S HA 0.156 4.637 4.470 0.019 0.000 0.265 490 S C 1.129 175.746 174.600 0.028 0.000 1.342 490 S CA -0.696 57.517 58.200 0.023 0.000 1.005 490 S CB 1.152 64.360 63.200 0.014 0.000 0.909 490 S HN 0.566 nan 8.310 nan 0.000 0.555 491 E N 0.564 120.782 120.200 0.030 0.000 2.130 491 E HA -0.222 4.139 4.350 0.019 0.000 0.196 491 E C 1.798 178.417 176.600 0.031 0.000 0.998 491 E CA 1.167 57.589 56.400 0.036 0.000 0.806 491 E CB -0.065 29.654 29.700 0.032 0.000 0.738 491 E HN 0.675 nan 8.360 nan 0.000 0.459 492 E N 0.544 120.755 120.200 0.019 0.000 2.046 492 E HA -0.079 4.283 4.350 0.019 0.000 0.190 492 E C 2.199 178.799 176.600 0.001 0.000 0.982 492 E CA 0.587 56.994 56.400 0.013 0.000 0.800 492 E CB 0.042 29.748 29.700 0.009 0.000 0.756 492 E HN 0.009 nan 8.360 nan 0.000 0.449 493 S N 1.008 116.704 115.700 -0.006 0.000 2.359 493 S HA -0.208 4.273 4.470 0.019 0.000 0.224 493 S C 1.671 176.237 174.600 -0.056 0.000 1.035 493 S CA 1.676 59.857 58.200 -0.031 0.000 1.018 493 S CB -0.368 62.817 63.200 -0.026 0.000 0.876 493 S HN 0.402 nan 8.310 nan 0.000 0.448 494 D N 1.172 121.566 120.400 -0.011 0.000 2.117 494 D HA -0.030 4.621 4.640 0.019 0.000 0.198 494 D C 1.941 178.256 176.300 0.026 0.000 0.982 494 D CA 1.250 55.261 54.000 0.019 0.000 0.828 494 D CB -0.305 40.569 40.800 0.124 0.000 0.967 494 D HN 0.306 nan 8.370 nan 0.000 0.464 495 A N 0.465 123.306 122.820 0.036 0.000 1.877 495 A HA -0.199 4.132 4.320 0.019 0.000 0.216 495 A C 2.178 179.768 177.584 0.009 0.000 1.186 495 A CA 1.893 53.956 52.037 0.043 0.000 0.620 495 A CB -0.759 18.264 19.000 0.038 0.000 0.822 495 A HN 0.291 nan 8.150 nan 0.000 0.443 496 K N -0.925 119.463 120.400 -0.021 0.000 2.057 496 K HA -0.122 4.209 4.320 0.019 0.000 0.207 496 K C 1.895 178.433 176.600 -0.104 0.000 1.049 496 K CA 1.448 57.712 56.287 -0.040 0.000 0.931 496 K CB -0.290 32.189 32.500 -0.034 0.000 0.714 496 K HN 0.299 nan 8.250 nan 0.000 0.440 497 L N 2.028 123.142 121.223 -0.182 0.000 2.017 497 L HA -0.180 4.171 4.340 0.019 0.000 0.208 497 L C 2.365 179.057 176.870 -0.297 0.000 1.073 497 L CA 1.863 56.500 54.840 -0.339 0.000 0.745 497 L CB -0.586 41.103 42.059 -0.615 0.000 0.894 497 L HN 0.175 nan 8.230 nan 0.000 0.432 498 K N -0.535 119.769 120.400 -0.160 0.000 2.059 498 K HA -0.303 4.028 4.320 0.019 0.000 0.212 498 K C 2.144 178.700 176.600 -0.074 0.000 1.050 498 K CA 2.235 58.511 56.287 -0.019 0.000 0.927 498 K CB -0.288 32.328 32.500 0.193 0.000 0.714 498 K HN 0.504 nan 8.250 nan 0.000 0.447 499 E N 0.316 120.505 120.200 -0.019 0.000 2.106 499 E HA -0.161 4.200 4.350 0.019 0.000 0.192 499 E C 2.088 178.690 176.600 0.004 0.000 0.984 499 E CA 1.137 57.545 56.400 0.014 0.000 0.806 499 E CB -0.064 29.654 29.700 0.030 0.000 0.750 499 E HN 0.401 nan 8.360 nan 0.000 0.458 500 I N 0.856 121.397 120.570 -0.048 0.000 2.208 500 I HA -0.267 3.914 4.170 0.019 0.000 0.245 500 I C 2.549 178.723 176.117 0.096 0.000 1.097 500 I CA 1.117 62.395 61.300 -0.036 0.000 1.363 500 I CB -0.385 37.475 38.000 -0.233 0.000 1.051 500 I HN 0.138 nan 8.210 nan 0.000 0.413 501 V N -2.691 117.220 119.914 -0.006 0.000 2.453 501 V HA -0.185 3.946 4.120 0.019 0.000 0.247 501 V C 2.307 178.435 176.094 0.056 0.000 1.048 501 V CA 2.012 64.320 62.300 0.013 0.000 1.049 501 V CB -1.445 30.125 31.823 -0.420 0.000 0.672 501 V HN 0.324 nan 8.190 nan 0.000 0.457 502 T N 1.719 116.260 114.554 -0.021 0.000 2.570 502 T HA -0.259 4.102 4.350 0.019 0.000 0.266 502 T C 1.773 176.556 174.700 0.139 0.000 1.071 502 T CA 2.878 65.036 62.100 0.097 0.000 1.172 502 T CB -0.680 68.245 68.868 0.094 0.000 0.864 502 T HN 0.741 nan 8.240 nan 0.000 0.421 503 N N 0.093 118.872 118.700 0.131 0.000 2.058 503 N HA -0.038 4.713 4.740 0.019 0.000 0.191 503 N C 1.695 177.285 175.510 0.133 0.000 1.037 503 N CA 1.070 54.195 53.050 0.126 0.000 0.848 503 N CB -0.350 38.212 38.487 0.125 0.000 1.021 503 N HN 0.248 nan 8.380 nan 0.000 0.422 504 F N 1.888 121.862 119.950 0.040 0.000 2.115 504 F HA -0.239 4.299 4.527 0.019 0.000 0.300 504 F C 2.009 177.844 175.800 0.060 0.000 1.092 504 F CA 1.194 59.164 58.000 -0.050 0.000 1.245 504 F CB -0.200 38.753 39.000 -0.078 0.000 0.995 504 F HN 0.020 nan 8.300 nan 0.000 0.481 505 L N 0.511 121.937 121.223 0.339 0.000 1.955 505 L HA -0.242 4.109 4.340 0.019 0.000 0.213 505 L C 2.788 179.764 176.870 0.176 0.000 1.072 505 L CA 2.201 57.234 54.840 0.323 0.000 0.755 505 L CB -2.049 40.179 42.059 0.282 0.000 0.888 505 L HN 0.294 nan 8.230 nan 0.000 0.432 506 A N -0.836 122.057 122.820 0.121 0.000 2.093 506 A HA -0.173 4.159 4.320 0.019 0.000 0.222 506 A C 2.100 179.696 177.584 0.019 0.000 1.162 506 A CA 1.855 53.935 52.037 0.071 0.000 0.655 506 A CB -0.915 18.123 19.000 0.064 0.000 0.805 506 A HN 0.562 nan 8.150 nan 0.000 0.461 507 G N -2.786 105.986 108.800 -0.047 0.000 3.044 507 G HA2 0.325 4.296 3.960 0.019 0.000 0.223 507 G HA3 0.325 4.296 3.960 0.019 0.000 0.223 507 G C 0.151 174.960 174.900 -0.151 0.000 1.123 507 G CA -0.342 44.688 45.100 -0.118 0.000 0.765 507 G HN 0.291 nan 8.290 nan 0.000 0.546 508 F N 2.432 122.220 119.950 -0.270 0.000 2.571 508 F HA 0.343 4.881 4.527 0.018 0.000 0.384 508 F C 0.622 176.374 175.800 -0.079 0.000 1.058 508 F CA -1.192 56.681 58.000 -0.212 0.000 1.200 508 F CB 0.862 39.850 39.000 -0.019 0.000 1.077 508 F HN 0.067 nan 8.300 nan 0.000 0.558 509 E N 5.368 125.132 120.200 -0.727 0.000 2.259 509 E HA 0.491 4.852 4.350 0.019 0.000 0.281 509 E C -0.304 175.951 176.600 -0.575 0.000 1.037 509 E CA -0.452 55.647 56.400 -0.501 0.000 0.854 509 E CB 0.971 30.439 29.700 -0.387 0.000 1.051 509 E HN 0.732 nan 8.360 nan 0.000 0.409 510 A N 0.000 122.690 122.820 -0.216 0.000 2.254 510 A HA 0.000 4.331 4.320 0.019 0.000 0.244 510 A CA 0.000 51.994 52.037 -0.072 0.000 0.836 510 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486