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 2b9v_1_H DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 4.665 125.075 120.400 0.017 0.000 2.358 51 D HA 0.129 4.769 4.640 0.000 0.000 0.258 51 D C -1.175 175.108 176.300 -0.028 0.000 1.223 51 D CA -1.939 52.044 54.000 -0.029 0.000 0.886 51 D CB 1.301 42.102 40.800 0.001 0.000 1.120 51 D HN 0.285 nan 8.370 nan 0.000 0.482 52 P HA -0.073 nan 4.420 nan 0.000 0.223 52 P C 1.187 178.482 177.300 -0.008 0.000 1.151 52 P CA 0.605 63.681 63.100 -0.041 0.000 0.787 52 P CB 0.260 31.918 31.700 -0.070 0.000 0.788 53 L N -1.301 119.916 121.223 -0.010 0.000 2.645 53 L HA 0.131 4.471 4.340 0.000 0.000 0.235 53 L C 1.535 178.409 176.870 0.006 0.000 1.150 53 L CA 0.479 55.318 54.840 -0.002 0.000 0.911 53 L CB -0.310 41.746 42.059 -0.006 0.000 1.077 53 L HN -0.041 nan 8.230 nan 0.000 0.438 54 S N -2.073 113.636 115.700 0.014 0.000 2.917 54 S HA 0.178 4.648 4.470 0.000 0.000 0.269 54 S C 0.266 174.885 174.600 0.032 0.000 1.072 54 S CA -0.221 57.991 58.200 0.020 0.000 0.967 54 S CB 1.221 64.432 63.200 0.019 0.000 0.906 54 S HN -0.047 nan 8.310 nan 0.000 0.463 55 V N 3.171 123.116 119.914 0.052 0.000 2.378 55 V HA 0.595 4.715 4.120 0.000 0.000 0.288 55 V C -0.721 175.427 176.094 0.090 0.000 1.016 55 V CA -0.505 61.837 62.300 0.070 0.000 0.840 55 V CB 1.417 33.302 31.823 0.102 0.000 0.994 55 V HN 0.240 nan 8.190 nan 0.000 0.431 56 Q N 3.172 123.008 119.800 0.060 0.000 2.347 56 Q HA 0.441 4.781 4.340 0.000 0.000 0.262 56 Q C 0.626 176.653 176.000 0.045 0.000 0.980 56 Q CA -0.010 55.827 55.803 0.057 0.000 0.867 56 Q CB 1.722 30.480 28.738 0.034 0.000 1.242 56 Q HN 0.883 nan 8.270 nan 0.000 0.453 57 T N -0.115 114.473 114.554 0.057 0.000 3.023 57 T HA 0.396 4.746 4.350 0.000 0.000 0.253 57 T C 0.817 175.530 174.700 0.022 0.000 1.038 57 T CA 0.248 62.360 62.100 0.020 0.000 0.962 57 T CB 0.513 69.369 68.868 -0.021 0.000 1.018 57 T HN 0.461 nan 8.240 nan 0.000 0.521 58 G N 1.153 109.975 108.800 0.036 0.000 2.945 58 G HA2 0.538 4.498 3.960 0.000 0.000 0.156 58 G HA3 0.538 4.498 3.960 0.000 0.000 0.156 58 G C -0.671 174.241 174.900 0.019 0.000 1.375 58 G CA -0.457 44.660 45.100 0.028 0.000 1.039 58 G HN 0.365 nan 8.290 nan 0.000 0.586 59 S N -1.201 114.509 115.700 0.017 0.000 2.578 59 S HA 0.419 4.889 4.470 0.000 0.000 0.301 59 S C -0.155 174.453 174.600 0.013 0.000 1.091 59 S CA -0.592 57.615 58.200 0.013 0.000 1.032 59 S CB 1.623 64.830 63.200 0.011 0.000 1.064 59 S HN 0.334 nan 8.310 nan 0.000 0.508 60 D N 2.111 122.518 120.400 0.011 0.000 2.339 60 D HA 0.242 4.882 4.640 0.000 0.000 0.217 60 D C -0.050 176.255 176.300 0.008 0.000 1.050 60 D CA 0.395 54.401 54.000 0.010 0.000 0.856 60 D CB 0.114 40.920 40.800 0.009 0.000 0.922 60 D HN 0.488 nan 8.370 nan 0.000 0.518 61 I N 3.177 123.752 120.570 0.008 0.000 2.301 61 I HA 0.146 4.316 4.170 0.000 0.000 0.292 61 I C -1.506 174.616 176.117 0.008 0.000 1.046 61 I CA -1.617 59.688 61.300 0.008 0.000 1.282 61 I CB 0.781 38.785 38.000 0.007 0.000 1.409 61 I HN -0.220 nan 8.210 nan 0.000 0.484 73 R N 2.155 122.586 120.500 -0.114 0.000 2.641 73 R HA 0.038 4.378 4.340 0.000 0.000 0.269 73 R C 0.246 176.473 176.300 -0.121 0.000 1.074 73 R CA 0.679 56.669 56.100 -0.182 0.000 1.133 73 R CB 0.265 30.265 30.300 -0.500 0.000 1.029 73 R HN 0.133 nan 8.270 nan 0.000 0.488 74 D N 0.970 121.362 120.400 -0.012 0.000 2.388 74 D HA 0.013 4.653 4.640 0.000 0.000 0.221 74 D C -0.498 175.894 176.300 0.153 0.000 1.133 74 D CA -0.091 53.949 54.000 0.067 0.000 0.831 74 D CB -0.151 40.711 40.800 0.103 0.000 0.962 74 D HN 0.494 nan 8.370 nan 0.000 0.502 75 Y N -1.199 119.115 120.300 0.024 0.000 2.670 75 Y HA 0.579 5.129 4.550 0.000 0.000 0.334 75 Y C -1.284 174.632 175.900 0.028 0.000 1.185 75 Y CA -1.881 56.236 58.100 0.029 0.000 1.053 75 Y CB 1.031 39.514 38.460 0.037 0.000 1.298 75 Y HN -0.055 nan 8.280 nan 0.000 0.459 76 I N 0.276 120.952 120.570 0.177 0.000 2.608 76 I HA 0.678 4.848 4.170 0.000 0.000 0.295 76 I C -1.471 174.795 176.117 0.248 0.000 1.049 76 I CA -1.065 60.286 61.300 0.086 0.000 1.063 76 I CB 2.336 40.357 38.000 0.036 0.000 1.248 76 I HN 0.784 nan 8.210 nan 0.000 0.424 77 K N 5.848 126.375 120.400 0.212 0.000 2.323 77 K HA 0.579 4.900 4.320 0.000 0.000 0.259 77 K C -1.076 175.594 176.600 0.116 0.000 0.947 77 K CA -0.686 55.726 56.287 0.208 0.000 0.819 77 K CB 1.716 34.377 32.500 0.268 0.000 1.109 77 K HN 0.755 nan 8.250 nan 0.000 0.429 78 R N 2.656 123.209 120.500 0.088 0.000 2.637 78 R HA 0.274 4.614 4.340 0.000 0.000 0.291 78 R C -0.908 175.394 176.300 0.002 0.000 0.963 78 R CA -0.760 55.374 56.100 0.057 0.000 0.901 78 R CB 1.958 32.302 30.300 0.073 0.000 1.160 78 R HN 0.597 nan 8.270 nan 0.000 0.457 79 E N 2.046 122.232 120.200 -0.023 0.000 2.165 79 E HA 0.402 4.752 4.350 0.000 0.000 0.266 79 E C -1.022 175.500 176.600 -0.130 0.000 0.889 79 E CA -0.705 55.608 56.400 -0.144 0.000 0.756 79 E CB 2.287 31.973 29.700 -0.023 0.000 1.131 79 E HN 0.132 nan 8.360 nan 0.000 0.411 80 V N 2.742 122.508 119.914 -0.245 0.000 2.962 80 V HA 0.402 4.522 4.120 0.000 0.000 0.313 80 V C -0.475 175.453 176.094 -0.277 0.000 1.099 80 V CA -1.070 61.105 62.300 -0.209 0.000 0.971 80 V CB 2.129 33.798 31.823 -0.257 0.000 1.028 80 V HN 0.693 nan 8.190 nan 0.000 0.430 81 M N 3.018 122.498 119.600 -0.200 0.000 2.055 81 M HA 0.410 4.890 4.480 0.000 0.000 0.347 81 M C -0.715 175.404 176.300 -0.301 0.000 1.123 81 M CA -0.397 54.805 55.300 -0.163 0.000 1.035 81 M CB 0.953 33.528 32.600 -0.042 0.000 1.484 81 M HN 0.381 nan 8.290 nan 0.000 0.428 82 V N 7.348 127.016 119.914 -0.410 0.000 2.408 82 V HA 0.288 4.409 4.120 0.000 0.000 0.267 82 V C -1.865 174.074 176.094 -0.258 0.000 1.047 82 V CA -1.261 60.692 62.300 -0.579 0.000 0.937 82 V CB 0.885 32.308 31.823 -0.666 0.000 0.999 82 V HN 0.563 nan 8.190 nan 0.000 0.472 83 P HA 0.297 nan 4.420 nan 0.000 0.280 83 P C -0.506 176.800 177.300 0.010 0.000 1.244 83 P CA -0.444 62.631 63.100 -0.041 0.000 0.784 83 P CB 0.997 32.700 31.700 0.005 0.000 0.913 84 M N 2.876 122.495 119.600 0.033 0.000 2.219 84 M HA 0.248 4.728 4.480 0.000 0.000 0.280 84 M C 2.135 178.477 176.300 0.071 0.000 1.189 84 M CA -0.590 54.750 55.300 0.067 0.000 1.010 84 M CB 0.161 32.801 32.600 0.067 0.000 1.422 84 M HN 0.408 nan 8.290 nan 0.000 0.504 85 R N 0.638 121.184 120.500 0.076 0.000 2.159 85 R HA -0.156 4.184 4.340 0.000 0.000 0.237 85 R C 0.467 176.789 176.300 0.037 0.000 1.131 85 R CA 1.913 58.045 56.100 0.055 0.000 0.982 85 R CB -0.592 29.726 30.300 0.031 0.000 0.868 85 R HN 0.669 nan 8.270 nan 0.000 0.453 86 D N -0.852 119.571 120.400 0.038 0.000 2.339 86 D HA 0.106 4.746 4.640 0.000 0.000 0.217 86 D C 1.171 177.491 176.300 0.033 0.000 1.050 86 D CA 0.577 54.596 54.000 0.032 0.000 0.856 86 D CB 0.545 41.365 40.800 0.034 0.000 0.922 86 D HN 0.437 nan 8.370 nan 0.000 0.518 87 G N -0.210 108.611 108.800 0.036 0.000 2.234 87 G HA2 -0.275 3.686 3.960 0.000 0.000 0.235 87 G HA3 -0.275 3.686 3.960 0.000 0.000 0.235 87 G C 0.247 175.165 174.900 0.030 0.000 0.997 87 G CA 0.070 45.189 45.100 0.032 0.000 0.623 87 G HN 0.366 nan 8.290 nan 0.000 0.514 88 V N 2.191 122.126 119.914 0.035 0.000 2.599 88 V HA 0.312 4.433 4.120 0.000 0.000 0.300 88 V C 0.728 176.839 176.094 0.028 0.000 1.034 88 V CA 0.592 62.914 62.300 0.036 0.000 1.115 88 V CB 1.137 32.989 31.823 0.049 0.000 0.934 88 V HN 0.369 nan 8.190 nan 0.000 0.485 89 K N 5.934 126.346 120.400 0.021 0.000 2.185 89 K HA 0.635 4.955 4.320 0.000 0.000 0.269 89 K C -1.027 175.583 176.600 0.018 0.000 0.987 89 K CA -0.506 55.782 56.287 0.000 0.000 0.865 89 K CB 1.583 34.080 32.500 -0.006 0.000 1.090 89 K HN 0.490 nan 8.250 nan 0.000 0.450 90 L N 3.308 124.526 121.223 -0.008 0.000 2.307 90 L HA 0.328 4.668 4.340 0.000 0.000 0.284 90 L C -0.370 176.518 176.870 0.029 0.000 1.023 90 L CA -1.183 53.677 54.840 0.033 0.000 0.810 90 L CB 0.566 42.643 42.059 0.030 0.000 1.231 90 L HN 0.564 nan 8.230 nan 0.000 0.423 91 Y N 2.833 123.122 120.300 -0.018 0.000 2.605 91 Y HA 0.096 4.646 4.550 0.000 0.000 0.336 91 Y C -0.109 175.783 175.900 -0.013 0.000 1.111 91 Y CA 0.300 58.390 58.100 -0.016 0.000 1.422 91 Y CB 0.474 38.944 38.460 0.017 0.000 1.193 91 Y HN 0.489 nan 8.280 nan 0.000 0.526 92 T N 6.564 120.812 114.554 -0.511 0.000 2.841 92 T HA 0.486 4.836 4.350 0.000 0.000 0.285 92 T C -1.066 173.368 174.700 -0.444 0.000 0.991 92 T CA -0.689 61.198 62.100 -0.354 0.000 0.966 92 T CB 1.087 69.791 68.868 -0.273 0.000 0.962 92 T HN 0.371 nan 8.240 nan 0.000 0.438 93 V N 4.625 124.399 119.914 -0.233 0.000 2.398 93 V HA 0.554 4.674 4.120 0.000 0.000 0.286 93 V C -0.477 175.627 176.094 0.015 0.000 1.026 93 V CA -0.805 61.426 62.300 -0.115 0.000 0.868 93 V CB 1.191 33.023 31.823 0.015 0.000 0.982 93 V HN 0.771 nan 8.190 nan 0.000 0.443 94 I N 5.123 125.710 120.570 0.028 0.000 2.410 94 I HA 0.441 4.611 4.170 0.000 0.000 0.286 94 I C -0.397 175.774 176.117 0.090 0.000 1.009 94 I CA -0.427 60.911 61.300 0.064 0.000 1.111 94 I CB 1.959 40.006 38.000 0.078 0.000 1.262 94 I HN 0.279 nan 8.210 nan 0.000 0.443 95 V N 7.503 127.472 119.914 0.091 0.000 2.328 95 V HA 0.480 4.600 4.120 0.000 0.000 0.278 95 V C 0.026 176.180 176.094 0.101 0.000 1.021 95 V CA -0.386 61.974 62.300 0.100 0.000 0.838 95 V CB 1.114 32.953 31.823 0.026 0.000 0.999 95 V HN 0.483 nan 8.190 nan 0.000 0.447 96 I N 7.262 127.917 120.570 0.141 0.000 2.406 96 I HA 0.434 4.604 4.170 0.000 0.000 0.290 96 I C -2.469 173.734 176.117 0.143 0.000 0.999 96 I CA -2.294 59.074 61.300 0.113 0.000 1.124 96 I CB 2.520 40.571 38.000 0.085 0.000 1.289 96 I HN 0.390 nan 8.210 nan 0.000 0.441 97 P HA 0.106 nan 4.420 nan 0.000 0.271 97 P C -0.706 176.646 177.300 0.087 0.000 1.216 97 P CA -0.407 62.764 63.100 0.118 0.000 0.776 97 P CB 0.511 32.263 31.700 0.087 0.000 0.881 98 K N 2.301 122.750 120.400 0.081 0.000 2.469 98 K HA -0.021 4.299 4.320 0.000 0.000 0.274 98 K C 0.418 177.035 176.600 0.029 0.000 0.983 98 K CA 0.478 56.789 56.287 0.041 0.000 0.974 98 K CB -0.514 31.999 32.500 0.022 0.000 0.913 98 K HN 0.436 nan 8.250 nan 0.000 0.493 99 N N -0.250 118.459 118.700 0.016 0.000 2.721 99 N HA -0.256 4.484 4.740 0.000 0.000 0.249 99 N C -1.289 174.225 175.510 0.007 0.000 1.072 99 N CA 0.661 53.715 53.050 0.007 0.000 0.710 99 N CB -0.686 37.804 38.487 0.005 0.000 0.993 99 N HN 0.593 nan 8.380 nan 0.000 0.547 100 A N 0.650 123.476 122.820 0.010 0.000 2.331 100 A HA 0.700 5.020 4.320 0.000 0.000 0.283 100 A C 0.513 178.089 177.584 -0.014 0.000 1.142 100 A CA -0.125 51.913 52.037 0.002 0.000 0.812 100 A CB 0.821 19.828 19.000 0.012 0.000 1.074 100 A HN 0.368 nan 8.150 nan 0.000 0.497 101 R N 1.687 122.171 120.500 -0.027 0.000 2.522 101 R HA 0.359 4.699 4.340 0.000 0.000 0.283 101 R C -0.830 175.438 176.300 -0.052 0.000 1.074 101 R CA -0.389 55.689 56.100 -0.036 0.000 0.925 101 R CB 0.743 31.025 30.300 -0.030 0.000 1.205 101 R HN 0.986 nan 8.270 nan 0.000 0.436 102 N N 0.872 119.534 118.700 -0.063 0.000 2.738 102 N HA -0.251 4.489 4.740 0.000 0.000 0.249 102 N C -1.151 174.297 175.510 -0.103 0.000 1.047 102 N CA 0.750 53.752 53.050 -0.080 0.000 0.707 102 N CB -0.568 37.875 38.487 -0.073 0.000 0.937 102 N HN 0.579 nan 8.380 nan 0.000 0.545 103 A N 0.369 123.125 122.820 -0.107 0.000 2.306 103 A HA 0.698 5.018 4.320 0.000 0.000 0.314 103 A C -2.034 175.436 177.584 -0.190 0.000 1.164 103 A CA -1.410 50.537 52.037 -0.150 0.000 0.822 103 A CB 0.924 19.863 19.000 -0.102 0.000 1.130 103 A HN 0.082 nan 8.150 nan 0.000 0.496 104 P HA 0.359 nan 4.420 nan 0.000 0.274 104 P C -0.789 176.414 177.300 -0.162 0.000 1.237 104 P CA 0.003 62.924 63.100 -0.298 0.000 0.793 104 P CB 0.769 32.161 31.700 -0.513 0.000 0.977 105 I N 1.758 122.295 120.570 -0.056 0.000 2.377 105 I HA 0.270 4.440 4.170 0.000 0.000 0.293 105 I C 0.099 176.246 176.117 0.049 0.000 0.987 105 I CA -0.919 60.383 61.300 0.003 0.000 1.185 105 I CB 1.437 39.416 38.000 -0.035 0.000 1.341 105 I HN 0.155 nan 8.210 nan 0.000 0.455 106 L N 7.899 129.136 121.223 0.023 0.000 2.298 106 L HA 0.542 4.882 4.340 0.000 0.000 0.284 106 L C -1.082 175.683 176.870 -0.176 0.000 1.013 106 L CA -0.387 54.393 54.840 -0.100 0.000 0.824 106 L CB 1.348 43.192 42.059 -0.358 0.000 1.221 106 L HN 0.470 nan 8.230 nan 0.000 0.418 107 L N 4.607 125.745 121.223 -0.142 0.000 2.334 107 L HA 0.798 5.138 4.340 0.000 0.000 0.276 107 L C -0.651 176.108 176.870 -0.184 0.000 1.014 107 L CA 0.336 55.074 54.840 -0.170 0.000 0.815 107 L CB 2.211 44.218 42.059 -0.086 0.000 1.268 107 L HN 0.651 nan 8.230 nan 0.000 0.428 108 T N 4.526 118.922 114.554 -0.265 0.000 2.916 108 T HA 0.578 4.928 4.350 0.000 0.000 0.298 108 T C -0.788 173.912 174.700 -0.001 0.000 1.031 108 T CA -0.627 61.382 62.100 -0.152 0.000 0.993 108 T CB 1.351 70.060 68.868 -0.266 0.000 1.045 108 T HN 0.545 nan 8.240 nan 0.000 0.454 109 R N 1.470 122.031 120.500 0.102 0.000 2.387 109 R HA 0.752 5.092 4.340 0.000 0.000 0.314 109 R C -0.447 175.987 176.300 0.223 0.000 0.958 109 R CA -0.800 55.395 56.100 0.159 0.000 0.846 109 R CB 1.874 32.264 30.300 0.150 0.000 1.147 109 R HN 0.523 nan 8.270 nan 0.000 0.447 110 T N 2.130 116.805 114.554 0.203 0.000 2.909 110 T HA 0.438 4.788 4.350 0.000 0.000 0.299 110 T C -2.358 172.318 174.700 -0.039 0.000 1.073 110 T CA -2.079 60.101 62.100 0.132 0.000 0.999 110 T CB 1.850 70.851 68.868 0.223 0.000 1.098 110 T HN 0.365 nan 8.240 nan 0.000 0.477 111 P HA 0.258 nan 4.420 nan 0.000 0.266 111 P C -0.543 176.507 177.300 -0.416 0.000 1.381 111 P CA -0.064 62.728 63.100 -0.513 0.000 0.940 111 P CB -0.087 30.985 31.700 -1.046 0.000 1.435 112 Y N 0.442 120.740 120.300 -0.004 0.000 2.774 112 Y HA 0.327 4.878 4.550 0.000 0.000 0.305 112 Y C 0.472 176.183 175.900 -0.315 0.000 1.067 112 Y CA -1.462 56.598 58.100 -0.067 0.000 1.304 112 Y CB -1.092 37.373 38.460 0.008 0.000 1.209 112 Y HN 0.063 nan 8.280 nan 0.000 0.543 113 N N 0.424 118.837 118.700 -0.478 0.000 2.411 113 N HA -0.207 4.533 4.740 0.000 0.000 0.286 113 N C 0.878 176.214 175.510 -0.289 0.000 1.382 113 N CA 0.247 52.829 53.050 -0.780 0.000 0.630 113 N CB -0.161 37.614 38.487 -1.187 0.000 0.904 113 N HN 0.535 nan 8.380 nan 0.000 0.516 114 A N 3.668 126.442 122.820 -0.078 0.000 1.940 114 A HA -0.217 4.103 4.320 0.000 0.000 0.219 114 A C 1.968 179.567 177.584 0.025 0.000 1.176 114 A CA 1.925 53.999 52.037 0.062 0.000 0.631 114 A CB -0.252 18.908 19.000 0.267 0.000 0.814 114 A HN 0.767 nan 8.150 nan 0.000 0.446 115 K N -0.780 119.667 120.400 0.078 0.000 2.057 115 K HA -0.093 4.227 4.320 0.000 0.000 0.207 115 K C 1.996 178.558 176.600 -0.062 0.000 1.049 115 K CA 1.361 57.697 56.287 0.081 0.000 0.931 115 K CB -0.456 32.060 32.500 0.027 0.000 0.714 115 K HN 0.394 nan 8.250 nan 0.000 0.440 116 G N 0.795 109.507 108.800 -0.147 0.000 2.403 116 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 116 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 116 G C 1.417 176.187 174.900 -0.217 0.000 1.154 116 G CA 0.005 45.009 45.100 -0.160 0.000 0.784 116 G HN 0.145 nan 8.290 nan 0.000 0.538 117 R N 0.965 121.269 120.500 -0.328 0.000 2.105 117 R HA 0.002 4.342 4.340 0.000 0.000 0.239 117 R C 2.353 178.219 176.300 -0.723 0.000 1.135 117 R CA 1.130 56.888 56.100 -0.570 0.000 0.967 117 R CB -0.791 28.986 30.300 -0.871 0.000 0.861 117 R HN 0.340 nan 8.270 nan 0.000 0.442 118 A N 0.671 123.156 122.820 -0.560 0.000 2.370 118 A HA 0.104 4.424 4.320 0.000 0.000 0.238 118 A C 0.262 177.758 177.584 -0.148 0.000 1.289 118 A CA -0.058 51.800 52.037 -0.298 0.000 0.885 118 A CB -0.016 18.934 19.000 -0.083 0.000 0.961 118 A HN 0.077 nan 8.150 nan 0.000 0.499 119 N N -0.042 118.572 118.700 -0.143 0.000 2.646 119 N HA 0.109 4.849 4.740 0.000 0.000 0.303 119 N C 1.029 176.498 175.510 -0.069 0.000 1.921 119 N CA -0.278 52.727 53.050 -0.075 0.000 0.872 119 N CB 0.186 38.647 38.487 -0.044 0.000 1.327 119 N HN 0.381 nan 8.380 nan 0.000 0.492 120 R N -0.259 120.196 120.500 -0.076 0.000 2.094 120 R HA -0.020 4.320 4.340 0.000 0.000 0.239 120 R C -0.239 176.048 176.300 -0.022 0.000 1.137 120 R CA 1.343 57.416 56.100 -0.046 0.000 0.943 120 R CB 0.007 30.286 30.300 -0.034 0.000 0.850 120 R HN -0.000 nan 8.270 nan 0.000 0.433 121 V N 4.422 124.327 119.914 -0.015 0.000 2.313 121 V HA 0.250 4.370 4.120 0.000 0.000 0.278 121 V C -2.244 173.857 176.094 0.011 0.000 1.017 121 V CA -1.871 60.430 62.300 0.003 0.000 0.823 121 V CB 1.459 33.289 31.823 0.012 0.000 1.010 121 V HN 0.236 nan 8.190 nan 0.000 0.443 122 P HA 0.021 nan 4.420 nan 0.000 0.260 122 P C 0.256 177.585 177.300 0.048 0.000 1.185 122 P CA 0.526 63.639 63.100 0.022 0.000 0.763 122 P CB -0.106 31.602 31.700 0.014 0.000 0.776 123 N N -0.389 118.357 118.700 0.076 0.000 2.721 123 N HA -0.202 4.538 4.740 0.000 0.000 0.249 123 N C 0.229 175.823 175.510 0.139 0.000 1.072 123 N CA 0.322 53.443 53.050 0.118 0.000 0.710 123 N CB -1.268 37.264 38.487 0.076 0.000 0.993 123 N HN 0.620 nan 8.380 nan 0.000 0.547 124 A N -0.066 122.846 122.820 0.154 0.000 2.429 124 A HA 0.265 4.585 4.320 0.000 0.000 0.242 124 A C 1.399 179.124 177.584 0.234 0.000 1.088 124 A CA -0.024 52.103 52.037 0.149 0.000 0.784 124 A CB 0.298 19.359 19.000 0.102 0.000 1.038 124 A HN 0.347 nan 8.150 nan 0.000 0.501 125 L N 0.177 121.493 121.223 0.155 0.000 2.341 125 L HA 0.050 4.390 4.340 0.000 0.000 0.214 125 L C 1.257 178.252 176.870 0.208 0.000 1.115 125 L CA 1.227 56.143 54.840 0.127 0.000 0.820 125 L CB -0.713 41.382 42.059 0.061 0.000 0.944 125 L HN 0.908 nan 8.230 nan 0.000 0.452 126 T N -4.604 110.094 114.554 0.239 0.000 2.887 126 T HA 0.278 4.628 4.350 0.000 0.000 0.288 126 T C 0.598 175.399 174.700 0.169 0.000 1.021 126 T CA -0.687 61.550 62.100 0.228 0.000 1.000 126 T CB 2.365 71.299 68.868 0.110 0.000 1.034 126 T HN -0.021 nan 8.240 nan 0.000 0.467 127 M N 0.627 120.302 119.600 0.125 0.000 2.229 127 M HA 0.015 4.496 4.480 0.000 0.000 0.264 127 M C 2.316 178.557 176.300 -0.098 0.000 1.063 127 M CA 1.352 56.555 55.300 -0.161 0.000 1.114 127 M CB -0.206 32.370 32.600 -0.041 0.000 1.387 127 M HN 0.749 nan 8.290 nan 0.000 0.420 128 R N 0.661 121.152 120.500 -0.014 0.000 2.096 128 R HA -0.133 4.207 4.340 0.000 0.000 0.235 128 R C 1.592 177.881 176.300 -0.017 0.000 1.127 128 R CA 2.057 58.152 56.100 -0.009 0.000 0.968 128 R CB -0.302 30.004 30.300 0.009 0.000 0.861 128 R HN 0.506 nan 8.270 nan 0.000 0.440 129 E N -0.961 119.233 120.200 -0.010 0.000 2.112 129 E HA -0.095 4.255 4.350 0.000 0.000 0.190 129 E C 1.829 178.408 176.600 -0.035 0.000 0.979 129 E CA 1.088 57.484 56.400 -0.007 0.000 0.814 129 E CB -0.006 29.706 29.700 0.021 0.000 0.762 129 E HN 0.122 nan 8.360 nan 0.000 0.460 130 V N 1.156 121.016 119.914 -0.091 0.000 2.667 130 V HA -0.035 4.085 4.120 0.000 0.000 0.252 130 V C 0.833 176.855 176.094 -0.121 0.000 1.065 130 V CA 0.763 62.982 62.300 -0.135 0.000 1.083 130 V CB 0.019 31.663 31.823 -0.299 0.000 0.692 130 V HN 0.067 nan 8.190 nan 0.000 0.468 131 L N 0.672 121.838 121.223 -0.096 0.000 2.375 131 L HA 0.416 4.756 4.340 0.000 0.000 0.268 131 L C -2.154 174.708 176.870 -0.012 0.000 1.058 131 L CA -1.996 52.826 54.840 -0.031 0.000 0.803 131 L CB 0.755 42.822 42.059 0.012 0.000 1.212 131 L HN 0.008 nan 8.230 nan 0.000 0.451 132 P HA -0.034 nan 4.420 nan 0.000 0.271 132 P C 0.024 177.318 177.300 -0.011 0.000 1.233 132 P CA -0.188 62.913 63.100 0.002 0.000 0.789 132 P CB 0.479 32.188 31.700 0.015 0.000 0.951 133 Q N 1.288 121.071 119.800 -0.028 0.000 2.135 133 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 133 Q C 1.948 177.903 176.000 -0.076 0.000 0.981 133 Q CA 2.231 58.011 55.803 -0.039 0.000 0.856 133 Q CB -0.958 27.781 28.738 0.001 0.000 0.902 133 Q HN 0.697 nan 8.270 nan 0.000 0.425 134 G N -0.135 108.577 108.800 -0.147 0.000 2.509 134 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 134 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 134 G C 0.557 175.451 174.900 -0.009 0.000 1.124 134 G CA 0.771 45.803 45.100 -0.113 0.000 0.776 134 G HN 0.364 nan 8.290 nan 0.000 0.547 135 D N 0.859 121.268 120.400 0.016 0.000 2.339 135 D HA 0.036 4.676 4.640 0.000 0.000 0.217 135 D C 1.927 178.251 176.300 0.040 0.000 1.050 135 D CA 0.458 54.503 54.000 0.075 0.000 0.856 135 D CB 0.108 40.947 40.800 0.064 0.000 0.922 135 D HN 0.405 nan 8.370 nan 0.000 0.518 136 D N 0.855 121.246 120.400 -0.014 0.000 2.106 136 D HA -0.207 4.433 4.640 0.000 0.000 0.191 136 D C 2.055 178.300 176.300 -0.091 0.000 0.997 136 D CA 1.773 55.755 54.000 -0.030 0.000 0.834 136 D CB -0.932 39.864 40.800 -0.007 0.000 0.956 136 D HN 0.272 nan 8.370 nan 0.000 0.448 137 V N -2.591 117.186 119.914 -0.229 0.000 2.759 137 V HA -0.075 4.045 4.120 0.000 0.000 0.256 137 V C 2.238 178.007 176.094 -0.543 0.000 1.080 137 V CA 1.093 63.143 62.300 -0.416 0.000 1.101 137 V CB -1.208 30.227 31.823 -0.647 0.000 0.698 137 V HN -0.001 nan 8.190 nan 0.000 0.477 138 F N 0.106 119.862 119.950 -0.324 0.000 2.473 138 F HA 0.202 4.729 4.527 0.000 0.000 0.294 138 F C 2.311 178.047 175.800 -0.107 0.000 1.103 138 F CA 0.991 58.755 58.000 -0.392 0.000 1.442 138 F CB -0.465 38.155 39.000 -0.633 0.000 1.097 138 F HN -0.017 nan 8.300 nan 0.000 0.547 139 V N -0.006 119.951 119.914 0.072 0.000 2.453 139 V HA -0.224 3.896 4.120 0.000 0.000 0.247 139 V C 2.017 178.146 176.094 0.058 0.000 1.048 139 V CA 1.788 64.131 62.300 0.070 0.000 1.049 139 V CB -0.528 31.315 31.823 0.033 0.000 0.672 139 V HN 0.298 nan 8.190 nan 0.000 0.457 140 E N 0.459 120.665 120.200 0.010 0.000 2.150 140 E HA -0.108 4.242 4.350 0.000 0.000 0.193 140 E C 2.212 178.832 176.600 0.032 0.000 0.985 140 E CA 1.082 57.484 56.400 0.005 0.000 0.814 140 E CB -0.348 29.333 29.700 -0.033 0.000 0.752 140 E HN 0.634 nan 8.360 nan 0.000 0.466 141 G N -0.114 108.727 108.800 0.068 0.000 2.813 141 G HA2 0.082 4.042 3.960 0.000 0.000 0.209 141 G HA3 0.082 4.042 3.960 0.000 0.000 0.209 141 G C 1.067 176.096 174.900 0.214 0.000 1.150 141 G CA 0.273 45.474 45.100 0.167 0.000 0.785 141 G HN 0.393 nan 8.290 nan 0.000 0.535 142 G N -1.431 107.486 108.800 0.195 0.000 2.137 142 G HA2 -0.290 3.670 3.960 0.000 0.000 0.237 142 G HA3 -0.290 3.670 3.960 0.000 0.000 0.237 142 G C 0.150 175.138 174.900 0.147 0.000 1.002 142 G CA 0.024 45.202 45.100 0.130 0.000 0.702 142 G HN 0.358 nan 8.290 nan 0.000 0.515 143 Y N -0.346 119.990 120.300 0.060 0.000 2.357 143 Y HA 0.556 5.106 4.550 0.000 0.000 0.340 143 Y C 1.552 177.462 175.900 0.017 0.000 1.260 143 Y CA -0.519 57.609 58.100 0.047 0.000 1.425 143 Y CB 0.492 38.997 38.460 0.075 0.000 1.326 143 Y HN 0.172 nan 8.280 nan 0.000 0.580 144 I N 2.710 123.362 120.570 0.137 0.000 2.396 144 I HA 0.301 4.471 4.170 0.000 0.000 0.292 144 I C -0.146 176.008 176.117 0.061 0.000 0.999 144 I CA -0.706 60.639 61.300 0.075 0.000 1.310 144 I CB 1.163 39.180 38.000 0.029 0.000 1.404 144 I HN 0.377 nan 8.210 nan 0.000 0.496 145 R N 5.134 125.653 120.500 0.032 0.000 2.387 145 R HA 0.640 4.980 4.340 0.000 0.000 0.314 145 R C -1.693 174.583 176.300 -0.040 0.000 0.958 145 R CA -0.475 55.603 56.100 -0.036 0.000 0.846 145 R CB 1.371 31.673 30.300 0.003 0.000 1.147 145 R HN 0.400 nan 8.270 nan 0.000 0.447 146 V N 5.558 125.378 119.914 -0.156 0.000 2.487 146 V HA 0.544 4.665 4.120 0.000 0.000 0.298 146 V C -0.931 174.997 176.094 -0.277 0.000 1.028 146 V CA -0.631 61.604 62.300 -0.108 0.000 0.860 146 V CB 1.498 33.285 31.823 -0.060 0.000 0.991 146 V HN 0.608 nan 8.190 nan 0.000 0.427 147 F N 2.908 122.855 119.950 -0.005 0.000 2.507 147 F HA 0.629 5.156 4.527 0.000 0.000 0.325 147 F C 0.119 175.925 175.800 0.011 0.000 1.116 147 F CA -0.288 57.721 58.000 0.015 0.000 0.930 147 F CB 1.983 40.998 39.000 0.024 0.000 1.146 147 F HN 0.421 nan 8.300 nan 0.000 0.447 148 Q N 2.806 122.725 119.800 0.197 0.000 2.323 148 Q HA 0.270 4.610 4.340 0.000 0.000 0.271 148 Q C -1.637 174.469 176.000 0.177 0.000 1.048 148 Q CA -0.963 54.922 55.803 0.137 0.000 0.792 148 Q CB 1.812 30.591 28.738 0.068 0.000 1.280 148 Q HN 0.493 nan 8.270 nan 0.000 0.441 149 D N 4.404 124.923 120.400 0.199 0.000 2.371 149 D HA 0.164 4.804 4.640 0.000 0.000 0.256 149 D C 0.492 176.884 176.300 0.153 0.000 1.193 149 D CA 0.086 54.197 54.000 0.186 0.000 0.881 149 D CB 0.448 41.385 40.800 0.229 0.000 1.143 149 D HN 0.540 nan 8.370 nan 0.000 0.473 150 I N -0.771 119.885 120.570 0.144 0.000 3.060 150 I HA 0.148 4.318 4.170 0.000 0.000 0.285 150 I C 0.872 177.089 176.117 0.168 0.000 1.190 150 I CA -0.793 60.612 61.300 0.175 0.000 1.363 150 I CB 0.638 38.785 38.000 0.244 0.000 1.396 150 I HN 0.164 nan 8.210 nan 0.000 0.607 151 R N 3.139 123.753 120.500 0.190 0.000 2.494 151 R HA 0.085 4.425 4.340 0.000 0.000 0.291 151 R C 1.006 177.435 176.300 0.216 0.000 0.953 151 R CA 1.295 57.501 56.100 0.176 0.000 1.098 151 R CB -0.330 30.075 30.300 0.174 0.000 0.911 151 R HN 1.167 nan 8.270 nan 0.000 0.407 152 G N 2.963 111.849 108.800 0.143 0.000 2.176 152 G HA2 -0.218 3.742 3.960 0.000 0.000 0.253 152 G HA3 -0.218 3.742 3.960 0.000 0.000 0.253 152 G C -0.385 174.505 174.900 -0.017 0.000 0.979 152 G CA 0.208 45.382 45.100 0.123 0.000 0.641 152 G HN 0.528 nan 8.290 nan 0.000 0.530 153 K N -0.792 119.576 120.400 -0.053 0.000 2.318 153 K HA 0.657 4.977 4.320 0.000 0.000 0.249 153 K C 0.981 177.567 176.600 -0.022 0.000 0.942 153 K CA -0.821 55.362 56.287 -0.173 0.000 0.808 153 K CB 1.469 33.835 32.500 -0.223 0.000 1.189 153 K HN 0.138 nan 8.250 nan 0.000 0.428 154 Y N 0.222 120.443 120.300 -0.131 0.000 2.767 154 Y HA -0.452 4.098 4.550 0.000 0.000 0.473 154 Y C 1.841 177.659 175.900 -0.136 0.000 1.106 154 Y CA 2.173 60.196 58.100 -0.128 0.000 2.834 154 Y CB -1.471 36.912 38.460 -0.127 0.000 1.131 154 Y HN 0.823 nan 8.280 nan 0.000 0.614 155 G N -0.197 108.601 108.800 -0.004 0.000 2.744 155 G HA2 0.187 4.147 3.960 0.000 0.000 0.211 155 G HA3 0.187 4.147 3.960 0.000 0.000 0.211 155 G C 0.205 175.131 174.900 0.043 0.000 1.143 155 G CA 0.733 45.756 45.100 -0.130 0.000 0.788 155 G HN 0.294 nan 8.290 nan 0.000 0.534 156 S N 0.151 115.903 115.700 0.087 0.000 2.610 156 S HA 0.382 4.852 4.470 0.000 0.000 0.273 156 S C 0.254 174.886 174.600 0.054 0.000 1.274 156 S CA -0.515 57.742 58.200 0.095 0.000 1.023 156 S CB 1.509 64.775 63.200 0.111 0.000 0.962 156 S HN 0.425 nan 8.310 nan 0.000 0.523 157 Q N 0.198 120.030 119.800 0.054 0.000 2.222 157 Q HA 0.644 4.984 4.340 0.000 0.000 0.211 157 Q C 0.590 176.624 176.000 0.056 0.000 1.013 157 Q CA -0.309 55.519 55.803 0.042 0.000 0.993 157 Q CB 0.674 29.434 28.738 0.037 0.000 1.151 157 Q HN 0.969 nan 8.270 nan 0.000 0.544 158 G N 0.525 109.357 108.800 0.053 0.000 2.655 158 G HA2 -0.135 3.825 3.960 0.000 0.000 0.680 158 G HA3 -0.135 3.825 3.960 0.000 0.000 0.680 158 G C -1.597 173.349 174.900 0.078 0.000 1.302 158 G CA -0.859 44.281 45.100 0.067 0.000 0.872 158 G HN 0.549 nan 8.290 nan 0.000 0.540 159 D N -0.245 120.208 120.400 0.088 0.000 2.177 159 D HA 0.480 5.120 4.640 0.000 0.000 0.247 159 D C -0.338 176.056 176.300 0.157 0.000 1.063 159 D CA 0.092 54.151 54.000 0.098 0.000 0.867 159 D CB 1.441 42.282 40.800 0.067 0.000 1.168 159 D HN 0.496 nan 8.370 nan 0.000 0.445 160 Y N 1.722 122.042 120.300 0.034 0.000 2.326 160 Y HA 0.403 4.953 4.550 0.000 0.000 0.337 160 Y C -0.919 175.022 175.900 0.068 0.000 1.023 160 Y CA -0.468 57.660 58.100 0.048 0.000 1.143 160 Y CB 0.835 39.303 38.460 0.014 0.000 1.183 160 Y HN 0.053 nan 8.280 nan 0.000 0.485 161 V N 8.271 127.849 119.914 -0.561 0.000 2.483 161 V HA 0.175 4.295 4.120 0.000 0.000 0.297 161 V C -0.162 175.523 176.094 -0.682 0.000 1.027 161 V CA -1.005 61.025 62.300 -0.451 0.000 0.855 161 V CB 1.306 33.059 31.823 -0.116 0.000 0.995 161 V HN 0.894 nan 8.190 nan 0.000 0.424 162 M N 5.672 124.892 119.600 -0.632 0.000 2.284 162 M HA 0.157 4.637 4.480 0.000 0.000 0.351 162 M C 0.957 177.141 176.300 -0.193 0.000 1.443 162 M CA 0.958 55.975 55.300 -0.472 0.000 1.031 162 M CB -0.380 31.696 32.600 -0.873 0.000 1.893 162 M HN 1.151 nan 8.290 nan 0.000 0.456 163 T N 2.569 117.066 114.554 -0.095 0.000 3.361 163 T HA -0.256 4.094 4.350 0.000 0.000 0.417 163 T C 0.111 174.826 174.700 0.026 0.000 0.769 163 T CA 0.946 62.809 62.100 -0.394 0.000 2.085 163 T CB -1.555 67.052 68.868 -0.435 0.000 1.689 163 T HN 0.968 nan 8.240 nan 0.000 0.639 164 R N 2.029 122.635 120.500 0.177 0.000 2.488 164 R HA 0.166 4.506 4.340 0.000 0.000 0.317 164 R C -1.987 174.464 176.300 0.252 0.000 0.941 164 R CA -1.122 55.091 56.100 0.188 0.000 1.076 164 R CB 0.229 30.643 30.300 0.190 0.000 0.917 164 R HN 0.355 nan 8.270 nan 0.000 0.407 165 P HA 0.091 nan 4.420 nan 0.000 0.270 165 P C -2.494 174.872 177.300 0.111 0.000 1.223 165 P CA -1.160 62.007 63.100 0.111 0.000 0.785 165 P CB 0.237 31.938 31.700 0.001 0.000 0.923 166 P HA 0.062 nan 4.420 nan 0.000 0.274 166 P C -0.383 176.969 177.300 0.087 0.000 1.246 166 P CA -0.082 63.076 63.100 0.097 0.000 0.795 166 P CB 0.159 31.909 31.700 0.083 0.000 1.006 167 H N -0.043 119.044 119.070 0.028 0.000 3.094 167 H HA 0.358 4.915 4.556 0.000 0.000 0.320 167 H C 0.829 176.163 175.328 0.010 0.000 1.000 167 H CA 2.367 58.425 56.048 0.017 0.000 1.413 167 H CB -0.489 29.280 29.762 0.010 0.000 1.405 167 H HN 0.793 nan 8.280 nan 0.000 0.586 168 G N 3.795 112.280 108.800 -0.525 0.000 2.398 168 G HA2 -0.068 3.892 3.960 0.000 0.000 0.251 168 G HA3 -0.068 3.892 3.960 0.000 0.000 0.251 168 G C -2.053 172.694 174.900 -0.256 0.000 1.277 168 G CA -0.332 44.569 45.100 -0.331 0.000 0.927 168 G HN 0.466 nan 8.290 nan 0.000 0.477 169 P HA 0.055 nan 4.420 nan 0.000 0.218 169 P C 1.638 178.884 177.300 -0.090 0.000 1.149 169 P CA 0.997 64.031 63.100 -0.109 0.000 0.817 169 P CB 0.118 31.768 31.700 -0.083 0.000 0.785 170 L N -1.772 119.395 121.223 -0.093 0.000 2.592 170 L HA 0.197 4.537 4.340 0.000 0.000 0.227 170 L C 0.673 177.520 176.870 -0.039 0.000 1.127 170 L CA 0.196 54.998 54.840 -0.064 0.000 0.884 170 L CB -0.463 41.530 42.059 -0.110 0.000 1.065 170 L HN 0.001 nan 8.230 nan 0.000 0.457 171 N N 0.172 118.833 118.700 -0.064 0.000 2.827 171 N HA 0.138 4.878 4.740 0.000 0.000 0.240 171 N C -2.429 173.035 175.510 -0.076 0.000 1.352 171 N CA -1.069 51.964 53.050 -0.027 0.000 0.760 171 N CB 1.254 39.755 38.487 0.024 0.000 1.426 171 N HN -0.254 nan 8.380 nan 0.000 0.561 172 P HA 0.078 nan 4.420 nan 0.000 0.253 172 P C 0.367 177.730 177.300 0.105 0.000 1.260 172 P CA 0.223 63.296 63.100 -0.045 0.000 0.800 172 P CB -0.162 31.521 31.700 -0.029 0.000 1.162 173 T N -2.527 112.106 114.554 0.132 0.000 2.770 173 T HA 0.229 4.579 4.350 0.000 0.000 0.281 173 T C 1.186 175.988 174.700 0.171 0.000 0.981 173 T CA -0.458 61.719 62.100 0.129 0.000 0.955 173 T CB 0.970 69.892 68.868 0.091 0.000 1.060 173 T HN -0.190 nan 8.240 nan 0.000 0.531 174 K N 0.533 120.977 120.400 0.073 0.000 2.426 174 K HA 0.123 4.443 4.320 0.000 0.000 0.193 174 K C 1.041 177.636 176.600 -0.008 0.000 1.028 174 K CA 0.336 56.620 56.287 -0.005 0.000 1.047 174 K CB -0.124 32.366 32.500 -0.017 0.000 0.821 174 K HN 0.904 nan 8.250 nan 0.000 0.513 175 T N -0.492 114.090 114.554 0.048 0.000 2.916 175 T HA 0.540 4.890 4.350 0.000 0.000 0.292 175 T C -0.860 173.895 174.700 0.092 0.000 1.055 175 T CA -0.877 61.256 62.100 0.056 0.000 1.009 175 T CB 2.623 71.529 68.868 0.063 0.000 1.118 175 T HN 0.068 nan 8.240 nan 0.000 0.497 176 D N -0.563 119.895 120.400 0.097 0.000 2.779 176 D HA 0.268 4.908 4.640 0.000 0.000 0.331 176 D C 0.599 176.973 176.300 0.123 0.000 1.331 176 D CA -0.693 53.378 54.000 0.119 0.000 0.866 176 D CB 0.114 40.988 40.800 0.124 0.000 1.409 176 D HN 0.346 nan 8.370 nan 0.000 0.486 177 E N -0.440 119.839 120.200 0.131 0.000 2.204 177 E HA -0.072 4.278 4.350 0.000 0.000 0.195 177 E C 1.563 178.218 176.600 0.092 0.000 0.990 177 E CA 1.487 57.960 56.400 0.122 0.000 0.821 177 E CB -0.464 29.301 29.700 0.108 0.000 0.750 177 E HN 0.592 nan 8.360 nan 0.000 0.477 178 T N 0.755 115.358 114.554 0.081 0.000 2.737 178 T HA -0.136 4.214 4.350 0.000 0.000 0.265 178 T C 2.159 176.956 174.700 0.162 0.000 1.038 178 T CA 2.171 64.333 62.100 0.103 0.000 1.144 178 T CB -0.467 68.453 68.868 0.085 0.000 0.866 178 T HN 0.429 nan 8.240 nan 0.000 0.434 179 T N 0.549 115.179 114.554 0.126 0.000 2.904 179 T HA -0.108 4.242 4.350 0.000 0.000 0.267 179 T C 1.582 176.404 174.700 0.203 0.000 1.059 179 T CA 1.160 63.344 62.100 0.140 0.000 1.137 179 T CB -0.436 68.458 68.868 0.044 0.000 0.879 179 T HN 0.114 nan 8.240 nan 0.000 0.467 180 D N 2.013 122.509 120.400 0.161 0.000 2.097 180 D HA 0.063 4.703 4.640 0.000 0.000 0.195 180 D C 2.485 178.884 176.300 0.166 0.000 0.989 180 D CA 1.532 55.624 54.000 0.153 0.000 0.827 180 D CB -0.686 40.196 40.800 0.137 0.000 0.966 180 D HN 0.571 nan 8.370 nan 0.000 0.456 181 A N -0.228 122.691 122.820 0.164 0.000 1.972 181 A HA -0.154 4.166 4.320 0.000 0.000 0.219 181 A C 2.162 179.847 177.584 0.168 0.000 1.169 181 A CA 1.134 53.252 52.037 0.136 0.000 0.635 181 A CB -1.116 17.949 19.000 0.108 0.000 0.810 181 A HN 0.373 nan 8.150 nan 0.000 0.446 182 W N 1.079 122.425 121.300 0.076 0.000 2.354 182 W HA -0.170 4.490 4.660 0.000 0.000 0.315 182 W C 1.478 178.061 176.519 0.107 0.000 1.206 182 W CA 1.887 59.306 57.345 0.123 0.000 1.290 182 W CB 0.034 29.571 29.460 0.129 0.000 1.152 182 W HN 0.369 nan 8.180 nan 0.000 0.489 183 D N -0.962 119.731 120.400 0.489 0.000 2.178 183 D HA -0.156 4.484 4.640 0.000 0.000 0.201 183 D C 2.119 178.527 176.300 0.180 0.000 0.980 183 D CA 1.978 56.193 54.000 0.359 0.000 0.842 183 D CB -0.820 40.148 40.800 0.279 0.000 0.948 183 D HN 0.136 nan 8.370 nan 0.000 0.472 184 T N 0.470 115.092 114.554 0.114 0.000 2.701 184 T HA -0.085 4.265 4.350 0.000 0.000 0.263 184 T C 2.269 176.980 174.700 0.018 0.000 1.040 184 T CA 0.832 62.972 62.100 0.067 0.000 1.147 184 T CB -0.370 68.522 68.868 0.040 0.000 0.865 184 T HN -0.036 nan 8.240 nan 0.000 0.426 185 V N 1.842 121.678 119.914 -0.130 0.000 2.392 185 V HA -0.190 3.931 4.120 0.000 0.000 0.249 185 V C 2.358 178.137 176.094 -0.526 0.000 1.059 185 V CA 1.924 64.027 62.300 -0.328 0.000 1.051 185 V CB -0.643 30.911 31.823 -0.448 0.000 0.658 185 V HN 0.468 nan 8.190 nan 0.000 0.455 186 D N -1.348 118.701 120.400 -0.585 0.000 2.117 186 D HA -0.242 4.398 4.640 0.000 0.000 0.197 186 D C 1.853 178.168 176.300 0.025 0.000 0.987 186 D CA 1.475 55.241 54.000 -0.391 0.000 0.829 186 D CB -0.198 40.539 40.800 -0.105 0.000 0.961 186 D HN 0.566 nan 8.370 nan 0.000 0.460 187 W N 0.599 121.856 121.300 -0.071 0.000 2.381 187 W HA -0.038 4.622 4.660 0.000 0.000 0.301 187 W C 1.969 178.478 176.519 -0.017 0.000 1.205 187 W CA 1.032 58.373 57.345 -0.006 0.000 1.285 187 W CB -0.255 29.201 29.460 -0.006 0.000 1.133 187 W HN -0.016 nan 8.180 nan 0.000 0.521 188 L N 0.310 121.675 121.223 0.236 0.000 2.042 188 L HA -0.247 4.093 4.340 0.000 0.000 0.210 188 L C 2.476 179.259 176.870 -0.145 0.000 1.076 188 L CA 1.726 56.615 54.840 0.081 0.000 0.749 188 L CB -1.411 40.689 42.059 0.069 0.000 0.893 188 L HN 0.077 nan 8.230 nan 0.000 0.432 189 V N -4.147 115.658 119.914 -0.181 0.000 2.970 189 V HA -0.186 3.934 4.120 0.000 0.000 0.260 189 V C 1.670 177.535 176.094 -0.382 0.000 1.100 189 V CA 1.405 63.546 62.300 -0.265 0.000 1.122 189 V CB -0.904 30.744 31.823 -0.292 0.000 0.721 189 V HN 0.445 nan 8.190 nan 0.000 0.483 190 H N 0.503 119.409 119.070 -0.274 0.000 2.575 190 H HA 0.355 4.911 4.556 0.000 0.000 0.267 190 H C 0.992 176.070 175.328 -0.416 0.000 0.966 190 H CA 0.872 56.747 56.048 -0.288 0.000 1.165 190 H CB 0.195 29.806 29.762 -0.251 0.000 1.433 190 H HN 0.544 nan 8.280 nan 0.000 0.544 191 N N -0.468 117.923 118.700 -0.515 0.000 2.240 191 N HA 0.155 4.895 4.740 0.000 0.000 0.240 191 N C -1.215 174.033 175.510 -0.436 0.000 1.277 191 N CA 0.073 52.717 53.050 -0.677 0.000 0.873 191 N CB 2.187 39.695 38.487 -1.632 0.000 1.222 191 N HN -0.106 nan 8.380 nan 0.000 0.507 192 V N 1.788 121.543 119.914 -0.266 0.000 2.315 192 V HA 0.275 4.396 4.120 0.000 0.000 0.265 192 V C -1.819 174.209 176.094 -0.111 0.000 1.019 192 V CA -1.214 61.008 62.300 -0.130 0.000 0.824 192 V CB 1.453 33.233 31.823 -0.071 0.000 1.072 192 V HN -0.026 nan 8.190 nan 0.000 0.448 193 P HA -0.116 nan 4.420 nan 0.000 0.219 193 P C 1.182 178.444 177.300 -0.064 0.000 1.146 193 P CA 1.046 64.098 63.100 -0.080 0.000 0.808 193 P CB 0.440 32.104 31.700 -0.061 0.000 0.779 194 E N -0.440 119.731 120.200 -0.049 0.000 2.347 194 E HA -0.040 4.310 4.350 0.000 0.000 0.196 194 E C 1.010 177.577 176.600 -0.055 0.000 1.008 194 E CA 0.371 56.747 56.400 -0.040 0.000 0.852 194 E CB -0.421 29.268 29.700 -0.018 0.000 0.783 194 E HN 0.334 nan 8.360 nan 0.000 0.505 195 S N 0.836 116.494 115.700 -0.070 0.000 2.669 195 S HA 0.142 4.612 4.470 0.000 0.000 0.270 195 S C 0.807 175.346 174.600 -0.102 0.000 1.225 195 S CA -0.557 57.591 58.200 -0.087 0.000 0.991 195 S CB 0.876 64.021 63.200 -0.092 0.000 0.987 195 S HN 0.170 nan 8.310 nan 0.000 0.552 196 N N -0.344 118.288 118.700 -0.113 0.000 2.280 196 N HA 0.204 4.945 4.740 0.000 0.000 0.192 196 N C 1.111 176.548 175.510 -0.121 0.000 1.109 196 N CA 0.367 53.349 53.050 -0.113 0.000 0.855 196 N CB -0.429 37.989 38.487 -0.114 0.000 0.974 196 N HN 1.373 nan 8.380 nan 0.000 0.482 197 G N 0.406 109.126 108.800 -0.133 0.000 2.160 197 G HA2 -0.281 3.679 3.960 0.000 0.000 0.251 197 G HA3 -0.281 3.679 3.960 0.000 0.000 0.251 197 G C -0.521 174.302 174.900 -0.128 0.000 1.008 197 G CA -0.046 44.964 45.100 -0.150 0.000 0.724 197 G HN 0.431 nan 8.290 nan 0.000 0.514 198 R N -0.496 119.934 120.500 -0.117 0.000 2.514 198 R HA 0.700 5.040 4.340 0.000 0.000 0.301 198 R C -0.635 175.604 176.300 -0.102 0.000 0.962 198 R CA -0.710 55.327 56.100 -0.104 0.000 0.882 198 R CB 2.386 32.625 30.300 -0.102 0.000 1.143 198 R HN 0.177 nan 8.270 nan 0.000 0.452 199 V N 0.837 120.691 119.914 -0.100 0.000 2.656 199 V HA 0.659 4.779 4.120 0.000 0.000 0.307 199 V C 0.270 176.301 176.094 -0.105 0.000 1.051 199 V CA -0.881 61.366 62.300 -0.088 0.000 0.893 199 V CB 2.267 34.031 31.823 -0.100 0.000 0.999 199 V HN 0.941 nan 8.190 nan 0.000 0.426 200 G N 3.453 112.210 108.800 -0.071 0.000 2.452 200 G HA2 0.747 4.707 3.960 0.000 0.000 0.324 200 G HA3 0.747 4.707 3.960 0.000 0.000 0.324 200 G C -1.029 173.898 174.900 0.045 0.000 1.214 200 G CA -0.691 44.342 45.100 -0.111 0.000 0.947 200 G HN 0.520 nan 8.290 nan 0.000 0.478 201 M N 1.155 120.807 119.600 0.087 0.000 2.456 201 M HA 0.579 5.059 4.480 0.000 0.000 0.324 201 M C -0.232 176.183 176.300 0.192 0.000 1.124 201 M CA -0.558 54.798 55.300 0.092 0.000 0.959 201 M CB 2.741 35.358 32.600 0.030 0.000 1.692 201 M HN 0.586 nan 8.290 nan 0.000 0.444 202 T N 1.022 115.637 114.554 0.102 0.000 2.792 202 T HA 0.904 5.254 4.350 0.000 0.000 0.303 202 T C -1.299 173.436 174.700 0.058 0.000 1.310 202 T CA -0.106 62.055 62.100 0.102 0.000 1.007 202 T CB 2.147 71.107 68.868 0.152 0.000 1.335 202 T HN 1.009 nan 8.240 nan 0.000 0.504 203 G N 0.820 109.666 108.800 0.076 0.000 2.358 203 G HA2 0.445 4.405 3.960 0.000 0.000 0.303 203 G HA3 0.445 4.405 3.960 0.000 0.000 0.303 203 G C -1.387 173.589 174.900 0.127 0.000 1.537 203 G CA 0.008 45.181 45.100 0.122 0.000 0.928 203 G HN 0.777 nan 8.290 nan 0.000 0.656 204 S N -0.321 115.474 115.700 0.159 0.000 2.568 204 S HA 0.855 5.325 4.470 0.000 0.000 0.302 204 S C 0.932 175.687 174.600 0.259 0.000 1.082 204 S CA 1.255 59.534 58.200 0.133 0.000 1.009 204 S CB 1.466 64.675 63.200 0.014 0.000 1.069 204 S HN 2.459 nan 8.310 nan 0.000 0.500 205 S N 1.967 117.849 115.700 0.302 0.000 4.140 205 S HA -0.324 4.146 4.470 0.000 0.000 0.618 205 S C 0.858 175.733 174.600 0.459 0.000 1.896 205 S CA 1.535 60.016 58.200 0.467 0.000 4.240 205 S CB -1.925 61.646 63.200 0.619 0.000 0.208 205 S HN 1.002 nan 8.310 nan 0.000 0.487 206 Y N 2.275 122.827 120.300 0.420 0.000 2.293 206 Y HA 0.063 4.613 4.550 0.000 0.000 0.291 206 Y C 2.433 178.569 175.900 0.394 0.000 1.137 206 Y CA 2.000 60.325 58.100 0.374 0.000 1.202 206 Y CB -0.133 38.507 38.460 0.299 0.000 0.990 206 Y HN 0.591 nan 8.280 nan 0.000 0.537 207 E N -0.902 119.640 120.200 0.569 0.000 2.268 207 E HA -0.128 4.222 4.350 0.000 0.000 0.195 207 E C 2.241 179.028 176.600 0.312 0.000 0.995 207 E CA 0.700 57.349 56.400 0.414 0.000 0.836 207 E CB -0.197 29.721 29.700 0.364 0.000 0.763 207 E HN 0.614 nan 8.360 nan 0.000 0.491 208 G N 0.874 109.863 108.800 0.314 0.000 2.408 208 G HA2 -0.231 3.729 3.960 0.000 0.000 0.215 208 G HA3 -0.231 3.729 3.960 0.000 0.000 0.215 208 G C 1.317 176.370 174.900 0.255 0.000 1.156 208 G CA 0.050 45.292 45.100 0.237 0.000 0.793 208 G HN 0.268 nan 8.290 nan 0.000 0.535 209 F N 3.090 123.133 119.950 0.154 0.000 2.126 209 F HA -0.189 4.338 4.527 0.000 0.000 0.299 209 F C 2.880 178.750 175.800 0.117 0.000 1.096 209 F CA 2.423 60.481 58.000 0.096 0.000 1.255 209 F CB -0.536 38.420 39.000 -0.073 0.000 0.997 209 F HN 0.196 nan 8.300 nan 0.000 0.479 210 T N -2.216 112.398 114.554 0.100 0.000 2.962 210 T HA -0.095 4.255 4.350 0.000 0.000 0.270 210 T C 1.905 176.596 174.700 -0.015 0.000 1.088 210 T CA 1.303 63.411 62.100 0.014 0.000 1.127 210 T CB -1.122 67.885 68.868 0.230 0.000 0.883 210 T HN 0.184 nan 8.240 nan 0.000 0.493 211 V N 1.157 121.085 119.914 0.024 0.000 2.346 211 V HA -0.078 4.042 4.120 0.000 0.000 0.244 211 V C 2.915 178.994 176.094 -0.025 0.000 1.037 211 V CA 1.104 63.407 62.300 0.004 0.000 1.029 211 V CB -0.665 31.159 31.823 0.002 0.000 0.663 211 V HN 0.366 nan 8.190 nan 0.000 0.454 212 V N -0.264 119.641 119.914 -0.015 0.000 2.287 212 V HA -0.320 3.800 4.120 0.000 0.000 0.248 212 V C 2.580 178.659 176.094 -0.026 0.000 1.053 212 V CA 2.041 64.368 62.300 0.045 0.000 1.027 212 V CB -0.654 31.262 31.823 0.155 0.000 0.646 212 V HN 0.411 nan 8.190 nan 0.000 0.447 213 M N -0.280 119.206 119.600 -0.190 0.000 2.149 213 M HA -0.157 4.323 4.480 0.000 0.000 0.261 213 M C 2.360 178.640 176.300 -0.032 0.000 1.064 213 M CA 2.197 57.390 55.300 -0.180 0.000 1.102 213 M CB -1.354 31.028 32.600 -0.363 0.000 1.369 213 M HN 0.447 nan 8.290 nan 0.000 0.408 214 A N 0.068 122.884 122.820 -0.007 0.000 1.930 214 A HA -0.069 4.251 4.320 0.000 0.000 0.217 214 A C 2.216 179.844 177.584 0.073 0.000 1.175 214 A CA 0.966 53.036 52.037 0.054 0.000 0.627 214 A CB -0.807 18.220 19.000 0.045 0.000 0.815 214 A HN 0.471 nan 8.150 nan 0.000 0.443 215 L N -0.236 121.020 121.223 0.054 0.000 2.353 215 L HA -0.140 4.200 4.340 0.000 0.000 0.220 215 L C 2.217 179.145 176.870 0.096 0.000 1.133 215 L CA 0.452 55.337 54.840 0.075 0.000 0.798 215 L CB -0.461 41.651 42.059 0.088 0.000 0.922 215 L HN 0.400 nan 8.230 nan 0.000 0.445 216 L N -0.745 120.532 121.223 0.089 0.000 2.131 216 L HA -0.124 4.216 4.340 0.000 0.000 0.210 216 L C 0.478 177.404 176.870 0.093 0.000 1.092 216 L CA 0.986 55.879 54.840 0.089 0.000 0.759 216 L CB -0.159 41.945 42.059 0.074 0.000 0.903 216 L HN 0.241 nan 8.230 nan 0.000 0.435 217 D N -0.730 119.740 120.400 0.117 0.000 2.752 217 D HA 0.178 4.818 4.640 0.000 0.000 0.242 217 D C -2.604 173.847 176.300 0.252 0.000 1.295 217 D CA -1.403 52.685 54.000 0.147 0.000 0.846 217 D CB 1.109 41.971 40.800 0.104 0.000 1.454 217 D HN -0.144 nan 8.370 nan 0.000 0.535 218 P HA 0.132 nan 4.420 nan 0.000 0.277 218 P C -0.029 177.387 177.300 0.194 0.000 1.240 218 P CA -0.275 62.934 63.100 0.181 0.000 0.798 218 P CB 0.725 32.474 31.700 0.081 0.000 0.979 219 H N 4.179 123.179 119.070 -0.116 0.000 2.732 219 H HA 0.072 4.628 4.556 0.000 0.000 0.351 219 H C -1.250 173.958 175.328 -0.199 0.000 1.090 219 H CA -1.286 54.482 56.048 -0.466 0.000 1.431 219 H CB 0.871 30.133 29.762 -0.833 0.000 1.447 219 H HN 0.229 nan 8.280 nan 0.000 0.582 220 P HA -0.121 nan 4.420 nan 0.000 0.221 220 P C 0.798 178.068 177.300 -0.050 0.000 1.145 220 P CA 1.369 64.367 63.100 -0.170 0.000 0.795 220 P CB 0.017 31.589 31.700 -0.213 0.000 0.775 221 A N -0.823 122.078 122.820 0.134 0.000 2.208 221 A HA 0.038 4.358 4.320 0.000 0.000 0.209 221 A C 1.111 178.683 177.584 -0.019 0.000 1.161 221 A CA -0.009 52.071 52.037 0.071 0.000 0.782 221 A CB -0.911 18.133 19.000 0.073 0.000 0.816 221 A HN 0.172 nan 8.150 nan 0.000 0.477 222 L N 0.733 121.946 121.223 -0.017 0.000 2.433 222 L HA 0.241 4.581 4.340 0.000 0.000 0.284 222 L C 0.683 177.490 176.870 -0.104 0.000 1.120 222 L CA 0.103 54.903 54.840 -0.068 0.000 0.879 222 L CB 0.183 42.215 42.059 -0.045 0.000 1.232 222 L HN 0.005 nan 8.230 nan 0.000 0.454 223 K N 3.595 123.909 120.400 -0.144 0.000 2.361 223 K HA 0.291 4.612 4.320 0.000 0.000 0.196 223 K C -0.185 176.219 176.600 -0.327 0.000 1.039 223 K CA 0.320 56.494 56.287 -0.187 0.000 1.001 223 K CB 0.395 32.817 32.500 -0.129 0.000 0.795 223 K HN 0.395 nan 8.250 nan 0.000 0.495 224 V N -0.628 119.071 119.914 -0.358 0.000 3.108 224 V HA 0.611 4.731 4.120 0.000 0.000 0.287 224 V C -2.099 173.786 176.094 -0.348 0.000 1.436 224 V CA -0.739 61.275 62.300 -0.477 0.000 1.001 224 V CB 2.074 33.429 31.823 -0.781 0.000 1.141 224 V HN 0.146 nan 8.190 nan 0.000 0.443 225 A N 4.159 126.921 122.820 -0.098 0.000 2.475 225 A HA 1.035 5.355 4.320 0.000 0.000 0.301 225 A C -0.437 177.275 177.584 0.213 0.000 1.059 225 A CA -0.153 51.928 52.037 0.075 0.000 0.710 225 A CB 2.139 21.105 19.000 -0.057 0.000 1.288 225 A HN 2.309 nan 8.150 nan 0.000 0.408 226 A N 2.367 125.311 122.820 0.207 0.000 3.082 226 A HA 0.698 5.018 4.320 0.000 0.000 0.328 226 A C -3.079 174.421 177.584 -0.139 0.000 1.089 226 A CA -1.316 50.710 52.037 -0.018 0.000 0.802 226 A CB 0.300 19.232 19.000 -0.114 0.000 1.138 226 A HN 0.410 nan 8.150 nan 0.000 0.474 227 P HA 0.311 nan 4.420 nan 0.000 0.276 227 P C -0.484 176.795 177.300 -0.036 0.000 1.253 227 P CA 0.445 63.458 63.100 -0.145 0.000 0.766 227 P CB 0.708 32.237 31.700 -0.284 0.000 0.845 228 E N 1.496 121.709 120.200 0.021 0.000 2.166 228 E HA 0.266 4.616 4.350 0.000 0.000 0.275 228 E C -0.056 176.610 176.600 0.111 0.000 0.941 228 E CA -0.750 55.664 56.400 0.023 0.000 0.784 228 E CB 0.661 30.337 29.700 -0.040 0.000 1.115 228 E HN 0.233 nan 8.360 nan 0.000 0.399 229 S N 2.768 118.555 115.700 0.144 0.000 3.268 229 S HA -0.140 4.330 4.470 0.000 0.000 0.347 229 S C -2.157 172.629 174.600 0.310 0.000 0.925 229 S CA 0.167 58.510 58.200 0.238 0.000 1.286 229 S CB -1.466 61.875 63.200 0.235 0.000 0.890 229 S HN 0.452 nan 8.310 nan 0.000 0.495 230 P HA 0.263 nan 4.420 nan 0.000 0.277 230 P C -0.182 177.300 177.300 0.303 0.000 1.240 230 P CA -0.643 62.654 63.100 0.329 0.000 0.798 230 P CB 0.573 32.496 31.700 0.372 0.000 0.979 231 M N 2.366 122.131 119.600 0.276 0.000 2.193 231 M HA 0.104 4.584 4.480 0.000 0.000 0.342 231 M C 0.816 177.291 176.300 0.292 0.000 1.413 231 M CA -0.168 55.231 55.300 0.166 0.000 1.191 231 M CB 0.552 33.139 32.600 -0.020 0.000 1.633 231 M HN 0.113 nan 8.290 nan 0.000 0.458 232 V N 0.343 120.421 119.914 0.273 0.000 2.911 232 V HA 0.140 4.260 4.120 0.000 0.000 0.237 232 V C 0.186 176.450 176.094 0.283 0.000 1.156 232 V CA 0.810 63.302 62.300 0.320 0.000 1.180 232 V CB 0.496 32.521 31.823 0.337 0.000 0.932 232 V HN 0.745 nan 8.190 nan 0.000 0.483 233 D N 0.010 120.535 120.400 0.209 0.000 2.336 233 D HA 0.307 4.947 4.640 0.000 0.000 0.248 233 D C 0.934 177.222 176.300 -0.020 0.000 1.326 233 D CA 0.345 54.415 54.000 0.117 0.000 0.973 233 D CB 1.538 42.326 40.800 -0.021 0.000 1.255 233 D HN 0.182 nan 8.370 nan 0.000 0.558 234 G N 1.592 110.469 108.800 0.127 0.000 2.625 234 G HA2 -0.212 3.748 3.960 0.000 0.000 0.214 234 G HA3 -0.212 3.748 3.960 0.000 0.000 0.214 234 G C 1.038 175.949 174.900 0.019 0.000 1.132 234 G CA 0.129 45.227 45.100 -0.003 0.000 0.782 234 G HN 0.525 nan 8.290 nan 0.000 0.538 235 W N -0.168 120.967 121.300 -0.275 0.000 2.630 235 W HA 0.263 4.923 4.660 0.000 0.000 0.275 235 W C 2.357 178.475 176.519 -0.669 0.000 1.192 235 W CA 0.167 57.220 57.345 -0.486 0.000 1.410 235 W CB 0.271 29.339 29.460 -0.653 0.000 1.075 235 W HN -0.029 nan 8.180 nan 0.000 0.581 236 M N -0.403 118.840 119.600 -0.595 0.000 2.132 236 M HA 0.149 4.629 4.480 0.000 0.000 0.263 236 M C 1.459 176.829 176.300 -1.550 0.000 1.065 236 M CA 1.901 56.407 55.300 -1.323 0.000 1.122 236 M CB -1.290 30.097 32.600 -2.021 0.000 1.365 236 M HN 0.247 nan 8.290 nan 0.000 0.411 237 G N -0.955 107.119 108.800 -1.210 0.000 5.310 237 G HA2 0.098 4.058 3.960 0.000 0.000 0.203 237 G HA3 0.098 4.058 3.960 0.000 0.000 0.203 237 G C -0.249 174.403 174.900 -0.415 0.000 0.800 237 G CA -0.405 44.132 45.100 -0.939 0.000 0.754 237 G HN 0.192 nan 8.290 nan 0.000 0.308 238 D N 0.031 120.288 120.400 -0.240 0.000 2.871 238 D HA 0.168 4.808 4.640 0.000 0.000 0.223 238 D C 0.900 177.108 176.300 -0.154 0.000 1.225 238 D CA -0.270 53.668 54.000 -0.104 0.000 1.188 238 D CB 0.663 41.399 40.800 -0.106 0.000 1.105 238 D HN -0.102 nan 8.370 nan 0.000 0.444 239 D N -0.533 119.591 120.400 -0.460 0.000 2.162 239 D HA -0.036 4.604 4.640 0.000 0.000 0.203 239 D C 2.127 178.116 176.300 -0.518 0.000 0.967 239 D CA 0.751 54.354 54.000 -0.661 0.000 0.840 239 D CB 0.176 40.245 40.800 -1.219 0.000 0.972 239 D HN 0.406 nan 8.370 nan 0.000 0.482 240 W N -0.233 121.003 121.300 -0.107 0.000 2.525 240 W HA 0.124 4.784 4.660 0.000 0.000 0.288 240 W C 0.465 176.630 176.519 -0.590 0.000 1.200 240 W CA -0.498 56.696 57.345 -0.253 0.000 1.349 240 W CB 0.158 29.656 29.460 0.063 0.000 1.102 240 W HN -0.231 nan 8.180 nan 0.000 0.558 241 F N -1.389 118.526 119.950 -0.058 0.000 2.626 241 F HA 0.398 4.925 4.527 0.000 0.000 0.311 241 F C -0.434 175.236 175.800 -0.216 0.000 1.088 241 F CA -1.371 56.487 58.000 -0.237 0.000 0.949 241 F CB 1.242 39.779 39.000 -0.771 0.000 1.322 241 F HN -0.292 nan 8.300 nan 0.000 0.461 242 H N 1.758 120.727 119.070 -0.167 0.000 2.860 242 H HA 0.229 4.785 4.556 0.000 0.000 0.312 242 H C -1.131 173.947 175.328 -0.417 0.000 0.995 242 H CA -0.866 55.008 56.048 -0.289 0.000 1.311 242 H CB 0.791 30.553 29.762 0.001 0.000 1.478 242 H HN 0.685 nan 8.280 nan 0.000 0.508 243 Y N 1.731 121.672 120.300 -0.597 0.000 3.305 243 Y HA -0.298 4.252 4.550 0.000 0.000 0.212 243 Y C 1.555 176.908 175.900 -0.911 0.000 1.248 243 Y CA 1.368 59.030 58.100 -0.730 0.000 1.359 243 Y CB -1.817 36.352 38.460 -0.486 0.000 1.407 243 Y HN 1.133 nan 8.280 nan 0.000 0.572 244 G N -1.995 105.897 108.800 -1.513 0.000 2.205 244 G HA2 -0.070 3.891 3.960 0.000 0.000 0.261 244 G HA3 -0.070 3.891 3.960 0.000 0.000 0.261 244 G C 0.376 175.173 174.900 -0.171 0.000 0.980 244 G CA -0.049 44.329 45.100 -1.204 0.000 0.632 244 G HN 1.620 nan 8.290 nan 0.000 0.533 245 A N 0.345 123.124 122.820 -0.069 0.000 2.302 245 A HA 0.652 4.972 4.320 0.000 0.000 0.295 245 A C -0.080 177.699 177.584 0.326 0.000 1.235 245 A CA -0.393 51.727 52.037 0.139 0.000 0.876 245 A CB 0.191 19.157 19.000 -0.057 0.000 1.133 245 A HN 1.224 nan 8.150 nan 0.000 0.533 246 F N 2.943 122.974 119.950 0.135 0.000 2.495 246 F HA 0.343 4.870 4.527 0.000 0.000 0.365 246 F C 0.776 176.457 175.800 -0.198 0.000 1.090 246 F CA -0.066 57.829 58.000 -0.175 0.000 1.235 246 F CB 0.641 39.570 39.000 -0.118 0.000 1.119 246 F HN 0.565 nan 8.300 nan 0.000 0.562 247 R N 5.922 125.661 120.500 -1.268 0.000 2.198 247 R HA 0.137 4.477 4.340 0.000 0.000 0.339 247 R C 0.955 176.218 176.300 -1.727 0.000 1.020 247 R CA -0.316 54.995 56.100 -1.314 0.000 0.864 247 R CB 0.815 30.523 30.300 -0.987 0.000 1.105 247 R HN 0.772 nan 8.270 nan 0.000 0.463 248 Q N 1.391 120.372 119.800 -1.366 0.000 2.364 248 Q HA -0.084 4.256 4.340 0.000 0.000 0.207 248 Q C 1.736 176.855 176.000 -1.468 0.000 0.970 248 Q CA 1.181 56.223 55.803 -1.269 0.000 0.888 248 Q CB 0.224 28.320 28.738 -1.070 0.000 0.951 248 Q HN 0.873 nan 8.270 nan 0.000 0.469 249 G N 0.783 108.495 108.800 -1.813 0.000 2.559 249 G HA2 -0.085 3.876 3.960 0.000 0.000 0.216 249 G HA3 -0.085 3.876 3.960 0.000 0.000 0.216 249 G C 1.431 175.674 174.900 -1.095 0.000 1.126 249 G CA 0.609 44.539 45.100 -1.950 0.000 0.778 249 G HN 0.383 nan 8.290 nan 0.000 0.543 250 A N 0.707 122.896 122.820 -1.051 0.000 1.978 250 A HA 0.071 4.391 4.320 0.000 0.000 0.220 250 A C 1.997 178.889 177.584 -1.152 0.000 1.170 250 A CA 1.154 52.644 52.037 -0.912 0.000 0.636 250 A CB -0.469 18.064 19.000 -0.778 0.000 0.810 250 A HN 0.272 nan 8.150 nan 0.000 0.448 251 F N 0.795 120.348 119.950 -0.662 0.000 2.102 251 F HA -0.155 4.372 4.527 0.000 0.000 0.298 251 F C 2.158 177.794 175.800 -0.273 0.000 1.105 251 F CA 1.260 59.011 58.000 -0.416 0.000 1.239 251 F CB -0.808 38.138 39.000 -0.091 0.000 0.991 251 F HN 0.230 nan 8.300 nan 0.000 0.474 252 D N -1.166 119.197 120.400 -0.062 0.000 2.117 252 D HA -0.242 4.398 4.640 0.000 0.000 0.197 252 D C 2.142 178.442 176.300 0.001 0.000 0.987 252 D CA 1.272 55.257 54.000 -0.026 0.000 0.829 252 D CB -0.732 40.028 40.800 -0.066 0.000 0.961 252 D HN 0.350 nan 8.370 nan 0.000 0.460 253 Y N 0.599 120.797 120.300 -0.169 0.000 2.181 253 Y HA -0.227 4.323 4.550 0.000 0.000 0.288 253 Y C 2.216 178.220 175.900 0.173 0.000 1.146 253 Y CA 1.518 59.609 58.100 -0.014 0.000 1.164 253 Y CB -0.464 37.989 38.460 -0.013 0.000 0.982 253 Y HN -0.088 nan 8.280 nan 0.000 0.515 254 F N -1.430 118.621 119.950 0.169 0.000 2.102 254 F HA -0.275 4.252 4.527 0.000 0.000 0.298 254 F C 2.287 178.082 175.800 -0.008 0.000 1.105 254 F CA 0.947 59.003 58.000 0.093 0.000 1.239 254 F CB -0.633 38.428 39.000 0.102 0.000 0.991 254 F HN -0.133 nan 8.300 nan 0.000 0.474 255 V N -1.026 118.950 119.914 0.103 0.000 2.515 255 V HA -0.265 3.855 4.120 0.000 0.000 0.250 255 V C 2.356 178.500 176.094 0.083 0.000 1.058 255 V CA 1.934 64.252 62.300 0.029 0.000 1.064 255 V CB -0.550 31.239 31.823 -0.057 0.000 0.675 255 V HN 0.335 nan 8.190 nan 0.000 0.461 256 S N -0.923 114.792 115.700 0.024 0.000 2.383 256 S HA -0.172 4.298 4.470 0.000 0.000 0.227 256 S C 1.936 176.507 174.600 -0.049 0.000 1.026 256 S CA 1.241 59.434 58.200 -0.012 0.000 0.981 256 S CB -0.068 63.115 63.200 -0.027 0.000 0.818 256 S HN 0.579 nan 8.310 nan 0.000 0.472 257 Q N -0.541 119.191 119.800 -0.113 0.000 2.378 257 Q HA 0.325 4.665 4.340 0.000 0.000 0.216 257 Q C 1.016 176.985 176.000 -0.052 0.000 0.892 257 Q CA 0.418 56.124 55.803 -0.161 0.000 0.931 257 Q CB 0.277 28.798 28.738 -0.361 0.000 1.086 257 Q HN 0.564 nan 8.270 nan 0.000 0.528 258 M N -0.792 118.884 119.600 0.127 0.000 2.416 258 M HA 0.128 4.608 4.480 0.000 0.000 0.337 258 M C 0.956 177.384 176.300 0.212 0.000 1.074 258 M CA 0.098 55.534 55.300 0.226 0.000 0.968 258 M CB 0.838 33.663 32.600 0.375 0.000 1.472 258 M HN -0.128 nan 8.290 nan 0.000 0.539 259 T N 1.018 115.685 114.554 0.187 0.000 2.896 259 T HA 0.212 4.562 4.350 0.000 0.000 0.263 259 T C 0.754 175.440 174.700 -0.022 0.000 1.050 259 T CA 1.020 63.191 62.100 0.118 0.000 1.140 259 T CB 0.191 69.148 68.868 0.148 0.000 0.877 259 T HN 0.466 nan 8.240 nan 0.000 0.457 260 A N -0.166 122.615 122.820 -0.064 0.000 2.583 260 A HA 0.704 5.024 4.320 0.000 0.000 0.289 260 A C 0.885 178.346 177.584 -0.204 0.000 1.151 260 A CA -0.676 51.289 52.037 -0.120 0.000 0.695 260 A CB 0.946 19.875 19.000 -0.119 0.000 1.290 260 A HN 0.073 nan 8.150 nan 0.000 0.419 261 R N -0.143 120.229 120.500 -0.213 0.000 2.073 261 R HA -0.058 4.282 4.340 0.000 0.000 0.234 261 R C 1.252 177.223 176.300 -0.548 0.000 1.134 261 R CA 2.171 58.101 56.100 -0.283 0.000 0.952 261 R CB -0.438 29.750 30.300 -0.186 0.000 0.850 261 R HN 0.859 nan 8.270 nan 0.000 0.433 262 G N -0.895 107.581 108.800 -0.540 0.000 2.829 262 G HA2 0.351 4.311 3.960 0.000 0.000 0.173 262 G HA3 0.351 4.311 3.960 0.000 0.000 0.173 262 G C -0.364 174.091 174.900 -0.741 0.000 1.476 262 G CA -0.193 44.369 45.100 -0.897 0.000 1.072 262 G HN 0.422 nan 8.290 nan 0.000 0.577 263 G N -1.226 107.413 108.800 -0.268 0.000 2.544 263 G HA2 0.505 4.465 3.960 0.000 0.000 0.242 263 G HA3 0.505 4.465 3.960 0.000 0.000 0.242 263 G C 0.164 175.028 174.900 -0.060 0.000 1.247 263 G CA 0.571 45.655 45.100 -0.026 0.000 0.840 263 G HN 0.841 nan 8.290 nan 0.000 0.578 264 G N -0.065 108.725 108.800 -0.017 0.000 3.108 264 G HA2 0.601 4.561 3.960 0.000 0.000 0.268 264 G HA3 0.601 4.561 3.960 0.000 0.000 0.268 264 G C -0.745 174.164 174.900 0.016 0.000 1.361 264 G CA -0.798 44.300 45.100 -0.003 0.000 1.047 264 G HN 0.595 nan 8.290 nan 0.000 0.540 265 N N -0.656 118.056 118.700 0.021 0.000 2.453 265 N HA 0.374 5.114 4.740 0.000 0.000 0.290 265 N C -1.235 174.284 175.510 0.015 0.000 1.250 265 N CA -0.497 52.562 53.050 0.016 0.000 0.815 265 N CB 2.284 40.777 38.487 0.011 0.000 1.381 265 N HN 0.352 nan 8.380 nan 0.000 0.510 266 D N 0.349 120.755 120.400 0.010 0.000 2.398 266 D HA 0.344 4.984 4.640 0.000 0.000 0.247 266 D C 0.191 176.492 176.300 0.002 0.000 1.227 266 D CA -0.003 54.002 54.000 0.009 0.000 0.980 266 D CB 0.931 41.737 40.800 0.009 0.000 1.106 266 D HN 0.299 nan 8.370 nan 0.000 0.493 267 I N 2.016 122.590 120.570 0.007 0.000 2.352 267 I HA 0.166 4.336 4.170 0.000 0.000 0.290 267 I C -1.917 174.188 176.117 -0.019 0.000 1.036 267 I CA -1.714 59.574 61.300 -0.020 0.000 1.336 267 I CB 0.809 38.803 38.000 -0.009 0.000 1.407 267 I HN 0.046 nan 8.210 nan 0.000 0.497 268 P HA 0.141 nan 4.420 nan 0.000 0.265 268 P C -0.742 176.526 177.300 -0.053 0.000 1.193 268 P CA -0.141 62.932 63.100 -0.045 0.000 0.765 268 P CB 0.458 32.124 31.700 -0.057 0.000 0.823 269 R N 2.424 122.907 120.500 -0.029 0.000 2.732 269 R HA 0.345 4.685 4.340 0.000 0.000 0.278 269 R C 1.062 177.345 176.300 -0.027 0.000 0.976 269 R CA -0.898 55.191 56.100 -0.019 0.000 0.963 269 R CB 1.445 31.750 30.300 0.008 0.000 1.150 269 R HN 0.341 nan 8.270 nan 0.000 0.478 270 R N 0.542 121.026 120.500 -0.027 0.000 2.055 270 R HA 0.054 4.394 4.340 0.000 0.000 0.226 270 R C 0.065 176.361 176.300 -0.007 0.000 1.135 270 R CA 1.537 57.623 56.100 -0.022 0.000 0.959 270 R CB 0.042 30.327 30.300 -0.026 0.000 0.854 270 R HN 0.602 nan 8.270 nan 0.000 0.431 271 D N -1.490 118.913 120.400 0.006 0.000 2.269 271 D HA 0.287 4.928 4.640 0.000 0.000 0.244 271 D C 0.102 176.406 176.300 0.007 0.000 0.992 271 D CA 0.248 54.257 54.000 0.015 0.000 0.894 271 D CB 2.179 43.001 40.800 0.037 0.000 1.248 271 D HN 0.235 nan 8.370 nan 0.000 0.468 272 A N 2.373 125.193 122.820 0.001 0.000 2.015 272 A HA -0.099 4.221 4.320 0.000 0.000 0.219 272 A C 0.846 178.414 177.584 -0.027 0.000 1.163 272 A CA 1.039 53.065 52.037 -0.018 0.000 0.646 272 A CB 0.010 19.000 19.000 -0.016 0.000 0.806 272 A HN 0.508 nan 8.150 nan 0.000 0.448 273 D N -0.440 119.965 120.400 0.010 0.000 2.317 273 D HA 0.279 4.919 4.640 0.000 0.000 0.234 273 D C -0.172 176.175 176.300 0.079 0.000 1.112 273 D CA -0.482 53.538 54.000 0.034 0.000 0.840 273 D CB 0.791 41.640 40.800 0.081 0.000 1.078 273 D HN 0.026 nan 8.370 nan 0.000 0.486 274 D N 2.470 122.886 120.400 0.027 0.000 2.310 274 D HA -0.165 4.475 4.640 0.000 0.000 0.212 274 D C 1.291 177.733 176.300 0.237 0.000 0.965 274 D CA 0.549 54.622 54.000 0.122 0.000 0.879 274 D CB -0.020 40.772 40.800 -0.012 0.000 0.921 274 D HN 0.574 nan 8.370 nan 0.000 0.510 275 Y N 1.586 121.951 120.300 0.109 0.000 2.145 275 Y HA -0.256 4.294 4.550 0.000 0.000 0.286 275 Y C 2.284 178.374 175.900 0.316 0.000 1.145 275 Y CA 1.874 60.116 58.100 0.237 0.000 1.148 275 Y CB -0.369 38.222 38.460 0.219 0.000 0.981 275 Y HN -0.110 nan 8.280 nan 0.000 0.507 276 T N 0.792 115.583 114.554 0.396 0.000 2.701 276 T HA -0.179 4.171 4.350 0.000 0.000 0.263 276 T C 1.651 176.458 174.700 0.179 0.000 1.040 276 T CA 1.469 63.724 62.100 0.258 0.000 1.147 276 T CB -0.403 68.579 68.868 0.190 0.000 0.865 276 T HN 0.374 nan 8.240 nan 0.000 0.426 277 N N 0.901 119.691 118.700 0.150 0.000 2.094 277 N HA -0.061 4.679 4.740 0.000 0.000 0.191 277 N C 1.589 177.121 175.510 0.036 0.000 1.023 277 N CA 1.276 54.368 53.050 0.071 0.000 0.857 277 N CB -0.531 37.968 38.487 0.020 0.000 1.013 277 N HN 0.372 nan 8.380 nan 0.000 0.426 278 F N 0.402 120.400 119.950 0.080 0.000 2.293 278 F HA 0.033 4.560 4.527 0.000 0.000 0.297 278 F C 2.112 178.054 175.800 0.237 0.000 1.089 278 F CA 0.071 58.127 58.000 0.093 0.000 1.377 278 F CB -0.284 38.639 39.000 -0.128 0.000 1.051 278 F HN -0.027 nan 8.300 nan 0.000 0.511 279 L N 0.586 122.034 121.223 0.375 0.000 2.056 279 L HA -0.130 4.210 4.340 0.000 0.000 0.207 279 L C 2.082 178.968 176.870 0.026 0.000 1.078 279 L CA 1.859 56.751 54.840 0.087 0.000 0.749 279 L CB -0.675 41.322 42.059 -0.104 0.000 0.901 279 L HN -0.042 nan 8.230 nan 0.000 0.433 280 K N -0.783 119.655 120.400 0.063 0.000 2.148 280 K HA -0.026 4.294 4.320 0.000 0.000 0.204 280 K C 1.957 178.580 176.600 0.039 0.000 1.050 280 K CA 1.060 57.366 56.287 0.032 0.000 0.942 280 K CB -0.221 32.299 32.500 0.034 0.000 0.724 280 K HN 0.433 nan 8.250 nan 0.000 0.446 281 A N 0.738 123.610 122.820 0.087 0.000 2.016 281 A HA 0.129 4.449 4.320 0.000 0.000 0.217 281 A C 1.478 179.133 177.584 0.118 0.000 1.162 281 A CA 1.537 53.637 52.037 0.105 0.000 0.662 281 A CB -0.396 18.727 19.000 0.205 0.000 0.812 281 A HN 0.438 nan 8.150 nan 0.000 0.450 282 G N -0.783 108.078 108.800 0.101 0.000 3.226 282 G HA2 -0.218 3.742 3.960 0.000 0.000 0.270 282 G HA3 -0.218 3.742 3.960 0.000 0.000 0.270 282 G C 0.751 175.746 174.900 0.159 0.000 1.592 282 G CA 0.812 45.934 45.100 0.037 0.000 1.055 282 G HN 1.745 nan 8.290 nan 0.000 0.582 283 S N 1.163 117.037 115.700 0.290 0.000 2.681 283 S HA 0.768 5.238 4.470 0.000 0.000 0.270 283 S C 1.636 176.519 174.600 0.472 0.000 1.209 283 S CA 0.600 59.053 58.200 0.422 0.000 0.988 283 S CB 1.617 65.070 63.200 0.422 0.000 1.006 283 S HN 2.140 nan 8.310 nan 0.000 0.558 284 A N 0.994 124.163 122.820 0.582 0.000 1.898 284 A HA 0.207 4.527 4.320 0.000 0.000 0.216 284 A C 2.150 180.096 177.584 0.603 0.000 1.181 284 A CA 1.438 53.921 52.037 0.743 0.000 0.620 284 A CB -1.770 17.781 19.000 0.917 0.000 0.819 284 A HN 1.137 nan 8.150 nan 0.000 0.442 285 G N -0.899 108.264 108.800 0.605 0.000 2.432 285 G HA2 -0.168 3.792 3.960 0.000 0.000 0.219 285 G HA3 -0.168 3.792 3.960 0.000 0.000 0.219 285 G C 1.882 176.934 174.900 0.254 0.000 1.135 285 G CA 1.457 46.863 45.100 0.511 0.000 0.767 285 G HN 0.562 nan 8.290 nan 0.000 0.550 286 S N -0.461 115.384 115.700 0.243 0.000 2.383 286 S HA -0.067 4.403 4.470 0.000 0.000 0.227 286 S C 2.032 176.651 174.600 0.030 0.000 1.026 286 S CA 1.167 59.445 58.200 0.131 0.000 0.981 286 S CB -0.376 62.919 63.200 0.158 0.000 0.818 286 S HN 0.362 nan 8.310 nan 0.000 0.472 287 F N 2.206 122.107 119.950 -0.082 0.000 2.146 287 F HA 0.090 4.617 4.527 0.000 0.000 0.298 287 F C 2.295 177.797 175.800 -0.495 0.000 1.096 287 F CA 1.144 58.986 58.000 -0.264 0.000 1.275 287 F CB -0.757 38.108 39.000 -0.226 0.000 1.008 287 F HN 0.279 nan 8.300 nan 0.000 0.480 288 A N -0.248 122.253 122.820 -0.532 0.000 1.883 288 A HA -0.210 4.110 4.320 0.000 0.000 0.217 288 A C 2.192 179.479 177.584 -0.495 0.000 1.186 288 A CA 2.476 53.984 52.037 -0.881 0.000 0.624 288 A CB -1.486 16.875 19.000 -1.064 0.000 0.822 288 A HN 0.434 nan 8.150 nan 0.000 0.444 289 T N 0.025 114.425 114.554 -0.257 0.000 2.684 289 T HA -0.206 4.144 4.350 0.000 0.000 0.267 289 T C 2.072 176.643 174.700 -0.215 0.000 1.036 289 T CA 1.828 63.835 62.100 -0.156 0.000 1.148 289 T CB -0.329 68.500 68.868 -0.065 0.000 0.863 289 T HN 0.622 nan 8.240 nan 0.000 0.436 290 Q N 0.512 120.140 119.800 -0.287 0.000 2.124 290 Q HA 0.016 4.356 4.340 0.000 0.000 0.202 290 Q C 2.453 178.218 176.000 -0.391 0.000 0.977 290 Q CA 1.303 56.916 55.803 -0.318 0.000 0.850 290 Q CB -0.243 28.280 28.738 -0.357 0.000 0.901 290 Q HN 0.541 nan 8.270 nan 0.000 0.429 291 A N -0.199 122.290 122.820 -0.551 0.000 2.235 291 A HA 0.229 4.549 4.320 0.000 0.000 0.208 291 A C 1.500 178.912 177.584 -0.287 0.000 1.172 291 A CA 0.838 52.581 52.037 -0.490 0.000 0.786 291 A CB -0.381 18.226 19.000 -0.655 0.000 0.804 291 A HN 0.482 nan 8.150 nan 0.000 0.479 292 G N -1.275 107.395 108.800 -0.217 0.000 2.143 292 G HA2 -0.264 3.696 3.960 0.000 0.000 0.249 292 G HA3 -0.264 3.696 3.960 0.000 0.000 0.249 292 G C 0.723 175.626 174.900 0.006 0.000 0.981 292 G CA 0.429 45.483 45.100 -0.075 0.000 0.665 292 G HN 0.452 nan 8.290 nan 0.000 0.528 293 L N 0.280 121.412 121.223 -0.151 0.000 2.456 293 L HA 0.043 4.383 4.340 0.000 0.000 0.224 293 L C 2.168 179.169 176.870 0.219 0.000 1.148 293 L CA 1.032 55.795 54.840 -0.129 0.000 0.825 293 L CB -0.173 41.576 42.059 -0.516 0.000 0.937 293 L HN 0.103 nan 8.230 nan 0.000 0.450 294 D N 0.098 120.601 120.400 0.171 0.000 2.309 294 D HA -0.204 4.436 4.640 0.000 0.000 0.212 294 D C 2.032 178.431 176.300 0.165 0.000 0.968 294 D CA 0.932 55.049 54.000 0.195 0.000 0.882 294 D CB 0.044 40.883 40.800 0.065 0.000 0.918 294 D HN 0.595 nan 8.370 nan 0.000 0.503 295 Q N -0.619 119.302 119.800 0.201 0.000 2.360 295 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 295 Q C -0.182 175.871 176.000 0.087 0.000 0.915 295 Q CA 0.033 55.899 55.803 0.104 0.000 0.943 295 Q CB -0.116 28.643 28.738 0.035 0.000 1.064 295 Q HN 0.271 nan 8.270 nan 0.000 0.511 296 Y N 1.665 122.014 120.300 0.080 0.000 2.425 296 Y HA 0.234 4.784 4.550 0.000 0.000 0.347 296 Y C -1.572 174.378 175.900 0.083 0.000 0.976 296 Y CA -2.548 55.609 58.100 0.095 0.000 1.190 296 Y CB 1.424 39.965 38.460 0.136 0.000 1.136 296 Y HN 0.044 nan 8.280 nan 0.000 0.517 297 P HA -0.274 nan 4.420 nan 0.000 0.216 297 P C 1.596 178.932 177.300 0.061 0.000 1.153 297 P CA 1.463 64.602 63.100 0.064 0.000 0.858 297 P CB 0.046 31.774 31.700 0.047 0.000 0.789 298 F N -0.914 119.023 119.950 -0.022 0.000 2.126 298 F HA -0.167 4.360 4.527 0.000 0.000 0.299 298 F C 2.280 178.001 175.800 -0.131 0.000 1.096 298 F CA 1.337 59.274 58.000 -0.105 0.000 1.255 298 F CB -0.846 38.037 39.000 -0.194 0.000 0.997 298 F HN 0.011 nan 8.300 nan 0.000 0.479 299 W N 1.253 122.397 121.300 -0.261 0.000 2.388 299 W HA -0.217 4.443 4.660 0.000 0.000 0.294 299 W C 2.004 178.384 176.519 -0.230 0.000 1.212 299 W CA 1.518 58.697 57.345 -0.277 0.000 1.271 299 W CB -0.417 29.000 29.460 -0.071 0.000 1.126 299 W HN 0.174 nan 8.180 nan 0.000 0.535 300 Q N 0.214 119.804 119.800 -0.350 0.000 2.096 300 Q HA -0.226 4.115 4.340 0.000 0.000 0.204 300 Q C 2.375 178.073 176.000 -0.505 0.000 0.982 300 Q CA 2.055 57.586 55.803 -0.454 0.000 0.850 300 Q CB -0.284 28.317 28.738 -0.229 0.000 0.901 300 Q HN 0.318 nan 8.270 nan 0.000 0.422 301 R N 0.060 120.268 120.500 -0.486 0.000 2.066 301 R HA -0.067 4.273 4.340 0.000 0.000 0.232 301 R C 2.316 178.249 176.300 -0.612 0.000 1.131 301 R CA 1.361 57.109 56.100 -0.587 0.000 0.955 301 R CB -0.382 29.534 30.300 -0.641 0.000 0.851 301 R HN 0.323 nan 8.270 nan 0.000 0.432 302 M N 0.463 119.704 119.600 -0.599 0.000 2.108 302 M HA -0.227 4.253 4.480 0.000 0.000 0.261 302 M C 2.452 178.578 176.300 -0.289 0.000 1.066 302 M CA 1.762 56.936 55.300 -0.209 0.000 1.107 302 M CB -0.365 32.170 32.600 -0.108 0.000 1.356 302 M HN 0.236 nan 8.290 nan 0.000 0.406 303 H N 0.117 118.566 119.070 -1.034 0.000 2.387 303 H HA -0.114 4.442 4.556 0.000 0.000 0.299 303 H C 1.640 176.718 175.328 -0.417 0.000 1.099 303 H CA 1.954 57.348 56.048 -1.091 0.000 1.315 303 H CB -0.004 28.852 29.762 -1.510 0.000 1.380 303 H HN 0.543 nan 8.280 nan 0.000 0.513 304 A N 0.475 123.052 122.820 -0.405 0.000 2.119 304 A HA -0.074 4.246 4.320 0.000 0.000 0.217 304 A C 0.584 177.814 177.584 -0.589 0.000 1.153 304 A CA 0.571 52.317 52.037 -0.486 0.000 0.692 304 A CB -0.154 18.487 19.000 -0.598 0.000 0.799 304 A HN 0.497 nan 8.150 nan 0.000 0.458 305 H N -0.608 118.414 119.070 -0.080 0.000 2.317 305 H HA 0.194 4.750 4.556 0.000 0.000 0.231 305 H C -2.034 173.567 175.328 0.454 0.000 1.442 305 H CA -1.514 54.607 56.048 0.121 0.000 1.336 305 H CB 0.449 30.190 29.762 -0.035 0.000 1.533 305 H HN 0.376 nan 8.280 nan 0.000 0.522 306 P HA -0.015 nan 4.420 nan 0.000 0.223 306 P C 0.767 178.332 177.300 0.442 0.000 1.151 306 P CA 0.500 63.868 63.100 0.446 0.000 0.787 306 P CB 0.667 32.512 31.700 0.242 0.000 0.788 307 A N -0.543 122.517 122.820 0.400 0.000 2.256 307 A HA 0.323 4.643 4.320 0.000 0.000 0.318 307 A C -0.615 176.855 177.584 -0.190 0.000 1.103 307 A CA -0.550 51.638 52.037 0.252 0.000 0.860 307 A CB -0.102 19.084 19.000 0.310 0.000 1.182 307 A HN 0.002 nan 8.150 nan 0.000 0.501 308 Y N 2.040 121.742 120.300 -0.996 0.000 2.830 308 Y HA 0.187 4.737 4.550 0.000 0.000 0.371 308 Y C 0.251 175.921 175.900 -0.383 0.000 1.246 308 Y CA -1.174 56.208 58.100 -1.196 0.000 1.890 308 Y CB -0.944 36.486 38.460 -1.716 0.000 1.995 308 Y HN 0.770 nan 8.280 nan 0.000 0.430 309 D N -0.195 120.089 120.400 -0.194 0.000 2.425 309 D HA 0.190 4.830 4.640 0.000 0.000 0.274 309 D C 1.560 177.716 176.300 -0.240 0.000 1.242 309 D CA 0.142 54.064 54.000 -0.130 0.000 1.060 309 D CB 0.023 40.843 40.800 0.032 0.000 1.112 309 D HN 0.201 nan 8.370 nan 0.000 0.561 310 A N -0.935 121.781 122.820 -0.172 0.000 1.978 310 A HA -0.137 4.183 4.320 0.000 0.000 0.220 310 A C 1.998 179.428 177.584 -0.256 0.000 1.170 310 A CA 1.371 53.293 52.037 -0.193 0.000 0.636 310 A CB -1.229 17.700 19.000 -0.119 0.000 0.810 310 A HN 0.532 nan 8.150 nan 0.000 0.448 311 F N -0.931 118.697 119.950 -0.538 0.000 2.095 311 F HA -0.188 4.339 4.527 0.000 0.000 0.298 311 F C 1.886 177.296 175.800 -0.649 0.000 1.104 311 F CA 1.828 59.383 58.000 -0.742 0.000 1.232 311 F CB -0.412 37.776 39.000 -1.354 0.000 0.987 311 F HN 0.416 nan 8.300 nan 0.000 0.475 312 W N 0.187 121.276 121.300 -0.351 0.000 2.494 312 W HA 0.011 4.671 4.660 0.000 0.000 0.286 312 W C 2.480 178.706 176.519 -0.488 0.000 1.218 312 W CA 0.561 57.688 57.345 -0.363 0.000 1.313 312 W CB -0.620 28.692 29.460 -0.246 0.000 1.105 312 W HN -0.036 nan 8.180 nan 0.000 0.561 313 Q N -0.123 119.369 119.800 -0.514 0.000 2.170 313 Q HA -0.100 4.240 4.340 0.000 0.000 0.203 313 Q C 2.333 178.220 176.000 -0.189 0.000 0.976 313 Q CA 1.391 56.918 55.803 -0.460 0.000 0.858 313 Q CB -0.681 27.794 28.738 -0.438 0.000 0.907 313 Q HN 0.377 nan 8.270 nan 0.000 0.433 314 G N 0.099 108.775 108.800 -0.205 0.000 2.848 314 G HA2 -0.154 3.806 3.960 0.000 0.000 0.208 314 G HA3 -0.154 3.806 3.960 0.000 0.000 0.208 314 G C 0.806 175.646 174.900 -0.101 0.000 1.152 314 G CA 0.072 45.084 45.100 -0.146 0.000 0.789 314 G HN 0.283 nan 8.290 nan 0.000 0.531 315 Q N -0.572 119.190 119.800 -0.063 0.000 2.139 315 Q HA 0.348 4.688 4.340 0.000 0.000 0.219 315 Q C 0.567 176.673 176.000 0.176 0.000 0.805 315 Q CA -0.369 55.468 55.803 0.057 0.000 1.024 315 Q CB 1.442 30.202 28.738 0.037 0.000 1.163 315 Q HN 0.283 nan 8.270 nan 0.000 0.485 316 A N 1.485 124.397 122.820 0.154 0.000 2.671 316 A HA 0.219 4.539 4.320 0.000 0.000 0.306 316 A C 0.970 178.669 177.584 0.192 0.000 1.473 316 A CA -0.120 52.044 52.037 0.213 0.000 1.155 316 A CB -0.303 18.834 19.000 0.228 0.000 1.123 316 A HN 0.405 nan 8.150 nan 0.000 0.545 317 L N 1.134 122.489 121.223 0.219 0.000 2.201 317 L HA -0.157 4.183 4.340 0.000 0.000 0.212 317 L C 2.154 179.132 176.870 0.180 0.000 1.105 317 L CA 1.258 56.217 54.840 0.198 0.000 0.775 317 L CB -0.506 41.690 42.059 0.229 0.000 0.913 317 L HN 0.786 nan 8.230 nan 0.000 0.440 318 D N 0.181 120.696 120.400 0.192 0.000 2.117 318 D HA -0.210 4.430 4.640 0.000 0.000 0.197 318 D C 1.792 178.161 176.300 0.115 0.000 0.987 318 D CA 1.187 55.270 54.000 0.138 0.000 0.829 318 D CB -0.278 40.620 40.800 0.163 0.000 0.961 318 D HN 0.200 nan 8.370 nan 0.000 0.460 319 K N 0.252 120.735 120.400 0.138 0.000 2.062 319 K HA 0.012 4.332 4.320 0.000 0.000 0.205 319 K C 2.350 179.004 176.600 0.091 0.000 1.051 319 K CA 0.243 56.597 56.287 0.112 0.000 0.941 319 K CB -0.226 32.347 32.500 0.123 0.000 0.719 319 K HN 0.264 nan 8.250 nan 0.000 0.440 320 I N 1.205 121.834 120.570 0.098 0.000 2.179 320 I HA -0.228 3.942 4.170 0.000 0.000 0.242 320 I C 2.431 178.601 176.117 0.088 0.000 1.088 320 I CA 0.804 62.154 61.300 0.085 0.000 1.357 320 I CB -0.992 37.060 38.000 0.087 0.000 1.051 320 I HN 0.047 nan 8.210 nan 0.000 0.409 321 L N 1.624 122.911 121.223 0.107 0.000 2.042 321 L HA -0.128 4.212 4.340 0.000 0.000 0.210 321 L C 2.595 179.521 176.870 0.093 0.000 1.076 321 L CA 2.127 57.038 54.840 0.119 0.000 0.749 321 L CB -0.911 41.250 42.059 0.170 0.000 0.893 321 L HN 0.205 nan 8.230 nan 0.000 0.432 322 A N -1.345 121.517 122.820 0.070 0.000 1.978 322 A HA -0.262 4.059 4.320 0.000 0.000 0.220 322 A C 2.161 179.772 177.584 0.045 0.000 1.170 322 A CA 1.811 53.874 52.037 0.044 0.000 0.636 322 A CB -0.512 18.503 19.000 0.026 0.000 0.810 322 A HN 0.676 nan 8.150 nan 0.000 0.448 323 Q N -1.139 118.692 119.800 0.052 0.000 2.230 323 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 323 Q C 2.108 178.137 176.000 0.048 0.000 0.963 323 Q CA 0.826 56.657 55.803 0.046 0.000 0.866 323 Q CB -0.032 28.735 28.738 0.047 0.000 0.931 323 Q HN 0.443 nan 8.270 nan 0.000 0.452 324 R N 0.922 121.458 120.500 0.059 0.000 2.127 324 R HA 0.062 4.402 4.340 0.000 0.000 0.217 324 R C 0.129 176.466 176.300 0.061 0.000 1.074 324 R CA 0.391 56.528 56.100 0.062 0.000 0.991 324 R CB -0.046 30.298 30.300 0.074 0.000 0.895 324 R HN 0.141 nan 8.270 nan 0.000 0.450 325 K N 1.301 121.740 120.400 0.066 0.000 4.387 325 K HA -0.106 4.214 4.320 0.000 0.000 0.290 325 K C -2.376 174.266 176.600 0.071 0.000 0.936 325 K CA 0.074 56.399 56.287 0.064 0.000 0.890 325 K CB -1.059 31.469 32.500 0.046 0.000 1.617 325 K HN 0.259 nan 8.250 nan 0.000 0.437 326 P HA 0.005 nan 4.420 nan 0.000 0.275 326 P C 0.558 177.901 177.300 0.072 0.000 1.228 326 P CA -0.026 63.125 63.100 0.084 0.000 0.786 326 P CB 0.968 32.732 31.700 0.108 0.000 0.927 327 T N -2.327 112.254 114.554 0.045 0.000 3.176 327 T HA 0.197 4.547 4.350 0.000 0.000 0.263 327 T C 0.440 175.132 174.700 -0.013 0.000 1.021 327 T CA -0.288 61.828 62.100 0.026 0.000 0.905 327 T CB -0.474 68.406 68.868 0.020 0.000 1.057 327 T HN 0.075 nan 8.240 nan 0.000 0.558 328 V N 3.618 123.523 119.914 -0.015 0.000 2.488 328 V HA 0.325 4.445 4.120 0.000 0.000 0.277 328 V C -2.221 173.822 176.094 -0.085 0.000 1.046 328 V CA -2.119 60.130 62.300 -0.085 0.000 0.986 328 V CB 0.952 32.735 31.823 -0.066 0.000 0.989 328 V HN 0.263 nan 8.190 nan 0.000 0.475 329 P HA 0.158 nan 4.420 nan 0.000 0.264 329 P C -0.544 176.828 177.300 0.120 0.000 1.193 329 P CA 0.507 63.544 63.100 -0.106 0.000 0.763 329 P CB 0.295 31.585 31.700 -0.683 0.000 0.810 330 M N 3.110 122.864 119.600 0.256 0.000 2.530 330 M HA 0.471 4.951 4.480 0.000 0.000 0.307 330 M C -0.911 175.416 176.300 0.046 0.000 1.161 330 M CA -0.872 54.490 55.300 0.103 0.000 0.903 330 M CB 2.208 34.807 32.600 -0.001 0.000 1.711 330 M HN 0.076 nan 8.290 nan 0.000 0.451 331 L N 2.595 123.740 121.223 -0.130 0.000 2.377 331 L HA 0.540 4.880 4.340 0.000 0.000 0.270 331 L C -2.056 174.675 176.870 -0.233 0.000 0.991 331 L CA 0.074 54.797 54.840 -0.195 0.000 0.851 331 L CB 0.902 42.818 42.059 -0.238 0.000 1.218 331 L HN 0.621 nan 8.230 nan 0.000 0.420 332 W N 4.333 125.604 121.300 -0.049 0.000 2.365 332 W HA 0.605 5.265 4.660 0.000 0.000 0.316 332 W C 0.376 176.807 176.519 -0.147 0.000 1.164 332 W CA -0.181 57.140 57.345 -0.039 0.000 1.204 332 W CB 1.111 30.593 29.460 0.036 0.000 1.213 332 W HN 0.384 nan 8.180 nan 0.000 0.539 333 E N 3.567 123.819 120.200 0.087 0.000 2.293 333 E HA 0.381 4.731 4.350 0.000 0.000 0.270 333 E C -1.214 175.420 176.600 0.056 0.000 0.879 333 E CA -0.676 55.707 56.400 -0.027 0.000 0.756 333 E CB 2.237 31.838 29.700 -0.166 0.000 1.208 333 E HN 0.689 nan 8.360 nan 0.000 0.428 334 Q N 1.343 121.173 119.800 0.049 0.000 2.578 334 Q HA 0.625 4.965 4.340 0.000 0.000 0.284 334 Q C -0.873 175.192 176.000 0.108 0.000 0.960 334 Q CA -1.142 54.722 55.803 0.102 0.000 0.809 334 Q CB 0.838 29.629 28.738 0.089 0.000 1.462 334 Q HN 0.470 nan 8.270 nan 0.000 0.392 335 G N 0.990 109.891 108.800 0.168 0.000 2.420 335 G HA2 0.395 4.355 3.960 0.000 0.000 0.284 335 G HA3 0.395 4.355 3.960 0.000 0.000 0.284 335 G C 0.349 175.188 174.900 -0.102 0.000 1.177 335 G CA -0.841 44.328 45.100 0.116 0.000 0.841 335 G HN 0.644 nan 8.290 nan 0.000 0.527 336 L N 0.549 121.566 121.223 -0.343 0.000 2.131 336 L HA -0.010 4.330 4.340 0.000 0.000 0.210 336 L C 1.127 177.659 176.870 -0.564 0.000 1.092 336 L CA 0.801 55.303 54.840 -0.564 0.000 0.759 336 L CB 0.018 41.513 42.059 -0.940 0.000 0.903 336 L HN 0.551 nan 8.230 nan 0.000 0.435 337 W N 0.208 121.439 121.300 -0.116 0.000 2.164 337 W HA 0.199 4.860 4.660 0.000 0.000 0.370 337 W C 0.016 176.475 176.519 -0.100 0.000 0.747 337 W CA -0.957 56.312 57.345 -0.126 0.000 2.688 337 W CB -0.082 29.292 29.460 -0.143 0.000 1.826 337 W HN -0.049 nan 8.180 nan 0.000 0.721 338 D N 2.427 122.893 120.400 0.110 0.000 2.344 338 D HA -0.046 4.594 4.640 0.000 0.000 0.253 338 D C 1.558 177.901 176.300 0.072 0.000 1.255 338 D CA 0.474 54.562 54.000 0.146 0.000 0.894 338 D CB 1.064 41.974 40.800 0.184 0.000 1.067 338 D HN 0.155 nan 8.370 nan 0.000 0.492 339 Q N 2.681 122.468 119.800 -0.021 0.000 2.444 339 Q HA -0.029 4.312 4.340 0.000 0.000 0.206 339 Q C 0.176 176.167 176.000 -0.015 0.000 0.948 339 Q CA 0.840 56.550 55.803 -0.154 0.000 0.946 339 Q CB 0.279 28.706 28.738 -0.519 0.000 1.027 339 Q HN 0.592 nan 8.270 nan 0.000 0.513 340 E N -0.104 120.079 120.200 -0.028 0.000 2.441 340 E HA 0.127 4.477 4.350 0.000 0.000 0.207 340 E C -0.337 176.186 176.600 -0.129 0.000 0.803 340 E CA 0.085 56.404 56.400 -0.135 0.000 1.240 340 E CB 0.770 30.173 29.700 -0.494 0.000 1.233 340 E HN 0.238 nan 8.360 nan 0.000 0.590 341 D N 0.814 121.195 120.400 -0.032 0.000 2.656 341 D HA 0.113 4.753 4.640 0.000 0.000 0.303 341 D C 0.180 176.591 176.300 0.186 0.000 1.199 341 D CA -0.012 54.042 54.000 0.091 0.000 0.797 341 D CB 1.190 42.077 40.800 0.145 0.000 1.170 341 D HN 0.022 nan 8.370 nan 0.000 0.509 342 M N 0.176 119.891 119.600 0.192 0.000 2.492 342 M HA 0.049 4.529 4.480 0.000 0.000 0.262 342 M C 1.452 177.882 176.300 0.217 0.000 1.090 342 M CA 0.987 56.399 55.300 0.186 0.000 1.110 342 M CB 0.155 32.874 32.600 0.198 0.000 1.407 342 M HN 0.397 nan 8.290 nan 0.000 0.470 343 W N 0.101 121.411 121.300 0.017 0.000 2.526 343 W HA 0.106 4.766 4.660 0.000 0.000 0.294 343 W C 1.670 178.295 176.519 0.177 0.000 1.181 343 W CA 1.413 58.788 57.345 0.051 0.000 1.373 343 W CB -0.874 28.467 29.460 -0.198 0.000 1.112 343 W HN 0.296 nan 8.180 nan 0.000 0.545 344 G N 1.699 110.716 108.800 0.362 0.000 2.875 344 G HA2 -0.435 3.525 3.960 0.000 0.000 0.220 344 G HA3 -0.435 3.525 3.960 0.000 0.000 0.220 344 G C 1.648 176.664 174.900 0.193 0.000 1.293 344 G CA 2.774 48.052 45.100 0.297 0.000 0.789 344 G HN 0.387 nan 8.290 nan 0.000 0.677 345 A N 0.123 123.072 122.820 0.215 0.000 1.883 345 A HA -0.028 4.292 4.320 0.000 0.000 0.217 345 A C 2.516 180.100 177.584 0.001 0.000 1.186 345 A CA 1.897 54.063 52.037 0.216 0.000 0.624 345 A CB -0.465 18.698 19.000 0.272 0.000 0.822 345 A HN 0.591 nan 8.150 nan 0.000 0.444 346 I N -1.638 118.919 120.570 -0.021 0.000 2.252 346 I HA -0.244 3.926 4.170 0.000 0.000 0.245 346 I C 2.293 178.327 176.117 -0.139 0.000 1.102 346 I CA 1.760 63.018 61.300 -0.069 0.000 1.385 346 I CB -0.131 37.787 38.000 -0.136 0.000 1.064 346 I HN 0.479 nan 8.210 nan 0.000 0.414 347 H N 0.254 119.179 119.070 -0.242 0.000 2.428 347 H HA 0.018 4.574 4.556 0.000 0.000 0.296 347 H C 2.193 177.387 175.328 -0.223 0.000 1.062 347 H CA 1.411 57.274 56.048 -0.308 0.000 1.350 347 H CB -0.102 29.302 29.762 -0.598 0.000 1.403 347 H HN 0.440 nan 8.280 nan 0.000 0.533 348 A N 0.109 122.810 122.820 -0.198 0.000 1.897 348 A HA -0.157 4.163 4.320 0.000 0.000 0.215 348 A C 2.093 179.287 177.584 -0.649 0.000 1.181 348 A CA 1.196 52.968 52.037 -0.442 0.000 0.620 348 A CB -1.033 17.513 19.000 -0.757 0.000 0.821 348 A HN 0.674 nan 8.150 nan 0.000 0.443 349 W N 0.731 121.455 121.300 -0.960 0.000 2.358 349 W HA -0.202 4.458 4.660 0.000 0.000 0.303 349 W C 2.111 178.437 176.519 -0.321 0.000 1.208 349 W CA 2.050 58.942 57.345 -0.755 0.000 1.274 349 W CB -0.169 28.962 29.460 -0.548 0.000 1.138 349 W HN 0.384 nan 8.180 nan 0.000 0.515 350 Q N 0.831 120.425 119.800 -0.343 0.000 2.167 350 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 350 Q C 2.160 177.928 176.000 -0.387 0.000 0.970 350 Q CA 2.356 57.845 55.803 -0.524 0.000 0.855 350 Q CB -0.722 27.879 28.738 -0.229 0.000 0.911 350 Q HN 0.285 nan 8.270 nan 0.000 0.438 351 A N -0.214 122.452 122.820 -0.257 0.000 1.968 351 A HA -0.037 4.283 4.320 0.000 0.000 0.217 351 A C 1.986 179.471 177.584 -0.165 0.000 1.169 351 A CA 1.014 52.959 52.037 -0.153 0.000 0.638 351 A CB -0.492 18.467 19.000 -0.068 0.000 0.812 351 A HN 0.435 nan 8.150 nan 0.000 0.446 352 L N -0.798 120.292 121.223 -0.222 0.000 2.109 352 L HA -0.105 4.235 4.340 0.000 0.000 0.207 352 L C 2.567 179.320 176.870 -0.195 0.000 1.086 352 L CA 1.544 56.297 54.840 -0.144 0.000 0.760 352 L CB -0.324 41.696 42.059 -0.066 0.000 0.910 352 L HN 0.423 nan 8.230 nan 0.000 0.437 353 K N 0.277 120.447 120.400 -0.385 0.000 2.026 353 K HA -0.206 4.114 4.320 0.000 0.000 0.208 353 K C 1.562 178.020 176.600 -0.237 0.000 1.048 353 K CA 1.822 57.875 56.287 -0.390 0.000 0.929 353 K CB 0.029 32.085 32.500 -0.739 0.000 0.713 353 K HN 0.207 nan 8.250 nan 0.000 0.439 354 D N 0.157 120.422 120.400 -0.225 0.000 2.219 354 D HA -0.103 4.537 4.640 0.000 0.000 0.205 354 D C 1.353 177.604 176.300 -0.081 0.000 0.970 354 D CA 1.103 55.022 54.000 -0.135 0.000 0.851 354 D CB -0.003 40.728 40.800 -0.115 0.000 0.943 354 D HN 0.339 nan 8.370 nan 0.000 0.488 355 A N 0.192 122.967 122.820 -0.075 0.000 2.251 355 A HA -0.023 4.297 4.320 0.000 0.000 0.209 355 A C 0.444 178.013 177.584 -0.026 0.000 1.187 355 A CA 0.209 52.225 52.037 -0.036 0.000 0.823 355 A CB 0.030 19.018 19.000 -0.020 0.000 0.846 355 A HN 0.037 nan 8.150 nan 0.000 0.486 356 D N -0.509 119.865 120.400 -0.043 0.000 2.705 356 D HA -0.142 4.498 4.640 0.000 0.000 0.240 356 D C 0.005 176.304 176.300 -0.001 0.000 1.137 356 D CA 0.873 54.859 54.000 -0.024 0.000 0.677 356 D CB -1.531 39.263 40.800 -0.011 0.000 1.049 356 D HN 0.379 nan 8.370 nan 0.000 0.427 357 V N 1.772 121.685 119.914 -0.001 0.000 2.694 357 V HA -0.070 4.050 4.120 0.000 0.000 0.306 357 V C 0.862 176.984 176.094 0.048 0.000 1.054 357 V CA 0.467 62.786 62.300 0.032 0.000 1.161 357 V CB 0.800 32.655 31.823 0.053 0.000 0.916 357 V HN 0.104 nan 8.190 nan 0.000 0.490 358 K N 6.350 126.781 120.400 0.052 0.000 2.758 358 K HA 0.626 4.946 4.320 0.000 0.000 0.250 358 K C -0.226 176.413 176.600 0.064 0.000 1.268 358 K CA 0.389 56.709 56.287 0.055 0.000 1.228 358 K CB 0.279 32.806 32.500 0.044 0.000 1.715 358 K HN 0.837 nan 8.250 nan 0.000 0.334 359 A N 1.270 124.142 122.820 0.085 0.000 2.583 359 A HA 0.496 4.816 4.320 0.000 0.000 0.292 359 A C -2.968 174.706 177.584 0.149 0.000 1.045 359 A CA -1.250 50.843 52.037 0.093 0.000 0.672 359 A CB 0.888 19.929 19.000 0.068 0.000 1.283 359 A HN 0.080 nan 8.150 nan 0.000 0.419 360 P HA 0.271 nan 4.420 nan 0.000 0.262 360 P C -0.751 176.727 177.300 0.298 0.000 1.182 360 P CA 0.601 63.869 63.100 0.281 0.000 0.761 360 P CB 0.250 32.205 31.700 0.424 0.000 0.795 361 N N 1.483 120.373 118.700 0.317 0.000 2.653 361 N HA 0.217 4.957 4.740 0.000 0.000 0.261 361 N C -1.576 174.270 175.510 0.559 0.000 1.216 361 N CA -0.286 53.025 53.050 0.434 0.000 0.784 361 N CB 0.686 39.377 38.487 0.339 0.000 1.327 361 N HN 0.056 nan 8.380 nan 0.000 0.539 362 T N 2.331 117.125 114.554 0.400 0.000 2.823 362 T HA 0.467 4.817 4.350 0.000 0.000 0.279 362 T C -0.763 173.914 174.700 -0.038 0.000 0.998 362 T CA -0.431 61.788 62.100 0.199 0.000 0.994 362 T CB 1.179 70.036 68.868 -0.018 0.000 0.960 362 T HN 0.359 nan 8.240 nan 0.000 0.448 363 L N 4.382 125.293 121.223 -0.520 0.000 2.309 363 L HA 0.756 5.096 4.340 0.000 0.000 0.282 363 L C -1.114 175.450 176.870 -0.510 0.000 1.036 363 L CA -0.338 54.062 54.840 -0.734 0.000 0.806 363 L CB 1.133 42.267 42.059 -1.542 0.000 1.220 363 L HN 0.422 nan 8.230 nan 0.000 0.429 364 V N 6.344 126.035 119.914 -0.371 0.000 2.487 364 V HA 0.545 4.665 4.120 0.000 0.000 0.298 364 V C -0.238 175.660 176.094 -0.327 0.000 1.028 364 V CA -0.462 61.626 62.300 -0.354 0.000 0.860 364 V CB 1.671 33.275 31.823 -0.366 0.000 0.991 364 V HN 0.787 nan 8.190 nan 0.000 0.427 365 M N 3.948 123.333 119.600 -0.358 0.000 2.151 365 M HA 0.612 5.092 4.480 0.000 0.000 0.290 365 M C 0.229 176.138 176.300 -0.653 0.000 0.965 365 M CA -0.213 54.830 55.300 -0.428 0.000 0.930 365 M CB 2.140 34.479 32.600 -0.435 0.000 1.560 365 M HN 0.765 nan 8.290 nan 0.000 0.438 366 G N 2.269 110.302 108.800 -1.278 0.000 2.552 366 G HA2 0.746 4.706 3.960 0.000 0.000 0.324 366 G HA3 0.746 4.706 3.960 0.000 0.000 0.324 366 G C -2.796 171.042 174.900 -1.770 0.000 1.217 366 G CA -1.386 42.395 45.100 -2.198 0.000 0.989 366 G HN 0.415 nan 8.290 nan 0.000 0.490 367 P HA 0.196 nan 4.420 nan 0.000 0.225 367 P C -1.079 175.855 177.300 -0.610 0.000 1.813 367 P CA -0.115 62.289 63.100 -1.158 0.000 1.013 367 P CB -0.087 30.448 31.700 -1.942 0.000 1.961 368 W N 2.293 123.537 121.300 -0.093 0.000 2.902 368 W HA 0.405 5.065 4.660 0.000 0.000 0.346 368 W C 0.601 177.185 176.519 0.108 0.000 1.139 368 W CA -0.814 56.541 57.345 0.017 0.000 1.139 368 W CB 0.936 30.377 29.460 -0.031 0.000 1.439 368 W HN 0.070 nan 8.180 nan 0.000 0.558 369 R N -0.152 120.561 120.500 0.356 0.000 2.517 369 R HA 0.333 4.673 4.340 0.000 0.000 0.250 369 R C -0.110 176.335 176.300 0.241 0.000 1.213 369 R CA -0.602 55.636 56.100 0.229 0.000 1.146 369 R CB -0.395 29.977 30.300 0.120 0.000 1.279 369 R HN 0.365 nan 8.270 nan 0.000 0.597 370 H N 0.044 119.182 119.070 0.113 0.000 3.107 370 H HA 0.062 4.618 4.556 0.000 0.000 0.301 370 H C -0.285 175.136 175.328 0.155 0.000 0.981 370 H CA 1.480 57.607 56.048 0.133 0.000 1.443 370 H CB 0.040 29.877 29.762 0.125 0.000 1.479 370 H HN 0.706 nan 8.280 nan 0.000 0.564 371 S N 1.872 117.355 115.700 -0.362 0.000 3.261 371 S HA -0.236 4.234 4.470 0.000 0.000 0.287 371 S C 1.832 176.427 174.600 -0.009 0.000 1.281 371 S CA 0.878 58.946 58.200 -0.221 0.000 1.053 371 S CB -1.681 61.412 63.200 -0.177 0.000 1.251 371 S HN 1.016 nan 8.310 nan 0.000 0.659 372 G N 0.460 109.270 108.800 0.017 0.000 2.470 372 G HA2 -0.073 3.887 3.960 0.000 0.000 0.220 372 G HA3 -0.073 3.887 3.960 0.000 0.000 0.220 372 G C 1.206 175.863 174.900 -0.405 0.000 1.121 372 G CA 0.913 46.019 45.100 0.010 0.000 0.766 372 G HN 0.660 nan 8.290 nan 0.000 0.553 373 V N 1.155 120.621 119.914 -0.747 0.000 2.688 373 V HA -0.111 4.009 4.120 0.000 0.000 0.256 373 V C 1.678 177.460 176.094 -0.519 0.000 1.084 373 V CA 1.708 63.347 62.300 -1.102 0.000 1.103 373 V CB -0.302 30.970 31.823 -0.919 0.000 0.688 373 V HN 0.364 nan 8.190 nan 0.000 0.480 374 N N -1.330 117.118 118.700 -0.421 0.000 2.314 374 N HA 0.139 4.879 4.740 0.000 0.000 0.200 374 N C -0.262 174.754 175.510 -0.824 0.000 1.135 374 N CA 0.267 52.988 53.050 -0.548 0.000 0.835 374 N CB 0.376 38.494 38.487 -0.615 0.000 0.989 374 N HN 0.611 nan 8.380 nan 0.000 0.478 375 Y N -0.663 119.571 120.300 -0.110 0.000 3.320 375 Y HA 0.280 4.830 4.550 0.000 0.000 0.276 375 Y C 0.376 176.252 175.900 -0.041 0.000 2.015 375 Y CA -1.163 56.904 58.100 -0.055 0.000 0.982 375 Y CB 0.218 38.655 38.460 -0.039 0.000 1.555 375 Y HN -0.233 nan 8.280 nan 0.000 0.545 376 N N 0.549 119.365 118.700 0.194 0.000 2.426 376 N HA 0.228 4.968 4.740 0.000 0.000 0.275 376 N C -0.159 175.453 175.510 0.169 0.000 1.019 376 N CA 0.114 53.248 53.050 0.140 0.000 0.941 376 N CB 1.534 40.088 38.487 0.112 0.000 1.123 376 N HN 0.865 nan 8.380 nan 0.000 0.486 377 G N 1.724 110.655 108.800 0.218 0.000 3.820 377 G HA2 0.049 4.009 3.960 0.000 0.000 0.293 377 G HA3 0.049 4.009 3.960 0.000 0.000 0.293 377 G C 0.755 175.886 174.900 0.386 0.000 1.152 377 G CA -0.275 45.042 45.100 0.362 0.000 0.921 377 G HN 0.548 nan 8.290 nan 0.000 0.544 378 S N -0.030 115.839 115.700 0.280 0.000 2.414 378 S HA 0.053 4.523 4.470 0.000 0.000 0.227 378 S C 1.461 176.172 174.600 0.184 0.000 1.022 378 S CA 1.137 59.475 58.200 0.230 0.000 0.958 378 S CB 0.144 63.418 63.200 0.122 0.000 0.797 378 S HN 0.704 nan 8.310 nan 0.000 0.493 379 T N -0.989 113.657 114.554 0.155 0.000 2.841 379 T HA 0.715 5.065 4.350 0.000 0.000 0.296 379 T C -1.587 173.173 174.700 0.100 0.000 1.166 379 T CA -0.823 61.230 62.100 -0.079 0.000 1.007 379 T CB 1.893 70.696 68.868 -0.108 0.000 1.253 379 T HN -0.028 nan 8.240 nan 0.000 0.511 380 L N 1.148 122.335 121.223 -0.060 0.000 2.676 380 L HA 0.610 4.950 4.340 0.000 0.000 0.262 380 L C 0.550 177.321 176.870 -0.165 0.000 0.965 380 L CA 1.476 56.317 54.840 0.001 0.000 0.920 380 L CB 0.821 42.981 42.059 0.168 0.000 1.260 380 L HN 1.606 nan 8.230 nan 0.000 0.422 381 G N 5.484 114.211 108.800 -0.122 0.000 2.556 381 G HA2 -0.263 3.697 3.960 0.000 0.000 0.283 381 G HA3 -0.263 3.697 3.960 0.000 0.000 0.283 381 G C -1.736 173.071 174.900 -0.154 0.000 1.177 381 G CA 0.220 45.245 45.100 -0.126 0.000 0.978 381 G HN 0.594 nan 8.290 nan 0.000 0.554 382 P HA 0.278 nan 4.420 nan 0.000 0.251 382 P C 0.839 177.947 177.300 -0.319 0.000 1.223 382 P CA 0.201 63.174 63.100 -0.212 0.000 0.796 382 P CB 0.056 31.643 31.700 -0.189 0.000 1.068 383 L N 0.592 121.569 121.223 -0.410 0.000 2.397 383 L HA 0.232 4.572 4.340 0.000 0.000 0.271 383 L C 0.640 177.061 176.870 -0.748 0.000 1.148 383 L CA 0.019 54.520 54.840 -0.565 0.000 0.825 383 L CB 0.307 41.996 42.059 -0.617 0.000 1.117 383 L HN -0.105 nan 8.230 nan 0.000 0.456 384 E N 1.981 121.752 120.200 -0.715 0.000 2.222 384 E HA 0.545 4.895 4.350 0.000 0.000 0.267 384 E C -1.364 174.850 176.600 -0.643 0.000 0.884 384 E CA -0.552 55.486 56.400 -0.603 0.000 0.764 384 E CB 2.016 31.553 29.700 -0.272 0.000 1.169 384 E HN 0.207 nan 8.360 nan 0.000 0.413 385 F N 0.349 120.293 119.950 -0.011 0.000 2.613 385 F HA 0.287 4.814 4.527 0.000 0.000 0.342 385 F C 0.779 176.610 175.800 0.052 0.000 1.066 385 F CA -1.121 56.883 58.000 0.007 0.000 1.002 385 F CB 0.762 39.668 39.000 -0.157 0.000 1.319 385 F HN 0.196 nan 8.300 nan 0.000 0.495 386 E N 1.789 122.192 120.200 0.338 0.000 1.814 386 E HA 0.398 4.748 4.350 0.000 0.000 0.264 386 E C 0.531 177.269 176.600 0.230 0.000 1.179 386 E CA 0.200 56.743 56.400 0.238 0.000 0.972 386 E CB -0.123 29.712 29.700 0.225 0.000 1.077 386 E HN 0.787 nan 8.360 nan 0.000 0.417 387 G N 3.227 112.141 108.800 0.190 0.000 2.796 387 G HA2 -0.260 3.701 3.960 0.000 0.000 0.571 387 G HA3 -0.260 3.701 3.960 0.000 0.000 0.571 387 G C -0.367 174.667 174.900 0.223 0.000 1.370 387 G CA -0.543 44.669 45.100 0.188 0.000 0.856 387 G HN 0.496 nan 8.290 nan 0.000 0.538 388 D N 0.835 121.369 120.400 0.223 0.000 2.441 388 D HA 0.331 4.971 4.640 0.000 0.000 0.243 388 D C 2.194 178.700 176.300 0.342 0.000 1.257 388 D CA 0.874 55.025 54.000 0.252 0.000 1.027 388 D CB -0.109 40.812 40.800 0.202 0.000 1.084 388 D HN 0.783 nan 8.370 nan 0.000 0.514 389 T N 0.553 115.332 114.554 0.375 0.000 2.803 389 T HA -0.189 4.162 4.350 0.000 0.000 0.269 389 T C 1.821 176.971 174.700 0.749 0.000 1.052 389 T CA 1.081 63.502 62.100 0.536 0.000 1.136 389 T CB -0.095 68.879 68.868 0.176 0.000 0.864 389 T HN 0.245 nan 8.240 nan 0.000 0.467 390 A N 1.378 124.535 122.820 0.561 0.000 1.873 390 A HA -0.063 4.257 4.320 0.000 0.000 0.215 390 A C 2.234 179.962 177.584 0.240 0.000 1.186 390 A CA 1.913 54.081 52.037 0.218 0.000 0.616 390 A CB -1.273 17.618 19.000 -0.183 0.000 0.823 390 A HN 0.723 nan 8.150 nan 0.000 0.442 391 H N -0.177 118.973 119.070 0.134 0.000 2.353 391 H HA -0.115 4.441 4.556 0.000 0.000 0.300 391 H C 2.119 177.498 175.328 0.084 0.000 1.090 391 H CA 2.193 58.283 56.048 0.070 0.000 1.327 391 H CB -0.237 29.558 29.762 0.054 0.000 1.383 391 H HN 0.590 nan 8.280 nan 0.000 0.508 392 Q N -1.061 118.823 119.800 0.139 0.000 2.077 392 Q HA -0.255 4.085 4.340 0.000 0.000 0.206 392 Q C 2.044 178.012 176.000 -0.054 0.000 0.989 392 Q CA 2.005 57.847 55.803 0.064 0.000 0.853 392 Q CB -0.377 28.544 28.738 0.305 0.000 0.907 392 Q HN 0.681 nan 8.270 nan 0.000 0.418 393 Y N 0.957 121.222 120.300 -0.059 0.000 2.163 393 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 393 Y C 2.171 178.003 175.900 -0.114 0.000 1.136 393 Y CA 1.332 59.334 58.100 -0.163 0.000 1.147 393 Y CB 0.050 38.523 38.460 0.022 0.000 0.987 393 Y HN -0.094 nan 8.280 nan 0.000 0.509 394 R N 0.080 120.410 120.500 -0.283 0.000 2.096 394 R HA -0.212 4.128 4.340 0.000 0.000 0.240 394 R C 2.527 178.525 176.300 -0.502 0.000 1.139 394 R CA 1.966 57.831 56.100 -0.391 0.000 0.952 394 R CB -0.405 29.777 30.300 -0.196 0.000 0.854 394 R HN 0.377 nan 8.270 nan 0.000 0.436 395 R N 0.409 120.612 120.500 -0.494 0.000 2.075 395 R HA -0.083 4.257 4.340 0.000 0.000 0.226 395 R C 0.883 176.995 176.300 -0.314 0.000 1.114 395 R CA 1.515 57.346 56.100 -0.448 0.000 0.972 395 R CB 0.207 30.193 30.300 -0.524 0.000 0.869 395 R HN 0.125 nan 8.270 nan 0.000 0.437 396 D N -0.718 119.517 120.400 -0.275 0.000 2.346 396 D HA 0.015 4.655 4.640 0.000 0.000 0.206 396 D C 1.423 177.632 176.300 -0.153 0.000 1.001 396 D CA 0.561 54.452 54.000 -0.181 0.000 0.871 396 D CB 0.856 41.570 40.800 -0.143 0.000 0.943 396 D HN 0.105 nan 8.370 nan 0.000 0.518 397 V N -0.058 119.710 119.914 -0.244 0.000 3.054 397 V HA 0.008 4.128 4.120 0.000 0.000 0.227 397 V C 1.715 177.725 176.094 -0.140 0.000 1.252 397 V CA -0.139 62.055 62.300 -0.176 0.000 1.279 397 V CB -0.068 31.651 31.823 -0.173 0.000 1.118 397 V HN -0.041 nan 8.190 nan 0.000 0.504 398 F N 2.472 122.008 119.950 -0.689 0.000 2.046 398 F HA -0.181 4.347 4.527 0.000 0.000 0.297 398 F C 2.592 178.256 175.800 -0.226 0.000 1.123 398 F CA 2.607 60.289 58.000 -0.530 0.000 1.199 398 F CB -0.593 37.895 39.000 -0.853 0.000 0.972 398 F HN 0.109 nan 8.300 nan 0.000 0.474 399 R N 0.716 121.025 120.500 -0.317 0.000 2.082 399 R HA -0.117 4.223 4.340 0.000 0.000 0.234 399 R C -0.828 175.459 176.300 -0.022 0.000 1.136 399 R CA 2.054 57.901 56.100 -0.421 0.000 0.935 399 R CB -1.905 28.009 30.300 -0.643 0.000 0.842 399 R HN 0.182 nan 8.270 nan 0.000 0.430 400 P HA -0.100 nan 4.420 nan 0.000 0.216 400 P C 0.993 178.395 177.300 0.171 0.000 1.150 400 P CA 1.144 64.280 63.100 0.060 0.000 0.837 400 P CB -0.211 31.505 31.700 0.027 0.000 0.786 401 F N -1.238 118.802 119.950 0.150 0.000 2.146 401 F HA -0.169 4.358 4.527 0.000 0.000 0.298 401 F C 1.954 178.013 175.800 0.432 0.000 1.096 401 F CA 1.298 59.459 58.000 0.269 0.000 1.275 401 F CB -0.467 38.738 39.000 0.342 0.000 1.008 401 F HN -0.237 nan 8.300 nan 0.000 0.480 402 F N 1.246 121.371 119.950 0.293 0.000 2.102 402 F HA -0.181 4.346 4.527 0.000 0.000 0.298 402 F C 2.293 178.202 175.800 0.182 0.000 1.105 402 F CA 1.655 59.814 58.000 0.264 0.000 1.239 402 F CB -1.051 38.192 39.000 0.405 0.000 0.991 402 F HN -0.036 nan 8.300 nan 0.000 0.474 403 D N -0.141 120.448 120.400 0.315 0.000 2.149 403 D HA -0.207 4.433 4.640 0.000 0.000 0.198 403 D C 2.179 178.444 176.300 -0.059 0.000 0.990 403 D CA 1.219 55.307 54.000 0.147 0.000 0.839 403 D CB -0.427 40.433 40.800 0.100 0.000 0.948 403 D HN 0.414 nan 8.370 nan 0.000 0.460 404 E N -0.628 119.451 120.200 -0.202 0.000 2.085 404 E HA -0.216 4.134 4.350 0.000 0.000 0.194 404 E C 1.297 177.530 176.600 -0.611 0.000 0.994 404 E CA 1.107 57.213 56.400 -0.490 0.000 0.801 404 E CB -0.053 29.167 29.700 -0.800 0.000 0.743 404 E HN 0.445 nan 8.360 nan 0.000 0.453 405 Y N -0.908 119.263 120.300 -0.214 0.000 2.478 405 Y HA 0.185 4.735 4.550 0.000 0.000 0.261 405 Y C 1.686 177.477 175.900 -0.181 0.000 1.127 405 Y CA -0.017 57.948 58.100 -0.224 0.000 1.288 405 Y CB 0.561 38.820 38.460 -0.334 0.000 1.084 405 Y HN 0.011 nan 8.280 nan 0.000 0.530 406 L N -0.765 120.437 121.223 -0.035 0.000 2.642 406 L HA 0.181 4.521 4.340 0.000 0.000 0.233 406 L C 0.163 176.966 176.870 -0.112 0.000 1.077 406 L CA 0.437 55.239 54.840 -0.063 0.000 0.879 406 L CB 0.384 42.435 42.059 -0.013 0.000 1.151 406 L HN -0.161 nan 8.230 nan 0.000 0.495 407 K N 1.270 121.610 120.400 -0.100 0.000 2.540 407 K HA 0.323 4.643 4.320 0.000 0.000 0.218 407 K C -2.463 174.078 176.600 -0.099 0.000 1.017 407 K CA -1.837 54.383 56.287 -0.113 0.000 1.029 407 K CB 1.213 33.653 32.500 -0.101 0.000 1.348 407 K HN -0.218 nan 8.250 nan 0.000 0.508 408 P HA -0.142 nan 4.420 nan 0.000 0.263 408 P C 0.852 178.107 177.300 -0.076 0.000 1.168 408 P CA 1.278 64.328 63.100 -0.083 0.000 0.759 408 P CB 0.592 32.250 31.700 -0.071 0.000 0.782 409 G N 1.462 110.217 108.800 -0.075 0.000 2.234 409 G HA2 -0.236 3.724 3.960 0.000 0.000 0.235 409 G HA3 -0.236 3.724 3.960 0.000 0.000 0.235 409 G C 0.445 175.304 174.900 -0.068 0.000 0.997 409 G CA 0.047 45.109 45.100 -0.063 0.000 0.623 409 G HN 0.597 nan 8.290 nan 0.000 0.514 410 S N 1.045 116.695 115.700 -0.084 0.000 2.579 410 S HA 0.580 5.050 4.470 0.000 0.000 0.275 410 S C 0.956 175.500 174.600 -0.094 0.000 1.345 410 S CA 0.207 58.358 58.200 -0.082 0.000 1.031 410 S CB 1.291 64.439 63.200 -0.086 0.000 0.892 410 S HN 1.622 nan 8.310 nan 0.000 0.529 411 A N 2.677 125.455 122.820 -0.071 0.000 2.483 411 A HA 0.376 4.696 4.320 0.000 0.000 0.238 411 A C 0.628 178.149 177.584 -0.105 0.000 1.070 411 A CA -0.204 51.794 52.037 -0.065 0.000 0.770 411 A CB 0.022 19.000 19.000 -0.036 0.000 1.008 411 A HN 0.669 nan 8.150 nan 0.000 0.497 412 S N -0.609 115.026 115.700 -0.109 0.000 2.601 412 S HA 0.505 4.975 4.470 0.000 0.000 0.271 412 S C 0.132 174.633 174.600 -0.166 0.000 1.305 412 S CA -0.064 58.018 58.200 -0.198 0.000 1.022 412 S CB 1.105 64.176 63.200 -0.215 0.000 0.940 412 S HN 1.411 nan 8.310 nan 0.000 0.525 413 V N 0.814 120.594 119.914 -0.223 0.000 2.769 413 V HA 0.604 4.724 4.120 0.000 0.000 0.312 413 V C -0.997 174.975 176.094 -0.203 0.000 1.061 413 V CA -0.688 61.566 62.300 -0.076 0.000 0.931 413 V CB 1.727 33.603 31.823 0.088 0.000 1.010 413 V HN 0.919 nan 8.190 nan 0.000 0.433 414 H N 4.759 123.911 119.070 0.137 0.000 2.530 414 H HA 0.470 5.026 4.556 0.000 0.000 0.246 414 H C -0.635 174.793 175.328 0.166 0.000 1.346 414 H CA -0.304 55.834 56.048 0.150 0.000 1.424 414 H CB 1.322 31.146 29.762 0.103 0.000 1.445 414 H HN 0.583 nan 8.280 nan 0.000 0.511 415 L N 4.271 125.652 121.223 0.262 0.000 2.397 415 L HA 0.222 4.562 4.340 0.000 0.000 0.271 415 L C -1.434 175.564 176.870 0.212 0.000 1.148 415 L CA -1.577 53.392 54.840 0.214 0.000 0.825 415 L CB 0.430 42.561 42.059 0.119 0.000 1.117 415 L HN 0.315 nan 8.230 nan 0.000 0.456 416 P HA 0.137 nan 4.420 nan 0.000 0.289 416 P C -0.142 177.277 177.300 0.199 0.000 1.299 416 P CA -0.457 62.766 63.100 0.205 0.000 0.766 416 P CB 0.914 32.743 31.700 0.215 0.000 1.226 417 D N -0.868 119.687 120.400 0.259 0.000 2.123 417 D HA 0.014 4.654 4.640 0.000 0.000 0.196 417 D C 0.572 177.008 176.300 0.226 0.000 0.992 417 D CA 1.597 55.822 54.000 0.375 0.000 0.833 417 D CB -0.234 40.863 40.800 0.496 0.000 0.954 417 D HN 0.531 nan 8.370 nan 0.000 0.455 418 A N -0.704 122.142 122.820 0.045 0.000 2.574 418 A HA 0.637 4.958 4.320 0.000 0.000 0.297 418 A C -1.312 176.080 177.584 -0.319 0.000 1.062 418 A CA -0.604 51.261 52.037 -0.287 0.000 0.686 418 A CB 1.270 19.915 19.000 -0.592 0.000 1.285 418 A HN 0.028 nan 8.150 nan 0.000 0.403 419 I N 2.690 122.999 120.570 -0.436 0.000 2.420 419 I HA 0.416 4.586 4.170 0.000 0.000 0.282 419 I C -0.985 174.942 176.117 -0.318 0.000 1.019 419 I CA -0.020 60.965 61.300 -0.526 0.000 1.130 419 I CB 0.999 38.587 38.000 -0.686 0.000 1.262 419 I HN 0.462 nan 8.210 nan 0.000 0.454 420 I N 5.476 125.883 120.570 -0.272 0.000 2.498 420 I HA 0.297 4.467 4.170 0.000 0.000 0.290 420 I C -0.704 175.276 176.117 -0.228 0.000 1.032 420 I CA -0.998 60.143 61.300 -0.264 0.000 1.073 420 I CB 2.087 39.824 38.000 -0.438 0.000 1.251 420 I HN 0.389 nan 8.210 nan 0.000 0.426 421 Y N 5.915 125.829 120.300 -0.642 0.000 2.425 421 Y HA 0.132 4.682 4.550 0.000 0.000 0.331 421 Y C 0.453 176.008 175.900 -0.575 0.000 1.157 421 Y CA 0.183 57.711 58.100 -0.953 0.000 1.372 421 Y CB 0.618 38.181 38.460 -1.496 0.000 1.253 421 Y HN 0.511 nan 8.280 nan 0.000 0.536 422 N N 3.612 121.766 118.700 -0.910 0.000 2.439 422 N HA 0.018 4.758 4.740 0.000 0.000 0.249 422 N C 0.384 175.620 175.510 -0.455 0.000 1.003 422 N CA 0.283 53.012 53.050 -0.535 0.000 0.942 422 N CB 1.147 39.376 38.487 -0.429 0.000 1.115 422 N HN 0.881 nan 8.380 nan 0.000 0.505 423 T N -0.104 114.381 114.554 -0.114 0.000 3.160 423 T HA 0.093 4.443 4.350 0.000 0.000 0.257 423 T C 1.333 176.095 174.700 0.103 0.000 1.147 423 T CA 0.551 62.755 62.100 0.174 0.000 1.064 423 T CB 0.217 69.252 68.868 0.279 0.000 0.949 423 T HN 0.435 nan 8.240 nan 0.000 0.526 424 G N 1.112 109.765 108.800 -0.245 0.000 2.789 424 G HA2 0.091 4.051 3.960 0.000 0.000 0.207 424 G HA3 0.091 4.051 3.960 0.000 0.000 0.207 424 G C 1.049 175.798 174.900 -0.252 0.000 1.153 424 G CA -0.005 44.834 45.100 -0.435 0.000 0.847 424 G HN 0.366 nan 8.290 nan 0.000 0.615 425 D N 0.858 121.104 120.400 -0.258 0.000 2.348 425 D HA 0.052 4.692 4.640 0.000 0.000 0.216 425 D C 0.493 176.662 176.300 -0.217 0.000 0.970 425 D CA 0.395 54.270 54.000 -0.208 0.000 0.889 425 D CB 0.102 40.782 40.800 -0.200 0.000 0.912 425 D HN 0.121 nan 8.370 nan 0.000 0.524 426 Q N -0.429 119.196 119.800 -0.292 0.000 2.459 426 Q HA -0.223 4.117 4.340 0.000 0.000 0.322 426 Q C -0.400 175.352 176.000 -0.412 0.000 1.427 426 Q CA 0.910 56.554 55.803 -0.265 0.000 0.861 426 Q CB -1.949 26.803 28.738 0.023 0.000 1.137 426 Q HN 0.601 nan 8.270 nan 0.000 0.394 427 K N -2.593 117.286 120.400 -0.869 0.000 2.607 427 K HA 0.596 4.917 4.320 0.000 0.000 0.287 427 K C -1.307 174.845 176.600 -0.747 0.000 0.996 427 K CA -1.035 54.914 56.287 -0.562 0.000 0.876 427 K CB 0.681 33.045 32.500 -0.227 0.000 1.496 427 K HN -0.021 nan 8.250 nan 0.000 0.415 428 W N 1.651 122.813 121.300 -0.231 0.000 2.287 428 W HA 0.295 4.955 4.660 0.000 0.000 0.313 428 W C -0.512 175.902 176.519 -0.175 0.000 1.267 428 W CA 0.245 57.487 57.345 -0.170 0.000 1.201 428 W CB 0.986 30.459 29.460 0.022 0.000 1.196 428 W HN 0.364 nan 8.180 nan 0.000 0.536 429 D N 2.327 122.680 120.400 -0.080 0.000 2.278 429 D HA 0.198 4.838 4.640 0.000 0.000 0.245 429 D C -1.274 174.768 176.300 -0.429 0.000 1.052 429 D CA -0.631 53.176 54.000 -0.321 0.000 0.834 429 D CB 1.304 41.705 40.800 -0.666 0.000 1.194 429 D HN 0.248 nan 8.370 nan 0.000 0.481 430 Y N 1.428 121.474 120.300 -0.423 0.000 2.369 430 Y HA 0.265 4.815 4.550 0.000 0.000 0.337 430 Y C -0.396 175.328 175.900 -0.294 0.000 0.961 430 Y CA -0.773 57.167 58.100 -0.267 0.000 1.186 430 Y CB 0.870 39.257 38.460 -0.121 0.000 1.139 430 Y HN 0.264 nan 8.280 nan 0.000 0.494 431 Y N 3.402 123.743 120.300 0.068 0.000 2.402 431 Y HA 0.289 4.839 4.550 0.000 0.000 0.332 431 Y C 1.394 177.392 175.900 0.165 0.000 0.960 431 Y CA -0.824 57.350 58.100 0.124 0.000 1.228 431 Y CB 1.212 39.760 38.460 0.147 0.000 1.120 431 Y HN 0.629 nan 8.280 nan 0.000 0.491 432 R N 1.243 121.932 120.500 0.316 0.000 2.096 432 R HA -0.093 4.247 4.340 0.000 0.000 0.240 432 R C -0.150 176.308 176.300 0.263 0.000 1.139 432 R CA 1.386 57.633 56.100 0.245 0.000 0.952 432 R CB 0.087 30.500 30.300 0.190 0.000 0.854 432 R HN 0.491 nan 8.270 nan 0.000 0.436 433 S N -1.355 114.512 115.700 0.278 0.000 2.500 433 S HA 0.430 4.900 4.470 0.000 0.000 0.301 433 S C -1.797 173.010 174.600 0.344 0.000 1.092 433 S CA -0.591 57.763 58.200 0.257 0.000 1.030 433 S CB 1.917 65.207 63.200 0.150 0.000 1.031 433 S HN 0.382 nan 8.310 nan 0.000 0.483 434 W N 4.290 125.674 121.300 0.141 0.000 3.573 434 W HA 0.486 5.146 4.660 0.000 0.000 0.306 434 W C -3.057 173.570 176.519 0.180 0.000 1.227 434 W CA -1.409 55.980 57.345 0.073 0.000 1.212 434 W CB 1.098 30.588 29.460 0.050 0.000 1.331 434 W HN 0.410 nan 8.180 nan 0.000 0.524 435 P HA 0.223 nan 4.420 nan 0.000 0.279 435 P C 0.341 177.329 177.300 -0.521 0.000 1.252 435 P CA -0.145 62.205 63.100 -1.249 0.000 0.811 435 P CB 1.579 32.479 31.700 -1.334 0.000 1.035 436 S N -0.363 115.068 115.700 -0.448 0.000 2.501 436 S HA 0.152 4.622 4.470 0.000 0.000 0.220 436 S C 0.610 175.092 174.600 -0.198 0.000 0.997 436 S CA 0.153 58.221 58.200 -0.220 0.000 0.919 436 S CB -0.729 62.385 63.200 -0.143 0.000 0.778 436 S HN 0.402 nan 8.310 nan 0.000 0.523 437 V N -0.444 119.313 119.914 -0.261 0.000 2.709 437 V HA 0.903 5.024 4.120 0.000 0.000 0.308 437 V C -0.338 175.628 176.094 -0.213 0.000 1.062 437 V CA -0.844 61.342 62.300 -0.190 0.000 0.901 437 V CB 0.460 32.197 31.823 -0.143 0.000 1.003 437 V HN 0.859 nan 8.190 nan 0.000 0.425 438 C N 1.636 120.847 119.300 -0.148 0.000 3.249 438 C HA 0.565 5.025 4.460 0.000 0.000 0.350 438 C C 1.024 175.971 174.990 -0.071 0.000 1.431 438 C CA -0.033 58.907 59.018 -0.129 0.000 1.209 438 C CB 1.208 28.855 27.740 -0.155 0.000 1.546 438 C HN 0.978 nan 8.230 nan 0.000 0.450 439 E N 1.137 121.312 120.200 -0.041 0.000 2.153 439 E HA 0.030 4.380 4.350 0.000 0.000 0.194 439 E C 0.676 177.272 176.600 -0.008 0.000 0.988 439 E CA 1.786 58.185 56.400 -0.001 0.000 0.811 439 E CB 0.074 29.803 29.700 0.049 0.000 0.746 439 E HN 0.871 nan 8.360 nan 0.000 0.466 440 S N -1.134 114.553 115.700 -0.023 0.000 2.537 440 S HA 0.293 4.763 4.470 0.000 0.000 0.271 440 S C -0.518 174.060 174.600 -0.036 0.000 1.148 440 S CA -0.834 57.353 58.200 -0.022 0.000 0.868 440 S CB 1.233 64.427 63.200 -0.009 0.000 1.115 440 S HN 0.299 nan 8.310 nan 0.000 0.461 441 N N -0.512 118.168 118.700 -0.033 0.000 2.758 441 N HA -0.146 4.594 4.740 0.000 0.000 0.248 441 N C -0.741 174.738 175.510 -0.052 0.000 1.076 441 N CA 0.667 53.694 53.050 -0.037 0.000 0.696 441 N CB -1.719 36.746 38.487 -0.036 0.000 0.979 441 N HN 0.708 nan 8.380 nan 0.000 0.550 442 C N -1.520 117.746 119.300 -0.056 0.000 2.971 442 C HA 0.348 4.808 4.460 0.000 0.000 0.310 442 C C 2.213 177.170 174.990 -0.054 0.000 1.285 442 C CA -0.477 58.499 59.018 -0.069 0.000 1.593 442 C CB 1.639 29.317 27.740 -0.103 0.000 2.076 442 C HN 0.449 nan 8.230 nan 0.000 0.472 443 T N 0.809 115.330 114.554 -0.055 0.000 2.737 443 T HA 0.069 4.419 4.350 0.000 0.000 0.269 443 T C 0.729 175.404 174.700 -0.041 0.000 1.040 443 T CA 1.809 63.885 62.100 -0.039 0.000 1.142 443 T CB -0.183 68.664 68.868 -0.034 0.000 0.861 443 T HN 0.959 nan 8.240 nan 0.000 0.456 444 G N -1.061 107.706 108.800 -0.056 0.000 2.766 444 G HA2 0.616 4.576 3.960 0.000 0.000 0.288 444 G HA3 0.616 4.576 3.960 0.000 0.000 0.288 444 G C -0.606 174.261 174.900 -0.056 0.000 1.408 444 G CA -0.310 44.760 45.100 -0.050 0.000 0.852 444 G HN 0.352 nan 8.290 nan 0.000 0.487 445 G N -1.392 107.382 108.800 -0.043 0.000 2.601 445 G HA2 0.564 4.524 3.960 0.000 0.000 0.317 445 G HA3 0.564 4.524 3.960 0.000 0.000 0.317 445 G C -1.001 173.874 174.900 -0.041 0.000 1.246 445 G CA -0.651 44.426 45.100 -0.038 0.000 1.012 445 G HN 0.461 nan 8.290 nan 0.000 0.494 446 L N 0.090 121.294 121.223 -0.032 0.000 2.395 446 L HA 0.416 4.756 4.340 0.000 0.000 0.269 446 L C 0.795 177.657 176.870 -0.013 0.000 1.133 446 L CA -0.143 54.678 54.840 -0.031 0.000 0.812 446 L CB 1.375 43.414 42.059 -0.035 0.000 1.125 446 L HN 0.355 nan 8.230 nan 0.000 0.452 447 T N 3.998 118.551 114.554 -0.001 0.000 2.770 447 T HA 0.397 4.747 4.350 0.000 0.000 0.297 447 T C -2.457 172.265 174.700 0.037 0.000 0.997 447 T CA -1.230 60.890 62.100 0.033 0.000 0.949 447 T CB 1.109 69.997 68.868 0.032 0.000 0.941 447 T HN 0.296 nan 8.240 nan 0.000 0.457 448 P HA 0.234 nan 4.420 nan 0.000 0.271 448 P C -0.778 176.281 177.300 -0.403 0.000 1.220 448 P CA -0.709 62.185 63.100 -0.343 0.000 0.768 448 P CB 0.471 31.763 31.700 -0.680 0.000 0.848 449 L N 5.852 126.801 121.223 -0.457 0.000 2.301 449 L HA 0.390 4.730 4.340 0.000 0.000 0.278 449 L C -1.178 175.404 176.870 -0.480 0.000 1.022 449 L CA -0.822 53.687 54.840 -0.552 0.000 0.854 449 L CB -0.486 41.242 42.059 -0.552 0.000 1.226 449 L HN 0.201 nan 8.230 nan 0.000 0.429 450 Y N 4.176 124.321 120.300 -0.258 0.000 2.309 450 Y HA 0.353 4.903 4.550 0.000 0.000 0.327 450 Y C 0.227 175.970 175.900 -0.262 0.000 1.172 450 Y CA -0.391 57.568 58.100 -0.236 0.000 1.280 450 Y CB 0.648 38.973 38.460 -0.224 0.000 1.234 450 Y HN 0.365 nan 8.280 nan 0.000 0.512 451 L N 2.630 123.777 121.223 -0.126 0.000 2.439 451 L HA 0.517 4.857 4.340 0.000 0.000 0.269 451 L C 0.331 177.075 176.870 -0.210 0.000 1.179 451 L CA 0.108 54.757 54.840 -0.319 0.000 0.828 451 L CB 0.203 41.897 42.059 -0.608 0.000 1.106 451 L HN 0.843 nan 8.230 nan 0.000 0.467 452 A N 1.727 124.384 122.820 -0.271 0.000 2.552 452 A HA 0.465 4.785 4.320 0.000 0.000 0.288 452 A C -0.818 176.469 177.584 -0.495 0.000 1.193 452 A CA -0.735 51.111 52.037 -0.318 0.000 0.713 452 A CB 0.682 19.608 19.000 -0.123 0.000 1.305 452 A HN 0.610 nan 8.150 nan 0.000 0.424 453 D N -0.379 119.811 120.400 -0.351 0.000 2.419 453 D HA 0.350 4.990 4.640 0.000 0.000 0.236 453 D C 1.257 177.475 176.300 -0.137 0.000 1.165 453 D CA 2.109 55.975 54.000 -0.224 0.000 0.882 453 D CB 0.539 41.318 40.800 -0.036 0.000 1.201 453 D HN 1.488 nan 8.370 nan 0.000 0.443 454 G N 2.058 110.797 108.800 -0.102 0.000 2.198 454 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 454 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 454 G C 0.302 175.227 174.900 0.043 0.000 1.025 454 G CA 0.858 45.957 45.100 -0.002 0.000 0.769 454 G HN 0.860 nan 8.290 nan 0.000 0.507 455 H N -2.249 116.756 119.070 -0.110 0.000 2.692 455 H HA -0.073 4.484 4.556 0.000 0.000 0.316 455 H C 1.450 176.764 175.328 -0.022 0.000 1.176 455 H CA 1.981 57.907 56.048 -0.203 0.000 1.142 455 H CB -1.263 28.297 29.762 -0.337 0.000 1.475 455 H HN 1.315 nan 8.280 nan 0.000 0.423 456 G N -0.596 108.270 108.800 0.110 0.000 2.601 456 G HA2 0.716 4.676 3.960 0.000 0.000 0.317 456 G HA3 0.716 4.676 3.960 0.000 0.000 0.317 456 G C -0.718 174.223 174.900 0.069 0.000 1.246 456 G CA -0.943 44.201 45.100 0.073 0.000 1.012 456 G HN 0.167 nan 8.290 nan 0.000 0.494 457 L N 0.116 121.330 121.223 -0.015 0.000 2.431 457 L HA 0.663 5.003 4.340 0.000 0.000 0.266 457 L C -0.366 176.418 176.870 -0.143 0.000 0.978 457 L CA -0.719 54.057 54.840 -0.107 0.000 0.822 457 L CB 2.396 44.364 42.059 -0.152 0.000 1.310 457 L HN 0.595 nan 8.230 nan 0.000 0.409 458 S N 0.731 116.332 115.700 -0.165 0.000 2.533 458 S HA 0.506 4.976 4.470 0.000 0.000 0.271 458 S C 0.012 174.555 174.600 -0.096 0.000 1.143 458 S CA -0.491 57.641 58.200 -0.113 0.000 0.891 458 S CB 1.032 64.232 63.200 -0.000 0.000 1.105 458 S HN 0.465 nan 8.310 nan 0.000 0.468 459 F N 1.844 121.844 119.950 0.083 0.000 2.748 459 F HA 0.128 4.655 4.527 0.000 0.000 0.299 459 F C 1.493 177.424 175.800 0.218 0.000 1.154 459 F CA 0.390 58.458 58.000 0.114 0.000 1.446 459 F CB 0.269 39.298 39.000 0.048 0.000 1.112 459 F HN 0.381 nan 8.300 nan 0.000 0.584 460 T N -0.768 113.966 114.554 0.300 0.000 2.771 460 T HA 0.053 4.403 4.350 0.000 0.000 0.291 460 T C -0.503 174.227 174.700 0.049 0.000 0.954 460 T CA -0.383 61.829 62.100 0.187 0.000 1.045 460 T CB 0.211 69.142 68.868 0.106 0.000 0.917 460 T HN 0.134 nan 8.240 nan 0.000 0.484 461 H N 4.945 123.871 119.070 -0.240 0.000 3.026 461 H HA 0.210 4.766 4.556 0.000 0.000 0.289 461 H C -2.150 172.934 175.328 -0.406 0.000 1.022 461 H CA -1.532 54.040 56.048 -0.794 0.000 1.477 461 H CB 0.384 29.774 29.762 -0.619 0.000 1.510 461 H HN 0.287 nan 8.280 nan 0.000 0.535 462 P HA 0.068 nan 4.420 nan 0.000 0.276 462 P C -0.116 177.231 177.300 0.079 0.000 1.243 462 P CA -0.098 62.985 63.100 -0.028 0.000 0.768 462 P CB 1.396 33.068 31.700 -0.047 0.000 0.856 463 A N 3.808 126.638 122.820 0.016 0.000 1.898 463 A HA 0.149 4.469 4.320 0.000 0.000 0.216 463 A C 1.223 178.799 177.584 -0.013 0.000 1.181 463 A CA 1.312 53.335 52.037 -0.023 0.000 0.620 463 A CB -1.015 17.955 19.000 -0.050 0.000 0.819 463 A HN 0.611 nan 8.150 nan 0.000 0.442 464 A N 0.593 123.408 122.820 -0.008 0.000 2.371 464 A HA 0.441 4.761 4.320 0.000 0.000 0.257 464 A C -0.405 177.162 177.584 -0.028 0.000 1.089 464 A CA -0.475 51.553 52.037 -0.015 0.000 0.794 464 A CB 0.118 19.110 19.000 -0.012 0.000 1.029 464 A HN 0.464 nan 8.150 nan 0.000 0.488 465 D N 0.186 120.559 120.400 -0.045 0.000 2.313 465 D HA 0.526 5.166 4.640 0.000 0.000 0.247 465 D C 0.351 176.470 176.300 -0.302 0.000 1.094 465 D CA 0.941 54.879 54.000 -0.105 0.000 0.925 465 D CB 1.689 42.517 40.800 0.047 0.000 1.188 465 D HN 0.779 nan 8.370 nan 0.000 0.430 466 G N -1.108 107.229 108.800 -0.772 0.000 2.559 466 G HA2 0.625 4.585 3.960 0.000 0.000 0.291 466 G HA3 0.625 4.585 3.960 0.000 0.000 0.291 466 G C -2.003 172.166 174.900 -1.218 0.000 1.424 466 G CA -0.426 44.156 45.100 -0.863 0.000 0.786 466 G HN 0.608 nan 8.290 nan 0.000 0.485 467 A N 0.177 122.630 122.820 -0.611 0.000 2.566 467 A HA 0.734 5.054 4.320 0.000 0.000 0.297 467 A C -2.104 175.497 177.584 0.028 0.000 1.059 467 A CA -0.654 51.216 52.037 -0.278 0.000 0.691 467 A CB 1.994 20.914 19.000 -0.134 0.000 1.282 467 A HN 0.478 nan 8.150 nan 0.000 0.401 468 D N 1.263 121.764 120.400 0.167 0.000 2.505 468 D HA 0.645 5.285 4.640 0.000 0.000 0.249 468 D C -0.393 176.050 176.300 0.239 0.000 1.082 468 D CA 0.070 54.190 54.000 0.199 0.000 0.839 468 D CB 2.122 43.047 40.800 0.210 0.000 1.317 468 D HN 0.397 nan 8.370 nan 0.000 0.497 469 S N 1.071 116.895 115.700 0.208 0.000 2.681 469 S HA 0.775 5.245 4.470 0.000 0.000 0.299 469 S C -0.725 174.044 174.600 0.283 0.000 1.113 469 S CA -0.803 57.508 58.200 0.184 0.000 1.013 469 S CB 1.241 64.503 63.200 0.103 0.000 1.076 469 S HN 0.499 nan 8.310 nan 0.000 0.534 470 Y N -2.285 118.099 120.300 0.140 0.000 2.581 470 Y HA 0.733 5.283 4.550 0.000 0.000 0.337 470 Y C -1.534 174.429 175.900 0.105 0.000 1.108 470 Y CA -1.416 56.753 58.100 0.115 0.000 1.033 470 Y CB 0.342 38.875 38.460 0.121 0.000 1.318 470 Y HN 0.330 nan 8.280 nan 0.000 0.459 471 V N 2.456 122.490 119.914 0.201 0.000 2.439 471 V HA 0.499 4.619 4.120 0.000 0.000 0.282 471 V C -0.225 175.976 176.094 0.179 0.000 1.039 471 V CA -0.411 61.952 62.300 0.105 0.000 0.913 471 V CB 1.482 33.359 31.823 0.090 0.000 0.983 471 V HN 0.815 nan 8.190 nan 0.000 0.460 472 S N 3.223 118.983 115.700 0.100 0.000 2.601 472 S HA 0.294 4.764 4.470 0.000 0.000 0.312 472 S C -0.768 173.885 174.600 0.087 0.000 1.107 472 S CA -0.674 57.602 58.200 0.126 0.000 1.129 472 S CB 0.339 63.582 63.200 0.072 0.000 0.982 472 S HN 0.827 nan 8.310 nan 0.000 0.469 473 D N 5.273 125.741 120.400 0.114 0.000 2.329 473 D HA 0.431 5.071 4.640 0.000 0.000 0.232 473 D C -1.756 174.593 176.300 0.080 0.000 1.088 473 D CA -2.254 51.813 54.000 0.112 0.000 0.835 473 D CB 1.890 42.793 40.800 0.172 0.000 1.078 473 D HN 0.216 nan 8.370 nan 0.000 0.495 474 P HA -0.025 nan 4.420 nan 0.000 0.225 474 P C 0.813 178.011 177.300 -0.170 0.000 1.148 474 P CA 0.709 63.791 63.100 -0.030 0.000 0.779 474 P CB 0.268 32.020 31.700 0.087 0.000 0.780 475 A N -1.246 121.488 122.820 -0.142 0.000 2.066 475 A HA -0.116 4.204 4.320 0.000 0.000 0.218 475 A C 0.514 177.790 177.584 -0.513 0.000 1.157 475 A CA 1.158 52.999 52.037 -0.327 0.000 0.670 475 A CB -1.096 17.725 19.000 -0.298 0.000 0.804 475 A HN 0.287 nan 8.150 nan 0.000 0.453 476 H N -0.485 118.574 119.070 -0.018 0.000 2.379 476 H HA 0.284 4.840 4.556 0.000 0.000 0.229 476 H C -2.762 172.616 175.328 0.083 0.000 1.423 476 H CA -1.683 54.404 56.048 0.065 0.000 1.375 476 H CB 0.569 30.376 29.762 0.075 0.000 1.592 476 H HN 0.304 nan 8.280 nan 0.000 0.507 477 P HA 0.019 nan 4.420 nan 0.000 0.274 477 P C 0.123 177.622 177.300 0.333 0.000 1.231 477 P CA -0.380 62.783 63.100 0.106 0.000 0.790 477 P CB 1.724 33.303 31.700 -0.201 0.000 0.951 478 V N 4.104 124.202 119.914 0.306 0.000 2.479 478 V HA 0.088 4.208 4.120 0.000 0.000 0.281 478 V C -1.901 174.467 176.094 0.455 0.000 1.031 478 V CA -1.203 61.292 62.300 0.325 0.000 1.038 478 V CB -0.118 31.859 31.823 0.256 0.000 0.981 478 V HN 0.558 nan 8.190 nan 0.000 0.478 479 P HA 0.082 nan 4.420 nan 0.000 0.271 479 P C 0.487 177.953 177.300 0.276 0.000 1.220 479 P CA -0.254 63.055 63.100 0.350 0.000 0.768 479 P CB 0.345 32.090 31.700 0.075 0.000 0.848 480 F N 4.798 124.760 119.950 0.019 0.000 2.293 480 F HA 0.103 4.630 4.527 0.000 0.000 0.300 480 F C 0.556 176.236 175.800 -0.199 0.000 1.086 480 F CA 0.308 58.183 58.000 -0.209 0.000 1.375 480 F CB -0.603 37.851 39.000 -0.910 0.000 1.045 480 F HN 0.160 nan 8.300 nan 0.000 0.516 481 I N -3.206 116.823 120.570 -0.902 0.000 3.006 481 I HA 0.478 4.648 4.170 0.000 0.000 0.306 481 I C -0.317 175.539 176.117 -0.435 0.000 1.250 481 I CA -1.398 59.489 61.300 -0.689 0.000 0.996 481 I CB 1.705 39.133 38.000 -0.953 0.000 1.261 481 I HN -0.274 nan 8.210 nan 0.000 0.442 482 S N 2.515 118.060 115.700 -0.258 0.000 2.573 482 S HA 0.115 4.585 4.470 0.000 0.000 0.297 482 S C 0.251 174.763 174.600 -0.145 0.000 1.280 482 S CA -0.259 57.842 58.200 -0.165 0.000 1.061 482 S CB -0.055 63.075 63.200 -0.117 0.000 0.812 482 S HN 0.476 nan 8.310 nan 0.000 0.500 483 R N 2.848 123.269 120.500 -0.132 0.000 2.641 483 R HA 0.292 4.632 4.340 0.000 0.000 0.269 483 R C -1.944 174.323 176.300 -0.055 0.000 1.074 483 R CA -1.149 54.892 56.100 -0.099 0.000 1.133 483 R CB -0.181 30.010 30.300 -0.182 0.000 1.029 483 R HN 0.455 nan 8.270 nan 0.000 0.488 484 P HA 0.273 nan 4.420 nan 0.000 0.282 484 P C -1.337 176.008 177.300 0.076 0.000 1.259 484 P CA -0.321 62.788 63.100 0.015 0.000 0.826 484 P CB 0.785 32.487 31.700 0.004 0.000 1.064 485 F N 0.421 120.312 119.950 -0.098 0.000 2.596 485 F HA 0.630 5.157 4.527 0.000 0.000 0.311 485 F C -1.807 173.891 175.800 -0.170 0.000 1.116 485 F CA -0.610 57.300 58.000 -0.149 0.000 0.957 485 F CB 1.745 40.604 39.000 -0.234 0.000 1.250 485 F HN 0.553 nan 8.300 nan 0.000 0.444 486 A N 5.153 127.280 122.820 -1.156 0.000 2.386 486 A HA 0.565 4.885 4.320 0.000 0.000 0.311 486 A C -0.323 176.399 177.584 -1.437 0.000 1.068 486 A CA -0.620 50.844 52.037 -0.955 0.000 0.743 486 A CB 0.529 19.285 19.000 -0.408 0.000 1.258 486 A HN 0.855 nan 8.150 nan 0.000 0.429 487 F N 1.615 121.063 119.950 -0.837 0.000 2.250 487 F HA -0.170 4.357 4.527 0.000 0.000 0.301 487 F C 2.592 178.153 175.800 -0.399 0.000 1.077 487 F CA 1.915 59.548 58.000 -0.610 0.000 1.348 487 F CB 0.013 38.758 39.000 -0.425 0.000 1.040 487 F HN 0.652 nan 8.300 nan 0.000 0.509 488 A N -0.609 122.116 122.820 -0.158 0.000 2.125 488 A HA -0.153 4.167 4.320 0.000 0.000 0.219 488 A C 1.268 178.812 177.584 -0.067 0.000 1.156 488 A CA 0.605 52.591 52.037 -0.085 0.000 0.671 488 A CB -0.668 18.291 19.000 -0.068 0.000 0.794 488 A HN 0.394 nan 8.150 nan 0.000 0.459 489 Q N 0.694 120.418 119.800 -0.127 0.000 2.815 489 Q HA 0.214 4.555 4.340 0.000 0.000 0.235 489 Q C 0.780 176.880 176.000 0.167 0.000 1.354 489 Q CA -0.261 55.539 55.803 -0.005 0.000 0.953 489 Q CB 0.200 28.918 28.738 -0.034 0.000 1.613 489 Q HN 0.530 nan 8.270 nan 0.000 0.572 490 S N 0.456 116.246 115.700 0.150 0.000 2.383 490 S HA -0.214 4.256 4.470 0.000 0.000 0.229 490 S C 2.045 176.786 174.600 0.235 0.000 1.030 490 S CA 1.639 59.980 58.200 0.235 0.000 1.002 490 S CB -0.076 63.211 63.200 0.145 0.000 0.829 490 S HN 0.772 nan 8.310 nan 0.000 0.467 491 S N 1.828 117.615 115.700 0.146 0.000 2.419 491 S HA -0.075 4.395 4.470 0.000 0.000 0.235 491 S C 1.664 176.345 174.600 0.135 0.000 1.019 491 S CA 0.789 59.053 58.200 0.107 0.000 0.982 491 S CB -0.296 62.941 63.200 0.061 0.000 0.789 491 S HN 0.477 nan 8.310 nan 0.000 0.490 492 R N -1.023 119.604 120.500 0.211 0.000 2.265 492 R HA 0.180 4.520 4.340 0.000 0.000 0.194 492 R C 2.010 178.479 176.300 0.283 0.000 0.931 492 R CA 0.474 56.702 56.100 0.212 0.000 1.032 492 R CB -0.191 30.252 30.300 0.238 0.000 0.980 492 R HN 0.687 nan 8.270 nan 0.000 0.497 493 W N 2.595 124.043 121.300 0.245 0.000 2.441 493 W HA -0.071 4.589 4.660 0.000 0.000 0.302 493 W C 1.054 177.753 176.519 0.300 0.000 1.191 493 W CA 0.960 58.478 57.345 0.288 0.000 1.327 493 W CB 0.055 29.731 29.460 0.360 0.000 1.128 493 W HN -0.102 nan 8.180 nan 0.000 0.522 494 K N 0.241 120.711 120.400 0.118 0.000 2.034 494 K HA -0.196 4.124 4.320 0.000 0.000 0.214 494 K C -0.993 175.538 176.600 -0.116 0.000 1.051 494 K CA 2.135 58.398 56.287 -0.041 0.000 0.931 494 K CB -1.521 31.020 32.500 0.069 0.000 0.715 494 K HN 0.145 nan 8.250 nan 0.000 0.446 495 P HA -0.042 nan 4.420 nan 0.000 0.254 495 P C 0.370 177.578 177.300 -0.153 0.000 1.620 495 P CA -0.077 62.950 63.100 -0.123 0.000 1.050 495 P CB -0.543 31.109 31.700 -0.081 0.000 1.539 496 W N 0.190 121.322 121.300 -0.279 0.000 2.374 496 W HA -0.084 4.576 4.660 0.000 0.000 0.288 496 W C 0.540 176.933 176.519 -0.210 0.000 1.218 496 W CA 0.203 57.379 57.345 -0.282 0.000 1.245 496 W CB -1.404 27.852 29.460 -0.340 0.000 1.126 496 W HN -0.140 nan 8.180 nan 0.000 0.545 497 L N 2.021 122.688 121.223 -0.928 0.000 2.465 497 L HA -0.119 4.221 4.340 0.000 0.000 0.224 497 L C 2.120 178.719 176.870 -0.450 0.000 1.145 497 L CA 0.925 55.253 54.840 -0.852 0.000 0.834 497 L CB -0.420 41.239 42.059 -0.666 0.000 0.944 497 L HN -0.009 nan 8.230 nan 0.000 0.451 498 V N -4.680 114.954 119.914 -0.466 0.000 3.376 498 V HA 0.198 4.318 4.120 0.000 0.000 0.313 498 V C 0.738 176.773 176.094 -0.098 0.000 1.393 498 V CA -0.472 61.558 62.300 -0.450 0.000 1.125 498 V CB -0.222 31.128 31.823 -0.789 0.000 1.037 498 V HN 0.127 nan 8.190 nan 0.000 0.440 499 Q N 1.628 121.398 119.800 -0.049 0.000 2.340 499 Q HA 0.270 4.610 4.340 0.000 0.000 0.249 499 Q C -0.322 175.629 176.000 -0.082 0.000 0.957 499 Q CA -0.004 55.804 55.803 0.008 0.000 0.882 499 Q CB 1.127 29.857 28.738 -0.013 0.000 1.235 499 Q HN 0.503 nan 8.270 nan 0.000 0.439 500 D N 1.642 121.832 120.400 -0.351 0.000 2.458 500 D HA -0.069 4.571 4.640 0.000 0.000 0.243 500 D C 0.189 176.328 176.300 -0.268 0.000 1.146 500 D CA 0.291 53.877 54.000 -0.689 0.000 0.877 500 D CB 0.745 40.993 40.800 -0.921 0.000 1.176 500 D HN 0.189 nan 8.370 nan 0.000 0.461 501 Q N 3.401 123.097 119.800 -0.174 0.000 2.222 501 Q HA 0.094 4.434 4.340 0.000 0.000 0.206 501 Q C 1.371 177.335 176.000 -0.059 0.000 0.877 501 Q CA -0.030 55.748 55.803 -0.042 0.000 0.958 501 Q CB 0.222 28.984 28.738 0.039 0.000 1.075 501 Q HN 0.496 nan 8.270 nan 0.000 0.483 502 R N 0.604 121.034 120.500 -0.118 0.000 2.115 502 R HA -0.126 4.214 4.340 0.000 0.000 0.230 502 R C 1.950 178.211 176.300 -0.065 0.000 1.111 502 R CA 1.021 57.067 56.100 -0.091 0.000 0.976 502 R CB 0.163 30.396 30.300 -0.110 0.000 0.870 502 R HN 0.376 nan 8.270 nan 0.000 0.445 503 E N 0.568 120.731 120.200 -0.062 0.000 2.077 503 E HA -0.198 4.152 4.350 0.000 0.000 0.193 503 E C 1.842 178.431 176.600 -0.019 0.000 0.989 503 E CA 1.255 57.630 56.400 -0.042 0.000 0.800 503 E CB -0.009 29.666 29.700 -0.043 0.000 0.746 503 E HN 0.353 nan 8.360 nan 0.000 0.452 504 A N 1.217 124.038 122.820 0.002 0.000 1.898 504 A HA -0.219 4.102 4.320 0.000 0.000 0.216 504 A C 2.054 179.627 177.584 -0.018 0.000 1.181 504 A CA 1.566 53.614 52.037 0.019 0.000 0.620 504 A CB -0.578 18.459 19.000 0.062 0.000 0.819 504 A HN 0.447 nan 8.150 nan 0.000 0.442 505 E N 0.609 120.790 120.200 -0.031 0.000 2.160 505 E HA -0.186 4.164 4.350 0.000 0.000 0.195 505 E C 1.940 178.501 176.600 -0.066 0.000 0.991 505 E CA 1.488 57.855 56.400 -0.055 0.000 0.810 505 E CB -0.108 29.559 29.700 -0.055 0.000 0.742 505 E HN 0.736 nan 8.360 nan 0.000 0.466 506 S N -0.178 115.491 115.700 -0.053 0.000 2.555 506 S HA 0.009 4.479 4.470 0.000 0.000 0.230 506 S C 0.799 175.372 174.600 -0.045 0.000 0.978 506 S CA -0.111 58.058 58.200 -0.052 0.000 0.934 506 S CB -0.090 63.084 63.200 -0.044 0.000 0.766 506 S HN 0.098 nan 8.310 nan 0.000 0.533 507 R N 1.802 122.279 120.500 -0.038 0.000 2.500 507 R HA 0.354 4.694 4.340 0.000 0.000 0.277 507 R C -1.851 174.433 176.300 -0.026 0.000 1.026 507 R CA -2.042 54.044 56.100 -0.023 0.000 1.058 507 R CB 0.342 30.641 30.300 -0.003 0.000 1.078 507 R HN 0.115 nan 8.270 nan 0.000 0.509 508 P HA -0.054 nan 4.420 nan 0.000 0.241 508 P C -0.366 176.979 177.300 0.076 0.000 1.191 508 P CA 0.815 63.929 63.100 0.024 0.000 0.771 508 P CB 0.237 31.956 31.700 0.031 0.000 0.929 509 D N -0.415 120.025 120.400 0.066 0.000 2.491 509 D HA 0.152 4.792 4.640 0.000 0.000 0.228 509 D C -0.167 176.060 176.300 -0.122 0.000 1.183 509 D CA -0.810 53.270 54.000 0.135 0.000 0.827 509 D CB -0.231 40.673 40.800 0.172 0.000 0.989 509 D HN -0.064 nan 8.370 nan 0.000 0.494 510 V N 0.397 120.164 119.914 -0.244 0.000 2.777 510 V HA 0.328 4.448 4.120 0.000 0.000 0.306 510 V C -0.366 175.546 176.094 -0.302 0.000 1.112 510 V CA -1.194 60.891 62.300 -0.360 0.000 0.917 510 V CB 2.321 34.052 31.823 -0.154 0.000 1.018 510 V HN 0.180 nan 8.190 nan 0.000 0.426 511 V N 1.356 121.076 119.914 -0.323 0.000 2.435 511 V HA 0.869 4.989 4.120 0.000 0.000 0.290 511 V C -0.118 175.939 176.094 -0.062 0.000 1.030 511 V CA -0.164 62.071 62.300 -0.108 0.000 0.881 511 V CB 1.470 33.362 31.823 0.114 0.000 0.983 511 V HN 0.826 nan 8.190 nan 0.000 0.445 512 T N 4.883 119.328 114.554 -0.182 0.000 2.841 512 T HA 0.739 5.089 4.350 0.000 0.000 0.283 512 T C -1.254 173.281 174.700 -0.274 0.000 1.000 512 T CA -0.151 61.879 62.100 -0.117 0.000 0.977 512 T CB 1.244 70.049 68.868 -0.104 0.000 0.979 512 T HN 0.660 nan 8.240 nan 0.000 0.446 513 Y N 1.319 121.650 120.300 0.051 0.000 2.499 513 Y HA 0.596 5.146 4.550 0.000 0.000 0.347 513 Y C 0.323 176.218 175.900 -0.009 0.000 0.987 513 Y CA -1.127 56.992 58.100 0.032 0.000 1.044 513 Y CB 1.857 40.310 38.460 -0.013 0.000 1.245 513 Y HN 0.713 nan 8.280 nan 0.000 0.461 514 E N -0.676 119.596 120.200 0.120 0.000 2.372 514 E HA 0.521 4.871 4.350 0.000 0.000 0.279 514 E C -1.225 175.384 176.600 0.014 0.000 0.946 514 E CA -1.174 55.253 56.400 0.046 0.000 0.769 514 E CB 1.891 31.610 29.700 0.032 0.000 1.230 514 E HN 0.544 nan 8.360 nan 0.000 0.442 515 T N -0.349 114.192 114.554 -0.022 0.000 2.770 515 T HA 0.250 4.600 4.350 0.000 0.000 0.281 515 T C 0.427 175.131 174.700 0.006 0.000 0.981 515 T CA -0.789 61.292 62.100 -0.031 0.000 0.955 515 T CB 0.771 69.602 68.868 -0.062 0.000 1.060 515 T HN 0.451 nan 8.240 nan 0.000 0.531 516 E N 0.124 120.334 120.200 0.016 0.000 2.369 516 E HA 0.229 4.580 4.350 0.000 0.000 0.255 516 E C 0.114 176.740 176.600 0.044 0.000 1.172 516 E CA -0.500 55.918 56.400 0.029 0.000 0.932 516 E CB 1.083 30.803 29.700 0.033 0.000 1.040 516 E HN 0.608 nan 8.360 nan 0.000 0.454 517 V N 2.136 122.079 119.914 0.049 0.000 2.529 517 V HA 0.038 4.158 4.120 0.000 0.000 0.292 517 V C 0.110 176.251 176.094 0.079 0.000 1.028 517 V CA -0.197 62.144 62.300 0.067 0.000 1.074 517 V CB -0.377 31.480 31.823 0.057 0.000 0.958 517 V HN 0.399 nan 8.190 nan 0.000 0.481 518 L N 6.368 127.655 121.223 0.107 0.000 2.462 518 L HA 0.235 4.575 4.340 0.000 0.000 0.272 518 L C 1.042 177.968 176.870 0.094 0.000 1.166 518 L CA -0.085 54.821 54.840 0.110 0.000 0.880 518 L CB 0.254 42.398 42.059 0.142 0.000 1.142 518 L HN 0.698 nan 8.230 nan 0.000 0.473 519 D N 0.891 121.337 120.400 0.076 0.000 2.271 519 D HA 0.028 4.668 4.640 0.000 0.000 0.206 519 D C 0.404 176.737 176.300 0.055 0.000 0.967 519 D CA 1.033 55.069 54.000 0.060 0.000 0.867 519 D CB 0.563 41.392 40.800 0.049 0.000 0.960 519 D HN 0.460 nan 8.370 nan 0.000 0.509 520 E N 0.652 120.887 120.200 0.059 0.000 2.293 520 E HA 0.330 4.680 4.350 0.000 0.000 0.270 520 E C -2.472 174.164 176.600 0.060 0.000 0.879 520 E CA -1.958 54.470 56.400 0.046 0.000 0.756 520 E CB 2.597 32.315 29.700 0.030 0.000 1.208 520 E HN -0.050 nan 8.360 nan 0.000 0.428 521 P HA 0.109 nan 4.420 nan 0.000 0.275 521 P C -0.336 177.007 177.300 0.071 0.000 1.228 521 P CA -0.413 62.720 63.100 0.054 0.000 0.786 521 P CB 0.802 32.505 31.700 0.005 0.000 0.927 522 V N 1.776 121.776 119.914 0.143 0.000 2.487 522 V HA 0.557 4.677 4.120 0.000 0.000 0.298 522 V C -0.376 175.838 176.094 0.200 0.000 1.028 522 V CA -0.931 61.462 62.300 0.154 0.000 0.860 522 V CB 1.516 33.454 31.823 0.192 0.000 0.991 522 V HN 0.373 nan 8.190 nan 0.000 0.427 523 R N 4.164 124.727 120.500 0.105 0.000 2.368 523 R HA 0.801 5.141 4.340 0.000 0.000 0.302 523 R C -0.702 175.665 176.300 0.113 0.000 1.002 523 R CA -0.565 55.580 56.100 0.075 0.000 0.929 523 R CB 2.006 32.323 30.300 0.028 0.000 1.073 523 R HN 0.925 nan 8.270 nan 0.000 0.464 524 V N -1.299 118.690 119.914 0.125 0.000 2.656 524 V HA 0.736 4.856 4.120 0.000 0.000 0.307 524 V C -0.528 175.622 176.094 0.092 0.000 1.051 524 V CA -0.665 61.715 62.300 0.134 0.000 0.893 524 V CB 2.053 34.022 31.823 0.243 0.000 0.999 524 V HN 0.703 nan 8.190 nan 0.000 0.426 525 S N 2.369 118.106 115.700 0.062 0.000 2.536 525 S HA 0.851 5.321 4.470 0.000 0.000 0.246 525 S C -0.158 174.446 174.600 0.006 0.000 1.077 525 S CA 0.641 58.905 58.200 0.107 0.000 1.091 525 S CB 0.465 63.731 63.200 0.109 0.000 1.148 525 S HN 2.445 nan 8.310 nan 0.000 0.447 526 G N 1.510 110.350 108.800 0.067 0.000 2.356 526 G HA2 0.314 4.274 3.960 0.000 0.000 0.266 526 G HA3 0.314 4.274 3.960 0.000 0.000 0.266 526 G C -1.135 173.712 174.900 -0.088 0.000 1.312 526 G CA 0.053 45.010 45.100 -0.239 0.000 0.922 526 G HN 1.721 nan 8.290 nan 0.000 0.480 527 V N 0.143 119.962 119.914 -0.159 0.000 2.357 527 V HA 0.799 4.919 4.120 0.000 0.000 0.284 527 V C -2.494 173.563 176.094 -0.063 0.000 1.018 527 V CA -1.830 60.425 62.300 -0.075 0.000 0.841 527 V CB 1.361 33.131 31.823 -0.088 0.000 0.991 527 V HN 0.618 nan 8.190 nan 0.000 0.437 528 P HA 0.466 nan 4.420 nan 0.000 0.274 528 P C -0.958 176.289 177.300 -0.088 0.000 1.237 528 P CA -0.297 62.774 63.100 -0.048 0.000 0.793 528 P CB 1.282 32.973 31.700 -0.015 0.000 0.977 529 V N 0.764 120.581 119.914 -0.161 0.000 2.525 529 V HA 0.562 4.682 4.120 0.000 0.000 0.299 529 V C 0.090 175.929 176.094 -0.425 0.000 1.034 529 V CA -1.088 61.032 62.300 -0.300 0.000 0.863 529 V CB 1.384 33.009 31.823 -0.330 0.000 0.999 529 V HN 0.686 nan 8.190 nan 0.000 0.423 530 A N 2.766 125.197 122.820 -0.647 0.000 2.409 530 A HA 0.521 4.841 4.320 0.000 0.000 0.267 530 A C -0.152 177.028 177.584 -0.673 0.000 1.127 530 A CA 0.057 51.668 52.037 -0.710 0.000 0.795 530 A CB 0.063 18.373 19.000 -1.149 0.000 1.061 530 A HN 0.875 nan 8.150 nan 0.000 0.502 531 D N 2.373 122.552 120.400 -0.367 0.000 2.462 531 D HA 0.439 5.079 4.640 0.000 0.000 0.249 531 D C -1.171 175.047 176.300 -0.137 0.000 1.117 531 D CA -0.100 53.807 54.000 -0.155 0.000 0.900 531 D CB 0.498 41.318 40.800 0.034 0.000 1.039 531 D HN 0.329 nan 8.370 nan 0.000 0.516 532 L N 3.829 124.924 121.223 -0.213 0.000 2.307 532 L HA 0.601 4.941 4.340 0.000 0.000 0.284 532 L C -1.525 175.203 176.870 -0.236 0.000 1.023 532 L CA -0.447 54.298 54.840 -0.158 0.000 0.810 532 L CB 0.798 42.757 42.059 -0.168 0.000 1.231 532 L HN 0.166 nan 8.230 nan 0.000 0.423 533 F N 5.307 125.275 119.950 0.030 0.000 2.359 533 F HA 0.744 5.271 4.527 0.000 0.000 0.369 533 F C 0.319 176.102 175.800 -0.027 0.000 1.084 533 F CA -0.261 57.746 58.000 0.010 0.000 1.096 533 F CB 1.289 40.273 39.000 -0.027 0.000 1.335 533 F HN 0.623 nan 8.300 nan 0.000 0.457 534 A N 2.031 124.870 122.820 0.030 0.000 2.435 534 A HA 0.960 5.280 4.320 0.000 0.000 0.304 534 A C -1.279 176.311 177.584 0.010 0.000 1.064 534 A CA -0.658 51.294 52.037 -0.142 0.000 0.727 534 A CB 1.334 19.829 19.000 -0.842 0.000 1.284 534 A HN 0.735 nan 8.150 nan 0.000 0.415 535 A N 0.330 123.208 122.820 0.097 0.000 2.380 535 A HA 0.922 5.243 4.320 0.000 0.000 0.315 535 A C -0.227 177.541 177.584 0.308 0.000 1.101 535 A CA -0.288 51.865 52.037 0.194 0.000 0.771 535 A CB 1.651 20.730 19.000 0.133 0.000 1.287 535 A HN 1.467 nan 8.150 nan 0.000 0.436 536 T N -0.687 114.047 114.554 0.300 0.000 2.909 536 T HA 0.447 4.798 4.350 0.000 0.000 0.299 536 T C 1.133 175.912 174.700 0.132 0.000 1.073 536 T CA 0.250 62.490 62.100 0.233 0.000 0.999 536 T CB 1.259 70.275 68.868 0.247 0.000 1.098 536 T HN 1.279 nan 8.240 nan 0.000 0.477 537 S N 2.325 118.073 115.700 0.079 0.000 2.453 537 S HA 0.200 4.670 4.470 0.000 0.000 0.231 537 S C 1.273 175.906 174.600 0.055 0.000 1.005 537 S CA 0.367 58.602 58.200 0.059 0.000 0.949 537 S CB -0.446 62.778 63.200 0.041 0.000 0.774 537 S HN 0.913 nan 8.310 nan 0.000 0.510 538 G N 1.066 109.899 108.800 0.056 0.000 2.508 538 G HA2 0.413 4.373 3.960 0.000 0.000 0.278 538 G HA3 0.413 4.373 3.960 0.000 0.000 0.278 538 G C 0.551 175.494 174.900 0.071 0.000 1.389 538 G CA 0.181 45.312 45.100 0.051 0.000 1.050 538 G HN 0.427 nan 8.290 nan 0.000 0.522 539 T N -3.195 111.404 114.554 0.075 0.000 3.132 539 T HA 0.328 4.678 4.350 0.000 0.000 0.274 539 T C -0.188 174.594 174.700 0.137 0.000 1.011 539 T CA -0.007 62.148 62.100 0.093 0.000 0.899 539 T CB 0.363 69.286 68.868 0.091 0.000 1.089 539 T HN 0.424 nan 8.240 nan 0.000 0.543 540 D N -0.452 120.016 120.400 0.114 0.000 2.653 540 D HA 0.642 5.282 4.640 0.000 0.000 0.258 540 D C -1.587 174.723 176.300 0.017 0.000 1.252 540 D CA -0.186 53.882 54.000 0.112 0.000 0.777 540 D CB 2.112 42.980 40.800 0.113 0.000 1.339 540 D HN 0.049 nan 8.370 nan 0.000 0.422 541 S N 0.285 115.952 115.700 -0.054 0.000 2.597 541 S HA 0.398 4.868 4.470 0.000 0.000 0.274 541 S C -2.092 172.226 174.600 -0.469 0.000 1.132 541 S CA -0.769 57.233 58.200 -0.330 0.000 0.835 541 S CB 1.412 64.242 63.200 -0.617 0.000 1.092 541 S HN 0.394 nan 8.310 nan 0.000 0.457 542 D N 0.449 120.475 120.400 -0.624 0.000 2.252 542 D HA 0.590 5.230 4.640 0.000 0.000 0.245 542 D C -1.343 174.490 176.300 -0.779 0.000 1.009 542 D CA -0.065 53.648 54.000 -0.480 0.000 0.870 542 D CB 0.993 41.667 40.800 -0.210 0.000 1.251 542 D HN 0.421 nan 8.370 nan 0.000 0.460 543 W N 1.053 122.319 121.300 -0.056 0.000 2.554 543 W HA 0.492 5.152 4.660 0.000 0.000 0.324 543 W C -0.868 175.619 176.519 -0.053 0.000 1.018 543 W CA -0.915 56.397 57.345 -0.055 0.000 1.243 543 W CB 1.333 30.706 29.460 -0.144 0.000 1.345 543 W HN -0.074 nan 8.180 nan 0.000 0.441 544 V N 4.610 124.576 119.914 0.086 0.000 2.370 544 V HA 0.516 4.636 4.120 0.000 0.000 0.283 544 V C -0.303 175.772 176.094 -0.031 0.000 1.023 544 V CA -0.955 61.245 62.300 -0.168 0.000 0.857 544 V CB 1.282 32.727 31.823 -0.631 0.000 0.985 544 V HN 0.308 nan 8.190 nan 0.000 0.443 545 V N 5.656 125.605 119.914 0.058 0.000 2.487 545 V HA 0.539 4.659 4.120 0.000 0.000 0.298 545 V C -0.265 175.874 176.094 0.075 0.000 1.028 545 V CA -0.904 61.451 62.300 0.091 0.000 0.860 545 V CB 1.933 33.837 31.823 0.135 0.000 0.991 545 V HN 0.863 nan 8.190 nan 0.000 0.427 546 K N 4.396 124.835 120.400 0.064 0.000 2.397 546 K HA 0.662 4.982 4.320 0.000 0.000 0.253 546 K C -1.410 175.253 176.600 0.104 0.000 0.932 546 K CA -0.849 55.504 56.287 0.111 0.000 0.795 546 K CB 2.700 35.272 32.500 0.120 0.000 1.159 546 K HN 0.442 nan 8.250 nan 0.000 0.424 547 L N 4.714 126.013 121.223 0.126 0.000 2.280 547 L HA 0.526 4.867 4.340 0.000 0.000 0.287 547 L C -1.259 175.720 176.870 0.180 0.000 1.023 547 L CA -0.257 54.658 54.840 0.126 0.000 0.819 547 L CB 0.621 42.755 42.059 0.126 0.000 1.212 547 L HN 0.598 nan 8.230 nan 0.000 0.420 548 I N 3.615 124.300 120.570 0.192 0.000 2.646 548 I HA 0.371 4.541 4.170 0.000 0.000 0.299 548 I C -1.014 175.320 176.117 0.361 0.000 1.036 548 I CA -0.714 60.725 61.300 0.232 0.000 1.074 548 I CB 2.173 40.274 38.000 0.168 0.000 1.258 548 I HN 0.505 nan 8.210 nan 0.000 0.430 549 D N 4.844 125.479 120.400 0.392 0.000 2.427 549 D HA 0.292 4.932 4.640 0.000 0.000 0.226 549 D C -0.927 175.607 176.300 0.391 0.000 1.076 549 D CA -0.297 54.027 54.000 0.541 0.000 0.849 549 D CB 1.373 42.442 40.800 0.448 0.000 1.052 549 D HN 0.069 nan 8.370 nan 0.000 0.515 550 V N 5.171 125.283 119.914 0.330 0.000 2.427 550 V HA 0.130 4.250 4.120 0.000 0.000 0.268 550 V C 0.831 177.004 176.094 0.131 0.000 1.046 550 V CA -0.727 61.694 62.300 0.201 0.000 0.970 550 V CB 0.847 32.745 31.823 0.127 0.000 1.001 550 V HN 0.484 nan 8.190 nan 0.000 0.476 551 Q N 5.351 125.181 119.800 0.050 0.000 2.524 551 Q HA 0.231 4.571 4.340 0.000 0.000 0.246 551 Q C -2.238 173.593 176.000 -0.282 0.000 1.063 551 Q CA -1.832 53.831 55.803 -0.234 0.000 0.945 551 Q CB -0.217 28.483 28.738 -0.064 0.000 1.292 551 Q HN 0.437 nan 8.270 nan 0.000 0.518 552 P HA -0.045 nan 4.420 nan 0.000 0.266 552 P C 0.025 177.276 177.300 -0.082 0.000 1.195 552 P CA 0.469 63.455 63.100 -0.190 0.000 0.768 552 P CB 0.411 32.025 31.700 -0.143 0.000 0.838 553 A N 3.656 126.452 122.820 -0.039 0.000 1.971 553 A HA -0.168 4.152 4.320 0.000 0.000 0.222 553 A C 0.962 178.538 177.584 -0.013 0.000 1.182 553 A CA 1.829 53.856 52.037 -0.017 0.000 0.649 553 A CB -0.670 18.326 19.000 -0.007 0.000 0.818 553 A HN 0.495 nan 8.150 nan 0.000 0.458 554 M N -0.317 119.273 119.600 -0.017 0.000 2.395 554 M HA 0.327 4.807 4.480 0.000 0.000 0.307 554 M C -0.842 175.447 176.300 -0.018 0.000 1.091 554 M CA -0.078 55.214 55.300 -0.012 0.000 0.919 554 M CB 1.717 34.313 32.600 -0.007 0.000 1.662 554 M HN 0.266 nan 8.290 nan 0.000 0.440 555 T N -0.807 113.737 114.554 -0.017 0.000 3.241 555 T HA 0.415 4.765 4.350 0.000 0.000 0.387 555 T C -2.090 172.601 174.700 -0.014 0.000 1.451 555 T CA -1.368 60.721 62.100 -0.020 0.000 1.363 555 T CB 0.572 69.422 68.868 -0.030 0.000 1.074 555 T HN 0.381 nan 8.240 nan 0.000 0.598 556 P HA -0.021 nan 4.420 nan 0.000 0.225 556 P C 0.418 177.713 177.300 -0.009 0.000 1.148 556 P CA 0.841 63.936 63.100 -0.008 0.000 0.779 556 P CB 0.294 31.992 31.700 -0.004 0.000 0.780 557 D N -0.679 119.714 120.400 -0.011 0.000 2.249 557 D HA -0.034 4.606 4.640 0.000 0.000 0.205 557 D C 0.432 176.720 176.300 -0.021 0.000 0.962 557 D CA 1.222 55.214 54.000 -0.014 0.000 0.860 557 D CB -0.172 40.621 40.800 -0.011 0.000 0.955 557 D HN 0.151 nan 8.370 nan 0.000 0.505 558 D N -1.166 119.218 120.400 -0.027 0.000 2.517 558 D HA 0.160 4.800 4.640 0.000 0.000 0.263 558 D C -2.060 174.222 176.300 -0.030 0.000 1.233 558 D CA -1.908 52.070 54.000 -0.037 0.000 0.849 558 D CB 1.357 42.122 40.800 -0.058 0.000 1.261 558 D HN -0.231 nan 8.370 nan 0.000 0.516 559 P HA -0.214 nan 4.420 nan 0.000 0.217 559 P C 1.257 178.556 177.300 -0.002 0.000 1.151 559 P CA 1.576 64.670 63.100 -0.010 0.000 0.849 559 P CB 0.108 31.803 31.700 -0.008 0.000 0.787 560 K N -1.212 119.187 120.400 -0.002 0.000 2.360 560 K HA -0.057 4.263 4.320 0.000 0.000 0.201 560 K C 1.370 178.004 176.600 0.056 0.000 1.046 560 K CA 1.225 57.525 56.287 0.021 0.000 0.945 560 K CB -0.539 31.970 32.500 0.014 0.000 0.750 560 K HN 0.070 nan 8.250 nan 0.000 0.464 561 M N 1.517 121.124 119.600 0.011 0.000 2.561 561 M HA 0.123 4.603 4.480 0.000 0.000 0.238 561 M C 0.630 176.966 176.300 0.061 0.000 1.131 561 M CA 0.115 55.423 55.300 0.013 0.000 1.046 561 M CB -0.164 32.364 32.600 -0.120 0.000 1.532 561 M HN 0.210 nan 8.290 nan 0.000 0.497 562 G N 0.492 109.315 108.800 0.039 0.000 2.307 562 G HA2 0.326 4.286 3.960 0.000 0.000 0.271 562 G HA3 0.326 4.286 3.960 0.000 0.000 0.271 562 G C 1.110 176.035 174.900 0.042 0.000 1.191 562 G CA 0.459 45.573 45.100 0.023 0.000 1.024 562 G HN 0.705 nan 8.290 nan 0.000 0.441 563 G N 1.797 110.616 108.800 0.033 0.000 2.162 563 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 563 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 563 G C 0.438 175.384 174.900 0.078 0.000 0.976 563 G CA 0.501 45.623 45.100 0.036 0.000 0.655 563 G HN 1.084 nan 8.290 nan 0.000 0.533 564 Y N 1.859 122.147 120.300 -0.021 0.000 2.721 564 Y HA 0.352 4.902 4.550 0.000 0.000 0.329 564 Y C 0.764 176.674 175.900 0.017 0.000 1.211 564 Y CA 0.528 58.623 58.100 -0.009 0.000 1.512 564 Y CB 0.449 38.897 38.460 -0.020 0.000 1.249 564 Y HN 0.343 nan 8.280 nan 0.000 0.549 565 E N 6.880 127.041 120.200 -0.065 0.000 1.936 565 E HA 0.145 4.495 4.350 0.000 0.000 0.267 565 E C -1.277 175.378 176.600 0.093 0.000 1.076 565 E CA -0.602 55.821 56.400 0.039 0.000 0.870 565 E CB 0.506 30.193 29.700 -0.021 0.000 1.093 565 E HN 0.406 nan 8.360 nan 0.000 0.411 566 L N 5.680 127.091 121.223 0.313 0.000 2.261 566 L HA 0.340 4.680 4.340 0.000 0.000 0.289 566 L C -2.579 174.424 176.870 0.223 0.000 1.059 566 L CA -2.294 52.745 54.840 0.332 0.000 0.816 566 L CB 0.364 42.609 42.059 0.311 0.000 1.191 566 L HN 0.170 nan 8.230 nan 0.000 0.431 567 P HA 0.079 nan 4.420 nan 0.000 0.276 567 P C 0.619 178.098 177.300 0.298 0.000 1.253 567 P CA -0.180 63.046 63.100 0.211 0.000 0.766 567 P CB 1.046 32.863 31.700 0.194 0.000 0.845 568 V N 0.718 120.757 119.914 0.208 0.000 3.471 568 V HA 0.258 4.378 4.120 0.000 0.000 0.258 568 V C 0.529 176.655 176.094 0.053 0.000 1.192 568 V CA 0.610 62.978 62.300 0.113 0.000 1.116 568 V CB -0.089 31.624 31.823 -0.183 0.000 0.792 568 V HN 0.534 nan 8.190 nan 0.000 0.459 569 S N 1.165 116.940 115.700 0.125 0.000 2.584 569 S HA 0.709 5.179 4.470 0.000 0.000 0.282 569 S C -0.986 173.728 174.600 0.191 0.000 1.138 569 S CA -0.659 57.614 58.200 0.121 0.000 0.987 569 S CB 0.963 64.209 63.200 0.077 0.000 1.137 569 S HN 0.626 nan 8.310 nan 0.000 0.457 570 M N 2.859 122.618 119.600 0.264 0.000 2.421 570 M HA 0.772 5.252 4.480 0.000 0.000 0.287 570 M C -1.674 174.930 176.300 0.506 0.000 1.183 570 M CA -0.719 54.796 55.300 0.358 0.000 0.916 570 M CB 2.254 35.112 32.600 0.431 0.000 1.701 570 M HN 0.457 nan 8.290 nan 0.000 0.470 571 D N 1.090 121.776 120.400 0.477 0.000 2.615 571 D HA 0.672 5.313 4.640 0.000 0.000 0.267 571 D C -1.969 174.565 176.300 0.390 0.000 1.236 571 D CA -0.409 53.950 54.000 0.598 0.000 0.839 571 D CB 3.201 44.390 40.800 0.648 0.000 1.380 571 D HN 0.856 nan 8.370 nan 0.000 0.433 572 I N 1.003 121.788 120.570 0.357 0.000 2.646 572 I HA 0.621 4.791 4.170 0.000 0.000 0.299 572 I C -1.582 174.584 176.117 0.082 0.000 1.036 572 I CA -0.879 60.472 61.300 0.085 0.000 1.074 572 I CB 1.565 39.481 38.000 -0.139 0.000 1.258 572 I HN 0.270 nan 8.210 nan 0.000 0.430 573 F N 6.761 126.565 119.950 -0.244 0.000 2.518 573 F HA 0.518 5.045 4.527 0.000 0.000 0.323 573 F C -0.408 175.337 175.800 -0.091 0.000 1.129 573 F CA -0.770 57.026 58.000 -0.339 0.000 0.920 573 F CB 1.252 39.624 39.000 -1.047 0.000 1.160 573 F HN 0.417 nan 8.300 nan 0.000 0.440 574 R N 4.091 124.388 120.500 -0.338 0.000 2.220 574 R HA 0.298 4.638 4.340 0.000 0.000 0.340 574 R C 1.317 177.649 176.300 0.054 0.000 1.076 574 R CA 0.593 56.647 56.100 -0.077 0.000 0.920 574 R CB 0.621 30.950 30.300 0.048 0.000 1.062 574 R HN 0.990 nan 8.270 nan 0.000 0.469 575 G N 5.030 113.975 108.800 0.243 0.000 2.547 575 G HA2 -0.407 3.553 3.960 0.000 0.000 0.221 575 G HA3 -0.407 3.553 3.960 0.000 0.000 0.221 575 G C 1.243 176.373 174.900 0.384 0.000 1.140 575 G CA 1.149 46.559 45.100 0.515 0.000 0.760 575 G HN 0.803 nan 8.290 nan 0.000 0.583 576 R N -0.551 120.001 120.500 0.087 0.000 2.249 576 R HA -0.079 4.261 4.340 0.000 0.000 0.230 576 R C 1.144 177.362 176.300 -0.137 0.000 1.121 576 R CA 1.349 57.419 56.100 -0.050 0.000 0.997 576 R CB -0.591 29.614 30.300 -0.157 0.000 0.867 576 R HN 0.512 nan 8.270 nan 0.000 0.465 577 Y N 0.371 120.817 120.300 0.244 0.000 2.571 577 Y HA 0.296 4.846 4.550 0.000 0.000 0.275 577 Y C 2.167 178.196 175.900 0.214 0.000 1.179 577 Y CA -0.700 57.523 58.100 0.205 0.000 1.242 577 Y CB 0.129 38.760 38.460 0.285 0.000 1.126 577 Y HN -0.021 nan 8.280 nan 0.000 0.524 578 R N 1.246 122.008 120.500 0.438 0.000 2.096 578 R HA -0.216 4.125 4.340 0.000 0.000 0.240 578 R C 1.488 177.806 176.300 0.030 0.000 1.139 578 R CA 2.030 58.319 56.100 0.315 0.000 0.952 578 R CB 0.126 30.491 30.300 0.108 0.000 0.854 578 R HN 0.316 nan 8.270 nan 0.000 0.436 579 K N -1.430 118.970 120.400 -0.001 0.000 2.168 579 K HA 0.022 4.342 4.320 0.000 0.000 0.201 579 K C -0.065 176.487 176.600 -0.080 0.000 1.049 579 K CA 0.570 56.822 56.287 -0.058 0.000 0.974 579 K CB 0.371 32.848 32.500 -0.037 0.000 0.792 579 K HN 0.038 nan 8.250 nan 0.000 0.463 580 D N -1.212 119.167 120.400 -0.036 0.000 2.890 580 D HA 0.115 4.755 4.640 0.000 0.000 0.233 580 D C -0.038 176.318 176.300 0.092 0.000 1.306 580 D CA -0.505 53.479 54.000 -0.027 0.000 0.929 580 D CB 0.899 41.728 40.800 0.050 0.000 1.512 580 D HN -0.212 nan 8.370 nan 0.000 0.568 581 F N 1.995 122.057 119.950 0.186 0.000 2.216 581 F HA -0.020 4.507 4.527 0.000 0.000 0.300 581 F C 2.418 178.180 175.800 -0.062 0.000 1.085 581 F CA 1.208 59.222 58.000 0.024 0.000 1.326 581 F CB -0.447 38.428 39.000 -0.208 0.000 1.027 581 F HN 0.502 nan 8.300 nan 0.000 0.497 582 A N -1.364 121.576 122.820 0.201 0.000 2.123 582 A HA 0.038 4.358 4.320 0.000 0.000 0.214 582 A C 0.954 178.643 177.584 0.175 0.000 1.152 582 A CA 0.633 52.741 52.037 0.117 0.000 0.728 582 A CB -0.058 18.990 19.000 0.079 0.000 0.814 582 A HN -0.025 nan 8.150 nan 0.000 0.464 583 K N 1.218 121.751 120.400 0.221 0.000 2.646 583 K HA 0.306 4.626 4.320 0.000 0.000 0.210 583 K C -3.214 173.522 176.600 0.226 0.000 1.020 583 K CA -1.874 54.530 56.287 0.194 0.000 1.040 583 K CB 1.640 34.210 32.500 0.116 0.000 1.253 583 K HN 0.163 nan 8.250 nan 0.000 0.532 584 P HA 0.175 nan 4.420 nan 0.000 0.271 584 P C -0.568 176.831 177.300 0.165 0.000 1.216 584 P CA 0.036 63.252 63.100 0.193 0.000 0.776 584 P CB 1.257 33.047 31.700 0.150 0.000 0.881 585 E N 0.312 120.509 120.200 -0.005 0.000 2.367 585 E HA 0.556 4.906 4.350 0.000 0.000 0.273 585 E C -0.702 175.533 176.600 -0.610 0.000 0.903 585 E CA -1.174 55.026 56.400 -0.333 0.000 0.764 585 E CB 2.426 32.019 29.700 -0.177 0.000 1.252 585 E HN 0.477 nan 8.360 nan 0.000 0.446 586 A N 2.613 124.769 122.820 -1.107 0.000 2.445 586 A HA 0.283 4.603 4.320 0.000 0.000 0.242 586 A C -0.167 177.273 177.584 -0.240 0.000 1.075 586 A CA -0.016 51.565 52.037 -0.760 0.000 0.777 586 A CB 0.108 18.701 19.000 -0.677 0.000 1.013 586 A HN 0.513 nan 8.150 nan 0.000 0.493 587 L N 1.019 122.209 121.223 -0.055 0.000 2.375 587 L HA 0.280 4.620 4.340 0.000 0.000 0.271 587 L C 0.534 177.418 176.870 0.023 0.000 1.107 587 L CA -0.621 54.244 54.840 0.041 0.000 0.806 587 L CB 0.941 43.102 42.059 0.170 0.000 1.146 587 L HN 0.805 nan 8.230 nan 0.000 0.447 588 Q N 4.128 123.944 119.800 0.027 0.000 2.296 588 Q HA 0.215 4.555 4.340 0.000 0.000 0.263 588 Q C -2.361 173.670 176.000 0.051 0.000 1.026 588 Q CA -1.463 54.352 55.803 0.019 0.000 0.912 588 Q CB 0.836 29.578 28.738 0.006 0.000 1.198 588 Q HN 0.146 nan 8.270 nan 0.000 0.407 589 P HA 0.001 nan 4.420 nan 0.000 0.267 589 P C -0.823 176.510 177.300 0.055 0.000 1.205 589 P CA 0.366 63.501 63.100 0.057 0.000 0.765 589 P CB 0.567 32.293 31.700 0.042 0.000 0.828 590 D N -0.814 119.629 120.400 0.071 0.000 3.077 590 D HA -0.179 4.461 4.640 0.000 0.000 0.212 590 D C 0.063 176.397 176.300 0.057 0.000 1.125 590 D CA 1.387 55.425 54.000 0.063 0.000 0.970 590 D CB -1.438 39.389 40.800 0.045 0.000 1.110 590 D HN 0.523 nan 8.370 nan 0.000 0.419 591 A N 0.311 123.168 122.820 0.061 0.000 2.301 591 A HA 0.558 4.878 4.320 0.000 0.000 0.312 591 A C 0.498 178.120 177.584 0.062 0.000 1.182 591 A CA -0.120 51.943 52.037 0.043 0.000 0.826 591 A CB 0.983 20.000 19.000 0.028 0.000 1.134 591 A HN -0.017 nan 8.150 nan 0.000 0.501 592 T N 3.684 118.261 114.554 0.038 0.000 2.727 592 T HA 0.441 4.791 4.350 0.000 0.000 0.295 592 T C -0.070 174.660 174.700 0.050 0.000 0.915 592 T CA 0.434 62.566 62.100 0.054 0.000 1.066 592 T CB -0.574 68.291 68.868 -0.004 0.000 0.891 592 T HN 0.414 nan 8.240 nan 0.000 0.516 593 L N 2.739 123.979 121.223 0.028 0.000 2.334 593 L HA 0.457 4.797 4.340 0.000 0.000 0.272 593 L C 0.516 177.227 176.870 -0.266 0.000 1.020 593 L CA -1.089 53.671 54.840 -0.133 0.000 0.812 593 L CB 1.499 43.399 42.059 -0.266 0.000 1.264 593 L HN 0.622 nan 8.230 nan 0.000 0.439 594 H N 1.716 120.477 119.070 -0.514 0.000 2.594 594 H HA 0.334 4.890 4.556 0.000 0.000 0.304 594 H C -1.559 173.329 175.328 -0.733 0.000 1.068 594 H CA -0.546 55.082 56.048 -0.700 0.000 1.308 594 H CB 0.650 30.088 29.762 -0.539 0.000 1.409 594 H HN 0.406 nan 8.280 nan 0.000 0.460 595 Y N 3.224 123.219 120.300 -0.508 0.000 2.364 595 Y HA 0.202 4.752 4.550 0.000 0.000 0.340 595 Y C -0.331 175.257 175.900 -0.520 0.000 0.975 595 Y CA -0.806 56.996 58.100 -0.497 0.000 1.089 595 Y CB 1.462 39.695 38.460 -0.378 0.000 1.192 595 Y HN 0.683 nan 8.280 nan 0.000 0.454 596 H N 4.503 123.314 119.070 -0.431 0.000 2.906 596 H HA 0.574 5.130 4.556 0.000 0.000 0.324 596 H C -1.683 173.562 175.328 -0.140 0.000 0.973 596 H CA -1.109 54.712 56.048 -0.377 0.000 1.321 596 H CB 0.553 30.049 29.762 -0.443 0.000 1.535 596 H HN 0.507 nan 8.280 nan 0.000 0.518 597 F N 1.165 120.849 119.950 -0.443 0.000 2.641 597 F HA 0.460 4.987 4.527 0.000 0.000 0.308 597 F C -0.713 175.035 175.800 -0.086 0.000 1.105 597 F CA -1.153 56.705 58.000 -0.237 0.000 0.964 597 F CB 0.779 39.514 39.000 -0.443 0.000 1.294 597 F HN 0.393 nan 8.300 nan 0.000 0.442 598 T N 1.220 115.950 114.554 0.294 0.000 2.913 598 T HA 0.667 5.017 4.350 0.000 0.000 0.297 598 T C -0.360 174.583 174.700 0.405 0.000 1.029 598 T CA -0.513 61.732 62.100 0.241 0.000 1.104 598 T CB 1.043 70.075 68.868 0.274 0.000 0.964 598 T HN 0.716 nan 8.240 nan 0.000 0.532 599 L N 2.362 123.716 121.223 0.218 0.000 2.313 599 L HA 0.542 4.882 4.340 0.000 0.000 0.268 599 L C -2.224 174.757 176.870 0.185 0.000 1.010 599 L CA -3.124 51.870 54.840 0.257 0.000 0.814 599 L CB 1.407 43.556 42.059 0.149 0.000 1.304 599 L HN 0.424 nan 8.230 nan 0.000 0.441 600 P HA -0.020 nan 4.420 nan 0.000 0.266 600 P C -0.719 176.598 177.300 0.028 0.000 1.193 600 P CA -0.095 63.063 63.100 0.097 0.000 0.770 600 P CB 0.400 32.151 31.700 0.085 0.000 0.836 601 A N 2.415 125.231 122.820 -0.005 0.000 2.466 601 A HA 0.434 4.754 4.320 0.000 0.000 0.238 601 A C 0.160 177.710 177.584 -0.056 0.000 1.074 601 A CA 0.056 52.098 52.037 0.009 0.000 0.774 601 A CB -0.270 18.776 19.000 0.076 0.000 1.015 601 A HN 0.466 nan 8.150 nan 0.000 0.498 602 V N -0.598 119.317 119.914 0.001 0.000 2.876 602 V HA 0.825 4.945 4.120 0.000 0.000 0.312 602 V C -0.688 175.421 176.094 0.026 0.000 1.085 602 V CA -0.850 61.423 62.300 -0.045 0.000 0.945 602 V CB 2.105 33.925 31.823 -0.006 0.000 1.017 602 V HN 0.887 nan 8.190 nan 0.000 0.428 603 N N 1.221 119.899 118.700 -0.037 0.000 2.710 603 N HA 0.453 5.193 4.740 0.000 0.000 0.244 603 N C -1.252 174.248 175.510 -0.018 0.000 1.321 603 N CA -0.166 52.888 53.050 0.006 0.000 0.758 603 N CB 0.569 39.026 38.487 -0.049 0.000 1.284 603 N HN 1.118 nan 8.380 nan 0.000 0.530 604 H N -0.015 118.970 119.070 -0.142 0.000 2.946 604 H HA 0.752 5.308 4.556 0.000 0.000 0.365 604 H C -1.432 173.752 175.328 -0.240 0.000 1.197 604 H CA -0.665 55.238 56.048 -0.243 0.000 1.131 604 H CB 1.699 31.240 29.762 -0.368 0.000 1.849 604 H HN -0.024 nan 8.280 nan 0.000 0.555 605 V N 3.435 122.813 119.914 -0.893 0.000 2.525 605 V HA 0.261 4.381 4.120 0.000 0.000 0.299 605 V C -0.926 174.710 176.094 -0.764 0.000 1.034 605 V CA -0.667 61.296 62.300 -0.562 0.000 0.863 605 V CB 1.085 32.699 31.823 -0.347 0.000 0.999 605 V HN 0.579 nan 8.190 nan 0.000 0.423 606 F N 3.802 123.640 119.950 -0.187 0.000 2.404 606 F HA 0.645 5.172 4.527 0.000 0.000 0.359 606 F C 0.977 176.648 175.800 -0.216 0.000 1.134 606 F CA -0.094 57.829 58.000 -0.128 0.000 1.160 606 F CB 0.769 39.818 39.000 0.082 0.000 1.186 606 F HN 0.591 nan 8.300 nan 0.000 0.526 607 A N 4.230 126.820 122.820 -0.384 0.000 2.259 607 A HA 0.406 4.726 4.320 0.000 0.000 0.278 607 A C 0.314 177.921 177.584 0.038 0.000 1.107 607 A CA -0.852 51.053 52.037 -0.221 0.000 0.828 607 A CB 0.415 19.233 19.000 -0.304 0.000 1.111 607 A HN 0.688 nan 8.150 nan 0.000 0.498 608 K N -0.395 120.057 120.400 0.086 0.000 2.489 608 K HA 0.323 4.643 4.320 0.000 0.000 0.278 608 K C 1.115 177.849 176.600 0.223 0.000 1.000 608 K CA 1.164 57.532 56.287 0.134 0.000 1.012 608 K CB 0.144 32.696 32.500 0.086 0.000 0.903 608 K HN 1.370 nan 8.250 nan 0.000 0.485 609 G N 1.667 110.579 108.800 0.188 0.000 2.241 609 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 609 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 609 G C 0.141 175.134 174.900 0.154 0.000 0.998 609 G CA -0.196 44.995 45.100 0.151 0.000 0.621 609 G HN 0.759 nan 8.290 nan 0.000 0.519 610 H N 0.198 119.333 119.070 0.108 0.000 2.497 610 H HA 0.685 5.241 4.556 0.000 0.000 0.348 610 H C 0.495 175.903 175.328 0.134 0.000 1.335 610 H CA -0.211 55.925 56.048 0.146 0.000 1.395 610 H CB 0.856 30.751 29.762 0.222 0.000 1.658 610 H HN 0.232 nan 8.280 nan 0.000 0.613 611 R N 0.344 121.006 120.500 0.269 0.000 2.795 611 R HA 0.433 4.773 4.340 0.000 0.000 0.275 611 R C -0.815 175.563 176.300 0.130 0.000 0.981 611 R CA -0.817 55.372 56.100 0.148 0.000 0.917 611 R CB 2.026 32.379 30.300 0.088 0.000 1.202 611 R HN 0.401 nan 8.270 nan 0.000 0.469 612 I N 2.532 123.070 120.570 -0.054 0.000 2.353 612 I HA 0.390 4.560 4.170 0.000 0.000 0.293 612 I C 0.000 176.071 176.117 -0.078 0.000 0.992 612 I CA -0.358 60.806 61.300 -0.227 0.000 1.268 612 I CB 1.552 39.215 38.000 -0.561 0.000 1.387 612 I HN 0.419 nan 8.210 nan 0.000 0.478 613 M N 6.572 126.172 119.600 -0.000 0.000 2.591 613 M HA 0.711 5.191 4.480 0.000 0.000 0.306 613 M C -1.963 174.367 176.300 0.049 0.000 1.190 613 M CA -0.596 54.729 55.300 0.042 0.000 0.889 613 M CB 2.369 35.015 32.600 0.077 0.000 1.728 613 M HN 0.312 nan 8.290 nan 0.000 0.458 614 V N 3.239 123.202 119.914 0.081 0.000 2.577 614 V HA 0.469 4.589 4.120 0.000 0.000 0.303 614 V C -1.116 175.072 176.094 0.156 0.000 1.042 614 V CA -0.567 61.786 62.300 0.089 0.000 0.872 614 V CB 2.065 33.904 31.823 0.028 0.000 0.998 614 V HN 0.883 nan 8.190 nan 0.000 0.423 615 Q N 4.171 124.037 119.800 0.110 0.000 2.353 615 Q HA 0.725 5.065 4.340 0.000 0.000 0.268 615 Q C -1.400 174.636 176.000 0.060 0.000 1.045 615 Q CA -0.544 55.310 55.803 0.086 0.000 0.811 615 Q CB 3.129 31.893 28.738 0.043 0.000 1.305 615 Q HN 0.650 nan 8.270 nan 0.000 0.447 616 I N 2.481 123.083 120.570 0.053 0.000 2.545 616 I HA 0.386 4.557 4.170 0.000 0.000 0.292 616 I C -0.387 175.665 176.117 -0.108 0.000 1.040 616 I CA -0.592 60.742 61.300 0.057 0.000 1.068 616 I CB 1.917 40.035 38.000 0.196 0.000 1.251 616 I HN 0.635 nan 8.210 nan 0.000 0.424 617 Q N 2.762 122.530 119.800 -0.054 0.000 2.707 617 Q HA 0.555 4.895 4.340 0.000 0.000 0.307 617 Q C -1.232 174.817 176.000 0.081 0.000 0.934 617 Q CA -0.892 54.842 55.803 -0.114 0.000 0.753 617 Q CB 1.978 30.624 28.738 -0.152 0.000 1.478 617 Q HN 0.412 nan 8.270 nan 0.000 0.458 618 S N -0.005 115.757 115.700 0.105 0.000 2.730 618 S HA 0.283 4.753 4.470 0.000 0.000 0.244 618 S C -0.647 173.939 174.600 -0.024 0.000 1.022 618 S CA 0.299 58.480 58.200 -0.031 0.000 1.014 618 S CB 0.557 63.694 63.200 -0.105 0.000 0.963 618 S HN 0.631 nan 8.310 nan 0.000 0.540 619 S N -0.139 115.596 115.700 0.057 0.000 2.570 619 S HA 0.769 5.239 4.470 0.000 0.000 0.270 619 S C -2.146 172.650 174.600 0.327 0.000 1.149 619 S CA -0.656 57.648 58.200 0.172 0.000 0.837 619 S CB 1.695 64.993 63.200 0.163 0.000 1.124 619 S HN 0.232 nan 8.310 nan 0.000 0.465 620 W N 2.039 123.484 121.300 0.242 0.000 2.055 620 W HA 0.499 5.160 4.660 0.000 0.000 0.291 620 W C -2.181 174.510 176.519 0.287 0.000 1.037 620 W CA -1.651 55.865 57.345 0.286 0.000 1.061 620 W CB 0.834 30.465 29.460 0.286 0.000 0.994 620 W HN 0.682 nan 8.180 nan 0.000 0.273 621 F N 5.583 125.720 119.950 0.311 0.000 2.458 621 F HA 0.636 5.163 4.527 0.000 0.000 0.330 621 F C -1.227 174.712 175.800 0.231 0.000 1.082 621 F CA -2.554 55.527 58.000 0.135 0.000 0.995 621 F CB 1.843 40.883 39.000 0.066 0.000 1.170 621 F HN -0.065 nan 8.300 nan 0.000 0.478 622 P HA -0.004 nan 4.420 nan 0.000 0.257 622 P C 1.431 178.135 177.300 -0.994 0.000 1.281 622 P CA 0.325 62.520 63.100 -1.507 0.000 0.826 622 P CB 0.236 31.151 31.700 -1.309 0.000 1.237 623 L N -0.157 120.474 121.223 -0.987 0.000 2.013 623 L HA -0.061 4.279 4.340 0.000 0.000 0.212 623 L C 0.335 176.580 176.870 -1.041 0.000 1.073 623 L CA 1.778 55.906 54.840 -1.187 0.000 0.753 623 L CB -1.249 39.592 42.059 -2.029 0.000 0.890 623 L HN -0.125 nan 8.230 nan 0.000 0.432 624 Y N 0.736 120.770 120.300 -0.443 0.000 2.341 624 Y HA 0.316 4.866 4.550 0.000 0.000 0.337 624 Y C 0.180 176.071 175.900 -0.016 0.000 1.014 624 Y CA -1.922 56.059 58.100 -0.198 0.000 1.111 624 Y CB 0.457 38.917 38.460 -0.001 0.000 1.194 624 Y HN 0.227 nan 8.280 nan 0.000 0.462 625 D N 2.151 122.675 120.400 0.206 0.000 2.378 625 D HA 0.034 4.674 4.640 0.000 0.000 0.238 625 D C -0.376 176.152 176.300 0.379 0.000 1.180 625 D CA -0.304 53.906 54.000 0.350 0.000 0.895 625 D CB 0.694 41.746 40.800 0.421 0.000 1.192 625 D HN 0.475 nan 8.370 nan 0.000 0.438 626 R N 0.772 121.507 120.500 0.392 0.000 2.441 626 R HA 0.178 4.518 4.340 0.000 0.000 0.284 626 R C 0.517 176.966 176.300 0.248 0.000 1.070 626 R CA -0.664 55.596 56.100 0.267 0.000 1.047 626 R CB 0.430 30.805 30.300 0.125 0.000 1.016 626 R HN 0.452 nan 8.270 nan 0.000 0.477 627 N N 3.466 122.248 118.700 0.137 0.000 2.430 627 N HA 0.067 4.807 4.740 0.000 0.000 0.265 627 N C -1.869 173.667 175.510 0.045 0.000 1.100 627 N CA -1.760 51.319 53.050 0.049 0.000 0.961 627 N CB 1.389 39.857 38.487 -0.031 0.000 1.075 627 N HN 0.278 nan 8.380 nan 0.000 0.478 628 P HA -0.075 nan 4.420 nan 0.000 0.225 628 P C -0.330 176.913 177.300 -0.095 0.000 1.148 628 P CA 0.957 63.911 63.100 -0.244 0.000 0.779 628 P CB 0.231 31.575 31.700 -0.594 0.000 0.780 629 Q N -2.836 116.924 119.800 -0.066 0.000 2.465 629 Q HA -0.204 4.137 4.340 0.000 0.000 0.248 629 Q C 0.103 176.095 176.000 -0.013 0.000 0.819 629 Q CA 0.852 56.633 55.803 -0.036 0.000 1.219 629 Q CB -1.770 26.952 28.738 -0.027 0.000 1.472 629 Q HN 0.328 nan 8.270 nan 0.000 0.630 630 K N 0.217 120.599 120.400 -0.030 0.000 2.513 630 K HA 0.444 4.764 4.320 0.000 0.000 0.251 630 K C -1.337 175.277 176.600 0.024 0.000 0.939 630 K CA -0.785 55.504 56.287 0.003 0.000 0.793 630 K CB 1.038 33.513 32.500 -0.042 0.000 1.241 630 K HN -0.000 nan 8.250 nan 0.000 0.431 631 F N 5.707 125.626 119.950 -0.052 0.000 2.502 631 F HA 0.244 4.771 4.527 0.000 0.000 0.371 631 F C -0.417 175.350 175.800 -0.055 0.000 1.083 631 F CA 0.001 57.969 58.000 -0.054 0.000 1.174 631 F CB 0.539 39.518 39.000 -0.035 0.000 1.096 631 F HN 0.228 nan 8.300 nan 0.000 0.545 632 V N 4.832 124.388 119.914 -0.595 0.000 2.864 632 V HA 0.537 4.657 4.120 0.000 0.000 0.314 632 V C -2.174 173.522 176.094 -0.664 0.000 1.073 632 V CA -1.947 60.084 62.300 -0.449 0.000 0.956 632 V CB 1.464 33.127 31.823 -0.267 0.000 1.023 632 V HN 0.522 nan 8.190 nan 0.000 0.435 633 P HA -0.067 nan 4.420 nan 0.000 0.216 633 P C 0.163 177.315 177.300 -0.247 0.000 1.150 633 P CA 1.469 64.390 63.100 -0.299 0.000 0.837 633 P CB 0.102 31.729 31.700 -0.121 0.000 0.786 634 N N -1.122 117.462 118.700 -0.194 0.000 2.533 634 N HA 0.167 4.907 4.740 0.000 0.000 0.289 634 N C 0.532 175.970 175.510 -0.119 0.000 1.103 634 N CA -0.402 52.568 53.050 -0.133 0.000 0.877 634 N CB 0.803 39.237 38.487 -0.089 0.000 1.419 634 N HN -0.216 nan 8.380 nan 0.000 0.517 635 I N 2.326 122.793 120.570 -0.171 0.000 2.567 635 I HA -0.203 3.967 4.170 0.000 0.000 0.257 635 I C 1.385 177.500 176.117 -0.004 0.000 1.184 635 I CA 1.022 62.243 61.300 -0.131 0.000 1.451 635 I CB -0.164 37.748 38.000 -0.146 0.000 1.089 635 I HN 0.475 nan 8.210 nan 0.000 0.441 636 F N 1.024 121.025 119.950 0.086 0.000 2.161 636 F HA -0.250 4.277 4.527 0.000 0.000 0.300 636 F C 1.808 177.742 175.800 0.223 0.000 1.089 636 F CA 0.993 59.103 58.000 0.183 0.000 1.282 636 F CB -0.158 38.932 39.000 0.150 0.000 1.010 636 F HN 0.135 nan 8.300 nan 0.000 0.485 637 D N 0.310 120.896 120.400 0.310 0.000 2.340 637 D HA 0.162 4.803 4.640 0.000 0.000 0.217 637 D C 0.738 177.128 176.300 0.149 0.000 1.081 637 D CA 0.189 54.333 54.000 0.241 0.000 0.842 637 D CB -0.305 40.609 40.800 0.190 0.000 0.934 637 D HN 0.048 nan 8.370 nan 0.000 0.511 638 A N 1.085 123.974 122.820 0.114 0.000 2.587 638 A HA 0.017 4.337 4.320 0.000 0.000 0.235 638 A C 0.622 178.290 177.584 0.141 0.000 1.044 638 A CA 0.450 52.499 52.037 0.020 0.000 0.754 638 A CB 0.288 19.203 19.000 -0.141 0.000 0.968 638 A HN 0.001 nan 8.150 nan 0.000 0.509 639 K N 2.843 123.294 120.400 0.084 0.000 2.123 639 K HA 0.378 4.698 4.320 0.000 0.000 0.248 639 K C -1.944 174.801 176.600 0.241 0.000 0.969 639 K CA -1.877 54.499 56.287 0.149 0.000 0.882 639 K CB 0.947 33.496 32.500 0.080 0.000 1.080 639 K HN 0.298 nan 8.250 nan 0.000 0.441 640 P HA -0.264 nan 4.420 nan 0.000 0.216 640 P C 0.814 178.262 177.300 0.247 0.000 1.154 640 P CA 1.476 64.734 63.100 0.264 0.000 0.865 640 P CB 0.082 31.855 31.700 0.123 0.000 0.789 641 A N -0.500 122.401 122.820 0.136 0.000 2.125 641 A HA -0.190 4.130 4.320 0.000 0.000 0.219 641 A C 1.768 179.389 177.584 0.061 0.000 1.156 641 A CA 1.752 53.842 52.037 0.089 0.000 0.671 641 A CB -1.152 17.881 19.000 0.055 0.000 0.794 641 A HN 0.115 nan 8.150 nan 0.000 0.459 642 D N -1.311 119.098 120.400 0.016 0.000 2.224 642 D HA -0.016 4.624 4.640 0.000 0.000 0.205 642 D C -0.253 175.941 176.300 -0.176 0.000 0.965 642 D CA 0.575 54.501 54.000 -0.124 0.000 0.852 642 D CB -0.284 40.359 40.800 -0.262 0.000 0.947 642 D HN 0.560 nan 8.370 nan 0.000 0.494 643 Y N 1.313 121.617 120.300 0.007 0.000 2.587 643 Y HA 0.157 4.707 4.550 0.000 0.000 0.344 643 Y C 0.780 176.680 175.900 0.000 0.000 1.061 643 Y CA 0.147 58.245 58.100 -0.002 0.000 1.370 643 Y CB 0.271 38.722 38.460 -0.015 0.000 1.163 643 Y HN -0.336 nan 8.280 nan 0.000 0.527 644 T N 3.058 117.665 114.554 0.088 0.000 2.856 644 T HA 0.466 4.817 4.350 0.000 0.000 0.283 644 T C -0.294 174.442 174.700 0.061 0.000 1.008 644 T CA -0.852 61.286 62.100 0.063 0.000 0.997 644 T CB 1.505 70.391 68.868 0.030 0.000 0.992 644 T HN 0.195 nan 8.240 nan 0.000 0.454 645 V N 2.134 122.083 119.914 0.058 0.000 2.614 645 V HA 0.659 4.779 4.120 0.000 0.000 0.291 645 V C 0.387 176.503 176.094 0.036 0.000 1.049 645 V CA -0.296 62.036 62.300 0.054 0.000 1.038 645 V CB 0.712 32.572 31.823 0.061 0.000 0.980 645 V HN 1.141 nan 8.190 nan 0.000 0.481 646 A N 3.412 126.246 122.820 0.023 0.000 2.539 646 A HA 0.769 5.089 4.320 0.000 0.000 0.296 646 A C -0.350 177.226 177.584 -0.014 0.000 1.073 646 A CA -0.595 51.446 52.037 0.007 0.000 0.700 646 A CB 1.824 20.821 19.000 -0.006 0.000 1.296 646 A HN 0.657 nan 8.150 nan 0.000 0.405 647 T N 2.937 117.484 114.554 -0.011 0.000 2.767 647 T HA 0.489 4.839 4.350 0.000 0.000 0.288 647 T C -0.494 174.168 174.700 -0.064 0.000 0.963 647 T CA -0.319 61.760 62.100 -0.035 0.000 1.019 647 T CB 0.782 69.653 68.868 0.005 0.000 0.923 647 T HN 0.563 nan 8.240 nan 0.000 0.468 648 Q N 1.839 121.508 119.800 -0.219 0.000 2.245 648 Q HA 0.604 4.944 4.340 0.000 0.000 0.256 648 Q C -0.720 175.203 176.000 -0.128 0.000 0.942 648 Q CA -0.606 55.069 55.803 -0.213 0.000 0.896 648 Q CB 2.030 30.359 28.738 -0.681 0.000 1.272 648 Q HN 0.547 nan 8.270 nan 0.000 0.442 649 S N 1.941 117.683 115.700 0.070 0.000 2.647 649 S HA 0.530 5.000 4.470 0.000 0.000 0.300 649 S C -0.494 174.197 174.600 0.153 0.000 1.129 649 S CA -0.587 57.681 58.200 0.114 0.000 1.029 649 S CB 0.670 63.932 63.200 0.102 0.000 1.007 649 S HN 0.367 nan 8.310 nan 0.000 0.484 650 I N 3.079 123.776 120.570 0.211 0.000 2.307 650 I HA 0.302 4.472 4.170 0.000 0.000 0.289 650 I C 0.275 176.500 176.117 0.180 0.000 1.021 650 I CA -0.373 61.049 61.300 0.202 0.000 1.224 650 I CB 0.333 38.500 38.000 0.277 0.000 1.376 650 I HN 0.631 nan 8.210 nan 0.000 0.470 651 H N 5.474 124.582 119.070 0.064 0.000 2.629 651 H HA 0.470 5.026 4.556 0.000 0.000 0.357 651 H C -0.569 174.756 175.328 -0.005 0.000 1.121 651 H CA 0.149 56.177 56.048 -0.033 0.000 1.406 651 H CB 0.481 30.216 29.762 -0.046 0.000 1.456 651 H HN 0.739 nan 8.280 nan 0.000 0.579 652 H N 1.560 120.472 119.070 -0.262 0.000 2.851 652 H HA 0.592 5.148 4.556 0.000 0.000 0.372 652 H C 0.203 175.426 175.328 -0.175 0.000 1.158 652 H CA -0.742 55.215 56.048 -0.151 0.000 1.159 652 H CB 1.190 30.858 29.762 -0.156 0.000 1.757 652 H HN 0.999 nan 8.280 nan 0.000 0.546 653 G N 0.228 109.024 108.800 -0.006 0.000 2.829 653 G HA2 0.308 4.268 3.960 0.000 0.000 0.628 653 G HA3 0.308 4.268 3.960 0.000 0.000 0.628 653 G C 0.516 175.432 174.900 0.028 0.000 1.412 653 G CA 0.395 45.472 45.100 -0.039 0.000 0.864 653 G HN 2.198 nan 8.290 nan 0.000 0.544 654 G N -0.486 108.368 108.800 0.090 0.000 2.564 654 G HA2 -0.182 3.779 3.960 0.000 0.000 0.273 654 G HA3 -0.182 3.779 3.960 0.000 0.000 0.273 654 G C 0.908 175.825 174.900 0.029 0.000 1.242 654 G CA 1.122 46.250 45.100 0.047 0.000 0.951 654 G HN 1.599 nan 8.290 nan 0.000 0.564 655 K N 0.951 121.276 120.400 -0.124 0.000 2.459 655 K HA 0.139 4.459 4.320 0.000 0.000 0.193 655 K C 1.007 177.284 176.600 -0.539 0.000 1.030 655 K CA 1.058 57.211 56.287 -0.224 0.000 1.026 655 K CB 0.264 32.639 32.500 -0.207 0.000 0.809 655 K HN 0.534 nan 8.250 nan 0.000 0.504 656 E N 0.926 120.724 120.200 -0.669 0.000 3.388 656 E HA 0.181 4.531 4.350 0.000 0.000 0.214 656 E C -1.099 175.046 176.600 -0.758 0.000 1.040 656 E CA -0.371 55.187 56.400 -1.403 0.000 1.327 656 E CB 1.169 30.194 29.700 -1.125 0.000 1.243 656 E HN 0.143 nan 8.360 nan 0.000 0.444 657 A N 1.435 123.986 122.820 -0.449 0.000 2.544 657 A HA 0.151 4.471 4.320 0.000 0.000 0.301 657 A C 0.488 178.180 177.584 0.180 0.000 1.368 657 A CA -0.124 51.856 52.037 -0.095 0.000 1.045 657 A CB -0.254 18.540 19.000 -0.343 0.000 1.129 657 A HN 0.093 nan 8.150 nan 0.000 0.540 658 T N 2.645 117.346 114.554 0.246 0.000 2.928 658 T HA 0.412 4.762 4.350 0.000 0.000 0.305 658 T C 0.664 175.399 174.700 0.059 0.000 1.035 658 T CA 0.961 63.199 62.100 0.230 0.000 1.145 658 T CB 0.190 69.128 68.868 0.117 0.000 0.963 658 T HN 1.168 nan 8.240 nan 0.000 0.545 659 S N 2.258 117.935 115.700 -0.037 0.000 2.615 659 S HA 0.652 5.122 4.470 0.000 0.000 0.269 659 S C -1.479 172.989 174.600 -0.220 0.000 1.161 659 S CA -1.115 56.962 58.200 -0.206 0.000 0.817 659 S CB 1.227 64.165 63.200 -0.437 0.000 1.131 659 S HN 0.420 nan 8.310 nan 0.000 0.467 660 I N 2.061 122.482 120.570 -0.249 0.000 2.339 660 I HA 0.323 4.493 4.170 0.000 0.000 0.290 660 I C -0.516 175.478 176.117 -0.205 0.000 0.994 660 I CA -0.709 60.462 61.300 -0.215 0.000 1.191 660 I CB 1.186 39.085 38.000 -0.168 0.000 1.343 660 I HN 0.666 nan 8.210 nan 0.000 0.458 661 L N 7.106 128.222 121.223 -0.179 0.000 2.363 661 L HA 0.294 4.634 4.340 0.000 0.000 0.286 661 L C 0.066 176.886 176.870 -0.083 0.000 1.106 661 L CA -0.159 54.604 54.840 -0.128 0.000 0.859 661 L CB -0.014 41.982 42.059 -0.104 0.000 1.223 661 L HN 0.340 nan 8.230 nan 0.000 0.446 662 L N 6.281 127.481 121.223 -0.038 0.000 2.350 662 L HA 0.344 4.684 4.340 0.000 0.000 0.275 662 L C -1.773 175.104 176.870 0.012 0.000 1.099 662 L CA -1.725 53.125 54.840 0.016 0.000 0.808 662 L CB 1.285 43.397 42.059 0.089 0.000 1.149 662 L HN 0.354 nan 8.230 nan 0.000 0.442 663 P HA 0.101 nan 4.420 nan 0.000 0.231 663 P C -0.335 176.963 177.300 -0.004 0.000 1.811 663 P CA -0.142 62.936 63.100 -0.036 0.000 1.051 663 P CB 0.184 31.837 31.700 -0.078 0.000 1.951 664 V N 3.387 123.306 119.914 0.008 0.000 2.715 664 V HA 0.179 4.299 4.120 0.000 0.000 0.299 664 V C 1.053 177.133 176.094 -0.025 0.000 1.054 664 V CA 0.016 62.322 62.300 0.010 0.000 1.077 664 V CB 1.319 33.126 31.823 -0.026 0.000 0.972 664 V HN 0.331 nan 8.190 nan 0.000 0.484 665 V N 2.163 122.069 119.914 -0.013 0.000 3.040 665 V HA 0.691 4.811 4.120 0.000 0.000 0.312 665 V C -0.477 175.611 176.094 -0.011 0.000 1.115 665 V CA -1.231 61.057 62.300 -0.020 0.000 0.998 665 V CB 1.877 33.691 31.823 -0.016 0.000 1.042 665 V HN 0.744 nan 8.190 nan 0.000 0.433 666 K N 0.000 120.394 120.400 -0.009 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543