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 1mpx_1_B DATA FIRST_RESID 24 DATA SEQUENCE TSPXTPDITG KPFVAADASN DYIKREVXIP XRDGVKLHTV IVLPKGAKNA DATA SEQUENCE PIVLTRTPYD ASGRTERLAS PHXKDLLSAG DDVFVEGGYI RVFQDVRGKY DATA SEQUENCE GSEGDYVXTR PLRGPLNPSE VDHATDAWDT IDWLVKNVSE SNGKVGXIGS DATA SEQUENCE SYEGFTVVXA LTNPHPALKV AVPESPXIDG WXGDDWFNYG AFRQVNFDYF DATA SEQUENCE TGQLSKRGKG AGIARQGHDD YSNFLQAGSA GDFAKAAGLE QLPWWHKLTE DATA SEQUENCE HAAYDAFWQE QALDKVXART PLKVPTXWLQ GLWDQEDXWG AIHSYAAXEP DATA SEQUENCE RDKRNTLNYL VXGPWRHSQV NYDGSALGAL NFEGDTARQF RHDVLRPFFD DATA SEQUENCE QYLVDGAPKA DTPPVFIYNT GENHWDRLKA WPRScDKGcA ATSKPLYLQA DATA SEQUENCE GGKLSFQPPV AGQAGFEEYV SDPAKPVPFV PRPVDFADRA XWTTWLVHDQ DATA SEQUENCE RFVDGRPDVL TFVTEPLTEP LQIAGAPDVH LQASTSGSDS DWVVKLIDVY DATA SEQUENCE PEEXASNPKX GGYELPVSLA IFRGRYRESF STPKPLTSNQ PLAFQFGLPT DATA SEQUENCE ANHTFQPGHR VXVQVQSSLF PLYDRNPQTY VPNIFFAKPG DYQKATQRVY DATA SEQUENCE VSPEQPSYIS LPVR 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 T HA 0.000 nan 4.350 nan 0.000 0.228 24 T C 0.000 174.704 174.700 0.007 0.000 1.109 24 T CA 0.000 62.105 62.100 0.008 0.000 1.349 24 T CB 0.000 68.874 68.868 0.010 0.000 0.612 25 S N 3.546 119.250 115.700 0.007 0.000 2.549 25 S HA 0.409 4.879 4.470 0.000 0.000 0.283 25 S C -1.863 172.740 174.600 0.006 0.000 1.320 25 S CA -0.681 57.522 58.200 0.006 0.000 1.058 25 S CB -0.032 63.171 63.200 0.006 0.000 0.882 25 S HN 0.369 nan 8.310 nan 0.000 0.498 29 P HA 0.162 nan 4.420 nan 0.000 0.260 29 P C 0.425 177.732 177.300 0.012 0.000 1.185 29 P CA 0.039 63.145 63.100 0.010 0.000 0.763 29 P CB 0.516 32.222 31.700 0.011 0.000 0.776 30 D N 1.800 122.205 120.400 0.008 0.000 2.312 30 D HA -0.008 4.632 4.640 0.000 0.000 0.211 30 D C 0.611 176.916 176.300 0.009 0.000 0.964 30 D CA 0.999 55.004 54.000 0.007 0.000 0.877 30 D CB 0.331 41.130 40.800 -0.001 0.000 0.924 30 D HN 0.392 nan 8.370 nan 0.000 0.515 31 I N 2.000 122.576 120.570 0.010 0.000 2.337 31 I HA 0.035 4.205 4.170 0.000 0.000 0.285 31 I C 0.696 176.829 176.117 0.027 0.000 1.041 31 I CA -0.429 60.881 61.300 0.016 0.000 1.199 31 I CB 1.387 39.391 38.000 0.006 0.000 1.370 31 I HN -0.190 nan 8.210 nan 0.000 0.470 32 T N 1.595 116.175 114.554 0.043 0.000 2.813 32 T HA 0.198 4.548 4.350 0.000 0.000 0.297 32 T C 1.418 176.141 174.700 0.038 0.000 1.036 32 T CA -0.168 61.957 62.100 0.041 0.000 1.044 32 T CB 1.623 70.523 68.868 0.053 0.000 0.993 32 T HN 0.655 nan 8.240 nan 0.000 0.535 33 G N 0.006 108.823 108.800 0.029 0.000 2.408 33 G HA2 -0.057 3.903 3.960 0.000 0.000 0.217 33 G HA3 -0.057 3.903 3.960 0.000 0.000 0.217 33 G C 0.598 175.514 174.900 0.028 0.000 1.150 33 G CA 0.130 45.245 45.100 0.025 0.000 0.776 33 G HN 0.796 nan 8.290 nan 0.000 0.542 34 K N 1.715 122.133 120.400 0.030 0.000 2.284 34 K HA 0.299 4.619 4.320 0.000 0.000 0.287 34 K C -2.382 174.246 176.600 0.046 0.000 1.081 34 K CA -1.834 54.470 56.287 0.029 0.000 0.910 34 K CB 0.936 33.447 32.500 0.019 0.000 1.088 34 K HN -0.044 nan 8.250 nan 0.000 0.478 35 P HA -0.132 nan 4.420 nan 0.000 0.265 35 P C -0.628 176.732 177.300 0.100 0.000 1.187 35 P CA 0.036 63.183 63.100 0.079 0.000 0.766 35 P CB 0.222 31.957 31.700 0.059 0.000 0.820 36 F N 4.028 123.982 119.950 0.007 0.000 2.484 36 F HA 0.240 4.767 4.527 0.000 0.000 0.360 36 F C -0.432 175.373 175.800 0.009 0.000 1.101 36 F CA 0.052 58.057 58.000 0.007 0.000 1.251 36 F CB 0.494 39.498 39.000 0.007 0.000 1.132 36 F HN -0.010 nan 8.300 nan 0.000 0.570 37 V N 6.881 126.356 119.914 -0.732 0.000 2.378 37 V HA 0.564 4.684 4.120 0.000 0.000 0.288 37 V C 0.192 175.840 176.094 -0.744 0.000 1.016 37 V CA -0.898 61.106 62.300 -0.493 0.000 0.840 37 V CB 0.861 32.516 31.823 -0.280 0.000 0.994 37 V HN 1.069 nan 8.190 nan 0.000 0.431 38 A N 4.129 126.759 122.820 -0.317 0.000 2.462 38 A HA 0.686 5.006 4.320 0.000 0.000 0.243 38 A C 0.793 178.303 177.584 -0.123 0.000 1.076 38 A CA 0.386 52.359 52.037 -0.107 0.000 0.773 38 A CB 0.304 19.374 19.000 0.117 0.000 1.010 38 A HN 1.401 nan 8.150 nan 0.000 0.493 39 A N 1.763 124.536 122.820 -0.079 0.000 2.407 39 A HA 0.480 4.800 4.320 0.000 0.000 0.248 39 A C 0.349 177.902 177.584 -0.052 0.000 1.082 39 A CA 0.360 52.356 52.037 -0.069 0.000 0.785 39 A CB 0.089 19.065 19.000 -0.039 0.000 1.020 39 A HN 1.054 nan 8.150 nan 0.000 0.489 40 D N -0.208 120.150 120.400 -0.071 0.000 2.672 40 D HA 0.268 4.908 4.640 0.000 0.000 0.287 40 D C 0.756 176.985 176.300 -0.118 0.000 1.559 40 D CA 0.393 54.334 54.000 -0.099 0.000 0.796 40 D CB -0.518 40.218 40.800 -0.107 0.000 1.181 40 D HN 0.428 nan 8.370 nan 0.000 0.458 41 A N 0.915 123.684 122.820 -0.085 0.000 1.933 41 A HA -0.110 4.210 4.320 0.000 0.000 0.218 41 A C 2.133 179.668 177.584 -0.081 0.000 1.175 41 A CA 1.873 53.866 52.037 -0.075 0.000 0.628 41 A CB -0.617 18.354 19.000 -0.050 0.000 0.814 41 A HN 0.406 nan 8.150 nan 0.000 0.444 42 S N -0.137 115.514 115.700 -0.082 0.000 2.603 42 S HA 0.031 4.501 4.470 0.000 0.000 0.220 42 S C 0.375 174.905 174.600 -0.116 0.000 0.967 42 S CA -0.318 57.838 58.200 -0.073 0.000 0.920 42 S CB -0.578 62.590 63.200 -0.053 0.000 0.773 42 S HN 0.430 nan 8.310 nan 0.000 0.529 43 N N 3.821 122.398 118.700 -0.205 0.000 2.454 43 N HA 0.108 4.848 4.740 0.000 0.000 0.254 43 N C 0.141 175.499 175.510 -0.252 0.000 1.228 43 N CA 0.410 53.237 53.050 -0.372 0.000 0.900 43 N CB 0.682 38.716 38.487 -0.756 0.000 1.089 43 N HN 0.550 nan 8.380 nan 0.000 0.449 44 D N -0.411 119.918 120.400 -0.119 0.000 2.388 44 D HA 0.022 4.662 4.640 0.000 0.000 0.221 44 D C -0.318 176.047 176.300 0.109 0.000 1.133 44 D CA -0.101 53.920 54.000 0.036 0.000 0.831 44 D CB -0.471 40.413 40.800 0.141 0.000 0.962 44 D HN 0.581 nan 8.370 nan 0.000 0.502 45 Y N -2.097 118.225 120.300 0.036 0.000 2.677 45 Y HA 0.682 5.232 4.550 0.000 0.000 0.334 45 Y C -1.347 174.570 175.900 0.029 0.000 1.154 45 Y CA -1.851 56.273 58.100 0.039 0.000 1.070 45 Y CB 1.204 39.693 38.460 0.049 0.000 1.294 45 Y HN -0.273 nan 8.280 nan 0.000 0.475 46 I N 2.279 122.986 120.570 0.229 0.000 2.478 46 I HA 0.346 4.516 4.170 0.000 0.000 0.287 46 I C -0.883 175.387 176.117 0.254 0.000 1.042 46 I CA -0.926 60.460 61.300 0.143 0.000 1.067 46 I CB 1.735 39.779 38.000 0.072 0.000 1.233 46 I HN 0.730 nan 8.210 nan 0.000 0.431 47 K N 6.883 127.440 120.400 0.262 0.000 2.234 47 K HA 0.455 4.775 4.320 0.000 0.000 0.277 47 K C -0.438 176.238 176.600 0.128 0.000 1.038 47 K CA -0.560 55.848 56.287 0.203 0.000 0.888 47 K CB 1.392 34.025 32.500 0.221 0.000 1.091 47 K HN 0.603 nan 8.250 nan 0.000 0.467 48 R N 3.864 124.428 120.500 0.106 0.000 2.439 48 R HA 0.207 4.548 4.340 0.000 0.000 0.310 48 R C -1.084 175.262 176.300 0.076 0.000 0.955 48 R CA -0.498 55.657 56.100 0.092 0.000 0.853 48 R CB 1.275 31.635 30.300 0.099 0.000 1.171 48 R HN 0.710 nan 8.270 nan 0.000 0.449 49 E N 2.705 122.951 120.200 0.076 0.000 2.242 49 E HA 0.412 4.762 4.350 0.000 0.000 0.275 49 E C -0.487 176.144 176.600 0.051 0.000 1.002 49 E CA -0.835 55.598 56.400 0.054 0.000 0.841 49 E CB 2.178 31.959 29.700 0.134 0.000 1.109 49 E HN 0.465 nan 8.360 nan 0.000 0.394 56 D N 1.220 121.636 120.400 0.027 0.000 2.342 56 D HA 0.203 4.843 4.640 0.000 0.000 0.221 56 D C 1.196 177.509 176.300 0.022 0.000 1.101 56 D CA 0.712 54.724 54.000 0.020 0.000 0.837 56 D CB 0.766 41.574 40.800 0.013 0.000 0.938 56 D HN 0.538 nan 8.370 nan 0.000 0.508 57 G N -0.191 108.626 108.800 0.028 0.000 2.253 57 G HA2 -0.296 3.664 3.960 0.000 0.000 0.251 57 G HA3 -0.296 3.664 3.960 0.000 0.000 0.251 57 G C 0.298 175.210 174.900 0.021 0.000 0.998 57 G CA 0.199 45.314 45.100 0.026 0.000 0.621 57 G HN 0.390 nan 8.290 nan 0.000 0.524 58 V N 2.007 121.933 119.914 0.020 0.000 2.585 58 V HA 0.316 4.436 4.120 0.000 0.000 0.296 58 V C 0.791 176.892 176.094 0.011 0.000 1.035 58 V CA 0.481 62.792 62.300 0.018 0.000 1.084 58 V CB 1.265 33.102 31.823 0.022 0.000 0.953 58 V HN 0.355 nan 8.190 nan 0.000 0.483 59 K N 5.640 126.044 120.400 0.007 0.000 2.185 59 K HA 0.598 4.918 4.320 0.000 0.000 0.269 59 K C -0.981 175.621 176.600 0.004 0.000 0.987 59 K CA -0.488 55.791 56.287 -0.013 0.000 0.865 59 K CB 1.464 33.954 32.500 -0.016 0.000 1.090 59 K HN 0.495 nan 8.250 nan 0.000 0.450 60 L N 2.984 124.197 121.223 -0.018 0.000 2.296 60 L HA 0.258 4.598 4.340 0.000 0.000 0.286 60 L C 0.401 177.284 176.870 0.022 0.000 1.023 60 L CA -0.819 54.034 54.840 0.021 0.000 0.812 60 L CB 1.067 43.136 42.059 0.017 0.000 1.223 60 L HN 0.639 nan 8.230 nan 0.000 0.421 61 H N 3.177 122.237 119.070 -0.017 0.000 2.899 61 H HA 0.176 4.732 4.556 0.000 0.000 0.303 61 H C -1.152 174.170 175.328 -0.010 0.000 1.042 61 H CA 0.002 56.040 56.048 -0.016 0.000 1.479 61 H CB 0.690 30.465 29.762 0.021 0.000 1.493 61 H HN 0.547 nan 8.280 nan 0.000 0.534 62 T N 5.813 120.133 114.554 -0.390 0.000 2.881 62 T HA 0.272 4.622 4.350 0.000 0.000 0.290 62 T C -0.546 173.957 174.700 -0.329 0.000 1.000 62 T CA -0.714 61.199 62.100 -0.312 0.000 0.978 62 T CB 1.725 70.470 68.868 -0.205 0.000 0.997 62 T HN 0.359 nan 8.240 nan 0.000 0.443 63 V N 4.400 124.185 119.914 -0.216 0.000 2.417 63 V HA 0.542 4.662 4.120 0.000 0.000 0.291 63 V C -0.327 175.776 176.094 0.015 0.000 1.024 63 V CA -0.789 61.453 62.300 -0.098 0.000 0.861 63 V CB 1.233 33.015 31.823 -0.068 0.000 0.985 63 V HN 0.797 nan 8.190 nan 0.000 0.436 64 I N 5.048 125.642 120.570 0.040 0.000 2.382 64 I HA 0.447 4.617 4.170 0.000 0.000 0.286 64 I C -0.633 175.537 176.117 0.087 0.000 1.002 64 I CA -0.735 60.608 61.300 0.071 0.000 1.135 64 I CB 1.977 40.030 38.000 0.088 0.000 1.288 64 I HN 0.281 nan 8.210 nan 0.000 0.448 65 V N 7.592 127.560 119.914 0.089 0.000 2.328 65 V HA 0.418 4.538 4.120 0.000 0.000 0.278 65 V C -0.173 175.988 176.094 0.111 0.000 1.021 65 V CA -0.480 61.877 62.300 0.095 0.000 0.838 65 V CB 1.263 33.104 31.823 0.030 0.000 0.999 65 V HN 0.430 nan 8.190 nan 0.000 0.447 66 L N 7.701 129.007 121.223 0.139 0.000 2.329 66 L HA 0.598 4.938 4.340 0.000 0.000 0.279 66 L C -2.460 174.502 176.870 0.152 0.000 1.014 66 L CA -1.722 53.191 54.840 0.121 0.000 0.814 66 L CB 1.544 43.658 42.059 0.092 0.000 1.257 66 L HN 0.373 nan 8.230 nan 0.000 0.424 67 P HA 0.096 nan 4.420 nan 0.000 0.268 67 P C -0.816 176.541 177.300 0.095 0.000 1.205 67 P CA -0.386 62.794 63.100 0.133 0.000 0.771 67 P CB 0.423 32.187 31.700 0.105 0.000 0.858 68 K N 1.776 122.228 120.400 0.085 0.000 2.448 68 K HA 0.268 4.588 4.320 0.000 0.000 0.278 68 K C 1.261 177.882 176.600 0.034 0.000 1.009 68 K CA 0.949 57.262 56.287 0.044 0.000 0.995 68 K CB -0.296 32.216 32.500 0.020 0.000 0.917 68 K HN 0.838 nan 8.250 nan 0.000 0.481 69 G N 1.309 110.121 108.800 0.021 0.000 2.157 69 G HA2 -0.304 3.656 3.960 0.000 0.000 0.248 69 G HA3 -0.304 3.656 3.960 0.000 0.000 0.248 69 G C 0.205 175.110 174.900 0.009 0.000 0.979 69 G CA 0.050 45.157 45.100 0.012 0.000 0.650 69 G HN 0.841 nan 8.290 nan 0.000 0.529 70 A N 0.029 122.858 122.820 0.015 0.000 2.520 70 A HA 0.560 4.880 4.320 0.000 0.000 0.245 70 A C 0.500 178.078 177.584 -0.010 0.000 1.072 70 A CA 1.454 53.493 52.037 0.005 0.000 0.761 70 A CB 0.324 19.334 19.000 0.017 0.000 1.004 70 A HN 0.949 nan 8.150 nan 0.000 0.499 71 K N 2.271 122.656 120.400 -0.025 0.000 2.535 71 K HA 0.355 4.675 4.320 0.000 0.000 0.251 71 K C -0.322 176.249 176.600 -0.048 0.000 0.942 71 K CA -0.476 55.792 56.287 -0.032 0.000 0.798 71 K CB 0.739 33.223 32.500 -0.027 0.000 1.267 71 K HN 0.789 nan 8.250 nan 0.000 0.434 72 N N 0.876 119.544 118.700 -0.053 0.000 2.727 72 N HA -0.260 4.480 4.740 0.000 0.000 0.249 72 N C -1.255 174.201 175.510 -0.091 0.000 1.048 72 N CA 0.831 53.841 53.050 -0.067 0.000 0.714 72 N CB -0.520 37.930 38.487 -0.063 0.000 0.959 72 N HN 0.586 nan 8.380 nan 0.000 0.544 73 A N 0.327 123.092 122.820 -0.091 0.000 2.306 73 A HA 0.650 4.970 4.320 0.000 0.000 0.314 73 A C -2.020 175.482 177.584 -0.138 0.000 1.164 73 A CA -1.308 50.650 52.037 -0.131 0.000 0.822 73 A CB 0.902 19.844 19.000 -0.096 0.000 1.130 73 A HN 0.066 nan 8.150 nan 0.000 0.496 74 P HA 0.391 nan 4.420 nan 0.000 0.274 74 P C -0.766 176.515 177.300 -0.031 0.000 1.246 74 P CA -0.023 62.989 63.100 -0.147 0.000 0.795 74 P CB 0.814 32.385 31.700 -0.216 0.000 1.006 75 I N 0.460 121.024 120.570 -0.011 0.000 2.441 75 I HA 0.293 4.463 4.170 0.000 0.000 0.295 75 I C -0.255 175.839 176.117 -0.038 0.000 0.994 75 I CA -1.092 60.206 61.300 -0.004 0.000 1.144 75 I CB 2.112 40.084 38.000 -0.047 0.000 1.314 75 I HN -0.030 nan 8.210 nan 0.000 0.445 76 V N 6.698 126.550 119.914 -0.102 0.000 2.378 76 V HA 0.380 4.500 4.120 0.000 0.000 0.288 76 V C -0.451 175.489 176.094 -0.257 0.000 1.016 76 V CA -0.592 61.552 62.300 -0.260 0.000 0.840 76 V CB 1.639 33.059 31.823 -0.671 0.000 0.994 76 V HN 0.399 nan 8.190 nan 0.000 0.431 77 L N 5.143 126.233 121.223 -0.221 0.000 2.334 77 L HA 0.873 5.213 4.340 0.000 0.000 0.276 77 L C -0.075 176.630 176.870 -0.274 0.000 1.014 77 L CA 0.618 55.319 54.840 -0.231 0.000 0.815 77 L CB 2.301 44.273 42.059 -0.145 0.000 1.268 77 L HN 0.663 nan 8.230 nan 0.000 0.428 78 T N 4.606 118.917 114.554 -0.404 0.000 2.921 78 T HA 0.555 4.905 4.350 0.000 0.000 0.297 78 T C -0.806 173.792 174.700 -0.170 0.000 1.013 78 T CA -0.617 61.266 62.100 -0.362 0.000 0.990 78 T CB 1.257 69.685 68.868 -0.734 0.000 1.023 78 T HN 0.546 nan 8.240 nan 0.000 0.447 79 R N 1.667 122.169 120.500 0.002 0.000 2.295 79 R HA 0.736 5.076 4.340 0.000 0.000 0.324 79 R C -0.404 176.004 176.300 0.179 0.000 0.968 79 R CA -0.785 55.377 56.100 0.104 0.000 0.837 79 R CB 1.767 32.145 30.300 0.130 0.000 1.133 79 R HN 0.515 nan 8.270 nan 0.000 0.450 80 T N 2.221 116.883 114.554 0.181 0.000 2.909 80 T HA 0.422 4.772 4.350 0.000 0.000 0.299 80 T C -2.363 172.304 174.700 -0.056 0.000 1.073 80 T CA -2.018 60.152 62.100 0.116 0.000 0.999 80 T CB 1.886 70.910 68.868 0.262 0.000 1.098 80 T HN 0.360 nan 8.240 nan 0.000 0.477 81 P HA 0.251 nan 4.420 nan 0.000 0.266 81 P C -0.500 176.565 177.300 -0.392 0.000 1.381 81 P CA -0.062 62.728 63.100 -0.516 0.000 0.940 81 P CB -0.112 30.966 31.700 -1.036 0.000 1.435 82 Y N 0.174 120.478 120.300 0.007 0.000 2.774 82 Y HA 0.373 4.923 4.550 0.000 0.000 0.305 82 Y C 0.199 175.896 175.900 -0.338 0.000 1.067 82 Y CA -1.445 56.625 58.100 -0.051 0.000 1.304 82 Y CB -0.643 37.829 38.460 0.021 0.000 1.209 82 Y HN -0.062 nan 8.280 nan 0.000 0.543 83 D N 0.215 120.289 120.400 -0.545 0.000 4.520 83 D HA -0.161 4.479 4.640 0.000 0.000 0.245 83 D C 0.956 177.076 176.300 -0.299 0.000 1.068 83 D CA 0.542 54.050 54.000 -0.820 0.000 1.211 83 D CB -0.345 39.765 40.800 -1.150 0.000 0.818 83 D HN 0.439 nan 8.370 nan 0.000 0.392 84 A N 2.639 125.393 122.820 -0.110 0.000 1.940 84 A HA -0.158 4.162 4.320 0.000 0.000 0.219 84 A C 2.377 179.892 177.584 -0.114 0.000 1.176 84 A CA 2.196 54.208 52.037 -0.042 0.000 0.631 84 A CB -0.221 18.805 19.000 0.042 0.000 0.814 84 A HN 0.542 nan 8.150 nan 0.000 0.446 85 S N -0.616 115.063 115.700 -0.035 0.000 2.368 85 S HA -0.042 4.428 4.470 0.000 0.000 0.224 85 S C 2.049 176.587 174.600 -0.103 0.000 1.029 85 S CA 1.107 59.299 58.200 -0.013 0.000 0.988 85 S CB -0.558 62.692 63.200 0.083 0.000 0.838 85 S HN 0.773 nan 8.310 nan 0.000 0.462 86 G N 1.691 110.397 108.800 -0.157 0.000 2.408 86 G HA2 -0.143 3.818 3.960 0.000 0.000 0.217 86 G HA3 -0.143 3.818 3.960 0.000 0.000 0.217 86 G C 1.462 176.235 174.900 -0.213 0.000 1.150 86 G CA 0.165 45.169 45.100 -0.161 0.000 0.776 86 G HN 0.280 nan 8.290 nan 0.000 0.542 87 R N 0.564 120.865 120.500 -0.331 0.000 2.189 87 R HA -0.032 4.308 4.340 0.000 0.000 0.218 87 R C 2.051 177.983 176.300 -0.614 0.000 1.074 87 R CA 1.456 57.227 56.100 -0.548 0.000 0.991 87 R CB -0.688 29.049 30.300 -0.938 0.000 0.883 87 R HN 0.515 nan 8.270 nan 0.000 0.457 88 T N -2.483 111.817 114.554 -0.423 0.000 3.223 88 T HA 0.226 4.577 4.350 0.000 0.000 0.259 88 T C 0.353 174.952 174.700 -0.168 0.000 1.015 88 T CA -0.314 61.628 62.100 -0.263 0.000 0.908 88 T CB 0.168 68.946 68.868 -0.150 0.000 1.054 88 T HN 0.089 nan 8.240 nan 0.000 0.567 89 E N 0.852 120.962 120.200 -0.150 0.000 3.544 89 E HA 0.214 4.564 4.350 0.000 0.000 0.264 89 E C 1.282 177.840 176.600 -0.070 0.000 1.225 89 E CA -0.395 55.950 56.400 -0.091 0.000 1.045 89 E CB 0.387 30.055 29.700 -0.054 0.000 1.338 89 E HN 0.092 nan 8.360 nan 0.000 0.395 90 R N 1.411 121.870 120.500 -0.069 0.000 2.081 90 R HA -0.018 4.322 4.340 0.000 0.000 0.235 90 R C 0.097 176.391 176.300 -0.010 0.000 1.131 90 R CA 1.095 57.174 56.100 -0.034 0.000 0.960 90 R CB 0.122 30.406 30.300 -0.027 0.000 0.856 90 R HN 0.368 nan 8.270 nan 0.000 0.436 91 L N -0.297 120.921 121.223 -0.008 0.000 2.464 91 L HA 0.450 4.790 4.340 0.000 0.000 0.266 91 L C -1.421 175.458 176.870 0.016 0.000 0.965 91 L CA -0.478 54.370 54.840 0.012 0.000 0.833 91 L CB 1.921 43.998 42.059 0.030 0.000 1.296 91 L HN 0.097 nan 8.230 nan 0.000 0.405 92 A N 3.382 126.218 122.820 0.026 0.000 2.489 92 A HA 0.578 4.898 4.320 0.000 0.000 0.289 92 A C 0.040 177.654 177.584 0.049 0.000 1.216 92 A CA 0.670 52.733 52.037 0.043 0.000 0.883 92 A CB -0.425 18.603 19.000 0.047 0.000 1.110 92 A HN 0.822 nan 8.150 nan 0.000 0.523 93 S N 3.095 118.834 115.700 0.066 0.000 2.550 93 S HA 0.700 5.170 4.470 0.000 0.000 0.270 93 S C -2.467 172.179 174.600 0.078 0.000 1.145 93 S CA -0.838 57.383 58.200 0.034 0.000 0.852 93 S CB 1.732 64.963 63.200 0.052 0.000 1.119 93 S HN 0.326 nan 8.310 nan 0.000 0.465 94 P HA 0.106 nan 4.420 nan 0.000 0.233 94 P C -0.012 177.277 177.300 -0.020 0.000 1.167 94 P CA 0.677 63.697 63.100 -0.133 0.000 0.770 94 P CB -0.172 31.340 31.700 -0.313 0.000 0.837 98 D N 1.563 122.012 120.400 0.082 0.000 2.271 98 D HA 0.007 4.647 4.640 0.000 0.000 0.206 98 D C 1.851 178.165 176.300 0.023 0.000 0.967 98 D CA 0.666 54.709 54.000 0.070 0.000 0.867 98 D CB 0.334 41.219 40.800 0.141 0.000 0.960 98 D HN 0.123 nan 8.370 nan 0.000 0.509 99 L N 0.873 122.086 121.223 -0.017 0.000 2.046 99 L HA -0.022 4.318 4.340 0.000 0.000 0.208 99 L C 0.831 177.637 176.870 -0.106 0.000 1.077 99 L CA 1.262 56.040 54.840 -0.103 0.000 0.747 99 L CB -0.201 41.671 42.059 -0.313 0.000 0.896 99 L HN -0.126 nan 8.230 nan 0.000 0.432 100 L N -0.492 120.677 121.223 -0.090 0.000 2.454 100 L HA 0.279 4.620 4.340 0.000 0.000 0.256 100 L C 0.947 177.793 176.870 -0.041 0.000 1.136 100 L CA -0.360 54.444 54.840 -0.061 0.000 0.804 100 L CB 0.821 42.875 42.059 -0.009 0.000 1.181 100 L HN 0.236 nan 8.230 nan 0.000 0.469 101 S N 0.276 115.950 115.700 -0.044 0.000 2.580 101 S HA 0.137 4.607 4.470 0.000 0.000 0.266 101 S C 1.062 175.613 174.600 -0.082 0.000 1.354 101 S CA -0.074 58.088 58.200 -0.064 0.000 1.008 101 S CB 1.168 64.317 63.200 -0.085 0.000 0.898 101 S HN 0.696 nan 8.310 nan 0.000 0.555 102 A N 1.878 124.621 122.820 -0.128 0.000 1.940 102 A HA 0.113 4.433 4.320 0.000 0.000 0.219 102 A C 2.178 179.652 177.584 -0.184 0.000 1.176 102 A CA 1.628 53.584 52.037 -0.135 0.000 0.631 102 A CB -1.735 17.187 19.000 -0.129 0.000 0.814 102 A HN 1.216 nan 8.150 nan 0.000 0.446 103 G N -1.088 107.557 108.800 -0.259 0.000 2.598 103 G HA2 -0.074 3.886 3.960 0.000 0.000 0.215 103 G HA3 -0.074 3.886 3.960 0.000 0.000 0.215 103 G C 0.778 175.556 174.900 -0.204 0.000 1.131 103 G CA 0.909 45.860 45.100 -0.248 0.000 0.785 103 G HN 0.447 nan 8.290 nan 0.000 0.539 104 D N 0.940 121.281 120.400 -0.098 0.000 2.339 104 D HA -0.000 4.640 4.640 0.000 0.000 0.217 104 D C 1.897 178.140 176.300 -0.094 0.000 1.050 104 D CA 0.437 54.435 54.000 -0.003 0.000 0.856 104 D CB 0.134 41.032 40.800 0.163 0.000 0.922 104 D HN 0.408 nan 8.370 nan 0.000 0.518 105 D N 0.889 121.202 120.400 -0.144 0.000 2.133 105 D HA -0.196 4.444 4.640 0.000 0.000 0.195 105 D C 2.067 178.285 176.300 -0.137 0.000 0.997 105 D CA 1.536 55.471 54.000 -0.109 0.000 0.840 105 D CB -0.880 39.861 40.800 -0.099 0.000 0.947 105 D HN 0.277 nan 8.370 nan 0.000 0.452 106 V N -2.485 117.244 119.914 -0.310 0.000 2.667 106 V HA -0.088 4.032 4.120 0.000 0.000 0.252 106 V C 2.304 178.248 176.094 -0.251 0.000 1.065 106 V CA 0.995 63.098 62.300 -0.328 0.000 1.083 106 V CB -1.136 30.381 31.823 -0.510 0.000 0.692 106 V HN -0.061 nan 8.190 nan 0.000 0.468 107 F N 0.730 120.608 119.950 -0.121 0.000 2.234 107 F HA 0.110 4.637 4.527 0.000 0.000 0.296 107 F C 2.437 178.307 175.800 0.116 0.000 1.089 107 F CA 0.873 58.808 58.000 -0.108 0.000 1.343 107 F CB -1.130 37.743 39.000 -0.212 0.000 1.040 107 F HN 0.009 nan 8.300 nan 0.000 0.498 108 V N 0.002 120.042 119.914 0.210 0.000 2.358 108 V HA -0.240 3.880 4.120 0.000 0.000 0.246 108 V C 2.112 178.296 176.094 0.150 0.000 1.047 108 V CA 1.829 64.229 62.300 0.167 0.000 1.035 108 V CB -0.623 31.260 31.823 0.100 0.000 0.658 108 V HN 0.273 nan 8.190 nan 0.000 0.452 109 E N 0.364 120.631 120.200 0.111 0.000 2.153 109 E HA -0.121 4.229 4.350 0.000 0.000 0.194 109 E C 2.143 178.824 176.600 0.135 0.000 0.988 109 E CA 1.120 57.577 56.400 0.096 0.000 0.811 109 E CB -0.339 29.399 29.700 0.063 0.000 0.746 109 E HN 0.632 nan 8.360 nan 0.000 0.466 110 G N -0.408 108.532 108.800 0.233 0.000 2.985 110 G HA2 0.154 4.114 3.960 0.000 0.000 0.209 110 G HA3 0.154 4.114 3.960 0.000 0.000 0.209 110 G C 0.977 175.993 174.900 0.192 0.000 1.165 110 G CA 0.146 45.422 45.100 0.293 0.000 0.776 110 G HN 0.366 nan 8.290 nan 0.000 0.541 111 G N -0.981 107.935 108.800 0.194 0.000 2.176 111 G HA2 -0.305 3.656 3.960 0.000 0.000 0.252 111 G HA3 -0.305 3.656 3.960 0.000 0.000 0.252 111 G C 0.077 175.014 174.900 0.062 0.000 1.024 111 G CA 0.027 45.184 45.100 0.094 0.000 0.755 111 G HN 0.403 nan 8.290 nan 0.000 0.507 112 Y N -0.779 119.576 120.300 0.092 0.000 2.301 112 Y HA 0.574 5.124 4.550 0.000 0.000 0.328 112 Y C 1.449 177.373 175.900 0.040 0.000 1.242 112 Y CA -0.619 57.517 58.100 0.060 0.000 1.323 112 Y CB 0.692 39.197 38.460 0.075 0.000 1.266 112 Y HN 0.161 nan 8.280 nan 0.000 0.527 113 I N 3.229 123.894 120.570 0.158 0.000 2.325 113 I HA 0.251 4.421 4.170 0.000 0.000 0.291 113 I C -0.161 176.004 176.117 0.080 0.000 1.019 113 I CA -0.510 60.849 61.300 0.099 0.000 1.302 113 I CB 0.866 38.896 38.000 0.050 0.000 1.401 113 I HN 0.382 nan 8.210 nan 0.000 0.485 114 R N 5.552 126.098 120.500 0.076 0.000 2.294 114 R HA 0.635 4.975 4.340 0.000 0.000 0.319 114 R C -1.518 174.813 176.300 0.051 0.000 0.984 114 R CA -0.417 55.707 56.100 0.040 0.000 0.861 114 R CB 1.225 31.592 30.300 0.112 0.000 1.104 114 R HN 0.400 nan 8.270 nan 0.000 0.451 115 V N 5.534 125.427 119.914 -0.036 0.000 2.531 115 V HA 0.533 4.653 4.120 0.000 0.000 0.301 115 V C -0.965 175.053 176.094 -0.126 0.000 1.034 115 V CA -0.661 61.628 62.300 -0.017 0.000 0.865 115 V CB 1.553 33.353 31.823 -0.038 0.000 0.995 115 V HN 0.594 nan 8.190 nan 0.000 0.424 116 F N 2.761 122.686 119.950 -0.041 0.000 2.520 116 F HA 0.630 5.157 4.527 0.000 0.000 0.322 116 F C 0.103 175.864 175.800 -0.064 0.000 1.103 116 F CA -0.293 57.687 58.000 -0.033 0.000 0.926 116 F CB 2.064 41.046 39.000 -0.029 0.000 1.154 116 F HN 0.436 nan 8.300 nan 0.000 0.453 117 Q N 2.819 122.688 119.800 0.116 0.000 2.356 117 Q HA 0.287 4.627 4.340 0.000 0.000 0.270 117 Q C -1.622 174.443 176.000 0.109 0.000 1.058 117 Q CA -0.980 54.855 55.803 0.053 0.000 0.802 117 Q CB 1.731 30.481 28.738 0.021 0.000 1.303 117 Q HN 0.492 nan 8.270 nan 0.000 0.444 118 D N 3.009 123.474 120.400 0.108 0.000 2.371 118 D HA 0.102 4.743 4.640 0.000 0.000 0.256 118 D C 0.326 176.725 176.300 0.164 0.000 1.193 118 D CA 0.118 54.213 54.000 0.159 0.000 0.881 118 D CB 1.058 41.995 40.800 0.229 0.000 1.143 118 D HN 0.454 nan 8.370 nan 0.000 0.473 119 V N 1.412 121.440 119.914 0.191 0.000 3.237 119 V HA 0.134 4.254 4.120 0.000 0.000 0.305 119 V C 0.917 177.155 176.094 0.240 0.000 1.096 119 V CA -0.841 61.623 62.300 0.272 0.000 1.130 119 V CB 0.494 32.584 31.823 0.444 0.000 1.048 119 V HN 0.530 nan 8.190 nan 0.000 0.484 120 R N 1.981 122.614 120.500 0.223 0.000 2.494 120 R HA 0.282 4.622 4.340 0.000 0.000 0.291 120 R C 1.274 177.720 176.300 0.242 0.000 0.953 120 R CA 1.207 57.407 56.100 0.167 0.000 1.098 120 R CB -0.548 29.803 30.300 0.085 0.000 0.911 120 R HN 1.892 nan 8.270 nan 0.000 0.407 121 G N 2.963 111.866 108.800 0.171 0.000 2.159 121 G HA2 -0.221 3.740 3.960 0.000 0.000 0.256 121 G HA3 -0.221 3.740 3.960 0.000 0.000 0.256 121 G C -0.430 174.498 174.900 0.047 0.000 0.977 121 G CA 0.210 45.411 45.100 0.168 0.000 0.652 121 G HN 0.516 nan 8.290 nan 0.000 0.531 122 K N -0.749 119.666 120.400 0.025 0.000 2.316 122 K HA 0.657 4.977 4.320 0.000 0.000 0.251 122 K C 0.856 177.496 176.600 0.067 0.000 0.934 122 K CA -0.870 55.364 56.287 -0.089 0.000 0.802 122 K CB 1.537 33.976 32.500 -0.102 0.000 1.171 122 K HN 0.158 nan 8.250 nan 0.000 0.426 123 Y N 0.277 120.534 120.300 -0.071 0.000 2.815 123 Y HA -0.451 4.099 4.550 0.000 0.000 0.471 123 Y C 1.823 177.696 175.900 -0.046 0.000 1.140 123 Y CA 2.186 60.261 58.100 -0.042 0.000 2.728 123 Y CB -1.475 36.981 38.460 -0.007 0.000 1.169 123 Y HN 0.805 nan 8.280 nan 0.000 0.620 124 G N -0.116 108.769 108.800 0.141 0.000 2.744 124 G HA2 0.168 4.128 3.960 0.000 0.000 0.211 124 G HA3 0.168 4.128 3.960 0.000 0.000 0.211 124 G C 0.304 175.223 174.900 0.031 0.000 1.143 124 G CA 0.760 45.815 45.100 -0.076 0.000 0.788 124 G HN 0.302 nan 8.290 nan 0.000 0.534 125 S N 0.299 116.068 115.700 0.115 0.000 2.601 125 S HA 0.333 4.803 4.470 0.000 0.000 0.271 125 S C 0.255 174.890 174.600 0.058 0.000 1.305 125 S CA -0.462 57.800 58.200 0.103 0.000 1.022 125 S CB 1.525 64.801 63.200 0.126 0.000 0.940 125 S HN 0.456 nan 8.310 nan 0.000 0.525 126 E N 0.257 120.486 120.200 0.049 0.000 2.602 126 E HA 0.615 4.965 4.350 0.000 0.000 0.255 126 E C 0.520 177.149 176.600 0.048 0.000 1.268 126 E CA -0.390 56.031 56.400 0.036 0.000 1.007 126 E CB 0.531 30.246 29.700 0.026 0.000 1.208 126 E HN 0.841 nan 8.360 nan 0.000 0.584 127 G N 0.612 109.437 108.800 0.042 0.000 2.712 127 G HA2 -0.144 3.817 3.960 0.000 0.000 0.683 127 G HA3 -0.144 3.817 3.960 0.000 0.000 0.683 127 G C -1.353 173.586 174.900 0.066 0.000 1.320 127 G CA -0.755 44.374 45.100 0.049 0.000 0.847 127 G HN 0.460 nan 8.290 nan 0.000 0.553 128 D N -0.524 119.916 120.400 0.067 0.000 2.193 128 D HA 0.500 5.140 4.640 0.000 0.000 0.249 128 D C -0.388 175.994 176.300 0.136 0.000 1.034 128 D CA 0.051 54.104 54.000 0.087 0.000 0.902 128 D CB 1.483 42.317 40.800 0.057 0.000 1.182 128 D HN 0.450 nan 8.370 nan 0.000 0.436 129 Y N 1.696 122.015 120.300 0.032 0.000 2.328 129 Y HA 0.404 4.954 4.550 0.000 0.000 0.337 129 Y C -0.711 175.229 175.900 0.068 0.000 1.008 129 Y CA -0.254 57.875 58.100 0.049 0.000 1.129 129 Y CB 0.621 39.096 38.460 0.025 0.000 1.185 129 Y HN 0.078 nan 8.280 nan 0.000 0.476 133 R N 2.163 122.856 120.500 0.322 0.000 2.730 133 R HA 0.071 4.411 4.340 0.000 0.000 0.327 133 R C -2.281 174.201 176.300 0.304 0.000 0.825 133 R CA -0.353 55.882 56.100 0.224 0.000 1.130 133 R CB -0.021 30.313 30.300 0.057 0.000 0.883 133 R HN 0.265 nan 8.270 nan 0.000 0.407 134 P HA -0.017 nan 4.420 nan 0.000 0.272 134 P C -0.208 177.152 177.300 0.101 0.000 1.230 134 P CA -0.209 62.969 63.100 0.130 0.000 0.788 134 P CB 0.522 32.234 31.700 0.020 0.000 0.949 135 L N 1.628 122.903 121.223 0.086 0.000 2.482 135 L HA 0.094 4.434 4.340 0.000 0.000 0.273 135 L C 1.351 178.237 176.870 0.027 0.000 1.228 135 L CA -0.028 54.845 54.840 0.055 0.000 0.827 135 L CB 0.030 42.117 42.059 0.047 0.000 1.099 135 L HN 0.293 nan 8.230 nan 0.000 0.494 136 R N 1.185 121.694 120.500 0.015 0.000 2.502 136 R HA 0.333 4.673 4.340 0.000 0.000 0.292 136 R C 0.317 176.616 176.300 -0.001 0.000 0.998 136 R CA 0.796 56.897 56.100 0.002 0.000 1.056 136 R CB 0.133 30.429 30.300 -0.007 0.000 0.939 136 R HN 0.872 nan 8.270 nan 0.000 0.411 137 G N 2.985 111.782 108.800 -0.005 0.000 2.404 137 G HA2 -0.019 3.941 3.960 0.000 0.000 0.253 137 G HA3 -0.019 3.941 3.960 0.000 0.000 0.253 137 G C -2.359 172.533 174.900 -0.014 0.000 1.253 137 G CA -0.884 44.210 45.100 -0.009 0.000 0.917 137 G HN 0.340 nan 8.290 nan 0.000 0.480 138 P HA 0.039 nan 4.420 nan 0.000 0.216 138 P C 1.774 179.061 177.300 -0.022 0.000 1.150 138 P CA 1.099 64.184 63.100 -0.023 0.000 0.843 138 P CB 0.036 31.715 31.700 -0.035 0.000 0.787 139 L N -2.793 118.411 121.223 -0.031 0.000 2.567 139 L HA 0.151 4.491 4.340 0.000 0.000 0.225 139 L C 0.721 177.591 176.870 -0.000 0.000 1.119 139 L CA 0.248 55.075 54.840 -0.021 0.000 0.871 139 L CB -0.324 41.693 42.059 -0.071 0.000 1.036 139 L HN -0.028 nan 8.230 nan 0.000 0.459 140 N N 0.284 118.983 118.700 -0.003 0.000 2.640 140 N HA 0.191 4.932 4.740 0.000 0.000 0.262 140 N C -2.224 173.285 175.510 -0.002 0.000 1.174 140 N CA -1.491 51.560 53.050 0.003 0.000 0.791 140 N CB 1.571 40.062 38.487 0.007 0.000 1.279 140 N HN -0.230 nan 8.380 nan 0.000 0.535 141 P HA 0.038 nan 4.420 nan 0.000 0.249 141 P C 0.384 177.681 177.300 -0.006 0.000 1.229 141 P CA 0.213 63.310 63.100 -0.004 0.000 0.788 141 P CB 0.132 31.830 31.700 -0.003 0.000 1.072 142 S N 0.165 115.862 115.700 -0.005 0.000 2.626 142 S HA 0.113 4.584 4.470 0.000 0.000 0.257 142 S C 1.064 175.658 174.600 -0.011 0.000 1.288 142 S CA -0.247 57.950 58.200 -0.007 0.000 0.980 142 S CB 0.593 63.789 63.200 -0.006 0.000 0.975 142 S HN -0.100 nan 8.310 nan 0.000 0.577 143 E N -0.265 119.927 120.200 -0.012 0.000 2.479 143 E HA 0.176 4.526 4.350 0.000 0.000 0.193 143 E C 0.349 176.937 176.600 -0.020 0.000 1.049 143 E CA 0.179 56.568 56.400 -0.018 0.000 0.870 143 E CB 0.352 30.042 29.700 -0.017 0.000 0.944 143 E HN 0.585 nan 8.360 nan 0.000 0.492 144 V N -0.642 119.263 119.914 -0.016 0.000 2.876 144 V HA 0.691 4.811 4.120 0.000 0.000 0.312 144 V C -0.956 175.121 176.094 -0.028 0.000 1.085 144 V CA -1.008 61.282 62.300 -0.018 0.000 0.945 144 V CB 2.375 34.191 31.823 -0.013 0.000 1.017 144 V HN -0.035 nan 8.190 nan 0.000 0.428 145 D N 0.085 120.467 120.400 -0.030 0.000 2.921 145 D HA 0.350 4.990 4.640 0.000 0.000 0.329 145 D C 0.580 176.845 176.300 -0.058 0.000 1.293 145 D CA -0.448 53.521 54.000 -0.053 0.000 0.964 145 D CB 0.415 41.221 40.800 0.011 0.000 1.435 145 D HN 0.411 nan 8.370 nan 0.000 0.548 146 H N -0.745 118.370 119.070 0.076 0.000 2.491 146 H HA 0.152 4.708 4.556 0.000 0.000 0.290 146 H C 1.682 177.043 175.328 0.054 0.000 1.050 146 H CA 1.512 57.603 56.048 0.072 0.000 1.309 146 H CB 0.031 29.816 29.762 0.038 0.000 1.392 146 H HN 0.532 nan 8.280 nan 0.000 0.554 147 A N 0.781 123.689 122.820 0.147 0.000 1.872 147 A HA -0.152 4.168 4.320 0.000 0.000 0.214 147 A C 2.710 180.397 177.584 0.172 0.000 1.187 147 A CA 2.151 54.269 52.037 0.136 0.000 0.614 147 A CB -0.853 18.205 19.000 0.097 0.000 0.826 147 A HN 0.534 nan 8.150 nan 0.000 0.442 148 T N -2.473 112.149 114.554 0.113 0.000 2.821 148 T HA -0.124 4.226 4.350 0.000 0.000 0.267 148 T C 1.331 176.131 174.700 0.166 0.000 1.046 148 T CA 1.594 63.760 62.100 0.109 0.000 1.139 148 T CB -0.445 68.433 68.868 0.018 0.000 0.871 148 T HN 0.289 nan 8.240 nan 0.000 0.454 149 D N 1.840 122.317 120.400 0.129 0.000 2.144 149 D HA 0.127 4.768 4.640 0.000 0.000 0.200 149 D C 2.394 178.789 176.300 0.159 0.000 0.978 149 D CA 1.314 55.390 54.000 0.127 0.000 0.833 149 D CB -0.543 40.317 40.800 0.100 0.000 0.961 149 D HN 0.587 nan 8.370 nan 0.000 0.470 150 A N 0.387 123.316 122.820 0.181 0.000 1.929 150 A HA -0.130 4.190 4.320 0.000 0.000 0.216 150 A C 2.082 179.770 177.584 0.174 0.000 1.176 150 A CA 0.744 52.870 52.037 0.149 0.000 0.628 150 A CB -0.922 18.157 19.000 0.131 0.000 0.816 150 A HN 0.382 nan 8.150 nan 0.000 0.444 151 W N 1.538 122.883 121.300 0.075 0.000 2.378 151 W HA -0.144 4.516 4.660 0.000 0.000 0.313 151 W C 0.889 177.478 176.519 0.116 0.000 1.197 151 W CA 2.041 59.464 57.345 0.130 0.000 1.304 151 W CB -0.471 29.074 29.460 0.141 0.000 1.148 151 W HN 0.409 nan 8.180 nan 0.000 0.494 152 D N -0.261 120.412 120.400 0.455 0.000 2.178 152 D HA -0.144 4.497 4.640 0.000 0.000 0.201 152 D C 2.136 178.550 176.300 0.191 0.000 0.980 152 D CA 2.042 56.240 54.000 0.331 0.000 0.842 152 D CB -0.676 40.265 40.800 0.234 0.000 0.948 152 D HN 0.106 nan 8.370 nan 0.000 0.472 153 T N 0.891 115.516 114.554 0.119 0.000 2.737 153 T HA -0.021 4.329 4.350 0.000 0.000 0.265 153 T C 2.224 176.941 174.700 0.028 0.000 1.038 153 T CA 0.464 62.603 62.100 0.065 0.000 1.144 153 T CB -0.124 68.764 68.868 0.034 0.000 0.866 153 T HN 0.135 nan 8.240 nan 0.000 0.434 154 I N 1.007 121.505 120.570 -0.120 0.000 2.315 154 I HA -0.155 4.015 4.170 0.000 0.000 0.248 154 I C 2.404 178.239 176.117 -0.469 0.000 1.117 154 I CA 1.266 62.372 61.300 -0.322 0.000 1.404 154 I CB -0.313 37.389 38.000 -0.496 0.000 1.071 154 I HN 0.219 nan 8.210 nan 0.000 0.419 155 D N 0.058 120.164 120.400 -0.490 0.000 2.097 155 D HA -0.270 4.370 4.640 0.000 0.000 0.195 155 D C 1.964 178.249 176.300 -0.025 0.000 0.989 155 D CA 1.361 55.210 54.000 -0.251 0.000 0.827 155 D CB -0.155 40.709 40.800 0.107 0.000 0.966 155 D HN 0.357 nan 8.370 nan 0.000 0.456 156 W N 0.604 121.853 121.300 -0.085 0.000 2.358 156 W HA -0.083 4.577 4.660 0.000 0.000 0.303 156 W C 1.933 178.413 176.519 -0.064 0.000 1.208 156 W CA 1.115 58.436 57.345 -0.041 0.000 1.274 156 W CB -0.253 29.200 29.460 -0.012 0.000 1.138 156 W HN 0.006 nan 8.180 nan 0.000 0.515 157 L N 0.216 121.596 121.223 0.263 0.000 2.012 157 L HA -0.250 4.090 4.340 0.000 0.000 0.210 157 L C 2.523 179.334 176.870 -0.097 0.000 1.073 157 L CA 1.746 56.669 54.840 0.139 0.000 0.748 157 L CB -1.425 40.692 42.059 0.097 0.000 0.891 157 L HN 0.079 nan 8.230 nan 0.000 0.431 158 V N -3.179 116.653 119.914 -0.137 0.000 2.626 158 V HA -0.179 3.941 4.120 0.000 0.000 0.252 158 V C 2.009 178.001 176.094 -0.171 0.000 1.067 158 V CA 1.420 63.633 62.300 -0.145 0.000 1.081 158 V CB -0.625 31.117 31.823 -0.136 0.000 0.686 158 V HN 0.394 nan 8.190 nan 0.000 0.468 159 K N 0.429 120.689 120.400 -0.234 0.000 2.379 159 K HA 0.190 4.510 4.320 0.000 0.000 0.194 159 K C 1.022 177.380 176.600 -0.403 0.000 1.031 159 K CA 1.021 57.148 56.287 -0.268 0.000 1.037 159 K CB 0.038 32.393 32.500 -0.242 0.000 0.824 159 K HN 0.568 nan 8.250 nan 0.000 0.516 160 N N -0.561 117.786 118.700 -0.588 0.000 2.166 160 N HA 0.039 4.779 4.740 0.000 0.000 0.213 160 N C -0.999 174.271 175.510 -0.399 0.000 1.222 160 N CA -0.037 52.582 53.050 -0.717 0.000 0.900 160 N CB 1.546 39.013 38.487 -1.700 0.000 1.055 160 N HN -0.202 nan 8.380 nan 0.000 0.515 161 V N 2.074 121.839 119.914 -0.248 0.000 2.259 161 V HA 0.117 4.237 4.120 0.000 0.000 0.267 161 V C 1.137 177.176 176.094 -0.091 0.000 1.051 161 V CA -0.247 61.992 62.300 -0.101 0.000 0.830 161 V CB 0.641 32.445 31.823 -0.031 0.000 1.080 161 V HN 0.302 nan 8.190 nan 0.000 0.467 162 S N 2.634 118.285 115.700 -0.081 0.000 2.442 162 S HA -0.175 4.295 4.470 0.000 0.000 0.236 162 S C 1.283 175.853 174.600 -0.049 0.000 1.007 162 S CA 1.134 59.293 58.200 -0.067 0.000 0.965 162 S CB -0.135 63.031 63.200 -0.055 0.000 0.773 162 S HN 0.737 nan 8.310 nan 0.000 0.504 163 E N 1.950 122.129 120.200 -0.036 0.000 2.481 163 E HA 0.127 4.477 4.350 0.000 0.000 0.195 163 E C 0.919 177.496 176.600 -0.039 0.000 1.047 163 E CA 0.437 56.820 56.400 -0.028 0.000 0.867 163 E CB 0.212 29.907 29.700 -0.009 0.000 0.858 163 E HN 0.711 nan 8.360 nan 0.000 0.513 164 S N 0.727 116.398 115.700 -0.049 0.000 2.687 164 S HA 0.177 4.647 4.470 0.000 0.000 0.283 164 S C 0.738 175.296 174.600 -0.070 0.000 1.170 164 S CA -0.784 57.380 58.200 -0.060 0.000 1.008 164 S CB 1.040 64.204 63.200 -0.060 0.000 1.026 164 S HN 0.139 nan 8.310 nan 0.000 0.541 165 N N 0.362 119.015 118.700 -0.078 0.000 2.322 165 N HA 0.194 4.934 4.740 0.000 0.000 0.194 165 N C 1.188 176.652 175.510 -0.077 0.000 1.126 165 N CA 0.467 53.471 53.050 -0.077 0.000 0.845 165 N CB -0.418 38.018 38.487 -0.085 0.000 0.976 165 N HN 1.392 nan 8.380 nan 0.000 0.475 166 G N -0.125 108.625 108.800 -0.083 0.000 2.148 166 G HA2 -0.295 3.665 3.960 0.000 0.000 0.254 166 G HA3 -0.295 3.665 3.960 0.000 0.000 0.254 166 G C -0.430 174.415 174.900 -0.092 0.000 0.981 166 G CA 0.234 45.282 45.100 -0.086 0.000 0.670 166 G HN 0.482 nan 8.290 nan 0.000 0.528 167 K N 0.047 120.388 120.400 -0.098 0.000 2.206 167 K HA 0.658 4.978 4.320 0.000 0.000 0.264 167 K C -0.487 176.036 176.600 -0.128 0.000 0.967 167 K CA -0.748 55.474 56.287 -0.110 0.000 0.844 167 K CB 2.865 35.303 32.500 -0.104 0.000 1.099 167 K HN 0.047 nan 8.250 nan 0.000 0.441 168 V N 1.611 121.430 119.914 -0.158 0.000 2.656 168 V HA 0.544 4.664 4.120 0.000 0.000 0.307 168 V C 0.285 176.223 176.094 -0.259 0.000 1.051 168 V CA -0.775 61.417 62.300 -0.180 0.000 0.893 168 V CB 1.932 33.651 31.823 -0.172 0.000 0.999 168 V HN 0.990 nan 8.190 nan 0.000 0.426 172 G N 2.193 111.041 108.800 0.081 0.000 2.368 172 G HA2 0.409 4.369 3.960 0.000 0.000 0.303 172 G HA3 0.409 4.369 3.960 0.000 0.000 0.303 172 G C -2.084 172.901 174.900 0.142 0.000 1.590 172 G CA -0.016 45.155 45.100 0.118 0.000 0.938 172 G HN 0.625 nan 8.290 nan 0.000 0.675 173 S N 0.073 115.870 115.700 0.163 0.000 2.501 173 S HA 0.834 5.304 4.470 0.000 0.000 0.301 173 S C 0.951 175.695 174.600 0.238 0.000 1.096 173 S CA 1.227 59.505 58.200 0.130 0.000 1.063 173 S CB 1.374 64.581 63.200 0.011 0.000 1.042 173 S HN 2.379 nan 8.310 nan 0.000 0.494 174 S N 2.466 118.323 115.700 0.261 0.000 4.118 174 S HA -0.309 4.161 4.470 0.000 0.000 0.624 174 S C 0.815 175.672 174.600 0.428 0.000 1.929 174 S CA 1.359 59.809 58.200 0.416 0.000 4.219 174 S CB -1.862 61.681 63.200 0.573 0.000 0.206 174 S HN 1.032 nan 8.310 nan 0.000 0.525 175 Y N 2.675 123.209 120.300 0.389 0.000 2.224 175 Y HA 0.009 4.559 4.550 0.000 0.000 0.289 175 Y C 2.439 178.546 175.900 0.344 0.000 1.146 175 Y CA 2.524 60.823 58.100 0.332 0.000 1.182 175 Y CB -0.351 38.279 38.460 0.282 0.000 0.983 175 Y HN 0.592 nan 8.280 nan 0.000 0.524 176 E N -1.395 119.134 120.200 0.549 0.000 2.268 176 E HA -0.108 4.242 4.350 0.000 0.000 0.195 176 E C 2.269 179.032 176.600 0.272 0.000 0.995 176 E CA 0.700 57.329 56.400 0.381 0.000 0.836 176 E CB -0.261 29.651 29.700 0.355 0.000 0.763 176 E HN 0.585 nan 8.360 nan 0.000 0.491 177 G N 0.749 109.722 108.800 0.287 0.000 2.453 177 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 177 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 177 G C 1.302 176.339 174.900 0.228 0.000 1.147 177 G CA -0.074 45.160 45.100 0.223 0.000 0.802 177 G HN 0.281 nan 8.290 nan 0.000 0.535 178 F N 3.104 123.120 119.950 0.109 0.000 2.171 178 F HA -0.146 4.381 4.527 0.000 0.000 0.300 178 F C 2.795 178.595 175.800 0.001 0.000 1.090 178 F CA 2.268 60.288 58.000 0.033 0.000 1.293 178 F CB -0.412 38.511 39.000 -0.128 0.000 1.013 178 F HN 0.172 nan 8.300 nan 0.000 0.486 179 T N -2.090 112.437 114.554 -0.046 0.000 2.915 179 T HA -0.096 4.254 4.350 0.000 0.000 0.269 179 T C 1.944 176.583 174.700 -0.102 0.000 1.071 179 T CA 1.236 63.234 62.100 -0.169 0.000 1.132 179 T CB -1.137 67.761 68.868 0.050 0.000 0.878 179 T HN 0.187 nan 8.240 nan 0.000 0.479 180 V N 1.423 121.320 119.914 -0.029 0.000 2.358 180 V HA -0.025 4.095 4.120 0.000 0.000 0.246 180 V C 1.996 178.062 176.094 -0.047 0.000 1.047 180 V CA 0.648 62.932 62.300 -0.026 0.000 1.035 180 V CB -0.672 31.146 31.823 -0.009 0.000 0.658 180 V HN 0.387 nan 8.190 nan 0.000 0.452 184 L N 1.790 123.041 121.223 0.047 0.000 2.362 184 L HA -0.084 4.256 4.340 0.000 0.000 0.219 184 L C 2.783 179.710 176.870 0.095 0.000 1.134 184 L CA 1.849 56.728 54.840 0.064 0.000 0.807 184 L CB -0.481 41.617 42.059 0.064 0.000 0.927 184 L HN 0.727 nan 8.230 nan 0.000 0.447 185 T N -3.332 111.277 114.554 0.092 0.000 2.833 185 T HA -0.152 4.198 4.350 0.000 0.000 0.269 185 T C 0.997 175.755 174.700 0.096 0.000 1.054 185 T CA 1.128 63.282 62.100 0.091 0.000 1.135 185 T CB -0.138 68.774 68.868 0.072 0.000 0.869 185 T HN 0.223 nan 8.240 nan 0.000 0.466 186 N N 1.656 120.432 118.700 0.126 0.000 2.839 186 N HA 0.325 5.065 4.740 0.000 0.000 0.230 186 N C -3.304 172.393 175.510 0.311 0.000 1.388 186 N CA -1.527 51.627 53.050 0.173 0.000 0.747 186 N CB 1.504 40.056 38.487 0.109 0.000 1.411 186 N HN 0.152 nan 8.380 nan 0.000 0.556 187 P HA 0.160 nan 4.420 nan 0.000 0.282 187 P C -0.409 176.963 177.300 0.120 0.000 1.249 187 P CA -0.110 63.104 63.100 0.191 0.000 0.806 187 P CB 0.824 32.564 31.700 0.068 0.000 0.984 188 H N 4.034 122.926 119.070 -0.295 0.000 2.815 188 H HA 0.071 4.627 4.556 0.000 0.000 0.350 188 H C -1.442 173.586 175.328 -0.501 0.000 1.080 188 H CA -1.101 54.352 56.048 -0.992 0.000 1.433 188 H CB 0.682 29.847 29.762 -0.995 0.000 1.432 188 H HN 0.197 nan 8.280 nan 0.000 0.592 189 P HA -0.101 nan 4.420 nan 0.000 0.219 189 P C 0.870 178.119 177.300 -0.085 0.000 1.146 189 P CA 1.681 64.631 63.100 -0.251 0.000 0.808 189 P CB 0.050 31.579 31.700 -0.285 0.000 0.779 190 A N -1.056 121.826 122.820 0.104 0.000 2.119 190 A HA -0.021 4.299 4.320 0.000 0.000 0.216 190 A C 1.051 178.582 177.584 -0.090 0.000 1.152 190 A CA 0.186 52.227 52.037 0.006 0.000 0.708 190 A CB -1.087 17.892 19.000 -0.035 0.000 0.805 190 A HN 0.169 nan 8.150 nan 0.000 0.460 191 L N 0.746 121.911 121.223 -0.096 0.000 2.433 191 L HA 0.211 4.551 4.340 0.000 0.000 0.284 191 L C 0.647 177.414 176.870 -0.172 0.000 1.120 191 L CA 0.170 54.923 54.840 -0.145 0.000 0.879 191 L CB 0.256 42.246 42.059 -0.116 0.000 1.232 191 L HN 0.018 nan 8.230 nan 0.000 0.454 192 K N 3.897 124.163 120.400 -0.223 0.000 2.352 192 K HA 0.319 4.639 4.320 0.000 0.000 0.194 192 K C -0.231 176.099 176.600 -0.450 0.000 1.038 192 K CA 0.288 56.415 56.287 -0.266 0.000 1.023 192 K CB 0.492 32.885 32.500 -0.179 0.000 0.840 192 K HN 0.395 nan 8.250 nan 0.000 0.519 193 V N -0.573 119.070 119.914 -0.453 0.000 3.098 193 V HA 0.673 4.793 4.120 0.000 0.000 0.294 193 V C -2.122 173.782 176.094 -0.316 0.000 1.351 193 V CA -0.748 61.239 62.300 -0.523 0.000 0.999 193 V CB 2.143 33.493 31.823 -0.789 0.000 1.104 193 V HN 0.136 nan 8.190 nan 0.000 0.438 194 A N 4.246 127.012 122.820 -0.090 0.000 2.486 194 A HA 0.872 5.192 4.320 0.000 0.000 0.300 194 A C -1.569 176.102 177.584 0.145 0.000 1.048 194 A CA -0.426 51.621 52.037 0.018 0.000 0.696 194 A CB 2.298 21.247 19.000 -0.084 0.000 1.278 194 A HN 1.400 nan 8.150 nan 0.000 0.405 195 V N 3.512 123.529 119.914 0.172 0.000 2.380 195 V HA 0.327 4.448 4.120 0.000 0.000 0.268 195 V C -2.709 173.411 176.094 0.043 0.000 1.008 195 V CA -1.285 61.098 62.300 0.138 0.000 0.823 195 V CB 1.291 33.264 31.823 0.250 0.000 1.053 195 V HN 0.724 nan 8.190 nan 0.000 0.446 196 P HA 0.324 nan 4.420 nan 0.000 0.280 196 P C -0.327 177.045 177.300 0.119 0.000 1.300 196 P CA 0.044 63.147 63.100 0.006 0.000 0.785 196 P CB 0.527 32.162 31.700 -0.108 0.000 0.874 197 E N 1.535 121.814 120.200 0.131 0.000 2.175 197 E HA 0.244 4.594 4.350 0.000 0.000 0.278 197 E C 0.046 176.739 176.600 0.155 0.000 0.969 197 E CA -0.724 55.747 56.400 0.118 0.000 0.796 197 E CB 0.529 30.259 29.700 0.050 0.000 1.104 197 E HN 0.238 nan 8.360 nan 0.000 0.395 198 S N 2.498 118.303 115.700 0.174 0.000 3.348 198 S HA -0.141 4.329 4.470 0.000 0.000 0.366 198 S C -1.997 172.773 174.600 0.283 0.000 0.953 198 S CA 0.223 58.556 58.200 0.222 0.000 1.255 198 S CB -1.507 61.792 63.200 0.165 0.000 0.906 198 S HN 0.496 nan 8.310 nan 0.000 0.495 202 D N 1.811 122.261 120.400 0.083 0.000 2.346 202 D HA 0.493 5.133 4.640 0.000 0.000 0.255 202 D C 1.024 177.234 176.300 -0.151 0.000 1.276 202 D CA 0.168 54.144 54.000 -0.039 0.000 0.941 202 D CB 1.453 42.071 40.800 -0.304 0.000 1.199 202 D HN 0.286 nan 8.370 nan 0.000 0.537 203 G N 2.098 110.905 108.800 0.011 0.000 2.708 203 G HA2 -0.114 3.846 3.960 0.000 0.000 0.210 203 G HA3 -0.114 3.846 3.960 0.000 0.000 0.210 203 G C 0.442 175.282 174.900 -0.099 0.000 1.141 203 G CA 0.050 45.070 45.100 -0.132 0.000 0.788 203 G HN 0.408 nan 8.290 nan 0.000 0.531 207 D N 0.445 120.704 120.400 -0.236 0.000 2.772 207 D HA 0.156 4.796 4.640 0.000 0.000 0.255 207 D C 1.073 177.194 176.300 -0.298 0.000 1.206 207 D CA -0.134 53.763 54.000 -0.172 0.000 1.126 207 D CB 0.495 41.209 40.800 -0.143 0.000 1.012 207 D HN -0.088 nan 8.370 nan 0.000 0.322 208 D N -0.283 119.794 120.400 -0.538 0.000 2.106 208 D HA -0.055 4.585 4.640 0.000 0.000 0.203 208 D C 2.331 178.305 176.300 -0.544 0.000 0.977 208 D CA 0.840 54.395 54.000 -0.742 0.000 0.844 208 D CB -0.121 39.845 40.800 -1.390 0.000 1.002 208 D HN 0.387 nan 8.370 nan 0.000 0.461 209 W N 0.167 121.430 121.300 -0.062 0.000 2.409 209 W HA 0.021 4.681 4.660 0.000 0.000 0.299 209 W C 0.656 176.849 176.519 -0.543 0.000 1.203 209 W CA -0.289 56.961 57.345 -0.158 0.000 1.298 209 W CB -0.143 29.410 29.460 0.156 0.000 1.127 209 W HN -0.170 nan 8.180 nan 0.000 0.528 210 F N -0.649 119.203 119.950 -0.162 0.000 2.629 210 F HA 0.359 4.886 4.527 0.000 0.000 0.316 210 F C -0.390 175.151 175.800 -0.432 0.000 1.081 210 F CA -1.550 56.237 58.000 -0.356 0.000 0.954 210 F CB 0.998 39.504 39.000 -0.823 0.000 1.337 210 F HN -0.357 nan 8.300 nan 0.000 0.474 211 N N 0.796 119.396 118.700 -0.168 0.000 2.540 211 N HA 0.247 4.988 4.740 0.000 0.000 0.275 211 N C -1.584 173.691 175.510 -0.391 0.000 1.053 211 N CA -0.600 52.283 53.050 -0.279 0.000 0.876 211 N CB 0.962 39.436 38.487 -0.022 0.000 1.284 211 N HN 0.627 nan 8.380 nan 0.000 0.518 212 Y N 1.142 121.089 120.300 -0.589 0.000 3.305 212 Y HA -0.282 4.268 4.550 0.000 0.000 0.212 212 Y C 1.431 176.772 175.900 -0.932 0.000 1.248 212 Y CA 1.393 59.093 58.100 -0.666 0.000 1.359 212 Y CB -1.871 36.389 38.460 -0.333 0.000 1.407 212 Y HN 0.953 nan 8.280 nan 0.000 0.572 213 G N -2.028 105.855 108.800 -1.528 0.000 2.205 213 G HA2 -0.066 3.894 3.960 0.000 0.000 0.261 213 G HA3 -0.066 3.894 3.960 0.000 0.000 0.261 213 G C 0.395 175.151 174.900 -0.241 0.000 0.980 213 G CA -0.021 44.296 45.100 -1.304 0.000 0.632 213 G HN 1.598 nan 8.290 nan 0.000 0.533 214 A N 0.363 123.088 122.820 -0.159 0.000 2.354 214 A HA 0.643 4.963 4.320 0.000 0.000 0.281 214 A C -0.037 177.687 177.584 0.233 0.000 1.174 214 A CA -0.322 51.734 52.037 0.032 0.000 0.828 214 A CB 0.190 19.069 19.000 -0.203 0.000 1.099 214 A HN 1.283 nan 8.150 nan 0.000 0.516 215 F N 2.856 122.819 119.950 0.022 0.000 2.484 215 F HA 0.369 4.896 4.527 0.000 0.000 0.360 215 F C 0.740 176.373 175.800 -0.279 0.000 1.101 215 F CA -0.083 57.744 58.000 -0.288 0.000 1.251 215 F CB 0.653 39.429 39.000 -0.373 0.000 1.132 215 F HN 0.564 nan 8.300 nan 0.000 0.570 216 R N 5.892 125.545 120.500 -1.411 0.000 2.233 216 R HA 0.150 4.490 4.340 0.000 0.000 0.334 216 R C 0.835 176.096 176.300 -1.732 0.000 1.037 216 R CA -0.283 54.991 56.100 -1.376 0.000 0.920 216 R CB 0.791 30.506 30.300 -0.974 0.000 1.137 216 R HN 0.773 nan 8.270 nan 0.000 0.492 217 Q N 1.223 120.183 119.800 -1.399 0.000 2.436 217 Q HA -0.097 4.243 4.340 0.000 0.000 0.209 217 Q C 1.741 177.030 176.000 -1.186 0.000 0.965 217 Q CA 0.639 55.724 55.803 -1.198 0.000 0.910 217 Q CB 0.225 28.408 28.738 -0.925 0.000 0.980 217 Q HN 0.456 nan 8.270 nan 0.000 0.491 218 V N 1.929 120.946 119.914 -1.495 0.000 2.594 218 V HA -0.210 3.910 4.120 0.000 0.000 0.253 218 V C 1.213 176.617 176.094 -1.150 0.000 1.069 218 V CA 1.529 62.696 62.300 -1.889 0.000 1.082 218 V CB -0.255 30.339 31.823 -2.048 0.000 0.680 218 V HN 0.411 nan 8.190 nan 0.000 0.469 219 N N -0.568 117.558 118.700 -0.958 0.000 2.461 219 N HA 0.002 4.742 4.740 0.000 0.000 0.188 219 N C 1.322 176.192 175.510 -1.066 0.000 1.134 219 N CA 0.552 53.142 53.050 -0.767 0.000 0.878 219 N CB -0.148 38.070 38.487 -0.447 0.000 0.972 219 N HN 0.458 nan 8.380 nan 0.000 0.456 220 F N 1.932 121.471 119.950 -0.686 0.000 2.126 220 F HA -0.135 4.392 4.527 0.000 0.000 0.299 220 F C 2.039 177.695 175.800 -0.239 0.000 1.096 220 F CA 0.935 58.694 58.000 -0.401 0.000 1.255 220 F CB -0.310 38.733 39.000 0.072 0.000 0.997 220 F HN 0.041 nan 8.300 nan 0.000 0.479 221 D N -1.640 118.762 120.400 0.004 0.000 2.178 221 D HA -0.222 4.418 4.640 0.000 0.000 0.202 221 D C 2.058 178.384 176.300 0.043 0.000 0.974 221 D CA 0.977 55.001 54.000 0.040 0.000 0.841 221 D CB -0.522 40.282 40.800 0.007 0.000 0.953 221 D HN 0.344 nan 8.370 nan 0.000 0.478 222 Y N 0.761 120.970 120.300 -0.152 0.000 2.293 222 Y HA -0.221 4.329 4.550 0.000 0.000 0.291 222 Y C 1.871 177.886 175.900 0.191 0.000 1.137 222 Y CA 1.215 59.314 58.100 -0.002 0.000 1.202 222 Y CB -0.209 38.251 38.460 0.000 0.000 0.990 222 Y HN -0.201 nan 8.280 nan 0.000 0.537 223 F N -0.085 120.036 119.950 0.284 0.000 2.102 223 F HA -0.188 4.339 4.527 0.000 0.000 0.298 223 F C 2.760 178.617 175.800 0.095 0.000 1.105 223 F CA 1.674 59.808 58.000 0.224 0.000 1.239 223 F CB -1.760 37.460 39.000 0.367 0.000 0.991 223 F HN 0.131 nan 8.300 nan 0.000 0.474 224 T N -2.562 112.145 114.554 0.256 0.000 2.942 224 T HA 0.051 4.401 4.350 0.000 0.000 0.265 224 T C 2.342 177.065 174.700 0.039 0.000 1.062 224 T CA 0.990 63.165 62.100 0.125 0.000 1.139 224 T CB -1.079 67.844 68.868 0.092 0.000 0.883 224 T HN 0.267 nan 8.240 nan 0.000 0.468 225 G N 0.598 109.402 108.800 0.007 0.000 2.422 225 G HA2 -0.100 3.860 3.960 0.000 0.000 0.218 225 G HA3 -0.100 3.860 3.960 0.000 0.000 0.218 225 G C 1.721 176.553 174.900 -0.113 0.000 1.140 225 G CA 0.359 45.432 45.100 -0.046 0.000 0.775 225 G HN 0.424 nan 8.290 nan 0.000 0.545 226 Q N -0.796 118.888 119.800 -0.193 0.000 2.378 226 Q HA 0.313 4.653 4.340 0.000 0.000 0.229 226 Q C 2.123 178.006 176.000 -0.195 0.000 0.882 226 Q CA 0.210 55.855 55.803 -0.264 0.000 0.936 226 Q CB 0.754 29.212 28.738 -0.466 0.000 1.092 226 Q HN 0.506 nan 8.270 nan 0.000 0.535 227 L N -0.541 120.651 121.223 -0.053 0.000 2.766 227 L HA 0.238 4.578 4.340 0.000 0.000 0.242 227 L C 1.744 178.626 176.870 0.020 0.000 1.136 227 L CA 0.034 54.888 54.840 0.022 0.000 0.933 227 L CB 0.346 42.486 42.059 0.136 0.000 1.241 227 L HN -0.083 nan 8.230 nan 0.000 0.522 228 S N 0.868 116.563 115.700 -0.010 0.000 2.383 228 S HA -0.039 4.431 4.470 0.000 0.000 0.227 228 S C 0.600 175.177 174.600 -0.039 0.000 1.026 228 S CA 1.135 59.329 58.200 -0.009 0.000 0.981 228 S CB -0.024 63.167 63.200 -0.015 0.000 0.818 228 S HN 0.532 nan 8.310 nan 0.000 0.472 229 K N -0.878 119.467 120.400 -0.092 0.000 2.615 229 K HA 0.453 4.773 4.320 0.000 0.000 0.291 229 K C 0.105 176.577 176.600 -0.213 0.000 1.017 229 K CA -0.966 55.250 56.287 -0.118 0.000 0.882 229 K CB 0.915 33.350 32.500 -0.107 0.000 1.522 229 K HN -0.213 nan 8.250 nan 0.000 0.412 230 R N 0.309 120.686 120.500 -0.205 0.000 2.113 230 R HA -0.128 4.212 4.340 0.000 0.000 0.244 230 R C 1.031 177.003 176.300 -0.547 0.000 1.142 230 R CA 2.432 58.364 56.100 -0.279 0.000 0.953 230 R CB -0.610 29.584 30.300 -0.177 0.000 0.860 230 R HN 0.720 nan 8.270 nan 0.000 0.438 231 G N -0.158 108.301 108.800 -0.569 0.000 2.829 231 G HA2 0.064 4.024 3.960 0.000 0.000 0.173 231 G HA3 0.064 4.024 3.960 0.000 0.000 0.173 231 G C -0.981 173.453 174.900 -0.778 0.000 1.476 231 G CA -0.572 43.925 45.100 -1.006 0.000 1.072 231 G HN 0.155 nan 8.290 nan 0.000 0.577 232 K N 0.321 120.536 120.400 -0.309 0.000 2.350 232 K HA 0.386 4.706 4.320 0.000 0.000 0.279 232 K C 0.474 177.034 176.600 -0.067 0.000 1.027 232 K CA 0.244 56.515 56.287 -0.026 0.000 0.969 232 K CB 0.495 33.072 32.500 0.128 0.000 0.954 232 K HN 0.443 nan 8.250 nan 0.000 0.474 233 G N 1.679 110.453 108.800 -0.044 0.000 3.039 233 G HA2 0.751 4.711 3.960 0.000 0.000 0.159 233 G HA3 0.751 4.711 3.960 0.000 0.000 0.159 233 G C -1.346 173.550 174.900 -0.007 0.000 1.284 233 G CA -0.315 44.763 45.100 -0.038 0.000 0.996 233 G HN 0.766 nan 8.290 nan 0.000 0.592 234 A N -2.352 120.468 122.820 -0.001 0.000 2.593 234 A HA 0.835 5.155 4.320 0.000 0.000 0.290 234 A C 0.216 177.812 177.584 0.019 0.000 1.126 234 A CA 0.137 52.180 52.037 0.010 0.000 0.695 234 A CB 0.854 19.858 19.000 0.006 0.000 1.290 234 A HN 1.609 nan 8.150 nan 0.000 0.414 235 G N -0.852 107.964 108.800 0.025 0.000 2.553 235 G HA2 0.518 4.478 3.960 0.000 0.000 0.278 235 G HA3 0.518 4.478 3.960 0.000 0.000 0.278 235 G C -0.349 174.570 174.900 0.032 0.000 1.349 235 G CA -0.571 44.552 45.100 0.039 0.000 1.037 235 G HN 0.681 nan 8.290 nan 0.000 0.508 236 I N 0.912 121.510 120.570 0.047 0.000 2.359 236 I HA 0.394 4.564 4.170 0.000 0.000 0.294 236 I C 0.848 176.961 176.117 -0.007 0.000 0.987 236 I CA -0.607 60.698 61.300 0.007 0.000 1.225 236 I CB 1.696 39.708 38.000 0.021 0.000 1.366 236 I HN 0.496 nan 8.210 nan 0.000 0.466 237 A N 7.572 130.363 122.820 -0.049 0.000 2.520 237 A HA 0.354 4.674 4.320 0.000 0.000 0.245 237 A C 0.075 177.616 177.584 -0.071 0.000 1.072 237 A CA -0.152 51.856 52.037 -0.047 0.000 0.761 237 A CB 0.075 19.040 19.000 -0.059 0.000 1.004 237 A HN 0.604 nan 8.150 nan 0.000 0.499 238 R N 1.528 122.010 120.500 -0.030 0.000 2.643 238 R HA 0.303 4.643 4.340 0.000 0.000 0.272 238 R C 0.608 176.887 176.300 -0.035 0.000 0.995 238 R CA -0.801 55.282 56.100 -0.028 0.000 1.032 238 R CB 0.850 31.162 30.300 0.021 0.000 1.126 238 R HN 0.828 nan 8.270 nan 0.000 0.505 239 Q N -0.028 119.748 119.800 -0.040 0.000 2.187 239 Q HA 0.127 4.467 4.340 0.000 0.000 0.199 239 Q C 0.769 176.770 176.000 0.002 0.000 0.957 239 Q CA 0.984 56.769 55.803 -0.030 0.000 0.857 239 Q CB 0.381 29.098 28.738 -0.035 0.000 0.929 239 Q HN 0.771 nan 8.270 nan 0.000 0.453 240 G N -1.842 106.971 108.800 0.021 0.000 2.721 240 G HA2 0.249 4.209 3.960 0.000 0.000 0.296 240 G HA3 0.249 4.209 3.960 0.000 0.000 0.296 240 G C -0.474 174.481 174.900 0.091 0.000 1.383 240 G CA -0.424 44.710 45.100 0.056 0.000 0.788 240 G HN 0.039 nan 8.290 nan 0.000 0.500 241 H N -0.558 118.511 119.070 -0.001 0.000 2.372 241 H HA 0.090 4.646 4.556 0.000 0.000 0.301 241 H C 0.295 175.617 175.328 -0.010 0.000 1.065 241 H CA 1.400 57.445 56.048 -0.005 0.000 1.364 241 H CB 0.335 30.091 29.762 -0.010 0.000 1.406 241 H HN 0.293 nan 8.280 nan 0.000 0.521 242 D N 0.147 120.535 120.400 -0.021 0.000 2.336 242 D HA 0.009 4.649 4.640 0.000 0.000 0.249 242 D C 0.264 176.547 176.300 -0.027 0.000 1.213 242 D CA -0.141 53.816 54.000 -0.072 0.000 0.870 242 D CB 0.554 41.371 40.800 0.028 0.000 1.076 242 D HN 0.222 nan 8.370 nan 0.000 0.483 243 D N 2.448 122.783 120.400 -0.109 0.000 2.219 243 D HA -0.182 4.458 4.640 0.000 0.000 0.205 243 D C 1.399 177.740 176.300 0.068 0.000 0.970 243 D CA 0.644 54.612 54.000 -0.053 0.000 0.851 243 D CB -0.126 40.504 40.800 -0.283 0.000 0.943 243 D HN 0.583 nan 8.370 nan 0.000 0.488 244 Y N 1.411 121.668 120.300 -0.073 0.000 2.128 244 Y HA -0.259 4.291 4.550 0.000 0.000 0.284 244 Y C 2.369 178.413 175.900 0.240 0.000 1.154 244 Y CA 1.765 59.924 58.100 0.098 0.000 1.149 244 Y CB -0.114 38.402 38.460 0.094 0.000 0.976 244 Y HN -0.127 nan 8.280 nan 0.000 0.505 245 S N 0.387 116.287 115.700 0.334 0.000 2.371 245 S HA -0.158 4.312 4.470 0.000 0.000 0.224 245 S C 1.688 176.370 174.600 0.136 0.000 1.029 245 S CA 1.036 59.370 58.200 0.225 0.000 0.978 245 S CB -0.376 62.925 63.200 0.167 0.000 0.833 245 S HN 0.531 nan 8.310 nan 0.000 0.466 246 N N 1.253 120.003 118.700 0.084 0.000 2.069 246 N HA -0.055 4.685 4.740 0.000 0.000 0.191 246 N C 1.392 176.883 175.510 -0.031 0.000 1.031 246 N CA 1.356 54.402 53.050 -0.007 0.000 0.852 246 N CB -0.547 37.882 38.487 -0.098 0.000 1.018 246 N HN 0.367 nan 8.380 nan 0.000 0.423 247 F N 0.473 120.446 119.950 0.039 0.000 2.234 247 F HA 0.021 4.548 4.527 0.000 0.000 0.296 247 F C 2.145 178.071 175.800 0.209 0.000 1.089 247 F CA 0.149 58.182 58.000 0.055 0.000 1.343 247 F CB -0.430 38.460 39.000 -0.183 0.000 1.040 247 F HN -0.024 nan 8.300 nan 0.000 0.498 248 L N 0.199 121.650 121.223 0.380 0.000 2.056 248 L HA -0.190 4.150 4.340 0.000 0.000 0.207 248 L C 2.200 179.094 176.870 0.040 0.000 1.078 248 L CA 1.855 56.762 54.840 0.112 0.000 0.749 248 L CB -0.868 41.159 42.059 -0.054 0.000 0.901 248 L HN 0.142 nan 8.230 nan 0.000 0.433 249 Q N -1.140 118.702 119.800 0.070 0.000 2.119 249 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 249 Q C 2.223 178.250 176.000 0.045 0.000 0.972 249 Q CA 1.465 57.292 55.803 0.040 0.000 0.847 249 Q CB -0.284 28.478 28.738 0.040 0.000 0.903 249 Q HN 0.657 nan 8.270 nan 0.000 0.433 250 A N 0.079 122.953 122.820 0.090 0.000 1.969 250 A HA 0.170 4.490 4.320 0.000 0.000 0.218 250 A C 1.362 179.017 177.584 0.118 0.000 1.169 250 A CA 1.577 53.680 52.037 0.109 0.000 0.635 250 A CB -0.493 18.632 19.000 0.208 0.000 0.810 250 A HN 0.501 nan 8.150 nan 0.000 0.445 251 G N -1.268 107.598 108.800 0.110 0.000 2.893 251 G HA2 -0.043 3.917 3.960 0.000 0.000 0.222 251 G HA3 -0.043 3.917 3.960 0.000 0.000 0.222 251 G C 0.568 175.555 174.900 0.144 0.000 1.345 251 G CA 0.587 45.717 45.100 0.049 0.000 1.129 251 G HN 1.642 nan 8.290 nan 0.000 0.560 252 S N 1.024 116.885 115.700 0.269 0.000 2.655 252 S HA 0.711 5.181 4.470 0.000 0.000 0.265 252 S C 1.778 176.644 174.600 0.443 0.000 1.240 252 S CA 0.724 59.156 58.200 0.387 0.000 0.986 252 S CB 1.446 64.891 63.200 0.408 0.000 0.985 252 S HN 2.214 nan 8.310 nan 0.000 0.562 253 A N 0.782 123.901 122.820 0.498 0.000 1.930 253 A HA 0.177 4.497 4.320 0.000 0.000 0.217 253 A C 2.144 180.145 177.584 0.695 0.000 1.175 253 A CA 1.524 53.981 52.037 0.699 0.000 0.627 253 A CB -1.759 17.699 19.000 0.762 0.000 0.815 253 A HN 1.121 nan 8.150 nan 0.000 0.443 254 G N -0.348 108.814 108.800 0.604 0.000 2.422 254 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 254 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 254 G C 1.108 176.276 174.900 0.447 0.000 1.140 254 G CA 1.124 46.600 45.100 0.627 0.000 0.775 254 G HN 0.446 nan 8.290 nan 0.000 0.545 255 D N 0.011 120.629 120.400 0.363 0.000 2.117 255 D HA -0.084 4.556 4.640 0.000 0.000 0.198 255 D C 1.936 178.313 176.300 0.128 0.000 0.982 255 D CA 0.430 54.567 54.000 0.228 0.000 0.828 255 D CB -0.356 40.571 40.800 0.211 0.000 0.967 255 D HN 0.308 nan 8.370 nan 0.000 0.464 256 F N 1.673 121.628 119.950 0.007 0.000 2.102 256 F HA -0.138 4.389 4.527 0.000 0.000 0.298 256 F C 2.228 177.796 175.800 -0.387 0.000 1.105 256 F CA 1.596 59.479 58.000 -0.194 0.000 1.239 256 F CB -0.134 38.761 39.000 -0.174 0.000 0.991 256 F HN -0.069 nan 8.300 nan 0.000 0.474 257 A N 0.157 122.807 122.820 -0.283 0.000 1.877 257 A HA -0.241 4.079 4.320 0.000 0.000 0.216 257 A C 2.244 179.602 177.584 -0.377 0.000 1.186 257 A CA 1.941 53.603 52.037 -0.625 0.000 0.620 257 A CB -0.877 17.547 19.000 -0.959 0.000 0.822 257 A HN 0.476 nan 8.150 nan 0.000 0.443 258 K N -0.268 120.061 120.400 -0.119 0.000 2.026 258 K HA -0.073 4.247 4.320 0.000 0.000 0.208 258 K C 2.075 178.597 176.600 -0.130 0.000 1.048 258 K CA 1.368 57.629 56.287 -0.043 0.000 0.929 258 K CB -0.366 32.174 32.500 0.066 0.000 0.713 258 K HN 0.338 nan 8.250 nan 0.000 0.439 259 A N 0.648 123.351 122.820 -0.195 0.000 1.972 259 A HA -0.036 4.284 4.320 0.000 0.000 0.219 259 A C 2.156 179.554 177.584 -0.309 0.000 1.169 259 A CA 1.690 53.586 52.037 -0.236 0.000 0.635 259 A CB -0.612 18.225 19.000 -0.272 0.000 0.810 259 A HN 0.473 nan 8.150 nan 0.000 0.446 260 A N -1.857 120.700 122.820 -0.438 0.000 2.238 260 A HA 0.416 4.736 4.320 0.000 0.000 0.208 260 A C 1.726 179.167 177.584 -0.239 0.000 1.177 260 A CA 1.149 52.938 52.037 -0.414 0.000 0.804 260 A CB -0.871 17.770 19.000 -0.598 0.000 0.823 260 A HN 1.865 nan 8.150 nan 0.000 0.482 261 G N -0.854 107.836 108.800 -0.183 0.000 2.136 261 G HA2 -0.240 3.721 3.960 0.000 0.000 0.242 261 G HA3 -0.240 3.721 3.960 0.000 0.000 0.242 261 G C 0.653 175.518 174.900 -0.059 0.000 0.989 261 G CA 0.368 45.412 45.100 -0.093 0.000 0.682 261 G HN 0.465 nan 8.290 nan 0.000 0.522 262 L N -0.170 120.974 121.223 -0.132 0.000 2.551 262 L HA 0.091 4.431 4.340 0.000 0.000 0.228 262 L C 2.347 179.256 176.870 0.065 0.000 1.153 262 L CA 1.019 55.796 54.840 -0.105 0.000 0.851 262 L CB -0.294 41.525 42.059 -0.400 0.000 0.959 262 L HN 0.378 nan 8.230 nan 0.000 0.451 263 E N 0.225 120.495 120.200 0.116 0.000 2.478 263 E HA -0.181 4.169 4.350 0.000 0.000 0.198 263 E C 1.732 178.548 176.600 0.360 0.000 1.046 263 E CA 0.463 57.024 56.400 0.269 0.000 0.870 263 E CB 0.062 29.896 29.700 0.222 0.000 0.818 263 E HN 0.623 nan 8.360 nan 0.000 0.527 264 Q N 0.005 119.927 119.800 0.203 0.000 2.378 264 Q HA 0.049 4.389 4.340 0.000 0.000 0.205 264 Q C 0.315 176.426 176.000 0.185 0.000 0.954 264 Q CA 0.397 56.295 55.803 0.157 0.000 0.901 264 Q CB 0.262 29.054 28.738 0.090 0.000 0.981 264 Q HN 0.226 nan 8.270 nan 0.000 0.483 265 L N 1.776 123.145 121.223 0.244 0.000 2.257 265 L HA 0.199 4.539 4.340 0.000 0.000 0.290 265 L C -1.815 175.260 176.870 0.343 0.000 1.044 265 L CA -1.872 53.124 54.840 0.261 0.000 0.810 265 L CB 0.898 43.115 42.059 0.265 0.000 1.193 265 L HN -0.151 nan 8.230 nan 0.000 0.425 266 P HA -0.224 nan 4.420 nan 0.000 0.217 266 P C 1.370 178.800 177.300 0.217 0.000 1.148 266 P CA 1.274 64.500 63.100 0.210 0.000 0.828 266 P CB 0.074 31.853 31.700 0.131 0.000 0.783 267 W N -0.697 120.625 121.300 0.037 0.000 2.338 267 W HA -0.178 4.482 4.660 0.000 0.000 0.304 267 W C 1.940 178.386 176.519 -0.123 0.000 1.212 267 W CA 0.903 58.201 57.345 -0.078 0.000 1.264 267 W CB -0.867 28.498 29.460 -0.158 0.000 1.142 267 W HN 0.091 nan 8.180 nan 0.000 0.512 268 W N 0.943 122.092 121.300 -0.251 0.000 2.363 268 W HA -0.242 4.418 4.660 0.000 0.000 0.296 268 W C 2.257 178.502 176.519 -0.456 0.000 1.212 268 W CA 1.768 58.873 57.345 -0.400 0.000 1.260 268 W CB -0.803 28.543 29.460 -0.190 0.000 1.131 268 W HN -0.040 nan 8.180 nan 0.000 0.530 269 H N 0.489 119.342 119.070 -0.362 0.000 2.423 269 H HA -0.094 4.462 4.556 0.000 0.000 0.297 269 H C 2.096 177.083 175.328 -0.569 0.000 1.075 269 H CA 1.587 57.363 56.048 -0.455 0.000 1.342 269 H CB -0.049 29.577 29.762 -0.226 0.000 1.395 269 H HN 0.225 nan 8.280 nan 0.000 0.530 270 K N 0.514 120.640 120.400 -0.456 0.000 2.097 270 K HA -0.071 4.249 4.320 0.000 0.000 0.206 270 K C 2.385 178.576 176.600 -0.681 0.000 1.049 270 K CA 0.678 56.589 56.287 -0.627 0.000 0.933 270 K CB 0.037 32.143 32.500 -0.657 0.000 0.717 270 K HN 0.139 nan 8.250 nan 0.000 0.442 271 L N 0.664 121.413 121.223 -0.790 0.000 2.027 271 L HA -0.179 4.161 4.340 0.000 0.000 0.206 271 L C 2.724 179.224 176.870 -0.617 0.000 1.074 271 L CA 1.761 56.286 54.840 -0.525 0.000 0.745 271 L CB -0.966 40.654 42.059 -0.732 0.000 0.898 271 L HN 0.386 nan 8.230 nan 0.000 0.433 272 T N -3.803 110.039 114.554 -1.187 0.000 2.995 272 T HA -0.131 4.219 4.350 0.000 0.000 0.269 272 T C 1.504 175.930 174.700 -0.457 0.000 1.091 272 T CA 0.879 62.307 62.100 -1.120 0.000 1.128 272 T CB -0.181 67.908 68.868 -1.299 0.000 0.891 272 T HN 0.345 nan 8.240 nan 0.000 0.492 273 E N 0.370 120.264 120.200 -0.510 0.000 2.371 273 E HA -0.005 4.345 4.350 0.000 0.000 0.194 273 E C 0.185 176.363 176.600 -0.704 0.000 1.012 273 E CA 0.443 56.504 56.400 -0.565 0.000 0.860 273 E CB 0.168 29.424 29.700 -0.741 0.000 0.811 273 E HN 0.649 nan 8.360 nan 0.000 0.502 274 H N -1.113 117.877 119.070 -0.134 0.000 2.439 274 H HA 0.329 4.885 4.556 0.000 0.000 0.230 274 H C 0.442 175.996 175.328 0.377 0.000 1.420 274 H CA -0.108 55.969 56.048 0.049 0.000 1.305 274 H CB 0.788 30.448 29.762 -0.170 0.000 1.667 274 H HN 0.074 nan 8.280 nan 0.000 0.515 275 A N 0.998 124.044 122.820 0.377 0.000 1.969 275 A HA 0.214 4.534 4.320 0.000 0.000 0.218 275 A C 1.546 179.400 177.584 0.451 0.000 1.169 275 A CA 1.159 53.484 52.037 0.480 0.000 0.635 275 A CB 0.092 19.345 19.000 0.421 0.000 0.810 275 A HN 0.485 nan 8.150 nan 0.000 0.445 276 A N -2.082 120.956 122.820 0.364 0.000 2.252 276 A HA 0.528 4.848 4.320 0.000 0.000 0.305 276 A C -0.216 177.204 177.584 -0.273 0.000 1.097 276 A CA -0.531 51.629 52.037 0.205 0.000 0.849 276 A CB 0.056 19.235 19.000 0.298 0.000 1.142 276 A HN 0.410 nan 8.150 nan 0.000 0.499 277 Y N 2.132 121.781 120.300 -1.085 0.000 2.734 277 Y HA 0.167 4.717 4.550 0.000 0.000 0.353 277 Y C 0.278 175.942 175.900 -0.395 0.000 1.244 277 Y CA -0.978 56.376 58.100 -1.243 0.000 1.950 277 Y CB -1.014 36.523 38.460 -1.538 0.000 2.028 277 Y HN 0.766 nan 8.280 nan 0.000 0.421 278 D N -0.044 120.224 120.400 -0.220 0.000 2.469 278 D HA 0.237 4.877 4.640 0.000 0.000 0.278 278 D C 1.532 177.679 176.300 -0.254 0.000 1.231 278 D CA 0.097 54.010 54.000 -0.145 0.000 1.075 278 D CB 0.029 40.835 40.800 0.010 0.000 1.121 278 D HN 0.209 nan 8.370 nan 0.000 0.571 279 A N -0.879 121.836 122.820 -0.175 0.000 1.940 279 A HA -0.141 4.179 4.320 0.000 0.000 0.219 279 A C 2.010 179.434 177.584 -0.266 0.000 1.176 279 A CA 1.448 53.368 52.037 -0.193 0.000 0.631 279 A CB -1.267 17.665 19.000 -0.114 0.000 0.814 279 A HN 0.538 nan 8.150 nan 0.000 0.446 280 F N -0.811 118.809 119.950 -0.549 0.000 2.091 280 F HA -0.227 4.300 4.527 0.000 0.000 0.299 280 F C 1.927 177.311 175.800 -0.693 0.000 1.103 280 F CA 1.978 59.501 58.000 -0.795 0.000 1.228 280 F CB -0.452 37.641 39.000 -1.513 0.000 0.984 280 F HN 0.429 nan 8.300 nan 0.000 0.477 281 W N 0.107 121.189 121.300 -0.364 0.000 2.494 281 W HA -0.005 4.655 4.660 0.000 0.000 0.286 281 W C 2.512 178.718 176.519 -0.522 0.000 1.218 281 W CA 0.581 57.685 57.345 -0.402 0.000 1.313 281 W CB -0.640 28.606 29.460 -0.357 0.000 1.105 281 W HN -0.020 nan 8.180 nan 0.000 0.561 282 Q N 0.465 119.951 119.800 -0.522 0.000 2.084 282 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 282 Q C 1.846 177.737 176.000 -0.183 0.000 0.978 282 Q CA 1.241 56.777 55.803 -0.445 0.000 0.844 282 Q CB -0.236 28.258 28.738 -0.407 0.000 0.898 282 Q HN 0.212 nan 8.270 nan 0.000 0.426 283 E N 0.335 120.418 120.200 -0.196 0.000 2.418 283 E HA -0.113 4.237 4.350 0.000 0.000 0.197 283 E C 1.309 177.853 176.600 -0.093 0.000 1.026 283 E CA 0.723 57.044 56.400 -0.131 0.000 0.862 283 E CB 0.200 29.806 29.700 -0.157 0.000 0.799 283 E HN 0.470 nan 8.360 nan 0.000 0.518 284 Q N -0.336 119.407 119.800 -0.096 0.000 2.352 284 Q HA 0.217 4.557 4.340 0.000 0.000 0.212 284 Q C 0.342 176.425 176.000 0.137 0.000 0.888 284 Q CA -0.135 55.676 55.803 0.014 0.000 0.934 284 Q CB 0.774 29.499 28.738 -0.022 0.000 1.093 284 Q HN 0.018 nan 8.270 nan 0.000 0.523 285 A N 1.280 124.174 122.820 0.124 0.000 2.473 285 A HA 0.067 4.387 4.320 0.000 0.000 0.282 285 A C 0.846 178.528 177.584 0.163 0.000 1.163 285 A CA 0.138 52.278 52.037 0.171 0.000 0.827 285 A CB -0.138 18.973 19.000 0.185 0.000 1.098 285 A HN 0.378 nan 8.150 nan 0.000 0.515 286 L N 1.621 122.960 121.223 0.193 0.000 2.395 286 L HA -0.073 4.267 4.340 0.000 0.000 0.218 286 L C 1.843 178.808 176.870 0.158 0.000 1.130 286 L CA 0.954 55.901 54.840 0.180 0.000 0.826 286 L CB -0.353 41.835 42.059 0.216 0.000 0.941 286 L HN 0.849 nan 8.230 nan 0.000 0.451 287 D N -0.278 120.223 120.400 0.167 0.000 2.183 287 D HA -0.180 4.460 4.640 0.000 0.000 0.203 287 D C 1.768 178.138 176.300 0.117 0.000 0.969 287 D CA 0.891 54.965 54.000 0.123 0.000 0.842 287 D CB -0.183 40.730 40.800 0.189 0.000 0.957 287 D HN 0.092 nan 8.370 nan 0.000 0.484 288 K N 0.716 121.199 120.400 0.139 0.000 2.155 288 K HA 0.072 4.392 4.320 0.000 0.000 0.203 288 K C 1.225 177.881 176.600 0.093 0.000 1.052 288 K CA 0.031 56.388 56.287 0.116 0.000 0.948 288 K CB -0.380 32.191 32.500 0.119 0.000 0.728 288 K HN 0.172 nan 8.250 nan 0.000 0.448 292 R N 0.375 120.910 120.500 0.058 0.000 2.586 292 R HA 0.380 4.720 4.340 0.000 0.000 0.336 292 R C -0.773 175.561 176.300 0.057 0.000 1.060 292 R CA 0.447 56.578 56.100 0.051 0.000 1.079 292 R CB -0.072 30.256 30.300 0.047 0.000 1.317 292 R HN 0.106 nan 8.270 nan 0.000 0.568 293 T N 3.293 117.889 114.554 0.071 0.000 2.758 293 T HA 0.356 4.706 4.350 0.000 0.000 0.285 293 T C -2.443 172.304 174.700 0.078 0.000 0.981 293 T CA -1.533 60.616 62.100 0.081 0.000 0.965 293 T CB 1.786 70.719 68.868 0.109 0.000 0.927 293 T HN 0.080 nan 8.240 nan 0.000 0.448 294 P HA 0.179 nan 4.420 nan 0.000 0.266 294 P C -0.763 176.578 177.300 0.069 0.000 1.195 294 P CA -0.598 62.537 63.100 0.059 0.000 0.768 294 P CB 0.359 32.089 31.700 0.050 0.000 0.838 295 L N 3.763 125.025 121.223 0.065 0.000 2.342 295 L HA 0.197 4.537 4.340 0.000 0.000 0.285 295 L C 1.490 178.392 176.870 0.053 0.000 1.095 295 L CA 0.943 55.827 54.840 0.072 0.000 0.843 295 L CB -0.087 42.014 42.059 0.070 0.000 1.201 295 L HN 0.446 nan 8.230 nan 0.000 0.445 296 K N 1.743 122.170 120.400 0.044 0.000 2.485 296 K HA 0.302 4.622 4.320 0.000 0.000 0.200 296 K C -0.237 176.351 176.600 -0.019 0.000 1.344 296 K CA 0.037 56.336 56.287 0.019 0.000 0.948 296 K CB 0.892 33.406 32.500 0.023 0.000 1.454 296 K HN 0.264 nan 8.250 nan 0.000 0.502 297 V N 4.437 124.334 119.914 -0.028 0.000 2.383 297 V HA 0.283 4.403 4.120 0.000 0.000 0.275 297 V C -2.489 173.556 176.094 -0.082 0.000 1.036 297 V CA -2.108 60.132 62.300 -0.100 0.000 0.889 297 V CB 1.054 32.820 31.823 -0.094 0.000 0.985 297 V HN 0.148 nan 8.190 nan 0.000 0.459 298 P HA 0.134 nan 4.420 nan 0.000 0.258 298 P C -0.084 177.300 177.300 0.139 0.000 1.187 298 P CA 0.697 63.791 63.100 -0.009 0.000 0.767 298 P CB 0.250 31.697 31.700 -0.422 0.000 0.770 302 L N 4.372 125.751 121.223 0.260 0.000 2.388 302 L HA 0.822 5.162 4.340 0.000 0.000 0.264 302 L C -0.663 176.295 176.870 0.145 0.000 0.998 302 L CA -0.376 54.538 54.840 0.123 0.000 0.817 302 L CB 1.923 43.989 42.059 0.012 0.000 1.338 302 L HN 0.597 nan 8.230 nan 0.000 0.414 303 Q N 2.748 122.619 119.800 0.118 0.000 2.804 303 Q HA 0.591 4.931 4.340 0.000 0.000 0.302 303 Q C -1.433 174.662 176.000 0.157 0.000 0.885 303 Q CA -0.889 54.998 55.803 0.140 0.000 0.759 303 Q CB 1.407 30.215 28.738 0.117 0.000 1.465 303 Q HN 0.721 nan 8.270 nan 0.000 0.432 304 G N 0.311 109.218 108.800 0.177 0.000 2.425 304 G HA2 0.457 4.417 3.960 0.000 0.000 0.302 304 G HA3 0.457 4.417 3.960 0.000 0.000 0.302 304 G C 0.184 175.031 174.900 -0.089 0.000 1.159 304 G CA -0.900 44.278 45.100 0.131 0.000 0.865 304 G HN 0.581 nan 8.290 nan 0.000 0.515 305 L N 0.149 121.177 121.223 -0.324 0.000 2.201 305 L HA 0.040 4.380 4.340 0.000 0.000 0.212 305 L C 1.081 177.663 176.870 -0.479 0.000 1.105 305 L CA 0.663 55.187 54.840 -0.527 0.000 0.775 305 L CB 0.048 41.561 42.059 -0.910 0.000 0.913 305 L HN 0.529 nan 8.230 nan 0.000 0.440 306 W N 0.117 121.355 121.300 -0.103 0.000 2.410 306 W HA 0.198 4.858 4.660 0.000 0.000 0.400 306 W C 0.044 176.512 176.519 -0.085 0.000 0.777 306 W CA -0.926 56.351 57.345 -0.113 0.000 2.632 306 W CB -0.124 29.264 29.460 -0.121 0.000 1.504 306 W HN -0.047 nan 8.180 nan 0.000 0.757 307 D N 2.503 122.972 120.400 0.115 0.000 2.367 307 D HA -0.052 4.588 4.640 0.000 0.000 0.255 307 D C 1.666 178.003 176.300 0.062 0.000 1.300 307 D CA 0.473 54.556 54.000 0.138 0.000 0.959 307 D CB 0.924 41.825 40.800 0.170 0.000 1.064 307 D HN 0.172 nan 8.370 nan 0.000 0.509 308 Q N 2.429 122.209 119.800 -0.032 0.000 2.482 308 Q HA -0.070 4.270 4.340 0.000 0.000 0.209 308 Q C 0.231 176.185 176.000 -0.076 0.000 0.961 308 Q CA 0.955 56.668 55.803 -0.150 0.000 0.945 308 Q CB 0.262 28.710 28.738 -0.483 0.000 1.012 308 Q HN 0.575 nan 8.270 nan 0.000 0.515 309 E N -0.152 119.981 120.200 -0.111 0.000 2.406 309 E HA 0.146 4.496 4.350 0.000 0.000 0.204 309 E C -0.159 176.339 176.600 -0.169 0.000 0.820 309 E CA 0.087 56.352 56.400 -0.225 0.000 1.136 309 E CB 0.697 29.998 29.700 -0.665 0.000 1.129 309 E HN 0.319 nan 8.360 nan 0.000 0.530 313 G N 2.207 111.230 108.800 0.372 0.000 2.628 313 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 313 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 313 G C 1.586 176.586 174.900 0.167 0.000 1.240 313 G CA 3.047 48.327 45.100 0.300 0.000 0.792 313 G HN 0.391 nan 8.290 nan 0.000 0.593 314 A N 0.250 123.186 122.820 0.193 0.000 1.883 314 A HA -0.018 4.302 4.320 0.000 0.000 0.217 314 A C 2.433 180.025 177.584 0.012 0.000 1.186 314 A CA 1.946 54.104 52.037 0.202 0.000 0.624 314 A CB -0.493 18.673 19.000 0.276 0.000 0.822 314 A HN 0.504 nan 8.150 nan 0.000 0.444 315 I N -0.724 119.837 120.570 -0.015 0.000 2.226 315 I HA -0.198 3.972 4.170 0.000 0.000 0.245 315 I C 2.061 178.065 176.117 -0.189 0.000 1.100 315 I CA 1.896 63.139 61.300 -0.095 0.000 1.374 315 I CB -0.591 37.324 38.000 -0.143 0.000 1.057 315 I HN 0.459 nan 8.210 nan 0.000 0.413 316 H N -0.730 118.170 119.070 -0.283 0.000 2.428 316 H HA 0.028 4.584 4.556 0.000 0.000 0.296 316 H C 2.407 177.572 175.328 -0.272 0.000 1.062 316 H CA 1.548 57.400 56.048 -0.326 0.000 1.350 316 H CB -0.102 29.337 29.762 -0.539 0.000 1.403 316 H HN 0.270 nan 8.280 nan 0.000 0.533 317 S N -0.352 115.158 115.700 -0.317 0.000 2.387 317 S HA -0.159 4.311 4.470 0.000 0.000 0.226 317 S C 1.824 175.900 174.600 -0.873 0.000 1.026 317 S CA 0.899 58.678 58.200 -0.703 0.000 0.972 317 S CB -0.357 62.016 63.200 -1.380 0.000 0.814 317 S HN 0.505 nan 8.310 nan 0.000 0.477 318 Y N 2.619 122.338 120.300 -0.968 0.000 2.181 318 Y HA -0.150 4.400 4.550 0.000 0.000 0.288 318 Y C 2.351 178.117 175.900 -0.224 0.000 1.146 318 Y CA 1.160 58.929 58.100 -0.551 0.000 1.164 318 Y CB -0.717 37.623 38.460 -0.201 0.000 0.982 318 Y HN 0.207 nan 8.280 nan 0.000 0.515 319 A N 1.105 123.799 122.820 -0.211 0.000 1.969 319 A HA 0.167 4.487 4.320 0.000 0.000 0.218 319 A C 1.749 179.210 177.584 -0.205 0.000 1.169 319 A CA 0.813 52.721 52.037 -0.215 0.000 0.635 319 A CB -1.427 17.502 19.000 -0.117 0.000 0.810 319 A HN 0.568 nan 8.150 nan 0.000 0.445 323 P HA -0.043 nan 4.420 nan 0.000 0.221 323 P C 0.534 177.810 177.300 -0.040 0.000 1.145 323 P CA 1.122 64.183 63.100 -0.065 0.000 0.795 323 P CB 0.020 31.690 31.700 -0.050 0.000 0.775 324 R N -1.164 119.314 120.500 -0.037 0.000 2.359 324 R HA 0.080 4.421 4.340 0.000 0.000 0.231 324 R C 0.238 176.534 176.300 -0.006 0.000 0.913 324 R CA -0.033 56.060 56.100 -0.011 0.000 1.075 324 R CB -0.124 30.177 30.300 0.002 0.000 1.087 324 R HN 0.040 nan 8.270 nan 0.000 0.515 325 D N 1.389 121.775 120.400 -0.023 0.000 2.631 325 D HA 0.066 4.706 4.640 0.000 0.000 0.227 325 D C 0.578 176.873 176.300 -0.009 0.000 1.146 325 D CA 0.078 54.069 54.000 -0.016 0.000 1.009 325 D CB 0.355 41.127 40.800 -0.046 0.000 1.057 325 D HN -0.048 nan 8.370 nan 0.000 0.509 326 K N 0.605 121.008 120.400 0.005 0.000 2.059 326 K HA -0.138 4.182 4.320 0.000 0.000 0.212 326 K C 1.251 177.859 176.600 0.014 0.000 1.050 326 K CA 1.010 57.303 56.287 0.010 0.000 0.927 326 K CB 0.238 32.748 32.500 0.016 0.000 0.714 326 K HN 0.150 nan 8.250 nan 0.000 0.447 327 R N 0.432 120.946 120.500 0.023 0.000 2.334 327 R HA 0.074 4.414 4.340 0.000 0.000 0.216 327 R C 0.159 176.475 176.300 0.027 0.000 0.905 327 R CA -0.026 56.093 56.100 0.032 0.000 1.064 327 R CB -0.512 29.817 30.300 0.047 0.000 1.046 327 R HN 0.246 nan 8.270 nan 0.000 0.508 328 N N 0.946 119.646 118.700 -0.000 0.000 2.754 328 N HA -0.147 4.593 4.740 0.000 0.000 0.248 328 N C -0.208 175.252 175.510 -0.084 0.000 1.093 328 N CA 1.396 54.416 53.050 -0.049 0.000 0.699 328 N CB -1.108 37.367 38.487 -0.019 0.000 1.016 328 N HN 0.452 nan 8.380 nan 0.000 0.552 329 T N -4.030 110.524 114.554 0.001 0.000 3.170 329 T HA 0.394 4.744 4.350 0.000 0.000 0.288 329 T C 1.288 176.165 174.700 0.295 0.000 0.992 329 T CA -0.221 61.983 62.100 0.172 0.000 0.909 329 T CB 0.073 69.083 68.868 0.237 0.000 1.133 329 T HN 0.181 nan 8.240 nan 0.000 0.530 330 L N -0.202 121.094 121.223 0.122 0.000 2.878 330 L HA 0.508 4.848 4.340 0.000 0.000 0.253 330 L C 0.040 177.040 176.870 0.217 0.000 1.135 330 L CA -0.135 54.828 54.840 0.206 0.000 0.943 330 L CB 0.585 42.716 42.059 0.119 0.000 1.307 330 L HN 0.128 nan 8.230 nan 0.000 0.545 331 N N -0.397 118.327 118.700 0.040 0.000 2.519 331 N HA 0.375 5.115 4.740 0.000 0.000 0.286 331 N C -1.544 174.028 175.510 0.103 0.000 1.079 331 N CA -0.251 52.909 53.050 0.183 0.000 0.878 331 N CB 1.032 39.598 38.487 0.132 0.000 1.375 331 N HN -0.120 nan 8.380 nan 0.000 0.514 332 Y N 1.579 122.099 120.300 0.368 0.000 2.562 332 Y HA 0.661 5.211 4.550 0.000 0.000 0.343 332 Y C -0.673 175.381 175.900 0.256 0.000 1.025 332 Y CA -1.060 57.195 58.100 0.258 0.000 1.082 332 Y CB 1.653 40.093 38.460 -0.033 0.000 1.264 332 Y HN 0.361 nan 8.280 nan 0.000 0.478 333 L N 1.740 123.034 121.223 0.118 0.000 2.408 333 L HA 0.891 5.231 4.340 0.000 0.000 0.268 333 L C -1.444 175.376 176.870 -0.084 0.000 0.986 333 L CA -0.566 54.162 54.840 -0.187 0.000 0.820 333 L CB 1.722 43.240 42.059 -0.902 0.000 1.303 333 L HN 0.502 nan 8.230 nan 0.000 0.411 337 P HA 0.281 nan 4.420 nan 0.000 0.225 337 P C -1.059 175.888 177.300 -0.589 0.000 1.813 337 P CA -0.077 62.283 63.100 -1.234 0.000 1.013 337 P CB -0.253 30.229 31.700 -2.030 0.000 1.961 338 W N 2.442 123.669 121.300 -0.121 0.000 2.950 338 W HA 0.391 5.051 4.660 0.000 0.000 0.340 338 W C 0.553 177.141 176.519 0.116 0.000 1.139 338 W CA -0.848 56.502 57.345 0.009 0.000 1.188 338 W CB 1.223 30.647 29.460 -0.060 0.000 1.426 338 W HN 0.087 nan 8.180 nan 0.000 0.531 339 R N -0.172 120.538 120.500 0.350 0.000 2.531 339 R HA 0.372 4.712 4.340 0.000 0.000 0.260 339 R C -0.139 176.286 176.300 0.209 0.000 1.144 339 R CA -0.709 55.519 56.100 0.214 0.000 1.171 339 R CB -0.218 30.138 30.300 0.094 0.000 1.199 339 R HN 0.376 nan 8.270 nan 0.000 0.594 340 H N 0.164 119.273 119.070 0.066 0.000 3.107 340 H HA 0.035 4.591 4.556 0.000 0.000 0.301 340 H C -0.253 175.131 175.328 0.094 0.000 0.981 340 H CA 1.703 57.799 56.048 0.081 0.000 1.443 340 H CB 0.047 29.846 29.762 0.062 0.000 1.479 340 H HN 0.722 nan 8.280 nan 0.000 0.564 341 S N 1.908 117.422 115.700 -0.310 0.000 3.127 341 S HA -0.339 4.131 4.470 0.000 0.000 0.281 341 S C 1.571 176.166 174.600 -0.009 0.000 1.293 341 S CA 1.220 59.307 58.200 -0.188 0.000 1.156 341 S CB -1.395 61.731 63.200 -0.123 0.000 1.389 341 S HN 0.913 nan 8.310 nan 0.000 0.672 342 Q N 0.478 120.247 119.800 -0.052 0.000 2.364 342 Q HA -0.007 4.333 4.340 0.000 0.000 0.209 342 Q C 1.970 177.712 176.000 -0.430 0.000 0.977 342 Q CA 1.449 57.209 55.803 -0.071 0.000 0.885 342 Q CB -0.131 28.600 28.738 -0.011 0.000 0.941 342 Q HN 0.619 nan 8.270 nan 0.000 0.464 343 V N 1.275 120.712 119.914 -0.795 0.000 2.688 343 V HA -0.194 3.926 4.120 0.000 0.000 0.256 343 V C 0.861 176.669 176.094 -0.476 0.000 1.084 343 V CA 1.711 63.377 62.300 -1.057 0.000 1.103 343 V CB -0.271 30.945 31.823 -1.011 0.000 0.688 343 V HN 0.456 nan 8.190 nan 0.000 0.480 344 N N -1.533 116.949 118.700 -0.364 0.000 2.235 344 N HA 0.166 4.906 4.740 0.000 0.000 0.209 344 N C -0.239 174.833 175.510 -0.731 0.000 1.122 344 N CA 0.196 52.965 53.050 -0.469 0.000 0.845 344 N CB 0.485 38.681 38.487 -0.485 0.000 1.004 344 N HN 0.584 nan 8.380 nan 0.000 0.499 345 Y N -0.256 119.961 120.300 -0.138 0.000 3.345 345 Y HA 0.316 4.866 4.550 0.000 0.000 0.279 345 Y C 0.088 175.952 175.900 -0.059 0.000 1.980 345 Y CA -1.026 57.027 58.100 -0.077 0.000 0.912 345 Y CB 0.109 38.535 38.460 -0.056 0.000 1.460 345 Y HN -0.256 nan 8.280 nan 0.000 0.605 346 D N -0.068 120.441 120.400 0.182 0.000 2.274 346 D HA 0.293 4.933 4.640 0.000 0.000 0.239 346 D C 0.165 176.555 176.300 0.151 0.000 1.104 346 D CA -0.112 53.964 54.000 0.125 0.000 0.840 346 D CB 1.440 42.305 40.800 0.108 0.000 1.100 346 D HN 0.713 nan 8.370 nan 0.000 0.477 347 G N 2.050 110.967 108.800 0.196 0.000 3.609 347 G HA2 0.036 3.996 3.960 0.000 0.000 0.280 347 G HA3 0.036 3.996 3.960 0.000 0.000 0.280 347 G C 0.996 176.127 174.900 0.384 0.000 1.155 347 G CA -0.280 45.024 45.100 0.340 0.000 0.876 347 G HN 0.410 nan 8.290 nan 0.000 0.535 348 S N -0.056 115.803 115.700 0.265 0.000 2.489 348 S HA 0.486 4.956 4.470 0.000 0.000 0.228 348 S C 1.048 175.725 174.600 0.128 0.000 0.995 348 S CA 0.740 59.066 58.200 0.211 0.000 0.934 348 S CB 0.288 63.554 63.200 0.110 0.000 0.771 348 S HN 0.784 nan 8.310 nan 0.000 0.522 349 A N 0.301 123.184 122.820 0.105 0.000 2.601 349 A HA 0.740 5.060 4.320 0.000 0.000 0.291 349 A C -2.233 175.322 177.584 -0.048 0.000 1.075 349 A CA -0.639 51.251 52.037 -0.246 0.000 0.671 349 A CB 1.061 19.922 19.000 -0.232 0.000 1.277 349 A HN 0.185 nan 8.150 nan 0.000 0.417 350 L N 1.042 122.119 121.223 -0.242 0.000 2.541 350 L HA 0.647 4.988 4.340 0.000 0.000 0.266 350 L C 0.725 177.457 176.870 -0.229 0.000 0.966 350 L CA 1.561 56.352 54.840 -0.081 0.000 0.871 350 L CB 1.127 43.257 42.059 0.118 0.000 1.232 350 L HN 2.580 nan 8.230 nan 0.000 0.408 351 G N 3.765 112.463 108.800 -0.171 0.000 2.611 351 G HA2 -0.266 3.694 3.960 0.000 0.000 0.301 351 G HA3 -0.266 3.694 3.960 0.000 0.000 0.301 351 G C 0.807 175.569 174.900 -0.230 0.000 1.233 351 G CA 0.500 45.490 45.100 -0.182 0.000 0.993 351 G HN 1.640 nan 8.290 nan 0.000 0.553 352 A N -0.228 122.434 122.820 -0.263 0.000 2.208 352 A HA 0.566 4.887 4.320 0.000 0.000 0.209 352 A C 1.329 178.658 177.584 -0.424 0.000 1.161 352 A CA 0.904 52.754 52.037 -0.312 0.000 0.782 352 A CB -0.252 18.562 19.000 -0.310 0.000 0.816 352 A HN 0.720 nan 8.150 nan 0.000 0.477 353 L N 1.423 122.357 121.223 -0.483 0.000 2.349 353 L HA 0.250 4.590 4.340 0.000 0.000 0.275 353 L C -0.541 175.860 176.870 -0.781 0.000 1.115 353 L CA -0.472 54.019 54.840 -0.582 0.000 0.820 353 L CB 0.502 42.219 42.059 -0.570 0.000 1.135 353 L HN 0.217 nan 8.230 nan 0.000 0.445 354 N N 2.802 121.119 118.700 -0.638 0.000 2.372 354 N HA 0.507 5.247 4.740 0.000 0.000 0.285 354 N C -0.866 174.362 175.510 -0.470 0.000 1.008 354 N CA -0.360 52.359 53.050 -0.551 0.000 0.880 354 N CB 2.026 40.363 38.487 -0.250 0.000 1.239 354 N HN 0.200 nan 8.380 nan 0.000 0.484 355 F N 0.029 119.974 119.950 -0.008 0.000 2.518 355 F HA 0.324 4.851 4.527 0.000 0.000 0.338 355 F C 1.290 177.124 175.800 0.056 0.000 1.065 355 F CA -0.915 57.092 58.000 0.011 0.000 1.012 355 F CB 0.567 39.481 39.000 -0.143 0.000 1.297 355 F HN 0.135 nan 8.300 nan 0.000 0.489 356 E N 1.660 122.062 120.200 0.336 0.000 1.856 356 E HA 0.408 4.758 4.350 0.000 0.000 0.263 356 E C 0.480 177.218 176.600 0.231 0.000 1.137 356 E CA 0.127 56.669 56.400 0.236 0.000 1.007 356 E CB -0.002 29.832 29.700 0.224 0.000 1.117 356 E HN 0.780 nan 8.360 nan 0.000 0.438 357 G N 3.004 111.916 108.800 0.188 0.000 2.757 357 G HA2 -0.243 3.717 3.960 0.000 0.000 0.638 357 G HA3 -0.243 3.717 3.960 0.000 0.000 0.638 357 G C -0.454 174.572 174.900 0.210 0.000 1.344 357 G CA -0.634 44.574 45.100 0.179 0.000 0.855 357 G HN 0.466 nan 8.290 nan 0.000 0.537 358 D N 0.779 121.295 120.400 0.194 0.000 2.455 358 D HA 0.351 4.991 4.640 0.000 0.000 0.234 358 D C 2.157 178.640 176.300 0.304 0.000 1.224 358 D CA 0.780 54.907 54.000 0.212 0.000 0.999 358 D CB 0.052 40.941 40.800 0.147 0.000 1.072 358 D HN 0.772 nan 8.370 nan 0.000 0.514 359 T N 0.706 115.481 114.554 0.368 0.000 2.881 359 T HA -0.133 4.217 4.350 0.000 0.000 0.270 359 T C 1.785 176.964 174.700 0.798 0.000 1.068 359 T CA 0.956 63.393 62.100 0.561 0.000 1.131 359 T CB -0.021 68.941 68.868 0.157 0.000 0.871 359 T HN 0.252 nan 8.240 nan 0.000 0.479 360 A N 2.154 125.310 122.820 0.560 0.000 1.872 360 A HA 0.093 4.413 4.320 0.000 0.000 0.214 360 A C 2.454 180.190 177.584 0.253 0.000 1.187 360 A CA 1.636 53.839 52.037 0.276 0.000 0.614 360 A CB -0.707 18.244 19.000 -0.083 0.000 0.826 360 A HN 0.452 nan 8.150 nan 0.000 0.442 361 R N 0.214 120.825 120.500 0.184 0.000 2.096 361 R HA -0.125 4.215 4.340 0.000 0.000 0.235 361 R C 2.100 178.492 176.300 0.154 0.000 1.127 361 R CA 2.155 58.319 56.100 0.106 0.000 0.968 361 R CB -0.805 29.536 30.300 0.068 0.000 0.861 361 R HN 0.678 nan 8.270 nan 0.000 0.440 362 Q N -1.059 118.907 119.800 0.276 0.000 2.084 362 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 362 Q C 1.858 177.991 176.000 0.221 0.000 0.978 362 Q CA 1.882 57.858 55.803 0.288 0.000 0.844 362 Q CB -0.348 28.666 28.738 0.460 0.000 0.898 362 Q HN 0.410 nan 8.270 nan 0.000 0.426 363 F N 1.318 121.403 119.950 0.226 0.000 2.075 363 F HA -0.146 4.382 4.527 0.000 0.000 0.297 363 F C 2.047 177.815 175.800 -0.055 0.000 1.113 363 F CA 1.431 59.497 58.000 0.110 0.000 1.218 363 F CB -0.093 39.122 39.000 0.358 0.000 0.984 363 F HN -0.158 nan 8.300 nan 0.000 0.472 364 R N -0.859 119.416 120.500 -0.376 0.000 2.091 364 R HA -0.211 4.129 4.340 0.000 0.000 0.238 364 R C 2.483 178.503 176.300 -0.466 0.000 1.136 364 R CA 1.692 57.442 56.100 -0.583 0.000 0.959 364 R CB -0.996 29.119 30.300 -0.308 0.000 0.856 364 R HN 0.520 nan 8.270 nan 0.000 0.437 365 H N 0.467 119.342 119.070 -0.325 0.000 2.370 365 H HA -0.025 4.531 4.556 0.000 0.000 0.304 365 H C 0.853 176.037 175.328 -0.239 0.000 1.055 365 H CA 1.130 57.032 56.048 -0.243 0.000 1.373 365 H CB 0.447 30.127 29.762 -0.137 0.000 1.423 365 H HN 0.100 nan 8.280 nan 0.000 0.533 366 D N -0.105 120.170 120.400 -0.208 0.000 2.249 366 D HA -0.025 4.615 4.640 0.000 0.000 0.205 366 D C 1.981 178.035 176.300 -0.410 0.000 0.962 366 D CA 0.523 54.365 54.000 -0.263 0.000 0.860 366 D CB 0.587 41.301 40.800 -0.143 0.000 0.955 366 D HN 0.241 nan 8.370 nan 0.000 0.505 367 V N 0.031 119.619 119.914 -0.542 0.000 3.029 367 V HA 0.029 4.149 4.120 0.000 0.000 0.230 367 V C 1.911 177.692 176.094 -0.522 0.000 1.254 367 V CA 0.019 61.963 62.300 -0.593 0.000 1.276 367 V CB -0.056 31.306 31.823 -0.769 0.000 1.080 367 V HN 0.033 nan 8.190 nan 0.000 0.495 368 L N 0.493 121.223 121.223 -0.821 0.000 2.017 368 L HA -0.053 4.287 4.340 0.000 0.000 0.208 368 L C 2.518 179.197 176.870 -0.319 0.000 1.073 368 L CA 2.067 56.523 54.840 -0.640 0.000 0.745 368 L CB -0.736 40.697 42.059 -1.042 0.000 0.894 368 L HN 0.105 nan 8.230 nan 0.000 0.432 369 R N -0.008 120.265 120.500 -0.377 0.000 2.082 369 R HA -0.103 4.237 4.340 0.000 0.000 0.234 369 R C 0.074 176.352 176.300 -0.038 0.000 1.136 369 R CA 2.107 58.087 56.100 -0.200 0.000 0.935 369 R CB -2.162 27.976 30.300 -0.271 0.000 0.842 369 R HN 0.345 nan 8.270 nan 0.000 0.430 370 P HA -0.133 nan 4.420 nan 0.000 0.216 370 P C 1.271 178.604 177.300 0.054 0.000 1.150 370 P CA 0.962 64.032 63.100 -0.051 0.000 0.837 370 P CB -0.238 31.392 31.700 -0.116 0.000 0.786 371 F N -0.808 119.100 119.950 -0.070 0.000 2.113 371 F HA -0.142 4.385 4.527 0.000 0.000 0.297 371 F C 2.038 177.987 175.800 0.247 0.000 1.103 371 F CA 1.345 59.361 58.000 0.028 0.000 1.248 371 F CB -0.974 38.007 39.000 -0.031 0.000 0.999 371 F HN -0.228 nan 8.300 nan 0.000 0.475 372 F N 1.161 121.110 119.950 -0.001 0.000 2.146 372 F HA -0.140 4.387 4.527 0.000 0.000 0.298 372 F C 2.341 178.184 175.800 0.071 0.000 1.096 372 F CA 1.680 59.678 58.000 -0.004 0.000 1.275 372 F CB -1.089 37.968 39.000 0.095 0.000 1.008 372 F HN -0.035 nan 8.300 nan 0.000 0.480 373 D N -0.401 120.157 120.400 0.263 0.000 2.123 373 D HA -0.233 4.407 4.640 0.000 0.000 0.196 373 D C 2.223 178.500 176.300 -0.037 0.000 0.992 373 D CA 1.266 55.347 54.000 0.135 0.000 0.833 373 D CB -0.534 40.317 40.800 0.084 0.000 0.954 373 D HN 0.369 nan 8.370 nan 0.000 0.455 374 Q N -0.773 118.947 119.800 -0.132 0.000 2.112 374 Q HA -0.217 4.123 4.340 0.000 0.000 0.206 374 Q C 1.192 176.918 176.000 -0.457 0.000 0.987 374 Q CA 1.431 57.029 55.803 -0.342 0.000 0.858 374 Q CB -0.126 28.303 28.738 -0.515 0.000 0.905 374 Q HN 0.400 nan 8.270 nan 0.000 0.420 375 Y N -0.951 119.235 120.300 -0.191 0.000 2.462 375 Y HA 0.211 4.761 4.550 0.000 0.000 0.261 375 Y C 1.218 176.997 175.900 -0.203 0.000 1.146 375 Y CA 0.160 58.128 58.100 -0.221 0.000 1.283 375 Y CB 0.731 38.988 38.460 -0.338 0.000 1.090 375 Y HN 0.085 nan 8.280 nan 0.000 0.526 376 L N -2.080 119.112 121.223 -0.052 0.000 2.730 376 L HA 0.234 4.574 4.340 0.000 0.000 0.236 376 L C -0.039 176.764 176.870 -0.112 0.000 1.061 376 L CA 0.052 54.846 54.840 -0.077 0.000 0.898 376 L CB 0.464 42.504 42.059 -0.032 0.000 1.270 376 L HN -0.305 nan 8.230 nan 0.000 0.500 377 V N 1.340 121.189 119.914 -0.108 0.000 2.432 377 V HA 0.152 4.272 4.120 0.000 0.000 0.275 377 V C -0.542 175.486 176.094 -0.109 0.000 1.043 377 V CA -0.722 61.492 62.300 -0.144 0.000 0.925 377 V CB 1.196 32.939 31.823 -0.134 0.000 0.985 377 V HN 0.081 nan 8.190 nan 0.000 0.466 378 D N 3.952 124.289 120.400 -0.105 0.000 2.450 378 D HA 0.364 5.004 4.640 0.000 0.000 0.247 378 D C 1.227 177.483 176.300 -0.073 0.000 1.162 378 D CA 1.590 55.541 54.000 -0.082 0.000 0.879 378 D CB 0.979 41.734 40.800 -0.075 0.000 1.163 378 D HN 0.951 nan 8.370 nan 0.000 0.472 379 G N 1.394 110.154 108.800 -0.067 0.000 2.184 379 G HA2 -0.209 3.751 3.960 0.000 0.000 0.264 379 G HA3 -0.209 3.751 3.960 0.000 0.000 0.264 379 G C 0.531 175.393 174.900 -0.063 0.000 0.975 379 G CA 0.268 45.332 45.100 -0.059 0.000 0.642 379 G HN 0.852 nan 8.290 nan 0.000 0.536 380 A N 1.069 123.844 122.820 -0.075 0.000 2.425 380 A HA 0.687 5.007 4.320 0.000 0.000 0.249 380 A C -0.638 176.892 177.584 -0.089 0.000 1.084 380 A CA -0.305 51.686 52.037 -0.076 0.000 0.781 380 A CB 0.347 19.300 19.000 -0.079 0.000 1.019 380 A HN 0.358 nan 8.150 nan 0.000 0.490 381 P HA 0.257 nan 4.420 nan 0.000 0.276 381 P C -0.642 176.592 177.300 -0.109 0.000 1.252 381 P CA -0.475 62.577 63.100 -0.081 0.000 0.802 381 P CB 0.608 32.272 31.700 -0.060 0.000 1.035 382 K N 0.072 120.408 120.400 -0.106 0.000 2.295 382 K HA 0.467 4.787 4.320 0.000 0.000 0.270 382 K C 0.214 176.766 176.600 -0.079 0.000 1.011 382 K CA -0.304 55.909 56.287 -0.124 0.000 0.953 382 K CB 0.526 32.973 32.500 -0.088 0.000 0.956 382 K HN 0.550 nan 8.250 nan 0.000 0.477 383 A N 1.519 124.299 122.820 -0.066 0.000 2.306 383 A HA 0.141 4.461 4.320 0.000 0.000 0.330 383 A C -0.423 177.159 177.584 -0.004 0.000 1.146 383 A CA -0.517 51.498 52.037 -0.037 0.000 0.827 383 A CB 0.815 19.801 19.000 -0.024 0.000 1.178 383 A HN 0.723 nan 8.150 nan 0.000 0.490 384 D N 1.567 121.955 120.400 -0.019 0.000 2.845 384 D HA 0.193 4.833 4.640 0.000 0.000 0.235 384 D C -0.115 176.180 176.300 -0.010 0.000 1.158 384 D CA 0.213 54.215 54.000 0.003 0.000 0.990 384 D CB -0.593 40.202 40.800 -0.008 0.000 1.094 384 D HN 0.341 nan 8.370 nan 0.000 0.486 385 T N 3.512 118.072 114.554 0.011 0.000 2.853 385 T HA 0.177 4.527 4.350 0.000 0.000 0.298 385 T C -2.172 172.582 174.700 0.089 0.000 0.978 385 T CA -1.005 61.059 62.100 -0.060 0.000 1.152 385 T CB 1.002 69.736 68.868 -0.224 0.000 0.914 385 T HN 0.282 nan 8.240 nan 0.000 0.539 386 P HA 0.220 nan 4.420 nan 0.000 0.276 386 P C -2.217 175.250 177.300 0.280 0.000 1.243 386 P CA -1.775 61.401 63.100 0.127 0.000 0.768 386 P CB 0.796 32.546 31.700 0.083 0.000 0.856 387 P HA -0.126 nan 4.420 nan 0.000 0.216 387 P C 0.109 177.532 177.300 0.205 0.000 1.150 387 P CA 1.388 64.587 63.100 0.166 0.000 0.843 387 P CB 0.219 31.962 31.700 0.070 0.000 0.787 388 V N -0.854 119.169 119.914 0.181 0.000 2.686 388 V HA 0.387 4.507 4.120 0.000 0.000 0.306 388 V C -1.144 175.061 176.094 0.184 0.000 1.065 388 V CA -0.601 61.766 62.300 0.112 0.000 0.894 388 V CB 2.278 34.155 31.823 0.091 0.000 1.004 388 V HN -0.190 nan 8.190 nan 0.000 0.424 389 F N 6.476 126.388 119.950 -0.065 0.000 2.513 389 F HA 0.730 5.257 4.527 0.000 0.000 0.358 389 F C -0.765 175.052 175.800 0.028 0.000 1.118 389 F CA -0.995 56.976 58.000 -0.048 0.000 1.037 389 F CB 1.072 39.971 39.000 -0.167 0.000 1.276 389 F HN 0.435 nan 8.300 nan 0.000 0.446 390 I N 6.010 126.520 120.570 -0.099 0.000 2.533 390 I HA 0.350 4.520 4.170 0.000 0.000 0.290 390 I C -1.728 174.215 176.117 -0.290 0.000 1.056 390 I CA -0.892 60.246 61.300 -0.270 0.000 1.057 390 I CB 1.475 39.100 38.000 -0.626 0.000 1.240 390 I HN 0.503 nan 8.210 nan 0.000 0.423 391 Y N 7.269 127.105 120.300 -0.774 0.000 2.319 391 Y HA 0.294 4.844 4.550 0.000 0.000 0.328 391 Y C 0.186 175.648 175.900 -0.730 0.000 1.133 391 Y CA 0.018 57.495 58.100 -1.038 0.000 1.265 391 Y CB 0.728 38.214 38.460 -1.623 0.000 1.218 391 Y HN 0.522 nan 8.280 nan 0.000 0.508 392 N N 3.336 121.448 118.700 -0.979 0.000 2.437 392 N HA 0.015 4.755 4.740 0.000 0.000 0.243 392 N C 0.503 175.605 175.510 -0.682 0.000 1.041 392 N CA 0.271 52.878 53.050 -0.738 0.000 0.940 392 N CB 1.106 39.104 38.487 -0.816 0.000 1.133 392 N HN 0.877 nan 8.380 nan 0.000 0.506 393 T N -0.178 114.180 114.554 -0.326 0.000 3.113 393 T HA 0.046 4.396 4.350 0.000 0.000 0.263 393 T C 1.491 176.114 174.700 -0.128 0.000 1.143 393 T CA 0.719 62.808 62.100 -0.018 0.000 1.090 393 T CB 0.095 69.032 68.868 0.116 0.000 0.922 393 T HN 0.418 nan 8.240 nan 0.000 0.521 394 G N 1.125 109.553 108.800 -0.620 0.000 2.608 394 G HA2 0.133 4.093 3.960 0.000 0.000 0.210 394 G HA3 0.133 4.093 3.960 0.000 0.000 0.210 394 G C 1.352 175.963 174.900 -0.483 0.000 1.139 394 G CA -0.173 44.427 45.100 -0.833 0.000 0.812 394 G HN 0.567 nan 8.290 nan 0.000 0.529 395 E N 0.369 120.280 120.200 -0.483 0.000 2.476 395 E HA 0.087 4.437 4.350 0.000 0.000 0.199 395 E C 0.058 176.464 176.600 -0.323 0.000 1.021 395 E CA -0.406 55.782 56.400 -0.354 0.000 0.907 395 E CB 0.293 29.780 29.700 -0.355 0.000 0.974 395 E HN 0.138 nan 8.360 nan 0.000 0.489 396 N N 1.989 120.429 118.700 -0.433 0.000 2.708 396 N HA -0.154 4.587 4.740 0.000 0.000 0.255 396 N C -1.387 173.865 175.510 -0.430 0.000 1.046 396 N CA 1.421 54.292 53.050 -0.299 0.000 0.715 396 N CB -1.321 37.197 38.487 0.051 0.000 0.895 396 N HN 0.511 nan 8.380 nan 0.000 0.545 397 H N -3.604 114.881 119.070 -0.974 0.000 3.037 397 H HA 0.526 5.082 4.556 0.000 0.000 0.336 397 H C -1.015 173.751 175.328 -0.938 0.000 1.323 397 H CA -0.893 54.732 56.048 -0.705 0.000 1.159 397 H CB 0.038 29.637 29.762 -0.272 0.000 1.882 397 H HN 0.094 nan 8.280 nan 0.000 0.535 398 W N 1.016 122.172 121.300 -0.239 0.000 2.184 398 W HA 0.410 5.070 4.660 0.000 0.000 0.338 398 W C -0.426 176.050 176.519 -0.071 0.000 1.257 398 W CA 0.274 57.452 57.345 -0.278 0.000 1.243 398 W CB 0.892 30.215 29.460 -0.228 0.000 1.122 398 W HN 0.503 nan 8.180 nan 0.000 0.585 399 D N 1.528 122.024 120.400 0.160 0.000 2.505 399 D HA 0.327 4.967 4.640 0.000 0.000 0.249 399 D C -0.694 175.731 176.300 0.208 0.000 1.082 399 D CA -0.775 53.321 54.000 0.160 0.000 0.839 399 D CB 1.478 42.323 40.800 0.076 0.000 1.317 399 D HN 0.148 nan 8.370 nan 0.000 0.497 400 R N 2.118 122.752 120.500 0.224 0.000 2.288 400 R HA 0.575 4.915 4.340 0.000 0.000 0.326 400 R C -0.474 175.928 176.300 0.171 0.000 0.959 400 R CA -0.459 55.785 56.100 0.240 0.000 0.834 400 R CB 1.134 31.559 30.300 0.209 0.000 1.157 400 R HN 0.264 nan 8.270 nan 0.000 0.470 401 L N 1.724 123.051 121.223 0.173 0.000 2.309 401 L HA 0.479 4.819 4.340 0.000 0.000 0.261 401 L C 0.845 177.805 176.870 0.151 0.000 1.021 401 L CA -0.902 54.033 54.840 0.160 0.000 0.823 401 L CB 2.099 44.280 42.059 0.203 0.000 1.366 401 L HN 0.446 nan 8.230 nan 0.000 0.423 402 K N 0.368 120.846 120.400 0.131 0.000 2.356 402 K HA 0.424 4.745 4.320 0.000 0.000 0.195 402 K C 0.030 176.711 176.600 0.134 0.000 1.037 402 K CA 0.312 56.667 56.287 0.114 0.000 1.014 402 K CB 0.782 33.332 32.500 0.083 0.000 0.815 402 K HN 0.629 nan 8.250 nan 0.000 0.507 403 A N 0.430 123.351 122.820 0.168 0.000 2.609 403 A HA 0.588 4.908 4.320 0.000 0.000 0.291 403 A C -2.205 175.558 177.584 0.299 0.000 1.096 403 A CA -0.686 51.475 52.037 0.207 0.000 0.684 403 A CB 1.350 20.421 19.000 0.118 0.000 1.282 403 A HN 0.241 nan 8.150 nan 0.000 0.412 404 W N 2.384 123.741 121.300 0.094 0.000 3.479 404 W HA 0.516 5.176 4.660 0.000 0.000 0.304 404 W C -2.926 173.641 176.519 0.080 0.000 1.243 404 W CA -1.223 56.147 57.345 0.041 0.000 1.202 404 W CB 1.696 31.129 29.460 -0.045 0.000 1.346 404 W HN 0.758 nan 8.180 nan 0.000 0.539 405 P HA 0.367 nan 4.420 nan 0.000 0.276 405 P C 0.395 177.234 177.300 -0.769 0.000 1.261 405 P CA -0.024 62.241 63.100 -1.392 0.000 0.800 405 P CB 1.418 32.547 31.700 -0.951 0.000 1.066 406 R N -0.579 119.386 120.500 -0.891 0.000 2.210 406 R HA 0.156 4.496 4.340 0.000 0.000 0.203 406 R C 0.870 176.988 176.300 -0.302 0.000 1.010 406 R CA 0.540 56.391 56.100 -0.416 0.000 1.008 406 R CB 0.060 30.171 30.300 -0.314 0.000 0.923 406 R HN 0.427 nan 8.270 nan 0.000 0.469 407 S N -0.021 115.467 115.700 -0.354 0.000 2.547 407 S HA 0.553 5.023 4.470 0.000 0.000 0.281 407 S C -0.834 173.647 174.600 -0.198 0.000 1.118 407 S CA -0.835 57.236 58.200 -0.215 0.000 0.947 407 S CB 1.152 64.256 63.200 -0.159 0.000 1.053 407 S HN 0.372 nan 8.310 nan 0.000 0.482 408 c N 2.185 120.707 118.600 -0.130 0.000 3.284 408 c HA 0.615 5.185 4.570 0.000 0.000 0.348 408 c C 0.937 174.997 174.090 -0.050 0.000 1.448 408 c CA -0.620 55.654 56.329 -0.092 0.000 1.223 408 c CB 0.219 42.666 42.510 -0.105 0.000 1.588 408 c HN 0.677 nan 8.230 nan 0.000 0.451 409 D N 0.896 121.282 120.400 -0.022 0.000 2.149 409 D HA 0.015 4.655 4.640 0.000 0.000 0.198 409 D C 0.378 176.670 176.300 -0.014 0.000 0.990 409 D CA 1.910 55.908 54.000 -0.003 0.000 0.839 409 D CB 0.074 40.890 40.800 0.027 0.000 0.948 409 D HN 0.693 nan 8.370 nan 0.000 0.460 410 K N -2.343 118.045 120.400 -0.021 0.000 2.569 410 K HA 0.417 4.738 4.320 0.000 0.000 0.259 410 K C -0.092 176.491 176.600 -0.029 0.000 0.932 410 K CA 0.103 56.377 56.287 -0.022 0.000 0.833 410 K CB 1.564 34.058 32.500 -0.010 0.000 1.340 410 K HN 0.043 nan 8.250 nan 0.000 0.429 411 G N 1.341 110.123 108.800 -0.031 0.000 2.179 411 G HA2 -0.207 3.753 3.960 0.000 0.000 0.220 411 G HA3 -0.207 3.753 3.960 0.000 0.000 0.220 411 G C -0.077 174.796 174.900 -0.045 0.000 0.990 411 G CA 0.048 45.129 45.100 -0.032 0.000 0.646 411 G HN 0.666 nan 8.290 nan 0.000 0.517 412 c N -0.162 118.403 118.600 -0.059 0.000 2.423 412 c HA 0.828 5.398 4.570 0.000 0.000 0.378 412 c C 2.329 176.379 174.090 -0.068 0.000 1.244 412 c CA 0.254 56.536 56.329 -0.079 0.000 1.978 412 c CB 1.177 43.614 42.510 -0.123 0.000 2.252 412 c HN 0.893 nan 8.230 nan 0.000 0.526 413 A N 0.461 123.237 122.820 -0.073 0.000 1.933 413 A HA 0.323 4.643 4.320 0.000 0.000 0.218 413 A C 1.021 178.569 177.584 -0.061 0.000 1.175 413 A CA 2.021 54.024 52.037 -0.057 0.000 0.628 413 A CB -0.399 18.570 19.000 -0.052 0.000 0.814 413 A HN 1.181 nan 8.150 nan 0.000 0.444 414 A N -1.922 120.850 122.820 -0.080 0.000 2.384 414 A HA 0.662 4.982 4.320 0.000 0.000 0.312 414 A C -0.238 177.300 177.584 -0.077 0.000 1.113 414 A CA -0.306 51.685 52.037 -0.076 0.000 0.779 414 A CB 0.960 19.910 19.000 -0.083 0.000 1.307 414 A HN 0.116 nan 8.150 nan 0.000 0.436 415 T N 1.328 115.842 114.554 -0.066 0.000 2.855 415 T HA 0.492 4.843 4.350 0.000 0.000 0.281 415 T C 0.375 175.045 174.700 -0.051 0.000 1.007 415 T CA -0.181 61.885 62.100 -0.056 0.000 1.009 415 T CB 1.250 70.090 68.868 -0.047 0.000 0.983 415 T HN 0.643 nan 8.240 nan 0.000 0.455 416 S N 2.555 118.233 115.700 -0.036 0.000 2.566 416 S HA 0.176 4.646 4.470 0.000 0.000 0.280 416 S C 0.132 174.727 174.600 -0.008 0.000 1.343 416 S CA -0.146 58.047 58.200 -0.012 0.000 1.036 416 S CB 0.231 63.438 63.200 0.011 0.000 0.866 416 S HN 0.452 nan 8.310 nan 0.000 0.526 417 K N 2.291 122.707 120.400 0.028 0.000 2.426 417 K HA 0.367 4.687 4.320 0.000 0.000 0.254 417 K C -2.934 173.728 176.600 0.103 0.000 0.936 417 K CA -2.157 54.158 56.287 0.047 0.000 0.801 417 K CB 1.736 34.238 32.500 0.004 0.000 1.139 417 K HN 0.263 nan 8.250 nan 0.000 0.424 418 P HA 0.006 nan 4.420 nan 0.000 0.267 418 P C -0.991 176.111 177.300 -0.330 0.000 1.209 418 P CA -0.448 62.446 63.100 -0.345 0.000 0.763 418 P CB 0.415 31.507 31.700 -1.012 0.000 0.816 419 L N 6.139 127.175 121.223 -0.312 0.000 2.283 419 L HA 0.370 4.710 4.340 0.000 0.000 0.281 419 L C -1.092 175.578 176.870 -0.334 0.000 1.033 419 L CA -0.717 53.848 54.840 -0.459 0.000 0.848 419 L CB -0.450 41.321 42.059 -0.479 0.000 1.226 419 L HN 0.210 nan 8.230 nan 0.000 0.429 420 Y N 4.638 124.848 120.300 -0.151 0.000 2.377 420 Y HA 0.321 4.871 4.550 0.000 0.000 0.330 420 Y C 0.147 175.953 175.900 -0.158 0.000 1.108 420 Y CA -0.352 57.694 58.100 -0.091 0.000 1.308 420 Y CB 0.642 39.052 38.460 -0.084 0.000 1.216 420 Y HN 0.389 nan 8.280 nan 0.000 0.518 421 L N 4.539 125.714 121.223 -0.080 0.000 2.426 421 L HA 0.166 4.506 4.340 0.000 0.000 0.271 421 L C -0.023 176.771 176.870 -0.127 0.000 1.169 421 L CA 0.037 54.653 54.840 -0.373 0.000 0.836 421 L CB 0.288 41.825 42.059 -0.870 0.000 1.112 421 L HN 0.578 nan 8.230 nan 0.000 0.465 422 Q N 1.716 121.531 119.800 0.025 0.000 2.433 422 Q HA 0.680 5.021 4.340 0.000 0.000 0.279 422 Q C -0.602 175.543 176.000 0.242 0.000 1.105 422 Q CA -0.998 54.878 55.803 0.121 0.000 0.815 422 Q CB 1.946 30.737 28.738 0.090 0.000 1.403 422 Q HN 0.683 nan 8.270 nan 0.000 0.435 423 A N -0.151 122.751 122.820 0.136 0.000 2.445 423 A HA 0.478 4.799 4.320 0.000 0.000 0.242 423 A C 1.058 178.689 177.584 0.078 0.000 1.075 423 A CA 0.979 53.079 52.037 0.104 0.000 0.777 423 A CB -0.474 18.538 19.000 0.021 0.000 1.013 423 A HN 1.109 nan 8.150 nan 0.000 0.493 424 G N 0.058 108.880 108.800 0.036 0.000 2.136 424 G HA2 0.198 4.158 3.960 0.000 0.000 0.242 424 G HA3 0.198 4.158 3.960 0.000 0.000 0.242 424 G C 1.544 176.435 174.900 -0.015 0.000 0.989 424 G CA 0.847 45.946 45.100 -0.001 0.000 0.682 424 G HN 2.839 nan 8.290 nan 0.000 0.522 425 G N -1.093 107.690 108.800 -0.028 0.000 2.221 425 G HA2 -0.241 3.719 3.960 0.000 0.000 0.265 425 G HA3 -0.241 3.719 3.960 0.000 0.000 0.265 425 G C 0.267 175.208 174.900 0.069 0.000 1.041 425 G CA 1.402 46.414 45.100 -0.146 0.000 0.807 425 G HN 0.968 nan 8.290 nan 0.000 0.502 426 K N -1.380 119.139 120.400 0.198 0.000 2.210 426 K HA 0.887 5.207 4.320 0.000 0.000 0.236 426 K C -0.529 176.187 176.600 0.194 0.000 1.016 426 K CA -1.052 55.325 56.287 0.151 0.000 0.913 426 K CB 1.638 34.190 32.500 0.086 0.000 1.141 426 K HN 0.224 nan 8.250 nan 0.000 0.462 427 L N 0.489 121.762 121.223 0.084 0.000 2.565 427 L HA 0.399 4.739 4.340 0.000 0.000 0.261 427 L C -1.557 175.276 176.870 -0.062 0.000 0.932 427 L CA 0.198 55.043 54.840 0.008 0.000 0.878 427 L CB 1.934 43.993 42.059 -0.000 0.000 1.333 427 L HN 0.849 nan 8.230 nan 0.000 0.409 428 S N 2.362 118.001 115.700 -0.102 0.000 2.611 428 S HA 0.525 4.995 4.470 0.000 0.000 0.268 428 S C -0.143 174.374 174.600 -0.138 0.000 1.156 428 S CA -0.589 57.540 58.200 -0.117 0.000 0.817 428 S CB 0.533 63.742 63.200 0.015 0.000 1.122 428 S HN 0.316 nan 8.310 nan 0.000 0.466 429 F N 0.712 120.711 119.950 0.081 0.000 2.797 429 F HA 0.373 4.900 4.527 0.000 0.000 0.302 429 F C 1.040 176.952 175.800 0.187 0.000 1.130 429 F CA -0.016 58.050 58.000 0.111 0.000 1.387 429 F CB 0.026 39.044 39.000 0.031 0.000 1.107 429 F HN 0.414 nan 8.300 nan 0.000 0.577 430 Q N 1.010 120.953 119.800 0.238 0.000 2.256 430 Q HA 0.295 4.635 4.340 0.000 0.000 0.254 430 Q C -2.308 173.574 176.000 -0.196 0.000 0.916 430 Q CA -2.193 53.647 55.803 0.061 0.000 0.932 430 Q CB 0.678 29.427 28.738 0.018 0.000 1.207 430 Q HN -0.101 nan 8.270 nan 0.000 0.426 431 P HA 0.037 nan 4.420 nan 0.000 0.268 431 P C -2.431 174.555 177.300 -0.524 0.000 1.208 431 P CA -0.940 61.522 63.100 -1.063 0.000 0.777 431 P CB -0.098 31.193 31.700 -0.681 0.000 0.875 432 P HA -0.010 nan 4.420 nan 0.000 0.266 432 P C -0.513 176.701 177.300 -0.144 0.000 1.195 432 P CA 0.118 63.096 63.100 -0.202 0.000 0.768 432 P CB 0.153 31.778 31.700 -0.125 0.000 0.838 433 V N -0.026 119.834 119.914 -0.090 0.000 2.834 433 V HA 0.822 4.942 4.120 0.000 0.000 0.313 433 V C 0.152 176.220 176.094 -0.043 0.000 1.060 433 V CA -1.208 61.053 62.300 -0.065 0.000 0.989 433 V CB 1.075 32.867 31.823 -0.050 0.000 1.041 433 V HN 0.643 nan 8.190 nan 0.000 0.459 434 A N 2.195 124.994 122.820 -0.034 0.000 2.346 434 A HA 0.680 5.000 4.320 0.000 0.000 0.252 434 A C 1.461 179.033 177.584 -0.020 0.000 1.089 434 A CA 0.396 52.420 52.037 -0.022 0.000 0.797 434 A CB -0.075 18.915 19.000 -0.017 0.000 1.047 434 A HN 2.778 nan 8.150 nan 0.000 0.494 435 G N -1.018 107.772 108.800 -0.016 0.000 2.254 435 G HA2 -0.186 3.774 3.960 0.000 0.000 0.225 435 G HA3 -0.186 3.774 3.960 0.000 0.000 0.225 435 G C 0.320 175.205 174.900 -0.025 0.000 1.003 435 G CA 0.460 45.549 45.100 -0.018 0.000 0.622 435 G HN 0.897 nan 8.290 nan 0.000 0.507 436 Q N 0.414 120.197 119.800 -0.028 0.000 2.185 436 Q HA 0.704 5.044 4.340 0.000 0.000 0.225 436 Q C 0.618 176.580 176.000 -0.062 0.000 0.983 436 Q CA -0.291 55.488 55.803 -0.039 0.000 0.950 436 Q CB 1.177 29.897 28.738 -0.030 0.000 1.176 436 Q HN 0.791 nan 8.270 nan 0.000 0.510 437 A N 0.125 122.884 122.820 -0.100 0.000 2.498 437 A HA 0.269 4.589 4.320 0.000 0.000 0.239 437 A C 1.076 178.554 177.584 -0.177 0.000 1.068 437 A CA 0.478 52.398 52.037 -0.196 0.000 0.766 437 A CB -0.117 18.723 19.000 -0.266 0.000 1.003 437 A HN 0.891 nan 8.150 nan 0.000 0.497 438 G N 0.674 109.341 108.800 -0.220 0.000 2.650 438 G HA2 0.358 4.318 3.960 0.000 0.000 0.214 438 G HA3 0.358 4.318 3.960 0.000 0.000 0.214 438 G C 0.151 175.055 174.900 0.006 0.000 1.136 438 G CA 1.025 46.120 45.100 -0.008 0.000 0.789 438 G HN 1.082 nan 8.290 nan 0.000 0.536 439 F N -2.524 117.317 119.950 -0.181 0.000 2.741 439 F HA 0.694 5.221 4.527 0.000 0.000 0.313 439 F C -1.201 174.533 175.800 -0.111 0.000 1.153 439 F CA -1.909 55.907 58.000 -0.305 0.000 0.931 439 F CB 1.013 39.471 39.000 -0.904 0.000 1.335 439 F HN -0.214 nan 8.300 nan 0.000 0.460 440 E N 1.054 121.409 120.200 0.258 0.000 2.199 440 E HA 0.337 4.687 4.350 0.000 0.000 0.269 440 E C -1.503 175.319 176.600 0.370 0.000 0.899 440 E CA -0.743 55.807 56.400 0.250 0.000 0.772 440 E CB 2.863 32.722 29.700 0.265 0.000 1.155 440 E HN 0.743 nan 8.360 nan 0.000 0.408 441 E N 2.604 123.001 120.200 0.328 0.000 2.256 441 E HA 0.447 4.797 4.350 0.000 0.000 0.267 441 E C -1.671 175.120 176.600 0.319 0.000 0.892 441 E CA -0.713 55.864 56.400 0.296 0.000 0.775 441 E CB 1.304 31.175 29.700 0.285 0.000 1.207 441 E HN 0.480 nan 8.360 nan 0.000 0.420 442 Y N -0.472 119.897 120.300 0.114 0.000 2.592 442 Y HA 0.530 5.080 4.550 0.000 0.000 0.334 442 Y C -1.920 174.025 175.900 0.076 0.000 1.136 442 Y CA -1.199 56.951 58.100 0.083 0.000 1.042 442 Y CB 0.684 39.192 38.460 0.079 0.000 1.325 442 Y HN 0.160 nan 8.280 nan 0.000 0.457 443 V N 2.692 122.682 119.914 0.127 0.000 2.439 443 V HA 0.515 4.635 4.120 0.000 0.000 0.282 443 V C -0.161 175.994 176.094 0.103 0.000 1.039 443 V CA -0.397 61.920 62.300 0.029 0.000 0.913 443 V CB 1.431 33.280 31.823 0.043 0.000 0.983 443 V HN 0.831 nan 8.190 nan 0.000 0.460 444 S N 3.308 119.016 115.700 0.013 0.000 2.438 444 S HA 0.367 4.837 4.470 0.000 0.000 0.316 444 S C -0.799 173.811 174.600 0.016 0.000 1.084 444 S CA -0.625 57.609 58.200 0.058 0.000 1.107 444 S CB 0.706 63.905 63.200 -0.001 0.000 0.981 444 S HN 0.829 nan 8.310 nan 0.000 0.466 445 D N 5.353 125.770 120.400 0.028 0.000 2.414 445 D HA 0.462 5.102 4.640 0.000 0.000 0.232 445 D C -1.851 174.436 176.300 -0.021 0.000 1.070 445 D CA -2.277 51.728 54.000 0.008 0.000 0.839 445 D CB 1.919 42.728 40.800 0.017 0.000 1.079 445 D HN 0.214 nan 8.370 nan 0.000 0.521 446 P HA -0.043 nan 4.420 nan 0.000 0.222 446 P C 0.855 178.042 177.300 -0.188 0.000 1.147 446 P CA 0.799 63.857 63.100 -0.071 0.000 0.790 446 P CB 0.287 32.046 31.700 0.098 0.000 0.780 447 A N -0.699 122.048 122.820 -0.122 0.000 2.119 447 A HA -0.052 4.268 4.320 0.000 0.000 0.217 447 A C 1.237 178.753 177.584 -0.112 0.000 1.153 447 A CA 1.093 53.046 52.037 -0.140 0.000 0.692 447 A CB -0.440 18.518 19.000 -0.069 0.000 0.799 447 A HN 0.113 nan 8.150 nan 0.000 0.458 448 K N 0.656 121.014 120.400 -0.071 0.000 2.954 448 K HA 0.241 4.562 4.320 0.000 0.000 0.171 448 K C -3.024 173.591 176.600 0.025 0.000 1.079 448 K CA -1.618 54.679 56.287 0.017 0.000 0.908 448 K CB 1.562 34.088 32.500 0.044 0.000 1.142 448 K HN 0.252 nan 8.250 nan 0.000 0.613 449 P HA 0.080 nan 4.420 nan 0.000 0.274 449 P C 0.094 177.515 177.300 0.201 0.000 1.237 449 P CA -0.411 62.662 63.100 -0.046 0.000 0.793 449 P CB 1.009 32.467 31.700 -0.404 0.000 0.977 450 V N 3.854 123.880 119.914 0.186 0.000 2.508 450 V HA 0.146 4.267 4.120 0.000 0.000 0.281 450 V C -1.681 174.621 176.094 0.347 0.000 1.041 450 V CA -1.378 61.045 62.300 0.205 0.000 1.016 450 V CB 0.255 32.145 31.823 0.112 0.000 0.984 450 V HN 0.598 nan 8.190 nan 0.000 0.478 451 P HA 0.089 nan 4.420 nan 0.000 0.276 451 P C 0.352 177.905 177.300 0.420 0.000 1.230 451 P CA -0.222 63.145 63.100 0.445 0.000 0.776 451 P CB 0.664 32.523 31.700 0.265 0.000 0.888 452 F N 3.250 123.319 119.950 0.197 0.000 2.512 452 F HA 0.178 4.705 4.527 0.000 0.000 0.296 452 F C 0.209 176.137 175.800 0.213 0.000 1.110 452 F CA -0.071 58.006 58.000 0.128 0.000 1.446 452 F CB -0.447 38.412 39.000 -0.235 0.000 1.092 452 F HN 0.126 nan 8.300 nan 0.000 0.554 453 V N -4.427 115.107 119.914 -0.633 0.000 3.147 453 V HA 0.623 4.743 4.120 0.000 0.000 0.306 453 V C -3.012 172.605 176.094 -0.794 0.000 1.209 453 V CA -2.985 58.753 62.300 -0.937 0.000 1.023 453 V CB 1.190 32.368 31.823 -1.075 0.000 1.059 453 V HN -0.256 nan 8.190 nan 0.000 0.435 454 P HA 0.241 nan 4.420 nan 0.000 0.265 454 P C -0.451 176.637 177.300 -0.354 0.000 1.193 454 P CA 0.170 62.903 63.100 -0.611 0.000 0.765 454 P CB 0.274 31.620 31.700 -0.590 0.000 0.823 455 R N 3.841 124.199 120.500 -0.237 0.000 2.539 455 R HA 0.305 4.645 4.340 0.000 0.000 0.275 455 R C -1.631 174.579 176.300 -0.149 0.000 1.077 455 R CA -1.275 54.697 56.100 -0.213 0.000 1.097 455 R CB -0.398 29.746 30.300 -0.260 0.000 1.018 455 R HN 0.474 nan 8.270 nan 0.000 0.483 456 P HA 0.121 nan 4.420 nan 0.000 0.278 456 P C -0.842 176.336 177.300 -0.203 0.000 1.238 456 P CA -0.384 62.642 63.100 -0.123 0.000 0.794 456 P CB 0.940 32.617 31.700 -0.039 0.000 0.955 457 V N 2.652 122.427 119.914 -0.231 0.000 2.383 457 V HA 0.210 4.330 4.120 0.000 0.000 0.275 457 V C 0.119 175.990 176.094 -0.371 0.000 1.036 457 V CA -0.050 62.061 62.300 -0.315 0.000 0.889 457 V CB 0.910 32.532 31.823 -0.334 0.000 0.985 457 V HN 0.579 nan 8.190 nan 0.000 0.459 458 D N 3.782 123.991 120.400 -0.319 0.000 2.446 458 D HA 0.346 4.986 4.640 0.000 0.000 0.251 458 D C 0.572 176.819 176.300 -0.089 0.000 1.137 458 D CA -0.564 53.277 54.000 -0.265 0.000 0.890 458 D CB 0.918 41.555 40.800 -0.272 0.000 1.071 458 D HN 0.246 nan 8.370 nan 0.000 0.528 459 F N 2.328 122.230 119.950 -0.080 0.000 2.202 459 F HA -0.099 4.428 4.527 0.000 0.000 0.301 459 F C 2.406 178.140 175.800 -0.110 0.000 1.082 459 F CA 1.134 59.056 58.000 -0.131 0.000 1.313 459 F CB -0.724 38.153 39.000 -0.204 0.000 1.024 459 F HN 0.533 nan 8.300 nan 0.000 0.495 460 A N -0.847 122.043 122.820 0.117 0.000 1.930 460 A HA -0.172 4.148 4.320 0.000 0.000 0.217 460 A C 0.962 178.593 177.584 0.079 0.000 1.175 460 A CA 1.010 53.091 52.037 0.073 0.000 0.627 460 A CB -0.818 18.220 19.000 0.063 0.000 0.815 460 A HN 0.212 nan 8.150 nan 0.000 0.443 461 D N 0.071 120.518 120.400 0.080 0.000 2.356 461 D HA 0.021 4.661 4.640 0.000 0.000 0.272 461 D C 1.247 177.631 176.300 0.139 0.000 1.337 461 D CA -0.009 54.043 54.000 0.086 0.000 0.970 461 D CB 0.244 41.079 40.800 0.058 0.000 1.092 461 D HN 0.101 nan 8.370 nan 0.000 0.516 462 R N 3.007 123.582 120.500 0.125 0.000 2.105 462 R HA -0.056 4.284 4.340 0.000 0.000 0.239 462 R C 0.992 177.387 176.300 0.159 0.000 1.135 462 R CA 0.807 57.004 56.100 0.163 0.000 0.967 462 R CB -1.047 29.308 30.300 0.091 0.000 0.861 462 R HN 0.526 nan 8.270 nan 0.000 0.442 466 T N -0.554 114.053 114.554 0.088 0.000 2.962 466 T HA -0.100 4.250 4.350 0.000 0.000 0.270 466 T C 1.306 175.958 174.700 -0.080 0.000 1.088 466 T CA 2.222 64.278 62.100 -0.072 0.000 1.127 466 T CB -0.574 68.303 68.868 0.015 0.000 0.883 466 T HN 0.197 nan 8.240 nan 0.000 0.493 467 T N -2.304 112.246 114.554 -0.006 0.000 3.085 467 T HA 0.159 4.509 4.350 0.000 0.000 0.264 467 T C 1.607 176.308 174.700 0.001 0.000 1.019 467 T CA -0.363 61.707 62.100 -0.050 0.000 0.910 467 T CB -0.632 68.216 68.868 -0.033 0.000 1.059 467 T HN 0.718 nan 8.240 nan 0.000 0.542 468 W N 1.749 123.012 121.300 -0.062 0.000 2.363 468 W HA 0.001 4.661 4.660 0.000 0.000 0.296 468 W C 0.776 177.319 176.519 0.041 0.000 1.212 468 W CA 0.068 57.413 57.345 0.000 0.000 1.260 468 W CB -0.807 28.702 29.460 0.082 0.000 1.131 468 W HN 0.246 nan 8.180 nan 0.000 0.530 469 L N 1.862 122.594 121.223 -0.819 0.000 2.362 469 L HA -0.142 4.198 4.340 0.000 0.000 0.219 469 L C 2.252 178.860 176.870 -0.437 0.000 1.134 469 L CA 1.212 55.541 54.840 -0.851 0.000 0.807 469 L CB -0.414 41.218 42.059 -0.712 0.000 0.927 469 L HN 0.025 nan 8.230 nan 0.000 0.447 470 V N -5.681 113.983 119.914 -0.417 0.000 3.528 470 V HA 0.161 4.281 4.120 0.000 0.000 0.294 470 V C 1.076 177.137 176.094 -0.055 0.000 1.404 470 V CA -0.514 61.542 62.300 -0.407 0.000 1.065 470 V CB -0.650 30.714 31.823 -0.764 0.000 0.904 470 V HN 0.204 nan 8.190 nan 0.000 0.435 471 H N 2.480 121.510 119.070 -0.067 0.000 2.897 471 H HA 0.164 4.720 4.556 0.000 0.000 0.347 471 H C -0.298 174.978 175.328 -0.087 0.000 1.068 471 H CA 0.834 56.864 56.048 -0.031 0.000 1.426 471 H CB 1.188 30.924 29.762 -0.042 0.000 1.410 471 H HN 0.478 nan 8.280 nan 0.000 0.597 472 D N 2.793 122.987 120.400 -0.344 0.000 2.487 472 D HA -0.082 4.558 4.640 0.000 0.000 0.243 472 D C 0.491 176.888 176.300 0.161 0.000 1.154 472 D CA 0.235 53.871 54.000 -0.607 0.000 0.876 472 D CB 0.794 41.021 40.800 -0.955 0.000 1.161 472 D HN 0.477 nan 8.370 nan 0.000 0.478 473 Q N 3.423 123.288 119.800 0.109 0.000 2.322 473 Q HA 0.067 4.407 4.340 0.000 0.000 0.203 473 Q C 1.363 177.378 176.000 0.025 0.000 0.923 473 Q CA 0.070 55.982 55.803 0.182 0.000 0.949 473 Q CB 0.138 28.935 28.738 0.098 0.000 1.039 473 Q HN 0.530 nan 8.270 nan 0.000 0.496 474 R N 0.185 120.721 120.500 0.060 0.000 2.237 474 R HA -0.091 4.249 4.340 0.000 0.000 0.219 474 R C 1.809 178.124 176.300 0.026 0.000 1.080 474 R CA 0.866 56.972 56.100 0.011 0.000 0.995 474 R CB -0.307 29.994 30.300 0.001 0.000 0.875 474 R HN 0.300 nan 8.270 nan 0.000 0.462 475 F N -0.484 119.447 119.950 -0.032 0.000 2.408 475 F HA -0.081 4.446 4.527 0.000 0.000 0.300 475 F C 1.474 177.248 175.800 -0.042 0.000 1.090 475 F CA 0.560 58.534 58.000 -0.043 0.000 1.427 475 F CB -0.313 38.646 39.000 -0.069 0.000 1.070 475 F HN -0.188 nan 8.300 nan 0.000 0.549 476 V N -3.587 115.892 119.914 -0.725 0.000 3.548 476 V HA 0.244 4.364 4.120 0.000 0.000 0.279 476 V C 0.139 176.068 176.094 -0.274 0.000 1.446 476 V CA -0.052 61.924 62.300 -0.540 0.000 1.023 476 V CB -0.558 30.846 31.823 -0.699 0.000 0.820 476 V HN 0.117 nan 8.190 nan 0.000 0.438 477 D N 1.822 122.098 120.400 -0.207 0.000 2.371 477 D HA 0.467 5.107 4.640 0.000 0.000 0.256 477 D C 1.306 177.548 176.300 -0.097 0.000 1.193 477 D CA 1.824 55.749 54.000 -0.124 0.000 0.881 477 D CB 0.735 41.488 40.800 -0.077 0.000 1.143 477 D HN 0.619 nan 8.370 nan 0.000 0.473 478 G N 3.763 112.507 108.800 -0.094 0.000 2.201 478 G HA2 -0.228 3.732 3.960 0.000 0.000 0.212 478 G HA3 -0.228 3.732 3.960 0.000 0.000 0.212 478 G C 0.545 175.404 174.900 -0.068 0.000 0.994 478 G CA -0.325 44.731 45.100 -0.073 0.000 0.644 478 G HN 0.574 nan 8.290 nan 0.000 0.508 479 R N 0.797 121.246 120.500 -0.086 0.000 2.490 479 R HA 0.369 4.709 4.340 0.000 0.000 0.280 479 R C -1.195 175.071 176.300 -0.056 0.000 1.077 479 R CA -1.054 55.007 56.100 -0.066 0.000 1.065 479 R CB 0.918 31.170 30.300 -0.079 0.000 1.003 479 R HN 0.052 nan 8.270 nan 0.000 0.470 480 P HA -0.107 nan 4.420 nan 0.000 0.223 480 P C -0.050 177.271 177.300 0.035 0.000 1.151 480 P CA 1.058 64.162 63.100 0.007 0.000 0.787 480 P CB 0.147 31.866 31.700 0.031 0.000 0.788 481 D N -1.017 119.398 120.400 0.025 0.000 2.395 481 D HA 0.085 4.725 4.640 0.000 0.000 0.226 481 D C -0.179 176.009 176.300 -0.186 0.000 1.146 481 D CA -0.475 53.568 54.000 0.073 0.000 0.830 481 D CB -0.362 40.524 40.800 0.143 0.000 0.958 481 D HN -0.037 nan 8.370 nan 0.000 0.501 482 V N 1.067 120.828 119.914 -0.254 0.000 2.524 482 V HA 0.268 4.388 4.120 0.000 0.000 0.297 482 V C -0.158 175.747 176.094 -0.315 0.000 1.035 482 V CA -0.862 61.253 62.300 -0.309 0.000 0.867 482 V CB 2.088 33.804 31.823 -0.177 0.000 1.004 482 V HN 0.118 nan 8.190 nan 0.000 0.426 483 L N 3.795 124.791 121.223 -0.378 0.000 2.326 483 L HA 0.589 4.929 4.340 0.000 0.000 0.278 483 L C 0.267 176.975 176.870 -0.269 0.000 1.092 483 L CA 0.072 54.725 54.840 -0.311 0.000 0.810 483 L CB 1.540 43.487 42.059 -0.188 0.000 1.153 483 L HN 0.584 nan 8.230 nan 0.000 0.439 484 T N 2.927 117.234 114.554 -0.412 0.000 2.812 484 T HA 0.592 4.942 4.350 0.000 0.000 0.282 484 T C -0.799 173.607 174.700 -0.490 0.000 0.990 484 T CA -0.310 61.622 62.100 -0.280 0.000 0.960 484 T CB 0.748 69.518 68.868 -0.164 0.000 0.948 484 T HN 0.110 nan 8.240 nan 0.000 0.438 485 F N 2.093 122.041 119.950 -0.003 0.000 2.507 485 F HA 0.773 5.301 4.527 0.000 0.000 0.325 485 F C -0.017 175.778 175.800 -0.009 0.000 1.116 485 F CA -0.938 57.059 58.000 -0.004 0.000 0.930 485 F CB 1.873 40.872 39.000 -0.002 0.000 1.146 485 F HN 0.268 nan 8.300 nan 0.000 0.447 486 V N 2.057 122.056 119.914 0.143 0.000 3.012 486 V HA 0.632 4.752 4.120 0.000 0.000 0.307 486 V C -0.531 175.592 176.094 0.049 0.000 1.166 486 V CA -0.494 61.852 62.300 0.076 0.000 0.974 486 V CB 2.543 34.398 31.823 0.053 0.000 1.040 486 V HN 0.910 nan 8.190 nan 0.000 0.428 487 T N 2.024 116.591 114.554 0.020 0.000 2.824 487 T HA 0.584 4.934 4.350 0.000 0.000 0.277 487 T C -0.004 174.714 174.700 0.029 0.000 0.975 487 T CA -0.527 61.579 62.100 0.010 0.000 0.966 487 T CB 1.177 70.031 68.868 -0.022 0.000 1.054 487 T HN 0.678 nan 8.240 nan 0.000 0.533 488 E N 1.254 121.473 120.200 0.031 0.000 2.371 488 E HA 0.329 4.679 4.350 0.000 0.000 0.257 488 E C -2.342 174.287 176.600 0.048 0.000 1.134 488 E CA -2.160 54.262 56.400 0.037 0.000 0.919 488 E CB -0.019 29.702 29.700 0.034 0.000 1.025 488 E HN 0.481 nan 8.360 nan 0.000 0.438 489 P HA -0.001 nan 4.420 nan 0.000 0.265 489 P C -0.339 177.004 177.300 0.071 0.000 1.193 489 P CA 0.396 63.535 63.100 0.065 0.000 0.765 489 P CB 0.296 32.027 31.700 0.052 0.000 0.823 490 L N 2.543 123.823 121.223 0.094 0.000 2.426 490 L HA 0.149 4.489 4.340 0.000 0.000 0.271 490 L C 1.722 178.640 176.870 0.079 0.000 1.169 490 L CA 0.150 55.045 54.840 0.092 0.000 0.836 490 L CB 0.311 42.442 42.059 0.120 0.000 1.112 490 L HN 0.479 nan 8.230 nan 0.000 0.465 491 T N -2.588 112.003 114.554 0.063 0.000 3.014 491 T HA 0.205 4.555 4.350 0.000 0.000 0.250 491 T C 0.503 175.230 174.700 0.045 0.000 1.060 491 T CA -0.096 62.033 62.100 0.049 0.000 1.040 491 T CB 0.363 69.254 68.868 0.038 0.000 0.971 491 T HN 0.434 nan 8.240 nan 0.000 0.497 492 E N 2.044 122.273 120.200 0.049 0.000 2.317 492 E HA 0.436 4.786 4.350 0.000 0.000 0.270 492 E C -2.991 173.639 176.600 0.051 0.000 0.885 492 E CA -2.638 53.785 56.400 0.038 0.000 0.760 492 E CB 2.020 31.734 29.700 0.023 0.000 1.227 492 E HN 0.103 nan 8.360 nan 0.000 0.434 493 P HA 0.111 nan 4.420 nan 0.000 0.268 493 P C -0.511 176.826 177.300 0.062 0.000 1.205 493 P CA -0.435 62.690 63.100 0.041 0.000 0.771 493 P CB 0.564 32.267 31.700 0.004 0.000 0.858 494 L N 3.594 124.892 121.223 0.124 0.000 2.342 494 L HA 0.310 4.650 4.340 0.000 0.000 0.276 494 L C -0.371 176.631 176.870 0.221 0.000 0.997 494 L CA -0.155 54.784 54.840 0.165 0.000 0.838 494 L CB 1.236 43.421 42.059 0.209 0.000 1.224 494 L HN 0.277 nan 8.230 nan 0.000 0.416 495 Q N 6.332 126.204 119.800 0.120 0.000 2.290 495 Q HA 0.617 4.957 4.340 0.000 0.000 0.259 495 Q C -0.699 175.372 176.000 0.117 0.000 0.941 495 Q CA -0.511 55.345 55.803 0.088 0.000 0.912 495 Q CB 2.384 31.132 28.738 0.015 0.000 1.244 495 Q HN 0.755 nan 8.270 nan 0.000 0.441 496 I N -1.538 119.126 120.570 0.157 0.000 2.530 496 I HA 0.896 5.066 4.170 0.000 0.000 0.297 496 I C -0.784 175.386 176.117 0.089 0.000 1.011 496 I CA -1.018 60.366 61.300 0.139 0.000 1.107 496 I CB 2.054 40.199 38.000 0.242 0.000 1.285 496 I HN 0.583 nan 8.210 nan 0.000 0.436 497 A N 4.359 127.181 122.820 0.003 0.000 3.307 497 A HA 0.827 5.147 4.320 0.000 0.000 0.289 497 A C -0.172 177.142 177.584 -0.451 0.000 1.138 497 A CA 0.225 52.223 52.037 -0.066 0.000 0.860 497 A CB 0.048 18.973 19.000 -0.124 0.000 1.318 497 A HN 1.444 nan 8.150 nan 0.000 0.551 498 G N -0.248 108.462 108.800 -0.149 0.000 2.356 498 G HA2 0.656 4.616 3.960 0.000 0.000 0.281 498 G HA3 0.656 4.616 3.960 0.000 0.000 0.281 498 G C -0.877 174.035 174.900 0.021 0.000 1.246 498 G CA 0.263 45.234 45.100 -0.214 0.000 0.889 498 G HN 1.639 nan 8.290 nan 0.000 0.486 499 A N 1.185 123.993 122.820 -0.020 0.000 2.273 499 A HA 0.809 5.129 4.320 0.000 0.000 0.320 499 A C -2.426 175.164 177.584 0.010 0.000 1.358 499 A CA -1.296 50.750 52.037 0.014 0.000 0.910 499 A CB 0.515 19.508 19.000 -0.011 0.000 1.159 499 A HN 0.344 nan 8.150 nan 0.000 0.526 500 P HA 0.253 nan 4.420 nan 0.000 0.269 500 P C -0.846 176.442 177.300 -0.020 0.000 1.209 500 P CA 0.156 63.265 63.100 0.015 0.000 0.776 500 P CB 0.673 32.391 31.700 0.030 0.000 0.876 501 D N 1.324 121.685 120.400 -0.065 0.000 2.593 501 D HA 0.240 4.881 4.640 0.000 0.000 0.251 501 D C -1.014 175.071 176.300 -0.358 0.000 1.140 501 D CA -0.441 53.452 54.000 -0.177 0.000 0.855 501 D CB 1.067 41.797 40.800 -0.116 0.000 1.267 501 D HN -0.112 nan 8.370 nan 0.000 0.532 502 V N 5.003 124.558 119.914 -0.599 0.000 2.508 502 V HA 0.154 4.274 4.120 0.000 0.000 0.281 502 V C 0.271 175.826 176.094 -0.898 0.000 1.041 502 V CA -0.067 61.770 62.300 -0.772 0.000 1.016 502 V CB 0.842 31.915 31.823 -1.250 0.000 0.984 502 V HN 0.545 nan 8.190 nan 0.000 0.478 503 H N 5.098 123.750 119.070 -0.697 0.000 2.530 503 H HA 0.308 4.865 4.556 0.000 0.000 0.246 503 H C -0.554 174.474 175.328 -0.500 0.000 1.346 503 H CA -0.632 55.004 56.048 -0.687 0.000 1.424 503 H CB 1.470 30.502 29.762 -1.217 0.000 1.445 503 H HN 0.429 nan 8.280 nan 0.000 0.511 504 L N 2.760 123.818 121.223 -0.274 0.000 2.292 504 L HA 0.205 4.545 4.340 0.000 0.000 0.284 504 L C -0.038 176.799 176.870 -0.054 0.000 1.065 504 L CA -0.170 54.567 54.840 -0.171 0.000 0.806 504 L CB 1.157 43.093 42.059 -0.205 0.000 1.175 504 L HN 0.354 nan 8.230 nan 0.000 0.431 505 Q N 5.131 124.913 119.800 -0.030 0.000 2.394 505 Q HA 0.710 5.050 4.340 0.000 0.000 0.259 505 Q C -1.073 174.959 176.000 0.053 0.000 1.021 505 Q CA -0.353 55.459 55.803 0.016 0.000 0.805 505 Q CB 1.742 30.510 28.738 0.049 0.000 1.226 505 Q HN 0.787 nan 8.270 nan 0.000 0.476 506 A N 1.760 124.587 122.820 0.013 0.000 2.572 506 A HA 0.806 5.126 4.320 0.000 0.000 0.295 506 A C -0.689 176.956 177.584 0.101 0.000 1.072 506 A CA -0.552 51.449 52.037 -0.060 0.000 0.691 506 A CB 1.678 20.192 19.000 -0.810 0.000 1.291 506 A HN 0.621 nan 8.150 nan 0.000 0.404 507 S N -0.094 115.717 115.700 0.186 0.000 2.599 507 S HA 0.879 5.349 4.470 0.000 0.000 0.294 507 S C -0.432 174.339 174.600 0.286 0.000 1.094 507 S CA -0.257 58.079 58.200 0.227 0.000 0.931 507 S CB 1.904 65.196 63.200 0.153 0.000 1.093 507 S HN 1.578 nan 8.310 nan 0.000 0.488 508 T N -0.136 114.572 114.554 0.256 0.000 2.900 508 T HA 0.511 4.861 4.350 0.000 0.000 0.295 508 T C 0.979 175.726 174.700 0.078 0.000 1.044 508 T CA -0.026 62.174 62.100 0.168 0.000 0.995 508 T CB 1.516 70.485 68.868 0.169 0.000 1.072 508 T HN 1.037 nan 8.240 nan 0.000 0.473 509 S N 2.200 117.915 115.700 0.025 0.000 2.527 509 S HA 0.272 4.742 4.470 0.000 0.000 0.222 509 S C 1.189 175.797 174.600 0.014 0.000 0.985 509 S CA 0.257 58.464 58.200 0.013 0.000 0.921 509 S CB -0.286 62.911 63.200 -0.004 0.000 0.772 509 S HN 0.896 nan 8.310 nan 0.000 0.529 510 G N 1.142 109.950 108.800 0.013 0.000 2.531 510 G HA2 0.452 4.412 3.960 0.000 0.000 0.253 510 G HA3 0.452 4.412 3.960 0.000 0.000 0.253 510 G C 0.394 175.314 174.900 0.034 0.000 1.439 510 G CA -0.002 45.104 45.100 0.011 0.000 1.056 510 G HN 0.583 nan 8.290 nan 0.000 0.555 511 S N -1.516 114.208 115.700 0.041 0.000 2.730 511 S HA 0.357 4.827 4.470 0.000 0.000 0.244 511 S C -0.339 174.328 174.600 0.112 0.000 1.022 511 S CA -0.176 58.064 58.200 0.066 0.000 1.014 511 S CB 0.493 63.735 63.200 0.070 0.000 0.963 511 S HN 0.518 nan 8.310 nan 0.000 0.540 512 D N -0.273 120.171 120.400 0.073 0.000 2.653 512 D HA 0.668 5.308 4.640 0.000 0.000 0.258 512 D C -1.591 174.671 176.300 -0.064 0.000 1.252 512 D CA 0.065 54.099 54.000 0.058 0.000 0.777 512 D CB 2.010 42.839 40.800 0.048 0.000 1.339 512 D HN 0.035 nan 8.370 nan 0.000 0.422 513 S N 0.403 116.012 115.700 -0.152 0.000 2.614 513 S HA 0.338 4.809 4.470 0.000 0.000 0.280 513 S C -2.048 172.204 174.600 -0.580 0.000 1.111 513 S CA -0.799 57.142 58.200 -0.431 0.000 0.847 513 S CB 1.369 64.149 63.200 -0.699 0.000 1.079 513 S HN 0.375 nan 8.310 nan 0.000 0.452 514 D N 0.602 120.629 120.400 -0.622 0.000 2.181 514 D HA 0.580 5.220 4.640 0.000 0.000 0.248 514 D C -1.185 174.670 176.300 -0.741 0.000 1.020 514 D CA 0.014 53.715 54.000 -0.500 0.000 0.891 514 D CB 0.805 41.447 40.800 -0.264 0.000 1.187 514 D HN 0.419 nan 8.370 nan 0.000 0.443 515 W N 1.010 122.261 121.300 -0.081 0.000 2.619 515 W HA 0.503 5.163 4.660 0.000 0.000 0.327 515 W C -0.924 175.603 176.519 0.013 0.000 1.027 515 W CA -0.907 56.413 57.345 -0.041 0.000 1.233 515 W CB 1.328 30.704 29.460 -0.141 0.000 1.370 515 W HN -0.077 nan 8.180 nan 0.000 0.453 516 V N 4.512 124.604 119.914 0.297 0.000 2.417 516 V HA 0.558 4.678 4.120 0.000 0.000 0.291 516 V C -0.426 175.857 176.094 0.314 0.000 1.024 516 V CA -0.992 61.459 62.300 0.251 0.000 0.861 516 V CB 1.486 33.416 31.823 0.179 0.000 0.985 516 V HN 0.305 nan 8.190 nan 0.000 0.436 517 V N 5.497 125.622 119.914 0.351 0.000 2.531 517 V HA 0.527 4.647 4.120 0.000 0.000 0.301 517 V C -0.337 175.902 176.094 0.240 0.000 1.034 517 V CA -0.943 61.525 62.300 0.280 0.000 0.865 517 V CB 2.007 33.980 31.823 0.250 0.000 0.995 517 V HN 0.862 nan 8.190 nan 0.000 0.424 518 K N 4.428 124.945 120.400 0.196 0.000 2.376 518 K HA 0.651 4.971 4.320 0.000 0.000 0.257 518 K C -1.278 175.415 176.600 0.156 0.000 0.939 518 K CA -0.852 55.546 56.287 0.185 0.000 0.809 518 K CB 2.627 35.239 32.500 0.187 0.000 1.121 518 K HN 0.442 nan 8.250 nan 0.000 0.425 519 L N 4.778 126.092 121.223 0.153 0.000 2.265 519 L HA 0.480 4.820 4.340 0.000 0.000 0.289 519 L C -1.178 175.811 176.870 0.199 0.000 1.033 519 L CA -0.214 54.717 54.840 0.151 0.000 0.814 519 L CB 0.459 42.604 42.059 0.143 0.000 1.203 519 L HN 0.585 nan 8.230 nan 0.000 0.423 520 I N 4.009 124.710 120.570 0.219 0.000 2.603 520 I HA 0.353 4.523 4.170 0.000 0.000 0.300 520 I C -0.783 175.577 176.117 0.404 0.000 1.017 520 I CA -0.659 60.800 61.300 0.266 0.000 1.098 520 I CB 2.026 40.153 38.000 0.212 0.000 1.279 520 I HN 0.522 nan 8.210 nan 0.000 0.437 521 D N 5.606 126.267 120.400 0.436 0.000 2.373 521 D HA 0.264 4.904 4.640 0.000 0.000 0.227 521 D C -0.966 175.642 176.300 0.513 0.000 1.091 521 D CA -0.284 54.053 54.000 0.561 0.000 0.840 521 D CB 1.481 42.481 40.800 0.334 0.000 1.060 521 D HN 0.084 nan 8.370 nan 0.000 0.502 522 V N 5.502 125.682 119.914 0.443 0.000 2.385 522 V HA 0.137 4.257 4.120 0.000 0.000 0.269 522 V C 0.174 176.498 176.094 0.383 0.000 1.043 522 V CA -0.688 61.840 62.300 0.380 0.000 0.906 522 V CB -0.145 31.818 31.823 0.232 0.000 0.995 522 V HN 0.409 nan 8.190 nan 0.000 0.467 523 Y N 5.792 126.199 120.300 0.178 0.000 2.426 523 Y HA 0.228 4.778 4.550 0.000 0.000 0.344 523 Y C -1.660 174.123 175.900 -0.194 0.000 1.256 523 Y CA -1.803 56.231 58.100 -0.109 0.000 1.451 523 Y CB 0.000 38.462 38.460 0.003 0.000 1.342 523 Y HN 0.465 nan 8.280 nan 0.000 0.600 524 P HA -0.074 nan 4.420 nan 0.000 0.264 524 P C 0.451 177.755 177.300 0.007 0.000 1.183 524 P CA 0.407 63.440 63.100 -0.113 0.000 0.763 524 P CB 0.413 32.033 31.700 -0.133 0.000 0.807 525 E N 1.350 121.563 120.200 0.021 0.000 2.147 525 E HA -0.256 4.094 4.350 0.000 0.000 0.199 525 E C 0.499 177.119 176.600 0.033 0.000 1.005 525 E CA 1.273 57.694 56.400 0.036 0.000 0.810 525 E CB -0.002 29.715 29.700 0.028 0.000 0.736 525 E HN 0.445 nan 8.360 nan 0.000 0.460 529 S N 0.732 116.435 115.700 0.006 0.000 2.489 529 S HA 0.073 4.543 4.470 0.000 0.000 0.228 529 S C 0.675 175.270 174.600 -0.008 0.000 0.995 529 S CA 1.158 59.359 58.200 0.002 0.000 0.934 529 S CB -0.073 63.132 63.200 0.008 0.000 0.771 529 S HN 0.525 nan 8.310 nan 0.000 0.522 530 N N 0.419 119.113 118.700 -0.011 0.000 2.716 530 N HA 0.290 5.030 4.740 0.000 0.000 0.245 530 N C -2.538 172.952 175.510 -0.033 0.000 1.495 530 N CA -1.428 51.602 53.050 -0.034 0.000 0.759 530 N CB 0.822 39.279 38.487 -0.051 0.000 1.261 530 N HN -0.146 nan 8.380 nan 0.000 0.515 531 P HA -0.201 nan 4.420 nan 0.000 0.217 531 P C 0.280 177.572 177.300 -0.013 0.000 1.151 531 P CA 1.398 64.491 63.100 -0.013 0.000 0.849 531 P CB 0.167 31.861 31.700 -0.011 0.000 0.787 535 G N 0.642 109.515 108.800 0.123 0.000 2.162 535 G HA2 -0.249 3.712 3.960 0.000 0.000 0.260 535 G HA3 -0.249 3.712 3.960 0.000 0.000 0.260 535 G C 0.529 175.525 174.900 0.160 0.000 0.976 535 G CA 0.687 45.862 45.100 0.125 0.000 0.655 535 G HN 1.843 nan 8.290 nan 0.000 0.533 536 Y N 1.794 122.109 120.300 0.025 0.000 2.721 536 Y HA 0.356 4.906 4.550 0.000 0.000 0.329 536 Y C 0.783 176.744 175.900 0.101 0.000 1.211 536 Y CA 0.562 58.640 58.100 -0.037 0.000 1.512 536 Y CB 0.481 38.756 38.460 -0.308 0.000 1.249 536 Y HN 0.335 nan 8.280 nan 0.000 0.549 537 E N 6.831 127.032 120.200 0.002 0.000 2.042 537 E HA 0.160 4.510 4.350 0.000 0.000 0.260 537 E C -1.303 175.401 176.600 0.174 0.000 0.975 537 E CA -0.681 55.801 56.400 0.137 0.000 0.799 537 E CB 0.454 30.190 29.700 0.061 0.000 1.131 537 E HN 0.422 nan 8.360 nan 0.000 0.423 538 L N 4.943 126.423 121.223 0.429 0.000 2.278 538 L HA 0.338 4.678 4.340 0.000 0.000 0.287 538 L C -2.585 174.456 176.870 0.286 0.000 1.072 538 L CA -2.169 52.921 54.840 0.418 0.000 0.819 538 L CB 0.438 42.808 42.059 0.518 0.000 1.176 538 L HN 0.139 nan 8.230 nan 0.000 0.435 539 P HA 0.097 nan 4.420 nan 0.000 0.279 539 P C 0.685 178.152 177.300 0.278 0.000 1.318 539 P CA -0.156 63.070 63.100 0.210 0.000 0.819 539 P CB 1.028 32.825 31.700 0.163 0.000 0.927 540 V N 1.970 121.999 119.914 0.192 0.000 2.453 540 V HA -0.063 4.057 4.120 0.000 0.000 0.247 540 V C 1.120 177.265 176.094 0.084 0.000 1.048 540 V CA 1.751 64.104 62.300 0.088 0.000 1.049 540 V CB -0.172 31.513 31.823 -0.230 0.000 0.672 540 V HN 0.628 nan 8.190 nan 0.000 0.457 541 S N -0.170 115.598 115.700 0.114 0.000 2.562 541 S HA 0.639 5.109 4.470 0.000 0.000 0.274 541 S C -1.442 173.245 174.600 0.145 0.000 1.160 541 S CA -0.742 57.516 58.200 0.097 0.000 0.933 541 S CB 1.365 64.603 63.200 0.064 0.000 1.100 541 S HN 0.371 nan 8.310 nan 0.000 0.468 542 L N 2.218 123.538 121.223 0.162 0.000 2.424 542 L HA 1.152 5.492 4.340 0.000 0.000 0.258 542 L C -0.709 176.321 176.870 0.268 0.000 0.995 542 L CA -0.703 54.267 54.840 0.216 0.000 0.821 542 L CB 1.375 43.568 42.059 0.223 0.000 1.383 542 L HN 0.891 nan 8.230 nan 0.000 0.410 543 A N 1.901 124.921 122.820 0.333 0.000 2.606 543 A HA 0.849 5.169 4.320 0.000 0.000 0.293 543 A C -1.707 176.058 177.584 0.301 0.000 1.082 543 A CA -0.440 51.819 52.037 0.370 0.000 0.685 543 A CB 1.385 20.708 19.000 0.538 0.000 1.284 543 A HN 1.109 nan 8.150 nan 0.000 0.408 544 I N 0.306 120.949 120.570 0.122 0.000 2.603 544 I HA 0.819 4.989 4.170 0.000 0.000 0.300 544 I C -1.767 174.277 176.117 -0.122 0.000 1.017 544 I CA -1.097 60.149 61.300 -0.091 0.000 1.098 544 I CB 1.570 39.298 38.000 -0.454 0.000 1.279 544 I HN 0.665 nan 8.210 nan 0.000 0.437 545 F N 6.865 126.554 119.950 -0.435 0.000 2.539 545 F HA 0.519 5.046 4.527 0.000 0.000 0.318 545 F C -0.556 175.125 175.800 -0.197 0.000 1.135 545 F CA -0.756 56.966 58.000 -0.464 0.000 0.915 545 F CB 1.231 39.510 39.000 -1.202 0.000 1.176 545 F HN 0.406 nan 8.300 nan 0.000 0.440 546 R N 3.856 124.093 120.500 -0.439 0.000 2.210 546 R HA 0.324 4.665 4.340 0.000 0.000 0.338 546 R C 1.297 177.545 176.300 -0.087 0.000 1.062 546 R CA 0.572 56.556 56.100 -0.192 0.000 0.902 546 R CB 0.775 31.049 30.300 -0.043 0.000 1.050 546 R HN 0.981 nan 8.270 nan 0.000 0.461 547 G N 4.851 113.739 108.800 0.147 0.000 2.507 547 G HA2 -0.361 3.599 3.960 0.000 0.000 0.221 547 G HA3 -0.361 3.599 3.960 0.000 0.000 0.221 547 G C 1.245 176.364 174.900 0.366 0.000 1.119 547 G CA 0.928 46.326 45.100 0.497 0.000 0.751 547 G HN 0.783 nan 8.290 nan 0.000 0.574 548 R N -0.696 119.819 120.500 0.025 0.000 2.249 548 R HA -0.076 4.264 4.340 0.000 0.000 0.230 548 R C 1.037 177.236 176.300 -0.168 0.000 1.121 548 R CA 1.151 57.198 56.100 -0.088 0.000 0.997 548 R CB -0.521 29.641 30.300 -0.230 0.000 0.867 548 R HN 0.437 nan 8.270 nan 0.000 0.465 549 Y N 0.802 121.211 120.300 0.183 0.000 2.532 549 Y HA 0.295 4.845 4.550 0.000 0.000 0.283 549 Y C 2.142 178.125 175.900 0.138 0.000 1.181 549 Y CA -0.896 57.271 58.100 0.111 0.000 1.256 549 Y CB -0.186 38.352 38.460 0.130 0.000 1.112 549 Y HN 0.016 nan 8.280 nan 0.000 0.521 550 R N 1.151 121.899 120.500 0.414 0.000 2.096 550 R HA -0.214 4.126 4.340 0.000 0.000 0.240 550 R C 1.243 177.549 176.300 0.011 0.000 1.139 550 R CA 2.364 58.637 56.100 0.289 0.000 0.952 550 R CB 0.057 30.382 30.300 0.041 0.000 0.854 550 R HN 0.439 nan 8.270 nan 0.000 0.436 551 E N -0.905 119.287 120.200 -0.013 0.000 2.318 551 E HA 0.026 4.376 4.350 0.000 0.000 0.193 551 E C 0.051 176.619 176.600 -0.054 0.000 0.998 551 E CA 0.283 56.652 56.400 -0.052 0.000 0.859 551 E CB 0.585 30.261 29.700 -0.041 0.000 0.812 551 E HN 0.083 nan 8.360 nan 0.000 0.492 552 S N -1.199 114.476 115.700 -0.041 0.000 2.560 552 S HA 0.189 4.659 4.470 0.000 0.000 0.283 552 S C -0.602 174.039 174.600 0.067 0.000 1.141 552 S CA -0.712 57.472 58.200 -0.027 0.000 0.902 552 S CB 0.216 63.456 63.200 0.067 0.000 1.104 552 S HN 0.019 nan 8.310 nan 0.000 0.454 553 F N 2.627 122.710 119.950 0.221 0.000 2.367 553 F HA 0.075 4.602 4.527 0.000 0.000 0.298 553 F C 2.711 178.506 175.800 -0.008 0.000 1.094 553 F CA 1.227 59.274 58.000 0.078 0.000 1.409 553 F CB -0.181 38.732 39.000 -0.145 0.000 1.064 553 F HN 0.711 nan 8.300 nan 0.000 0.528 554 S N -2.326 113.516 115.700 0.237 0.000 2.478 554 S HA 0.054 4.524 4.470 0.000 0.000 0.222 554 S C 0.836 175.548 174.600 0.187 0.000 1.008 554 S CA 0.375 58.661 58.200 0.144 0.000 0.928 554 S CB -0.450 62.812 63.200 0.103 0.000 0.781 554 S HN 0.099 nan 8.310 nan 0.000 0.518 555 T N 4.994 119.676 114.554 0.214 0.000 3.060 555 T HA 0.440 4.791 4.350 0.000 0.000 0.367 555 T C -2.956 171.869 174.700 0.209 0.000 1.229 555 T CA -1.395 60.815 62.100 0.182 0.000 1.104 555 T CB 1.532 70.467 68.868 0.112 0.000 1.083 555 T HN 0.245 nan 8.240 nan 0.000 0.524 556 P HA 0.312 nan 4.420 nan 0.000 0.271 556 P C -0.534 176.849 177.300 0.138 0.000 1.218 556 P CA -0.385 62.818 63.100 0.171 0.000 0.780 556 P CB 1.033 32.812 31.700 0.131 0.000 0.901 557 K N 2.270 122.683 120.400 0.023 0.000 2.502 557 K HA 0.433 4.753 4.320 0.000 0.000 0.257 557 K C -2.696 173.656 176.600 -0.413 0.000 0.938 557 K CA -2.086 54.074 56.287 -0.211 0.000 0.819 557 K CB 2.416 34.846 32.500 -0.116 0.000 1.333 557 K HN 0.294 nan 8.250 nan 0.000 0.434 558 P HA 0.126 nan 4.420 nan 0.000 0.271 558 P C -0.441 176.749 177.300 -0.184 0.000 1.218 558 P CA -0.194 62.536 63.100 -0.617 0.000 0.780 558 P CB 0.592 31.909 31.700 -0.639 0.000 0.901 559 L N 1.944 123.155 121.223 -0.020 0.000 2.331 559 L HA 0.191 4.531 4.340 0.000 0.000 0.278 559 L C 0.955 177.841 176.870 0.026 0.000 1.106 559 L CA -0.251 54.627 54.840 0.064 0.000 0.824 559 L CB 0.237 42.418 42.059 0.203 0.000 1.142 559 L HN 0.297 nan 8.230 nan 0.000 0.443 560 T N 2.188 116.748 114.554 0.010 0.000 2.784 560 T HA 0.038 4.388 4.350 0.000 0.000 0.291 560 T C 0.469 175.183 174.700 0.023 0.000 0.942 560 T CA -0.239 61.858 62.100 -0.004 0.000 1.161 560 T CB 0.206 69.060 68.868 -0.024 0.000 0.885 560 T HN 0.572 nan 8.240 nan 0.000 0.534 561 S N 4.836 120.548 115.700 0.019 0.000 2.546 561 S HA 0.021 4.491 4.470 0.000 0.000 0.290 561 S C 1.117 175.729 174.600 0.020 0.000 1.290 561 S CA -0.503 57.713 58.200 0.028 0.000 1.069 561 S CB 0.041 63.251 63.200 0.018 0.000 0.846 561 S HN 0.843 nan 8.310 nan 0.000 0.495 562 N N 0.284 119.001 118.700 0.028 0.000 2.741 562 N HA -0.180 4.561 4.740 0.000 0.000 0.251 562 N C -0.436 175.076 175.510 0.003 0.000 1.112 562 N CA 0.945 54.003 53.050 0.014 0.000 0.750 562 N CB -0.851 37.639 38.487 0.005 0.000 1.119 562 N HN 0.722 nan 8.380 nan 0.000 0.561 563 Q N 0.866 120.668 119.800 0.004 0.000 2.333 563 Q HA 0.501 4.841 4.340 0.000 0.000 0.268 563 Q C -2.785 173.180 176.000 -0.058 0.000 1.007 563 Q CA -1.813 53.968 55.803 -0.037 0.000 0.810 563 Q CB 1.682 30.398 28.738 -0.036 0.000 1.264 563 Q HN -0.082 nan 8.270 nan 0.000 0.452 564 P HA 0.134 nan 4.420 nan 0.000 0.267 564 P C -1.064 176.129 177.300 -0.179 0.000 1.209 564 P CA 0.343 63.277 63.100 -0.276 0.000 0.763 564 P CB 0.446 31.727 31.700 -0.699 0.000 0.816 565 L N 1.960 123.116 121.223 -0.112 0.000 2.388 565 L HA 0.726 5.066 4.340 0.000 0.000 0.264 565 L C 0.124 176.808 176.870 -0.311 0.000 0.998 565 L CA -1.307 53.397 54.840 -0.226 0.000 0.817 565 L CB 2.186 44.072 42.059 -0.288 0.000 1.338 565 L HN 0.226 nan 8.230 nan 0.000 0.414 566 A N 2.000 124.592 122.820 -0.380 0.000 2.320 566 A HA 0.735 5.055 4.320 0.000 0.000 0.287 566 A C -1.134 176.132 177.584 -0.530 0.000 1.181 566 A CA -0.037 51.817 52.037 -0.305 0.000 0.831 566 A CB -0.142 18.750 19.000 -0.180 0.000 1.102 566 A HN 0.447 nan 8.150 nan 0.000 0.513 567 F N 0.768 120.578 119.950 -0.233 0.000 2.482 567 F HA 0.537 5.064 4.527 0.000 0.000 0.331 567 F C 0.403 175.989 175.800 -0.357 0.000 1.115 567 F CA -0.216 57.602 58.000 -0.303 0.000 0.955 567 F CB 2.220 41.035 39.000 -0.309 0.000 1.136 567 F HN 0.627 nan 8.300 nan 0.000 0.452 568 Q N 4.772 124.429 119.800 -0.238 0.000 2.292 568 Q HA 0.628 4.968 4.340 0.000 0.000 0.270 568 Q C -1.809 174.054 176.000 -0.229 0.000 1.024 568 Q CA -0.691 54.887 55.803 -0.376 0.000 0.768 568 Q CB 1.960 30.492 28.738 -0.343 0.000 1.250 568 Q HN 0.634 nan 8.270 nan 0.000 0.447 569 F N -0.036 119.691 119.950 -0.372 0.000 2.665 569 F HA 0.745 5.272 4.527 0.000 0.000 0.308 569 F C -0.365 175.425 175.800 -0.018 0.000 1.112 569 F CA -1.063 56.794 58.000 -0.237 0.000 0.972 569 F CB 0.591 39.286 39.000 -0.507 0.000 1.295 569 F HN 0.442 nan 8.300 nan 0.000 0.440 570 G N 2.448 111.478 108.800 0.383 0.000 2.444 570 G HA2 0.556 4.516 3.960 0.000 0.000 0.268 570 G HA3 0.556 4.516 3.960 0.000 0.000 0.268 570 G C -1.052 174.090 174.900 0.402 0.000 1.203 570 G CA -0.845 44.437 45.100 0.303 0.000 0.835 570 G HN 0.795 nan 8.290 nan 0.000 0.543 571 L N 2.104 123.452 121.223 0.210 0.000 2.344 571 L HA 0.355 4.695 4.340 0.000 0.000 0.272 571 L C -1.957 175.014 176.870 0.168 0.000 1.035 571 L CA -2.023 52.949 54.840 0.219 0.000 0.807 571 L CB 2.119 44.254 42.059 0.127 0.000 1.237 571 L HN 0.289 nan 8.230 nan 0.000 0.442 572 P HA -0.034 nan 4.420 nan 0.000 0.266 572 P C -0.366 176.954 177.300 0.033 0.000 1.186 572 P CA 0.120 63.270 63.100 0.083 0.000 0.767 572 P CB 0.256 31.988 31.700 0.053 0.000 0.820 573 T N 1.696 116.256 114.554 0.010 0.000 2.937 573 T HA 0.351 4.701 4.350 0.000 0.000 0.316 573 T C 0.200 174.885 174.700 -0.026 0.000 1.079 573 T CA 0.662 62.783 62.100 0.036 0.000 1.131 573 T CB -0.039 68.860 68.868 0.052 0.000 1.000 573 T HN 0.490 nan 8.240 nan 0.000 0.549 574 A N 2.823 125.677 122.820 0.057 0.000 2.486 574 A HA 0.683 5.003 4.320 0.000 0.000 0.300 574 A C -0.475 177.187 177.584 0.130 0.000 1.048 574 A CA -0.846 51.184 52.037 -0.010 0.000 0.696 574 A CB 1.345 20.341 19.000 -0.007 0.000 1.278 574 A HN 0.660 nan 8.150 nan 0.000 0.405 575 N N 0.872 119.575 118.700 0.004 0.000 2.762 575 N HA 0.407 5.147 4.740 0.000 0.000 0.252 575 N C -1.391 174.075 175.510 -0.073 0.000 1.269 575 N CA -0.090 52.997 53.050 0.062 0.000 0.799 575 N CB 0.313 38.743 38.487 -0.094 0.000 1.173 575 N HN 0.800 nan 8.380 nan 0.000 0.516 576 H N -0.191 118.778 119.070 -0.170 0.000 2.856 576 H HA 0.489 5.045 4.556 0.000 0.000 0.355 576 H C -1.162 173.987 175.328 -0.297 0.000 1.079 576 H CA -0.374 55.493 56.048 -0.302 0.000 1.240 576 H CB 1.421 30.941 29.762 -0.403 0.000 1.701 576 H HN 0.127 nan 8.280 nan 0.000 0.527 577 T N 6.038 120.175 114.554 -0.695 0.000 2.756 577 T HA 0.235 4.585 4.350 0.000 0.000 0.290 577 T C -0.594 173.763 174.700 -0.572 0.000 0.985 577 T CA -0.423 61.425 62.100 -0.419 0.000 0.955 577 T CB -0.237 68.444 68.868 -0.313 0.000 0.930 577 T HN 0.297 nan 8.240 nan 0.000 0.451 578 F N 3.830 123.695 119.950 -0.141 0.000 2.438 578 F HA 0.234 4.761 4.527 0.000 0.000 0.360 578 F C 1.329 177.008 175.800 -0.200 0.000 1.118 578 F CA -0.662 57.257 58.000 -0.135 0.000 1.164 578 F CB 0.457 39.489 39.000 0.054 0.000 1.131 578 F HN 0.300 nan 8.300 nan 0.000 0.527 579 Q N 4.377 123.993 119.800 -0.306 0.000 2.317 579 Q HA 0.273 4.613 4.340 0.000 0.000 0.229 579 Q C -2.261 173.816 176.000 0.129 0.000 0.984 579 Q CA -1.976 53.752 55.803 -0.126 0.000 0.911 579 Q CB 0.355 28.966 28.738 -0.210 0.000 1.217 579 Q HN 0.269 nan 8.270 nan 0.000 0.501 580 P HA -0.028 nan 4.420 nan 0.000 0.264 580 P C 0.562 177.966 177.300 0.175 0.000 1.183 580 P CA 1.283 64.461 63.100 0.129 0.000 0.763 580 P CB 0.275 32.021 31.700 0.077 0.000 0.807 581 G N 1.244 110.122 108.800 0.130 0.000 2.258 581 G HA2 -0.195 3.765 3.960 0.000 0.000 0.233 581 G HA3 -0.195 3.765 3.960 0.000 0.000 0.233 581 G C 0.289 175.213 174.900 0.041 0.000 1.006 581 G CA -0.323 44.816 45.100 0.065 0.000 0.620 581 G HN 0.638 nan 8.290 nan 0.000 0.511 582 H N 0.760 119.864 119.070 0.057 0.000 2.546 582 H HA 0.612 5.168 4.556 0.000 0.000 0.365 582 H C 0.602 175.998 175.328 0.114 0.000 1.220 582 H CA 0.095 56.197 56.048 0.089 0.000 1.386 582 H CB 0.747 30.566 29.762 0.095 0.000 1.510 582 H HN 0.317 nan 8.280 nan 0.000 0.591 583 R N 0.273 120.927 120.500 0.257 0.000 2.854 583 R HA 0.473 4.813 4.340 0.000 0.000 0.271 583 R C -0.631 175.760 176.300 0.151 0.000 0.996 583 R CA -0.805 55.389 56.100 0.157 0.000 0.961 583 R CB 1.958 32.325 30.300 0.112 0.000 1.182 583 R HN 0.216 nan 8.270 nan 0.000 0.479 587 Q N 2.334 122.240 119.800 0.177 0.000 2.309 587 Q HA 0.853 5.193 4.340 0.000 0.000 0.264 587 Q C -1.279 174.820 176.000 0.166 0.000 1.008 587 Q CA -0.730 55.159 55.803 0.142 0.000 0.853 587 Q CB 2.946 31.732 28.738 0.079 0.000 1.314 587 Q HN 0.589 nan 8.270 nan 0.000 0.448 588 V N 3.145 123.145 119.914 0.142 0.000 2.588 588 V HA 0.452 4.572 4.120 0.000 0.000 0.304 588 V C -0.468 175.626 176.094 -0.001 0.000 1.042 588 V CA -0.593 61.806 62.300 0.164 0.000 0.877 588 V CB 1.658 33.648 31.823 0.278 0.000 0.996 588 V HN 0.829 nan 8.190 nan 0.000 0.425 589 Q N 2.494 122.356 119.800 0.102 0.000 2.693 589 Q HA 0.611 4.951 4.340 0.000 0.000 0.306 589 Q C -0.861 175.271 176.000 0.219 0.000 0.969 589 Q CA -0.867 54.960 55.803 0.039 0.000 0.757 589 Q CB 2.005 30.748 28.738 0.009 0.000 1.494 589 Q HN 0.327 nan 8.270 nan 0.000 0.459 590 S N 0.008 115.821 115.700 0.190 0.000 2.730 590 S HA 0.276 4.746 4.470 0.000 0.000 0.244 590 S C -0.664 173.922 174.600 -0.023 0.000 1.022 590 S CA 0.262 58.468 58.200 0.010 0.000 1.014 590 S CB 0.480 63.617 63.200 -0.105 0.000 0.963 590 S HN 0.613 nan 8.310 nan 0.000 0.540 591 S N 0.736 116.469 115.700 0.054 0.000 2.570 591 S HA 0.800 5.270 4.470 0.000 0.000 0.270 591 S C -1.424 173.271 174.600 0.157 0.000 1.149 591 S CA -0.799 57.449 58.200 0.081 0.000 0.837 591 S CB 2.053 65.293 63.200 0.065 0.000 1.124 591 S HN 0.071 nan 8.310 nan 0.000 0.465 592 L N 1.656 123.014 121.223 0.224 0.000 2.422 592 L HA 0.588 4.928 4.340 0.000 0.000 0.263 592 L C -1.852 175.191 176.870 0.289 0.000 1.372 592 L CA -0.152 54.862 54.840 0.291 0.000 0.857 592 L CB 0.566 42.797 42.059 0.285 0.000 1.024 592 L HN 0.825 nan 8.230 nan 0.000 0.507 593 F N 4.685 124.723 119.950 0.148 0.000 2.492 593 F HA 0.771 5.298 4.527 0.000 0.000 0.327 593 F C -1.657 174.279 175.800 0.228 0.000 1.079 593 F CA -1.894 56.137 58.000 0.051 0.000 0.967 593 F CB 2.107 41.089 39.000 -0.030 0.000 1.169 593 F HN 0.229 nan 8.300 nan 0.000 0.472 594 P HA -0.007 nan 4.420 nan 0.000 0.257 594 P C 1.397 178.162 177.300 -0.890 0.000 1.325 594 P CA 0.312 62.498 63.100 -1.524 0.000 0.850 594 P CB 0.201 30.983 31.700 -1.530 0.000 1.324 595 L N -0.135 120.566 121.223 -0.870 0.000 2.013 595 L HA -0.071 4.269 4.340 0.000 0.000 0.212 595 L C 0.313 176.558 176.870 -1.042 0.000 1.073 595 L CA 1.784 55.943 54.840 -1.134 0.000 0.753 595 L CB -1.239 39.743 42.059 -1.795 0.000 0.890 595 L HN -0.113 nan 8.230 nan 0.000 0.432 596 Y N 0.574 120.597 120.300 -0.461 0.000 2.377 596 Y HA 0.327 4.877 4.550 0.000 0.000 0.339 596 Y C 0.116 175.951 175.900 -0.108 0.000 1.011 596 Y CA -1.888 56.043 58.100 -0.281 0.000 1.093 596 Y CB 0.561 38.924 38.460 -0.162 0.000 1.201 596 Y HN 0.209 nan 8.280 nan 0.000 0.455 597 D N 2.088 122.549 120.400 0.101 0.000 2.400 597 D HA 0.038 4.678 4.640 0.000 0.000 0.238 597 D C -0.456 175.988 176.300 0.240 0.000 1.157 597 D CA -0.379 53.756 54.000 0.225 0.000 0.889 597 D CB 0.709 41.667 40.800 0.265 0.000 1.199 597 D HN 0.483 nan 8.370 nan 0.000 0.436 598 R N 1.138 121.798 120.500 0.268 0.000 2.389 598 R HA 0.144 4.484 4.340 0.000 0.000 0.295 598 R C 0.576 176.959 176.300 0.138 0.000 1.075 598 R CA -0.624 55.574 56.100 0.163 0.000 1.005 598 R CB 0.275 30.615 30.300 0.067 0.000 0.987 598 R HN 0.436 nan 8.270 nan 0.000 0.452 599 N N 4.453 123.169 118.700 0.026 0.000 2.452 599 N HA 0.025 4.765 4.740 0.000 0.000 0.266 599 N C -1.654 173.817 175.510 -0.065 0.000 1.175 599 N CA -1.635 51.378 53.050 -0.061 0.000 0.945 599 N CB 1.147 39.558 38.487 -0.127 0.000 1.063 599 N HN 0.350 nan 8.380 nan 0.000 0.472 600 P HA -0.116 nan 4.420 nan 0.000 0.225 600 P C -0.306 176.889 177.300 -0.174 0.000 1.148 600 P CA 1.074 63.945 63.100 -0.381 0.000 0.779 600 P CB 0.294 31.536 31.700 -0.763 0.000 0.780 601 Q N -1.887 117.830 119.800 -0.139 0.000 2.385 601 Q HA -0.119 4.221 4.340 0.000 0.000 0.215 601 Q C -0.100 175.864 176.000 -0.060 0.000 0.671 601 Q CA 1.213 56.958 55.803 -0.096 0.000 1.335 601 Q CB -2.719 25.968 28.738 -0.085 0.000 1.425 601 Q HN 0.474 nan 8.270 nan 0.000 0.781 602 T N -3.015 111.492 114.554 -0.078 0.000 2.887 602 T HA 0.534 4.884 4.350 0.000 0.000 0.288 602 T C -0.786 173.907 174.700 -0.012 0.000 1.021 602 T CA -0.779 61.305 62.100 -0.026 0.000 1.000 602 T CB 1.545 70.388 68.868 -0.041 0.000 1.034 602 T HN 0.204 nan 8.240 nan 0.000 0.467 603 Y N 3.645 123.906 120.300 -0.066 0.000 2.480 603 Y HA 0.455 5.005 4.550 0.000 0.000 0.341 603 Y C 0.082 175.948 175.900 -0.056 0.000 1.031 603 Y CA -0.201 57.861 58.100 -0.063 0.000 1.295 603 Y CB 0.065 38.500 38.460 -0.042 0.000 1.162 603 Y HN 0.748 nan 8.280 nan 0.000 0.523 604 V N 4.896 124.504 119.914 -0.509 0.000 2.960 604 V HA 0.557 4.677 4.120 0.000 0.000 0.315 604 V C -2.301 173.485 176.094 -0.514 0.000 1.087 604 V CA -2.258 59.828 62.300 -0.356 0.000 0.982 604 V CB 1.704 33.395 31.823 -0.220 0.000 1.039 604 V HN 0.555 nan 8.190 nan 0.000 0.437 605 P HA -0.012 nan 4.420 nan 0.000 0.217 605 P C 0.118 177.354 177.300 -0.107 0.000 1.150 605 P CA 1.315 64.322 63.100 -0.156 0.000 0.832 605 P CB 0.116 31.806 31.700 -0.017 0.000 0.787 606 N N -1.008 117.662 118.700 -0.050 0.000 2.558 606 N HA 0.184 4.924 4.740 0.000 0.000 0.285 606 N C 0.522 176.004 175.510 -0.046 0.000 1.112 606 N CA -0.368 52.689 53.050 0.012 0.000 0.857 606 N CB 0.720 39.310 38.487 0.172 0.000 1.376 606 N HN -0.213 nan 8.380 nan 0.000 0.526 607 I N 2.040 122.523 120.570 -0.144 0.000 2.454 607 I HA -0.214 3.956 4.170 0.000 0.000 0.254 607 I C 1.309 177.327 176.117 -0.164 0.000 1.156 607 I CA 0.957 62.147 61.300 -0.183 0.000 1.433 607 I CB -0.149 37.719 38.000 -0.220 0.000 1.082 607 I HN 0.423 nan 8.210 nan 0.000 0.432 608 F N 0.284 120.083 119.950 -0.252 0.000 2.161 608 F HA -0.204 4.323 4.527 0.000 0.000 0.300 608 F C 1.506 177.066 175.800 -0.400 0.000 1.089 608 F CA 1.512 59.243 58.000 -0.448 0.000 1.282 608 F CB -0.426 37.985 39.000 -0.981 0.000 1.010 608 F HN -0.002 nan 8.300 nan 0.000 0.485 609 F N -0.340 119.749 119.950 0.231 0.000 2.750 609 F HA 0.474 5.001 4.527 0.000 0.000 0.297 609 F C 0.936 176.797 175.800 0.102 0.000 1.138 609 F CA -1.159 56.936 58.000 0.159 0.000 1.346 609 F CB -1.359 37.701 39.000 0.099 0.000 0.965 609 F HN -0.213 nan 8.300 nan 0.000 0.514 610 A N 1.083 124.014 122.820 0.185 0.000 2.540 610 A HA 0.301 4.622 4.320 0.000 0.000 0.239 610 A C 0.673 178.373 177.584 0.193 0.000 1.061 610 A CA -0.155 51.918 52.037 0.060 0.000 0.758 610 A CB 0.315 19.200 19.000 -0.192 0.000 0.991 610 A HN 0.073 nan 8.150 nan 0.000 0.502 611 K N 2.411 122.889 120.400 0.131 0.000 2.090 611 K HA 0.324 4.644 4.320 0.000 0.000 0.249 611 K C -1.960 174.800 176.600 0.267 0.000 0.995 611 K CA -2.175 54.219 56.287 0.179 0.000 0.914 611 K CB 0.145 32.708 32.500 0.105 0.000 1.057 611 K HN 0.259 nan 8.250 nan 0.000 0.462 612 P HA -0.164 nan 4.420 nan 0.000 0.216 612 P C 1.128 178.574 177.300 0.244 0.000 1.150 612 P CA 1.470 64.716 63.100 0.244 0.000 0.843 612 P CB 0.127 31.898 31.700 0.119 0.000 0.787 613 G N -0.820 108.068 108.800 0.145 0.000 2.534 613 G HA2 -0.170 3.791 3.960 0.000 0.000 0.217 613 G HA3 -0.170 3.791 3.960 0.000 0.000 0.217 613 G C 1.049 175.990 174.900 0.067 0.000 1.128 613 G CA 0.373 45.530 45.100 0.096 0.000 0.784 613 G HN 0.181 nan 8.290 nan 0.000 0.542 614 D N -0.285 120.133 120.400 0.031 0.000 2.269 614 D HA -0.012 4.628 4.640 0.000 0.000 0.208 614 D C 0.022 176.215 176.300 -0.178 0.000 0.963 614 D CA 0.353 54.285 54.000 -0.112 0.000 0.864 614 D CB -0.096 40.563 40.800 -0.234 0.000 0.936 614 D HN 0.368 nan 8.370 nan 0.000 0.505 615 Y N 1.713 122.010 120.300 -0.006 0.000 2.486 615 Y HA 0.218 4.768 4.550 0.000 0.000 0.348 615 Y C 0.906 176.793 175.900 -0.021 0.000 1.000 615 Y CA -0.040 58.047 58.100 -0.022 0.000 1.253 615 Y CB 0.430 38.873 38.460 -0.029 0.000 1.140 615 Y HN -0.258 nan 8.280 nan 0.000 0.526 616 Q N 2.672 122.517 119.800 0.075 0.000 2.397 616 Q HA 0.370 4.710 4.340 0.000 0.000 0.275 616 Q C -0.670 175.343 176.000 0.023 0.000 1.090 616 Q CA -1.168 54.660 55.803 0.043 0.000 0.809 616 Q CB 2.726 31.474 28.738 0.016 0.000 1.362 616 Q HN 0.620 nan 8.270 nan 0.000 0.431 617 K N 0.644 121.054 120.400 0.017 0.000 2.276 617 K HA 0.570 4.890 4.320 0.000 0.000 0.259 617 K C -0.446 176.145 176.600 -0.014 0.000 1.001 617 K CA -0.017 56.271 56.287 0.002 0.000 0.927 617 K CB 0.549 33.054 32.500 0.008 0.000 0.969 617 K HN 0.647 nan 8.250 nan 0.000 0.490 618 A N 1.266 124.065 122.820 -0.035 0.000 2.520 618 A HA 0.352 4.672 4.320 0.000 0.000 0.298 618 A C -0.939 176.597 177.584 -0.081 0.000 1.051 618 A CA -0.752 51.253 52.037 -0.053 0.000 0.690 618 A CB 1.617 20.574 19.000 -0.072 0.000 1.281 618 A HN 0.531 nan 8.150 nan 0.000 0.402 619 T N 3.742 118.256 114.554 -0.067 0.000 2.727 619 T HA 0.404 4.754 4.350 0.000 0.000 0.298 619 T C -0.295 174.331 174.700 -0.122 0.000 0.942 619 T CA -0.141 61.906 62.100 -0.088 0.000 0.997 619 T CB 0.299 69.143 68.868 -0.040 0.000 0.917 619 T HN 0.569 nan 8.240 nan 0.000 0.487 620 Q N 3.085 122.724 119.800 -0.268 0.000 2.245 620 Q HA 0.513 4.853 4.340 0.000 0.000 0.256 620 Q C -0.130 175.771 176.000 -0.165 0.000 0.942 620 Q CA -0.511 55.145 55.803 -0.245 0.000 0.896 620 Q CB 2.094 30.423 28.738 -0.682 0.000 1.272 620 Q HN 0.541 nan 8.270 nan 0.000 0.442 621 R N 0.659 121.153 120.500 -0.010 0.000 2.502 621 R HA 0.522 4.862 4.340 0.000 0.000 0.300 621 R C -0.995 175.341 176.300 0.060 0.000 0.984 621 R CA -0.640 55.424 56.100 -0.060 0.000 0.882 621 R CB 1.925 31.947 30.300 -0.463 0.000 1.180 621 R HN 0.275 nan 8.270 nan 0.000 0.444 622 V N 4.618 124.623 119.914 0.152 0.000 2.333 622 V HA 0.248 4.368 4.120 0.000 0.000 0.274 622 V C -0.623 175.558 176.094 0.145 0.000 1.028 622 V CA -0.666 61.738 62.300 0.175 0.000 0.851 622 V CB 0.491 32.482 31.823 0.280 0.000 1.000 622 V HN 0.566 nan 8.190 nan 0.000 0.456 623 Y N 3.887 124.260 120.300 0.121 0.000 2.359 623 Y HA 0.372 4.922 4.550 0.000 0.000 0.330 623 Y C 0.841 176.808 175.900 0.111 0.000 1.143 623 Y CA -0.137 58.060 58.100 0.163 0.000 1.318 623 Y CB 1.449 39.976 38.460 0.111 0.000 1.234 623 Y HN 0.499 nan 8.280 nan 0.000 0.522 624 V N -0.372 119.671 119.914 0.214 0.000 2.872 624 V HA 0.367 4.487 4.120 0.000 0.000 0.367 624 V C -0.149 176.013 176.094 0.113 0.000 1.343 624 V CA -0.368 62.011 62.300 0.132 0.000 1.219 624 V CB -0.600 31.280 31.823 0.094 0.000 1.308 624 V HN 0.595 nan 8.190 nan 0.000 0.610 625 S N -0.240 115.555 115.700 0.158 0.000 2.690 625 S HA 0.727 5.197 4.470 0.000 0.000 0.291 625 S C -1.732 172.901 174.600 0.054 0.000 1.138 625 S CA -1.349 56.914 58.200 0.106 0.000 1.013 625 S CB 1.757 65.057 63.200 0.167 0.000 1.053 625 S HN 0.183 nan 8.310 nan 0.000 0.539 626 P HA -0.061 nan 4.420 nan 0.000 0.218 626 P C 0.737 178.034 177.300 -0.005 0.000 1.148 626 P CA 1.251 64.329 63.100 -0.036 0.000 0.822 626 P CB 0.013 31.689 31.700 -0.041 0.000 0.784 627 E N -0.955 119.259 120.200 0.024 0.000 2.122 627 E HA -0.043 4.307 4.350 0.000 0.000 0.190 627 E C 0.728 177.347 176.600 0.031 0.000 0.977 627 E CA 0.875 57.288 56.400 0.021 0.000 0.820 627 E CB -0.205 29.509 29.700 0.022 0.000 0.770 627 E HN 0.359 nan 8.360 nan 0.000 0.462 628 Q N 0.677 120.517 119.800 0.066 0.000 3.122 628 Q HA 0.236 4.576 4.340 0.000 0.000 0.282 628 Q C -2.547 173.543 176.000 0.150 0.000 0.947 628 Q CA -1.655 54.191 55.803 0.070 0.000 0.812 628 Q CB 1.817 30.549 28.738 -0.011 0.000 1.333 628 Q HN 0.070 nan 8.270 nan 0.000 0.430 629 P HA 0.144 nan 4.420 nan 0.000 0.292 629 P C -0.450 177.025 177.300 0.291 0.000 1.287 629 P CA -0.202 63.042 63.100 0.240 0.000 0.800 629 P CB 1.672 33.543 31.700 0.284 0.000 0.945 630 S N 3.266 119.084 115.700 0.196 0.000 2.513 630 S HA 0.594 5.064 4.470 0.000 0.000 0.276 630 S C -0.371 174.295 174.600 0.111 0.000 1.254 630 S CA -0.079 58.162 58.200 0.068 0.000 1.053 630 S CB -0.218 62.955 63.200 -0.044 0.000 0.958 630 S HN 0.538 nan 8.310 nan 0.000 0.491 631 Y N 0.107 120.338 120.300 -0.115 0.000 2.689 631 Y HA 0.722 5.272 4.550 0.000 0.000 0.333 631 Y C -1.709 174.080 175.900 -0.185 0.000 1.208 631 Y CA -1.461 56.500 58.100 -0.232 0.000 1.055 631 Y CB 0.723 38.890 38.460 -0.487 0.000 1.304 631 Y HN 0.415 nan 8.280 nan 0.000 0.455 632 I N 2.196 122.720 120.570 -0.077 0.000 2.389 632 I HA 0.295 4.465 4.170 0.000 0.000 0.288 632 I C -0.185 175.977 176.117 0.076 0.000 0.999 632 I CA -0.919 60.322 61.300 -0.099 0.000 1.129 632 I CB 2.013 39.949 38.000 -0.107 0.000 1.288 632 I HN 0.727 nan 8.210 nan 0.000 0.444 633 S N 6.973 122.748 115.700 0.126 0.000 2.437 633 S HA 0.234 4.704 4.470 0.000 0.000 0.304 633 S C -0.465 174.184 174.600 0.080 0.000 1.167 633 S CA -0.475 57.829 58.200 0.172 0.000 1.106 633 S CB -0.270 63.060 63.200 0.217 0.000 1.099 633 S HN 0.353 nan 8.310 nan 0.000 0.524 634 L N 8.645 129.920 121.223 0.088 0.000 2.276 634 L HA 0.486 4.826 4.340 0.000 0.000 0.286 634 L C -1.970 174.946 176.870 0.077 0.000 1.061 634 L CA -1.879 53.017 54.840 0.094 0.000 0.807 634 L CB 1.283 43.435 42.059 0.154 0.000 1.177 634 L HN 0.397 nan 8.230 nan 0.000 0.429 635 P HA 0.063 nan 4.420 nan 0.000 0.230 635 P C -0.468 176.829 177.300 -0.005 0.000 1.791 635 P CA -0.094 62.999 63.100 -0.012 0.000 1.020 635 P CB 0.044 31.709 31.700 -0.058 0.000 1.977 636 V N 3.514 123.436 119.914 0.013 0.000 2.775 636 V HA 0.226 4.346 4.120 0.000 0.000 0.299 636 V C 1.268 177.335 176.094 -0.045 0.000 1.062 636 V CA 0.100 62.401 62.300 0.002 0.000 1.063 636 V CB 0.421 32.221 31.823 -0.039 0.000 0.994 636 V HN 0.490 nan 8.190 nan 0.000 0.483 637 R N 0.000 120.476 120.500 -0.039 0.000 2.786 637 R HA 0.000 4.340 4.340 0.000 0.000 0.208 637 R CA 0.000 56.068 56.100 -0.053 0.000 0.921 637 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 637 R HN 0.000 nan 8.270 nan 0.000 0.535