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 1nx9_1_A DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVHMPT DQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSAYEGF 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 0.000 175.329 175.328 0.002 0.000 0.993 50 H CA 0.000 56.049 56.048 0.002 0.000 1.023 50 H CB 0.000 29.763 29.762 0.002 0.000 1.292 51 D N 2.984 123.486 120.400 0.170 0.000 2.346 51 D HA 0.087 4.727 4.640 0.000 0.000 0.260 51 D C -1.206 175.171 176.300 0.128 0.000 1.252 51 D CA -2.032 52.030 54.000 0.103 0.000 0.895 51 D CB 1.216 42.053 40.800 0.062 0.000 1.097 51 D HN 0.291 nan 8.370 nan 0.000 0.489 52 P HA -0.085 nan 4.420 nan 0.000 0.223 52 P C 1.432 178.765 177.300 0.056 0.000 1.151 52 P CA 0.529 63.691 63.100 0.103 0.000 0.787 52 P CB 0.391 32.135 31.700 0.073 0.000 0.788 53 L N -1.390 119.859 121.223 0.042 0.000 2.599 53 L HA 0.104 4.444 4.340 0.000 0.000 0.230 53 L C 1.799 178.681 176.870 0.021 0.000 1.141 53 L CA 0.549 55.405 54.840 0.026 0.000 0.877 53 L CB -0.198 41.873 42.059 0.021 0.000 1.009 53 L HN -0.024 nan 8.230 nan 0.000 0.447 54 S N -1.922 113.793 115.700 0.024 0.000 3.019 54 S HA 0.175 4.645 4.470 0.000 0.000 0.258 54 S C 0.355 174.952 174.600 -0.005 0.000 1.082 54 S CA -0.194 58.012 58.200 0.011 0.000 0.836 54 S CB 1.065 64.274 63.200 0.014 0.000 0.834 54 S HN -0.058 nan 8.310 nan 0.000 0.457 55 V N 3.323 123.234 119.914 -0.005 0.000 2.347 55 V HA 0.568 4.688 4.120 0.000 0.000 0.280 55 V C -0.568 175.486 176.094 -0.068 0.000 1.021 55 V CA -0.502 61.754 62.300 -0.072 0.000 0.847 55 V CB 1.168 32.887 31.823 -0.172 0.000 0.990 55 V HN 0.269 nan 8.190 nan 0.000 0.444 56 Q N 3.553 123.313 119.800 -0.067 0.000 2.394 56 Q HA 0.390 4.730 4.340 0.000 0.000 0.259 56 Q C 0.579 176.543 176.000 -0.059 0.000 1.021 56 Q CA -0.072 55.709 55.803 -0.037 0.000 0.805 56 Q CB 1.528 30.257 28.738 -0.014 0.000 1.226 56 Q HN 0.869 nan 8.270 nan 0.000 0.476 57 T N 0.092 114.616 114.554 -0.050 0.000 3.092 57 T HA 0.482 4.832 4.350 0.000 0.000 0.258 57 T C 0.664 175.367 174.700 0.005 0.000 1.031 57 T CA 0.161 62.236 62.100 -0.040 0.000 0.925 57 T CB 0.518 69.355 68.868 -0.051 0.000 1.036 57 T HN 0.455 nan 8.240 nan 0.000 0.544 58 G N 0.890 109.698 108.800 0.014 0.000 3.135 58 G HA2 0.574 4.534 3.960 0.000 0.000 0.159 58 G HA3 0.574 4.534 3.960 0.000 0.000 0.159 58 G C -1.030 173.876 174.900 0.010 0.000 1.244 58 G CA -0.602 44.509 45.100 0.019 0.000 0.965 58 G HN 0.324 nan 8.290 nan 0.000 0.599 59 S N -1.018 114.689 115.700 0.012 0.000 2.509 59 S HA 0.399 4.869 4.470 0.000 0.000 0.297 59 S C -0.138 174.468 174.600 0.010 0.000 1.118 59 S CA -0.545 57.660 58.200 0.009 0.000 1.074 59 S CB 1.618 64.823 63.200 0.009 0.000 1.038 59 S HN 0.324 nan 8.310 nan 0.000 0.498 60 D N 2.642 123.046 120.400 0.008 0.000 2.349 60 D HA 0.207 4.847 4.640 0.000 0.000 0.224 60 D C -0.008 176.298 176.300 0.010 0.000 1.029 60 D CA 0.504 54.509 54.000 0.009 0.000 0.879 60 D CB -0.000 40.803 40.800 0.006 0.000 0.906 60 D HN 0.525 nan 8.370 nan 0.000 0.528 61 I N 2.332 122.907 120.570 0.010 0.000 2.312 61 I HA 0.170 4.340 4.170 0.000 0.000 0.291 61 I C -1.945 174.180 176.117 0.013 0.000 1.031 61 I CA -1.823 59.483 61.300 0.010 0.000 1.293 61 I CB 1.072 39.076 38.000 0.008 0.000 1.403 61 I HN -0.287 nan 8.210 nan 0.000 0.484 62 P HA 0.083 nan 4.420 nan 0.000 0.269 62 P C 0.529 177.839 177.300 0.016 0.000 1.209 62 P CA -0.192 62.919 63.100 0.019 0.000 0.776 62 P CB 0.931 32.644 31.700 0.023 0.000 0.876 63 A N 2.037 124.868 122.820 0.018 0.000 1.908 63 A HA -0.005 4.315 4.320 0.000 0.000 0.218 63 A C 0.982 178.573 177.584 0.011 0.000 1.181 63 A CA 2.021 54.067 52.037 0.015 0.000 0.627 63 A CB -0.719 18.291 19.000 0.018 0.000 0.818 63 A HN 0.690 nan 8.150 nan 0.000 0.445 64 S N -2.202 113.506 115.700 0.014 0.000 2.547 64 S HA 0.522 4.992 4.470 0.000 0.000 0.270 64 S C -0.899 173.706 174.600 0.010 0.000 1.150 64 S CA -0.215 57.986 58.200 0.001 0.000 0.850 64 S CB 1.354 64.546 63.200 -0.013 0.000 1.118 64 S HN 1.212 nan 8.310 nan 0.000 0.461 65 V N 0.744 120.654 119.914 -0.006 0.000 2.427 65 V HA 0.611 4.731 4.120 0.000 0.000 0.286 65 V C -0.381 175.713 176.094 -0.000 0.000 1.034 65 V CA -0.488 61.822 62.300 0.016 0.000 0.893 65 V CB 0.810 32.642 31.823 0.015 0.000 0.982 65 V HN 1.095 nan 8.190 nan 0.000 0.452 66 H N 3.942 123.016 119.070 0.007 0.000 2.369 66 H HA 0.534 5.090 4.556 0.000 0.000 0.228 66 H C -0.105 175.224 175.328 0.002 0.000 1.548 66 H CA -0.741 55.310 56.048 0.004 0.000 1.275 66 H CB 0.747 30.511 29.762 0.004 0.000 1.549 66 H HN 0.702 nan 8.280 nan 0.000 0.542 67 M N 3.595 123.262 119.600 0.110 0.000 2.268 67 M HA 0.051 4.531 4.480 0.000 0.000 0.349 67 M C -1.540 174.804 176.300 0.073 0.000 1.485 67 M CA -2.173 53.169 55.300 0.072 0.000 1.094 67 M CB 0.942 33.565 32.600 0.037 0.000 1.843 67 M HN 0.376 nan 8.290 nan 0.000 0.460 68 P HA 0.012 nan 4.420 nan 0.000 0.245 68 P C 0.466 177.775 177.300 0.015 0.000 1.212 68 P CA 0.707 63.826 63.100 0.032 0.000 0.774 68 P CB -0.377 31.332 31.700 0.016 0.000 0.999 69 T N -3.654 110.908 114.554 0.014 0.000 3.085 69 T HA -0.040 4.310 4.350 0.000 0.000 0.263 69 T C 1.198 175.885 174.700 -0.021 0.000 1.127 69 T CA 0.616 62.718 62.100 0.002 0.000 1.103 69 T CB -0.570 68.304 68.868 0.010 0.000 0.921 69 T HN 0.013 nan 8.240 nan 0.000 0.510 70 D N 1.899 122.285 120.400 -0.023 0.000 2.224 70 D HA -0.067 4.573 4.640 0.000 0.000 0.205 70 D C 2.306 178.560 176.300 -0.077 0.000 0.965 70 D CA 0.745 54.706 54.000 -0.065 0.000 0.852 70 D CB -0.136 40.641 40.800 -0.039 0.000 0.947 70 D HN 0.468 nan 8.370 nan 0.000 0.494 71 Q N 0.265 120.043 119.800 -0.037 0.000 2.378 71 Q HA -0.025 4.315 4.340 0.000 0.000 0.205 71 Q C 1.629 177.607 176.000 -0.036 0.000 0.954 71 Q CA 0.555 56.338 55.803 -0.033 0.000 0.901 71 Q CB -0.128 28.602 28.738 -0.013 0.000 0.981 71 Q HN 0.498 nan 8.270 nan 0.000 0.483 72 Q N 0.385 120.164 119.800 -0.035 0.000 2.424 72 Q HA 0.083 4.423 4.340 0.000 0.000 0.204 72 Q C 0.259 176.239 176.000 -0.033 0.000 0.933 72 Q CA -0.047 55.743 55.803 -0.022 0.000 0.929 72 Q CB 0.373 29.106 28.738 -0.007 0.000 1.037 72 Q HN 0.223 nan 8.270 nan 0.000 0.511 73 R N 1.840 122.286 120.500 -0.090 0.000 2.641 73 R HA -0.021 4.319 4.340 0.000 0.000 0.269 73 R C 0.213 176.456 176.300 -0.094 0.000 1.074 73 R CA 0.328 56.335 56.100 -0.154 0.000 1.133 73 R CB 0.329 30.345 30.300 -0.474 0.000 1.029 73 R HN 0.154 nan 8.270 nan 0.000 0.488 74 D N 0.875 121.289 120.400 0.023 0.000 2.424 74 D HA 0.022 4.662 4.640 0.000 0.000 0.220 74 D C -0.493 175.909 176.300 0.169 0.000 1.150 74 D CA -0.117 53.936 54.000 0.088 0.000 0.831 74 D CB -0.105 40.766 40.800 0.118 0.000 0.981 74 D HN 0.494 nan 8.370 nan 0.000 0.500 75 Y N -1.116 119.201 120.300 0.028 0.000 2.638 75 Y HA 0.628 5.178 4.550 0.000 0.000 0.335 75 Y C -1.374 174.545 175.900 0.031 0.000 1.155 75 Y CA -1.909 56.210 58.100 0.031 0.000 1.046 75 Y CB 0.835 39.317 38.460 0.038 0.000 1.303 75 Y HN -0.104 nan 8.280 nan 0.000 0.460 76 I N -0.530 120.119 120.570 0.132 0.000 2.892 76 I HA 0.734 4.904 4.170 0.000 0.000 0.306 76 I C -1.306 174.942 176.117 0.219 0.000 1.078 76 I CA -1.341 59.988 61.300 0.049 0.000 1.032 76 I CB 2.598 40.612 38.000 0.024 0.000 1.229 76 I HN 0.625 nan 8.210 nan 0.000 0.435 77 K N 3.183 123.678 120.400 0.158 0.000 2.376 77 K HA 0.578 4.898 4.320 0.000 0.000 0.257 77 K C -1.147 175.511 176.600 0.096 0.000 0.939 77 K CA -0.797 55.591 56.287 0.167 0.000 0.809 77 K CB 2.055 34.677 32.500 0.203 0.000 1.121 77 K HN 0.610 nan 8.250 nan 0.000 0.425 78 R N 2.251 122.798 120.500 0.078 0.000 2.437 78 R HA 0.224 4.564 4.340 0.000 0.000 0.310 78 R C -0.883 175.420 176.300 0.004 0.000 0.955 78 R CA -0.583 55.551 56.100 0.056 0.000 0.851 78 R CB 1.725 32.071 30.300 0.077 0.000 1.161 78 R HN 0.542 nan 8.270 nan 0.000 0.446 79 E N 2.594 122.789 120.200 -0.009 0.000 2.129 79 E HA 0.322 4.672 4.350 0.000 0.000 0.268 79 E C -0.988 175.555 176.600 -0.094 0.000 0.900 79 E CA -0.614 55.723 56.400 -0.105 0.000 0.755 79 E CB 2.017 31.732 29.700 0.025 0.000 1.117 79 E HN 0.160 nan 8.360 nan 0.000 0.410 80 V N 2.960 122.747 119.914 -0.212 0.000 2.735 80 V HA 0.350 4.470 4.120 0.000 0.000 0.310 80 V C -0.245 175.692 176.094 -0.261 0.000 1.061 80 V CA -1.045 61.138 62.300 -0.194 0.000 0.913 80 V CB 1.946 33.617 31.823 -0.253 0.000 1.005 80 V HN 0.708 nan 8.190 nan 0.000 0.428 81 M N 3.740 123.240 119.600 -0.166 0.000 2.435 81 M HA 0.332 4.812 4.480 0.000 0.000 0.344 81 M C -0.525 175.616 176.300 -0.266 0.000 1.329 81 M CA -0.307 54.916 55.300 -0.129 0.000 1.320 81 M CB 0.651 33.240 32.600 -0.019 0.000 1.309 81 M HN 0.432 nan 8.290 nan 0.000 0.451 82 V N 7.361 127.032 119.914 -0.405 0.000 2.427 82 V HA 0.216 4.336 4.120 0.000 0.000 0.268 82 V C -1.823 174.116 176.094 -0.258 0.000 1.046 82 V CA -1.163 60.788 62.300 -0.581 0.000 0.970 82 V CB 0.543 31.930 31.823 -0.725 0.000 1.001 82 V HN 0.539 nan 8.190 nan 0.000 0.476 83 P HA 0.285 nan 4.420 nan 0.000 0.281 83 P C -0.456 176.854 177.300 0.016 0.000 1.252 83 P CA -0.393 62.686 63.100 -0.034 0.000 0.778 83 P CB 0.968 32.678 31.700 0.016 0.000 0.895 84 M N 2.999 122.620 119.600 0.036 0.000 2.219 84 M HA 0.253 4.733 4.480 0.000 0.000 0.280 84 M C 2.112 178.456 176.300 0.073 0.000 1.189 84 M CA -0.526 54.815 55.300 0.070 0.000 1.010 84 M CB 0.162 32.803 32.600 0.068 0.000 1.422 84 M HN 0.399 nan 8.290 nan 0.000 0.504 85 R N 0.665 121.211 120.500 0.077 0.000 2.193 85 R HA -0.137 4.203 4.340 0.000 0.000 0.229 85 R C 0.435 176.756 176.300 0.036 0.000 1.110 85 R CA 1.778 57.910 56.100 0.054 0.000 0.988 85 R CB -0.545 29.771 30.300 0.026 0.000 0.871 85 R HN 0.673 nan 8.270 nan 0.000 0.458 86 D N -0.818 119.604 120.400 0.038 0.000 2.349 86 D HA 0.104 4.744 4.640 0.000 0.000 0.214 86 D C 1.146 177.466 176.300 0.033 0.000 1.063 86 D CA 0.557 54.576 54.000 0.031 0.000 0.847 86 D CB 0.551 41.371 40.800 0.033 0.000 0.933 86 D HN 0.400 nan 8.370 nan 0.000 0.513 87 G N -0.096 108.726 108.800 0.037 0.000 2.234 87 G HA2 -0.269 3.692 3.960 0.000 0.000 0.235 87 G HA3 -0.269 3.692 3.960 0.000 0.000 0.235 87 G C 0.222 175.141 174.900 0.031 0.000 0.997 87 G CA 0.082 45.203 45.100 0.034 0.000 0.623 87 G HN 0.354 nan 8.290 nan 0.000 0.514 88 V N 2.450 122.385 119.914 0.035 0.000 2.529 88 V HA 0.311 4.431 4.120 0.000 0.000 0.292 88 V C 0.769 176.880 176.094 0.027 0.000 1.028 88 V CA 0.401 62.722 62.300 0.036 0.000 1.074 88 V CB 1.187 33.038 31.823 0.047 0.000 0.958 88 V HN 0.339 nan 8.190 nan 0.000 0.481 89 K N 5.939 126.352 120.400 0.021 0.000 2.156 89 K HA 0.624 4.944 4.320 0.000 0.000 0.271 89 K C -0.984 175.626 176.600 0.017 0.000 0.995 89 K CA -0.514 55.773 56.287 0.000 0.000 0.890 89 K CB 1.509 34.007 32.500 -0.004 0.000 1.073 89 K HN 0.489 nan 8.250 nan 0.000 0.454 90 L N 3.305 124.522 121.223 -0.010 0.000 2.322 90 L HA 0.310 4.650 4.340 0.000 0.000 0.281 90 L C -0.446 176.438 176.870 0.023 0.000 1.014 90 L CA -1.204 53.653 54.840 0.028 0.000 0.815 90 L CB 0.685 42.756 42.059 0.021 0.000 1.247 90 L HN 0.571 nan 8.230 nan 0.000 0.421 91 Y N 2.887 123.172 120.300 -0.025 0.000 2.569 91 Y HA 0.115 4.665 4.550 0.000 0.000 0.332 91 Y C -0.147 175.740 175.900 -0.022 0.000 1.120 91 Y CA 0.225 58.310 58.100 -0.024 0.000 1.416 91 Y CB 0.512 38.979 38.460 0.011 0.000 1.210 91 Y HN 0.482 nan 8.280 nan 0.000 0.528 92 T N 6.611 120.843 114.554 -0.537 0.000 2.840 92 T HA 0.445 4.795 4.350 0.000 0.000 0.287 92 T C -1.065 173.346 174.700 -0.481 0.000 0.991 92 T CA -0.720 61.139 62.100 -0.400 0.000 0.964 92 T CB 0.969 69.659 68.868 -0.297 0.000 0.954 92 T HN 0.377 nan 8.240 nan 0.000 0.438 93 V N 4.840 124.579 119.914 -0.293 0.000 2.370 93 V HA 0.487 4.607 4.120 0.000 0.000 0.279 93 V C -0.143 175.942 176.094 -0.016 0.000 1.029 93 V CA -0.766 61.441 62.300 -0.154 0.000 0.870 93 V CB 0.795 32.605 31.823 -0.021 0.000 0.984 93 V HN 0.803 nan 8.190 nan 0.000 0.451 94 I N 5.320 125.893 120.570 0.004 0.000 2.354 94 I HA 0.370 4.540 4.170 0.000 0.000 0.286 94 I C -0.379 175.786 176.117 0.079 0.000 1.007 94 I CA -0.607 60.722 61.300 0.048 0.000 1.167 94 I CB 1.761 39.803 38.000 0.070 0.000 1.320 94 I HN 0.309 nan 8.210 nan 0.000 0.458 95 V N 7.724 127.688 119.914 0.082 0.000 2.348 95 V HA 0.411 4.531 4.120 0.000 0.000 0.270 95 V C 0.115 176.270 176.094 0.101 0.000 1.037 95 V CA -0.320 62.042 62.300 0.103 0.000 0.872 95 V CB 0.723 32.575 31.823 0.047 0.000 1.002 95 V HN 0.483 nan 8.190 nan 0.000 0.464 96 I N 7.139 127.791 120.570 0.136 0.000 2.378 96 I HA 0.416 4.586 4.170 0.000 0.000 0.291 96 I C -2.441 173.762 176.117 0.144 0.000 0.992 96 I CA -2.307 59.059 61.300 0.109 0.000 1.154 96 I CB 2.287 40.334 38.000 0.078 0.000 1.315 96 I HN 0.379 nan 8.210 nan 0.000 0.448 97 P HA 0.030 nan 4.420 nan 0.000 0.267 97 P C -0.627 176.727 177.300 0.091 0.000 1.205 97 P CA -0.302 62.873 63.100 0.124 0.000 0.765 97 P CB 0.433 32.184 31.700 0.086 0.000 0.828 98 K N 3.258 123.711 120.400 0.089 0.000 2.511 98 K HA -0.087 4.233 4.320 0.000 0.000 0.280 98 K C 0.663 177.281 176.600 0.031 0.000 1.008 98 K CA 0.616 56.929 56.287 0.045 0.000 1.050 98 K CB -0.400 32.114 32.500 0.024 0.000 0.889 98 K HN 0.402 nan 8.250 nan 0.000 0.484 99 N N 0.340 119.051 118.700 0.019 0.000 2.782 99 N HA -0.193 4.547 4.740 0.000 0.000 0.251 99 N C -1.155 174.359 175.510 0.006 0.000 1.101 99 N CA 0.950 54.006 53.050 0.009 0.000 0.764 99 N CB -1.023 37.468 38.487 0.007 0.000 1.122 99 N HN 0.656 nan 8.380 nan 0.000 0.561 100 A N 0.199 123.025 122.820 0.010 0.000 2.445 100 A HA 0.637 4.957 4.320 0.000 0.000 0.242 100 A C 0.552 178.127 177.584 -0.016 0.000 1.075 100 A CA 0.419 52.456 52.037 -0.000 0.000 0.777 100 A CB 0.505 19.509 19.000 0.007 0.000 1.013 100 A HN 0.360 nan 8.150 nan 0.000 0.493 101 R N 0.448 120.931 120.500 -0.029 0.000 2.566 101 R HA 0.329 4.669 4.340 0.000 0.000 0.271 101 R C -0.713 175.554 176.300 -0.056 0.000 1.071 101 R CA -0.545 55.532 56.100 -0.039 0.000 0.915 101 R CB 1.282 31.562 30.300 -0.032 0.000 1.228 101 R HN 0.940 nan 8.270 nan 0.000 0.449 102 N N -0.049 118.611 118.700 -0.066 0.000 2.716 102 N HA -0.261 4.479 4.740 0.000 0.000 0.250 102 N C -1.064 174.382 175.510 -0.108 0.000 1.033 102 N CA 0.957 53.957 53.050 -0.083 0.000 0.727 102 N CB -0.595 37.848 38.487 -0.074 0.000 0.950 102 N HN 0.579 nan 8.380 nan 0.000 0.541 103 A N 0.101 122.853 122.820 -0.114 0.000 2.306 103 A HA 0.667 4.987 4.320 0.000 0.000 0.314 103 A C -1.982 175.479 177.584 -0.204 0.000 1.164 103 A CA -1.424 50.517 52.037 -0.161 0.000 0.822 103 A CB 0.953 19.885 19.000 -0.113 0.000 1.130 103 A HN 0.072 nan 8.150 nan 0.000 0.496 104 P HA 0.351 nan 4.420 nan 0.000 0.274 104 P C -0.788 176.385 177.300 -0.210 0.000 1.246 104 P CA 0.024 62.924 63.100 -0.334 0.000 0.795 104 P CB 0.769 32.120 31.700 -0.582 0.000 1.006 105 I N 1.370 121.887 120.570 -0.087 0.000 2.404 105 I HA 0.256 4.426 4.170 0.000 0.000 0.293 105 I C -0.001 176.143 176.117 0.045 0.000 0.992 105 I CA -0.987 60.305 61.300 -0.013 0.000 1.149 105 I CB 1.631 39.602 38.000 -0.049 0.000 1.315 105 I HN 0.145 nan 8.210 nan 0.000 0.446 106 L N 7.979 129.224 121.223 0.036 0.000 2.276 106 L HA 0.520 4.860 4.340 0.000 0.000 0.286 106 L C -1.005 175.753 176.870 -0.185 0.000 1.024 106 L CA -0.341 54.438 54.840 -0.103 0.000 0.826 106 L CB 1.204 43.050 42.059 -0.354 0.000 1.211 106 L HN 0.485 nan 8.230 nan 0.000 0.422 107 L N 4.769 125.902 121.223 -0.149 0.000 2.329 107 L HA 0.784 5.124 4.340 0.000 0.000 0.279 107 L C -0.628 176.127 176.870 -0.190 0.000 1.014 107 L CA 0.383 55.119 54.840 -0.174 0.000 0.814 107 L CB 2.099 44.103 42.059 -0.093 0.000 1.257 107 L HN 0.637 nan 8.230 nan 0.000 0.424 108 T N 4.728 119.121 114.554 -0.270 0.000 2.921 108 T HA 0.546 4.896 4.350 0.000 0.000 0.297 108 T C -0.789 173.919 174.700 0.014 0.000 1.013 108 T CA -0.607 61.399 62.100 -0.157 0.000 0.990 108 T CB 1.214 69.890 68.868 -0.319 0.000 1.023 108 T HN 0.561 nan 8.240 nan 0.000 0.447 109 R N 1.709 122.277 120.500 0.113 0.000 2.295 109 R HA 0.723 5.063 4.340 0.000 0.000 0.324 109 R C -0.332 176.110 176.300 0.237 0.000 0.968 109 R CA -0.781 55.419 56.100 0.167 0.000 0.837 109 R CB 1.742 32.132 30.300 0.150 0.000 1.133 109 R HN 0.529 nan 8.270 nan 0.000 0.450 110 T N 2.006 116.690 114.554 0.217 0.000 2.903 110 T HA 0.436 4.786 4.350 0.000 0.000 0.299 110 T C -2.339 172.338 174.700 -0.039 0.000 1.093 110 T CA -2.127 60.062 62.100 0.149 0.000 1.002 110 T CB 1.893 70.909 68.868 0.245 0.000 1.127 110 T HN 0.351 nan 8.240 nan 0.000 0.488 111 P HA 0.246 nan 4.420 nan 0.000 0.266 111 P C -0.532 176.507 177.300 -0.435 0.000 1.381 111 P CA -0.062 62.718 63.100 -0.533 0.000 0.940 111 P CB -0.129 30.926 31.700 -1.075 0.000 1.435 112 Y N 0.509 120.798 120.300 -0.017 0.000 2.781 112 Y HA 0.315 4.865 4.550 0.000 0.000 0.326 112 Y C 0.534 176.215 175.900 -0.364 0.000 1.019 112 Y CA -1.528 56.518 58.100 -0.089 0.000 1.372 112 Y CB -1.166 37.292 38.460 -0.003 0.000 1.260 112 Y HN 0.071 nan 8.280 nan 0.000 0.546 113 N N 0.476 118.828 118.700 -0.579 0.000 2.422 113 N HA -0.226 4.514 4.740 0.000 0.000 0.289 113 N C 0.952 176.285 175.510 -0.296 0.000 1.385 113 N CA 0.230 52.786 53.050 -0.823 0.000 0.639 113 N CB -0.122 37.632 38.487 -1.222 0.000 0.914 113 N HN 0.556 nan 8.380 nan 0.000 0.516 114 A N 3.670 126.446 122.820 -0.073 0.000 1.917 114 A HA -0.233 4.087 4.320 0.000 0.000 0.219 114 A C 1.970 179.561 177.584 0.011 0.000 1.182 114 A CA 1.988 54.052 52.037 0.046 0.000 0.633 114 A CB -0.310 18.830 19.000 0.234 0.000 0.819 114 A HN 0.782 nan 8.150 nan 0.000 0.448 115 K N -0.824 119.640 120.400 0.107 0.000 2.063 115 K HA -0.124 4.196 4.320 0.000 0.000 0.208 115 K C 1.992 178.564 176.600 -0.047 0.000 1.048 115 K CA 1.483 57.832 56.287 0.104 0.000 0.928 115 K CB -0.489 32.068 32.500 0.096 0.000 0.713 115 K HN 0.409 nan 8.250 nan 0.000 0.442 116 G N 0.696 109.415 108.800 -0.135 0.000 2.403 116 G HA2 -0.173 3.787 3.960 0.000 0.000 0.216 116 G HA3 -0.173 3.787 3.960 0.000 0.000 0.216 116 G C 1.425 176.198 174.900 -0.211 0.000 1.154 116 G CA 0.020 45.029 45.100 -0.153 0.000 0.784 116 G HN 0.148 nan 8.290 nan 0.000 0.538 117 R N 0.947 121.243 120.500 -0.339 0.000 2.096 117 R HA 0.019 4.359 4.340 0.000 0.000 0.235 117 R C 2.295 178.208 176.300 -0.644 0.000 1.127 117 R CA 1.097 56.833 56.100 -0.607 0.000 0.968 117 R CB -0.787 28.861 30.300 -1.087 0.000 0.861 117 R HN 0.328 nan 8.270 nan 0.000 0.440 118 A N 0.801 123.357 122.820 -0.440 0.000 2.411 118 A HA 0.119 4.439 4.320 0.000 0.000 0.251 118 A C 0.285 177.810 177.584 -0.097 0.000 1.317 118 A CA -0.092 51.838 52.037 -0.179 0.000 0.904 118 A CB -0.070 18.936 19.000 0.010 0.000 0.993 118 A HN 0.083 nan 8.150 nan 0.000 0.504 119 N N -0.003 118.630 118.700 -0.112 0.000 2.628 119 N HA 0.094 4.834 4.740 0.000 0.000 0.299 119 N C 1.059 176.537 175.510 -0.053 0.000 1.834 119 N CA -0.252 52.764 53.050 -0.055 0.000 0.871 119 N CB 0.171 38.641 38.487 -0.030 0.000 1.377 119 N HN 0.428 nan 8.380 nan 0.000 0.493 120 R N -0.199 120.265 120.500 -0.061 0.000 2.112 120 R HA -0.057 4.283 4.340 0.000 0.000 0.242 120 R C -0.172 176.120 176.300 -0.013 0.000 1.137 120 R CA 1.353 57.432 56.100 -0.035 0.000 0.944 120 R CB 0.058 30.344 30.300 -0.024 0.000 0.857 120 R HN -0.031 nan 8.270 nan 0.000 0.435 121 V N 4.246 124.156 119.914 -0.008 0.000 2.313 121 V HA 0.245 4.365 4.120 0.000 0.000 0.278 121 V C -2.227 173.878 176.094 0.018 0.000 1.017 121 V CA -1.825 60.480 62.300 0.009 0.000 0.823 121 V CB 1.500 33.333 31.823 0.017 0.000 1.010 121 V HN 0.240 nan 8.190 nan 0.000 0.443 122 P HA -0.022 nan 4.420 nan 0.000 0.258 122 P C 0.247 177.580 177.300 0.055 0.000 1.172 122 P CA 0.559 63.677 63.100 0.029 0.000 0.762 122 P CB -0.094 31.618 31.700 0.021 0.000 0.764 123 N N -0.321 118.429 118.700 0.084 0.000 2.710 123 N HA -0.207 4.533 4.740 0.000 0.000 0.249 123 N C 0.300 175.896 175.510 0.144 0.000 1.059 123 N CA 0.380 53.505 53.050 0.125 0.000 0.720 123 N CB -1.457 37.079 38.487 0.081 0.000 0.983 123 N HN 0.629 nan 8.380 nan 0.000 0.544 124 A N -0.056 122.858 122.820 0.157 0.000 2.448 124 A HA 0.236 4.556 4.320 0.000 0.000 0.239 124 A C 1.398 179.122 177.584 0.234 0.000 1.080 124 A CA -0.025 52.102 52.037 0.149 0.000 0.779 124 A CB 0.287 19.347 19.000 0.100 0.000 1.026 124 A HN 0.367 nan 8.150 nan 0.000 0.499 125 L N 0.248 121.568 121.223 0.160 0.000 2.313 125 L HA 0.039 4.379 4.340 0.000 0.000 0.214 125 L C 1.304 178.308 176.870 0.223 0.000 1.119 125 L CA 1.275 56.200 54.840 0.142 0.000 0.809 125 L CB -0.689 41.414 42.059 0.074 0.000 0.933 125 L HN 0.923 nan 8.230 nan 0.000 0.449 126 T N -4.755 109.940 114.554 0.236 0.000 2.908 126 T HA 0.274 4.624 4.350 0.000 0.000 0.290 126 T C 0.601 175.380 174.700 0.132 0.000 1.034 126 T CA -0.690 61.542 62.100 0.221 0.000 1.010 126 T CB 2.360 71.291 68.868 0.106 0.000 1.068 126 T HN -0.020 nan 8.240 nan 0.000 0.481 127 M N 0.619 120.260 119.600 0.068 0.000 2.213 127 M HA 0.011 4.491 4.480 0.000 0.000 0.263 127 M C 2.340 178.560 176.300 -0.134 0.000 1.062 127 M CA 1.391 56.547 55.300 -0.240 0.000 1.105 127 M CB -0.209 32.337 32.600 -0.089 0.000 1.385 127 M HN 0.754 nan 8.290 nan 0.000 0.417 128 R N 0.637 121.116 120.500 -0.035 0.000 2.081 128 R HA -0.146 4.194 4.340 0.000 0.000 0.235 128 R C 1.613 177.897 176.300 -0.026 0.000 1.131 128 R CA 2.158 58.246 56.100 -0.020 0.000 0.960 128 R CB -0.336 29.965 30.300 0.002 0.000 0.856 128 R HN 0.510 nan 8.270 nan 0.000 0.436 129 E N -0.954 119.235 120.200 -0.019 0.000 2.072 129 E HA -0.104 4.246 4.350 0.000 0.000 0.190 129 E C 1.897 178.475 176.600 -0.036 0.000 0.982 129 E CA 1.174 57.568 56.400 -0.010 0.000 0.803 129 E CB -0.116 29.594 29.700 0.018 0.000 0.755 129 E HN 0.105 nan 8.360 nan 0.000 0.453 130 V N 1.278 121.139 119.914 -0.088 0.000 2.594 130 V HA -0.106 4.014 4.120 0.000 0.000 0.253 130 V C 0.903 176.931 176.094 -0.111 0.000 1.069 130 V CA 1.007 63.230 62.300 -0.129 0.000 1.082 130 V CB -0.062 31.577 31.823 -0.307 0.000 0.680 130 V HN 0.078 nan 8.190 nan 0.000 0.469 131 L N 0.210 121.378 121.223 -0.092 0.000 2.375 131 L HA 0.421 4.761 4.340 0.000 0.000 0.268 131 L C -2.199 174.668 176.870 -0.006 0.000 1.058 131 L CA -2.030 52.796 54.840 -0.023 0.000 0.803 131 L CB 1.036 43.100 42.059 0.008 0.000 1.212 131 L HN -0.015 nan 8.230 nan 0.000 0.451 132 P HA -0.045 nan 4.420 nan 0.000 0.269 132 P C 0.022 177.310 177.300 -0.020 0.000 1.217 132 P CA -0.112 62.989 63.100 0.000 0.000 0.783 132 P CB 0.485 32.196 31.700 0.017 0.000 0.898 133 Q N 1.528 121.299 119.800 -0.047 0.000 2.135 133 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 133 Q C 1.948 177.892 176.000 -0.094 0.000 0.981 133 Q CA 2.227 57.996 55.803 -0.057 0.000 0.856 133 Q CB -0.997 27.724 28.738 -0.029 0.000 0.902 133 Q HN 0.687 nan 8.270 nan 0.000 0.425 134 G N -0.222 108.473 108.800 -0.174 0.000 2.559 134 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 134 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 134 G C 0.567 175.458 174.900 -0.014 0.000 1.126 134 G CA 0.769 45.792 45.100 -0.128 0.000 0.778 134 G HN 0.357 nan 8.290 nan 0.000 0.543 135 D N 0.661 121.066 120.400 0.008 0.000 2.339 135 D HA 0.030 4.670 4.640 0.000 0.000 0.217 135 D C 2.033 178.344 176.300 0.018 0.000 1.050 135 D CA 0.471 54.510 54.000 0.063 0.000 0.856 135 D CB 0.092 40.930 40.800 0.063 0.000 0.922 135 D HN 0.387 nan 8.370 nan 0.000 0.518 136 D N 0.947 121.329 120.400 -0.030 0.000 2.154 136 D HA -0.222 4.418 4.640 0.000 0.000 0.190 136 D C 2.056 178.287 176.300 -0.115 0.000 1.003 136 D CA 2.058 56.031 54.000 -0.044 0.000 0.849 136 D CB -0.991 39.805 40.800 -0.007 0.000 0.942 136 D HN 0.272 nan 8.370 nan 0.000 0.446 137 V N -2.533 117.220 119.914 -0.269 0.000 2.594 137 V HA -0.107 4.013 4.120 0.000 0.000 0.253 137 V C 2.338 178.074 176.094 -0.597 0.000 1.069 137 V CA 1.254 63.268 62.300 -0.476 0.000 1.082 137 V CB -1.212 30.173 31.823 -0.729 0.000 0.680 137 V HN 0.019 nan 8.190 nan 0.000 0.469 138 F N 0.091 119.827 119.950 -0.355 0.000 2.416 138 F HA 0.193 4.720 4.527 0.000 0.000 0.296 138 F C 2.338 178.067 175.800 -0.119 0.000 1.099 138 F CA 1.005 58.747 58.000 -0.430 0.000 1.427 138 F CB -0.540 38.054 39.000 -0.677 0.000 1.079 138 F HN -0.024 nan 8.300 nan 0.000 0.536 139 V N 0.015 119.961 119.914 0.052 0.000 2.358 139 V HA -0.239 3.881 4.120 0.000 0.000 0.246 139 V C 2.043 178.167 176.094 0.050 0.000 1.047 139 V CA 1.849 64.184 62.300 0.059 0.000 1.035 139 V CB -0.525 31.310 31.823 0.020 0.000 0.658 139 V HN 0.275 nan 8.190 nan 0.000 0.452 140 E N 0.367 120.567 120.200 0.000 0.000 2.153 140 E HA -0.122 4.228 4.350 0.000 0.000 0.194 140 E C 2.173 178.788 176.600 0.025 0.000 0.988 140 E CA 1.114 57.512 56.400 -0.004 0.000 0.811 140 E CB -0.364 29.310 29.700 -0.043 0.000 0.746 140 E HN 0.630 nan 8.360 nan 0.000 0.466 141 G N -0.312 108.526 108.800 0.064 0.000 2.813 141 G HA2 0.109 4.069 3.960 0.000 0.000 0.209 141 G HA3 0.109 4.069 3.960 0.000 0.000 0.209 141 G C 1.010 176.036 174.900 0.209 0.000 1.150 141 G CA 0.190 45.390 45.100 0.166 0.000 0.785 141 G HN 0.383 nan 8.290 nan 0.000 0.535 142 G N -1.166 107.744 108.800 0.183 0.000 2.160 142 G HA2 -0.298 3.662 3.960 0.000 0.000 0.244 142 G HA3 -0.298 3.662 3.960 0.000 0.000 0.244 142 G C 0.077 175.055 174.900 0.130 0.000 1.022 142 G CA -0.054 45.118 45.100 0.120 0.000 0.741 142 G HN 0.366 nan 8.290 nan 0.000 0.508 143 Y N -0.650 119.679 120.300 0.049 0.000 2.326 143 Y HA 0.537 5.087 4.550 0.000 0.000 0.333 143 Y C 1.497 177.403 175.900 0.010 0.000 1.240 143 Y CA -0.475 57.649 58.100 0.040 0.000 1.365 143 Y CB 0.611 39.117 38.460 0.078 0.000 1.289 143 Y HN 0.186 nan 8.280 nan 0.000 0.548 144 I N 3.653 124.288 120.570 0.108 0.000 2.342 144 I HA 0.229 4.399 4.170 0.000 0.000 0.291 144 I C -0.145 176.003 176.117 0.052 0.000 1.010 144 I CA -0.601 60.736 61.300 0.061 0.000 1.308 144 I CB 0.870 38.878 38.000 0.014 0.000 1.400 144 I HN 0.374 nan 8.210 nan 0.000 0.488 145 R N 5.713 126.231 120.500 0.030 0.000 2.294 145 R HA 0.595 4.935 4.340 0.000 0.000 0.319 145 R C -1.543 174.728 176.300 -0.047 0.000 0.984 145 R CA -0.450 55.627 56.100 -0.039 0.000 0.861 145 R CB 1.172 31.465 30.300 -0.012 0.000 1.104 145 R HN 0.383 nan 8.270 nan 0.000 0.451 146 V N 5.878 125.700 119.914 -0.152 0.000 2.487 146 V HA 0.507 4.627 4.120 0.000 0.000 0.298 146 V C -0.906 175.042 176.094 -0.244 0.000 1.028 146 V CA -0.598 61.636 62.300 -0.111 0.000 0.860 146 V CB 1.429 33.211 31.823 -0.068 0.000 0.991 146 V HN 0.619 nan 8.190 nan 0.000 0.427 147 F N 3.226 123.164 119.950 -0.019 0.000 2.467 147 F HA 0.592 5.119 4.527 0.000 0.000 0.336 147 F C 0.137 175.929 175.800 -0.014 0.000 1.123 147 F CA -0.247 57.752 58.000 -0.001 0.000 0.964 147 F CB 1.904 40.910 39.000 0.010 0.000 1.136 147 F HN 0.416 nan 8.300 nan 0.000 0.447 148 Q N 3.203 123.118 119.800 0.191 0.000 2.356 148 Q HA 0.267 4.607 4.340 0.000 0.000 0.270 148 Q C -1.580 174.519 176.000 0.165 0.000 1.058 148 Q CA -1.002 54.872 55.803 0.118 0.000 0.802 148 Q CB 1.799 30.566 28.738 0.048 0.000 1.303 148 Q HN 0.485 nan 8.270 nan 0.000 0.444 149 D N 4.235 124.746 120.400 0.185 0.000 2.383 149 D HA 0.170 4.810 4.640 0.000 0.000 0.252 149 D C 0.472 176.861 176.300 0.148 0.000 1.166 149 D CA 0.071 54.179 54.000 0.179 0.000 0.879 149 D CB 0.468 41.408 40.800 0.234 0.000 1.164 149 D HN 0.536 nan 8.370 nan 0.000 0.462 150 I N -0.830 119.824 120.570 0.139 0.000 3.060 150 I HA 0.163 4.333 4.170 0.000 0.000 0.285 150 I C 0.868 177.084 176.117 0.165 0.000 1.190 150 I CA -0.844 60.558 61.300 0.171 0.000 1.363 150 I CB 0.624 38.767 38.000 0.239 0.000 1.396 150 I HN 0.176 nan 8.210 nan 0.000 0.607 151 R N 3.132 123.743 120.500 0.186 0.000 2.494 151 R HA 0.106 4.446 4.340 0.000 0.000 0.291 151 R C 0.967 177.396 176.300 0.214 0.000 0.953 151 R CA 1.231 57.434 56.100 0.172 0.000 1.098 151 R CB -0.351 30.049 30.300 0.167 0.000 0.911 151 R HN 1.177 nan 8.270 nan 0.000 0.407 152 G N 2.975 111.862 108.800 0.145 0.000 2.157 152 G HA2 -0.215 3.745 3.960 0.000 0.000 0.248 152 G HA3 -0.215 3.745 3.960 0.000 0.000 0.248 152 G C -0.444 174.453 174.900 -0.005 0.000 0.979 152 G CA 0.193 45.373 45.100 0.134 0.000 0.650 152 G HN 0.529 nan 8.290 nan 0.000 0.529 153 K N -0.670 119.707 120.400 -0.039 0.000 2.324 153 K HA 0.660 4.980 4.320 0.000 0.000 0.253 153 K C 0.874 177.485 176.600 0.018 0.000 0.932 153 K CA -0.874 55.328 56.287 -0.143 0.000 0.799 153 K CB 1.453 33.842 32.500 -0.186 0.000 1.154 153 K HN 0.168 nan 8.250 nan 0.000 0.425 154 Y N 0.366 120.590 120.300 -0.127 0.000 2.775 154 Y HA -0.456 4.094 4.550 0.000 0.000 0.474 154 Y C 1.803 177.625 175.900 -0.129 0.000 1.110 154 Y CA 2.234 60.263 58.100 -0.118 0.000 2.835 154 Y CB -1.471 36.924 38.460 -0.109 0.000 1.133 154 Y HN 0.789 nan 8.280 nan 0.000 0.613 155 G N -0.166 108.647 108.800 0.023 0.000 2.813 155 G HA2 0.205 4.165 3.960 0.000 0.000 0.209 155 G HA3 0.205 4.165 3.960 0.000 0.000 0.209 155 G C 0.230 175.152 174.900 0.037 0.000 1.150 155 G CA 0.763 45.779 45.100 -0.140 0.000 0.785 155 G HN 0.289 nan 8.290 nan 0.000 0.535 156 S N 0.125 115.880 115.700 0.091 0.000 2.610 156 S HA 0.405 4.875 4.470 0.000 0.000 0.273 156 S C 0.272 174.905 174.600 0.054 0.000 1.274 156 S CA -0.542 57.716 58.200 0.097 0.000 1.023 156 S CB 1.536 64.804 63.200 0.114 0.000 0.962 156 S HN 0.442 nan 8.310 nan 0.000 0.523 157 Q N 0.368 120.201 119.800 0.054 0.000 2.189 157 Q HA 0.659 4.999 4.340 0.000 0.000 0.193 157 Q C 0.647 176.680 176.000 0.056 0.000 1.034 157 Q CA -0.378 55.449 55.803 0.041 0.000 1.062 157 Q CB 0.371 29.131 28.738 0.035 0.000 1.118 157 Q HN 0.966 nan 8.270 nan 0.000 0.569 158 G N 0.401 109.232 108.800 0.051 0.000 2.757 158 G HA2 -0.149 3.811 3.960 0.000 0.000 0.638 158 G HA3 -0.149 3.811 3.960 0.000 0.000 0.638 158 G C -1.499 173.447 174.900 0.076 0.000 1.344 158 G CA -0.720 44.418 45.100 0.064 0.000 0.855 158 G HN 0.553 nan 8.290 nan 0.000 0.537 159 D N -0.385 120.065 120.400 0.084 0.000 2.210 159 D HA 0.468 5.108 4.640 0.000 0.000 0.249 159 D C -0.224 176.168 176.300 0.153 0.000 1.062 159 D CA 0.120 54.177 54.000 0.095 0.000 0.891 159 D CB 1.446 42.283 40.800 0.062 0.000 1.186 159 D HN 0.494 nan 8.370 nan 0.000 0.432 160 Y N 1.402 121.719 120.300 0.029 0.000 2.326 160 Y HA 0.398 4.948 4.550 0.000 0.000 0.337 160 Y C -0.950 174.983 175.900 0.055 0.000 1.023 160 Y CA -0.520 57.604 58.100 0.041 0.000 1.143 160 Y CB 0.876 39.342 38.460 0.010 0.000 1.183 160 Y HN 0.047 nan 8.280 nan 0.000 0.485 161 V N 8.183 127.735 119.914 -0.603 0.000 2.444 161 V HA 0.182 4.302 4.120 0.000 0.000 0.294 161 V C -0.110 175.510 176.094 -0.789 0.000 1.022 161 V CA -1.029 60.969 62.300 -0.503 0.000 0.850 161 V CB 1.309 33.045 31.823 -0.145 0.000 0.992 161 V HN 0.889 nan 8.190 nan 0.000 0.426 162 M N 5.741 124.900 119.600 -0.735 0.000 2.290 162 M HA 0.124 4.604 4.480 0.000 0.000 0.356 162 M C 1.013 177.142 176.300 -0.284 0.000 1.448 162 M CA 1.008 55.965 55.300 -0.573 0.000 0.993 162 M CB -0.532 31.430 32.600 -1.062 0.000 1.934 162 M HN 1.191 nan 8.290 nan 0.000 0.461 163 T N 2.547 117.039 114.554 -0.103 0.000 3.473 163 T HA -0.262 4.088 4.350 0.000 0.000 0.403 163 T C 0.175 174.896 174.700 0.034 0.000 0.768 163 T CA 0.974 62.857 62.100 -0.362 0.000 2.009 163 T CB -1.629 66.963 68.868 -0.461 0.000 1.715 163 T HN 0.984 nan 8.240 nan 0.000 0.666 164 R N 1.531 122.123 120.500 0.153 0.000 2.526 164 R HA 0.088 4.428 4.340 0.000 0.000 0.319 164 R C -2.029 174.415 176.300 0.241 0.000 0.888 164 R CA -0.811 55.388 56.100 0.166 0.000 1.127 164 R CB 0.163 30.568 30.300 0.174 0.000 0.888 164 R HN 0.364 nan 8.270 nan 0.000 0.410 165 P HA 0.070 nan 4.420 nan 0.000 0.269 165 P C -2.408 174.956 177.300 0.107 0.000 1.215 165 P CA -1.040 62.123 63.100 0.105 0.000 0.780 165 P CB 0.342 32.041 31.700 -0.002 0.000 0.898 166 P HA 0.009 nan 4.420 nan 0.000 0.272 166 P C -0.317 177.037 177.300 0.090 0.000 1.240 166 P CA 0.011 63.169 63.100 0.098 0.000 0.791 166 P CB 0.187 31.938 31.700 0.085 0.000 0.978 167 H N -0.098 118.988 119.070 0.028 0.000 3.094 167 H HA 0.338 4.894 4.556 0.000 0.000 0.320 167 H C 0.814 176.148 175.328 0.010 0.000 1.000 167 H CA 2.352 58.410 56.048 0.017 0.000 1.413 167 H CB -0.510 29.257 29.762 0.009 0.000 1.405 167 H HN 0.794 nan 8.280 nan 0.000 0.586 168 G N 3.813 112.295 108.800 -0.529 0.000 2.398 168 G HA2 -0.067 3.893 3.960 0.000 0.000 0.251 168 G HA3 -0.067 3.893 3.960 0.000 0.000 0.251 168 G C -2.093 172.654 174.900 -0.256 0.000 1.277 168 G CA -0.345 44.541 45.100 -0.356 0.000 0.927 168 G HN 0.463 nan 8.290 nan 0.000 0.477 169 P HA 0.035 nan 4.420 nan 0.000 0.219 169 P C 1.563 178.813 177.300 -0.084 0.000 1.146 169 P CA 1.036 64.072 63.100 -0.106 0.000 0.808 169 P CB 0.123 31.773 31.700 -0.083 0.000 0.779 170 L N -2.020 119.151 121.223 -0.087 0.000 2.607 170 L HA 0.238 4.578 4.340 0.000 0.000 0.228 170 L C 0.756 177.607 176.870 -0.032 0.000 1.123 170 L CA 0.154 54.962 54.840 -0.053 0.000 0.890 170 L CB -0.331 41.673 42.059 -0.091 0.000 1.103 170 L HN -0.044 nan 8.230 nan 0.000 0.468 171 N N 0.272 118.936 118.700 -0.060 0.000 2.732 171 N HA 0.165 4.905 4.740 0.000 0.000 0.247 171 N C -2.389 173.079 175.510 -0.069 0.000 1.305 171 N CA -1.161 51.874 53.050 -0.025 0.000 0.762 171 N CB 1.480 39.981 38.487 0.024 0.000 1.361 171 N HN -0.238 nan 8.380 nan 0.000 0.545 172 P HA 0.069 nan 4.420 nan 0.000 0.255 172 P C 0.525 177.882 177.300 0.094 0.000 1.248 172 P CA 0.238 63.321 63.100 -0.027 0.000 0.807 172 P CB -0.015 31.674 31.700 -0.019 0.000 1.150 173 T N -2.374 112.247 114.554 0.113 0.000 2.729 173 T HA 0.198 4.548 4.350 0.000 0.000 0.298 173 T C 1.211 176.002 174.700 0.151 0.000 1.013 173 T CA -0.321 61.846 62.100 0.112 0.000 0.957 173 T CB 0.844 69.760 68.868 0.080 0.000 1.130 173 T HN -0.200 nan 8.240 nan 0.000 0.526 174 K N 0.524 120.966 120.400 0.070 0.000 2.426 174 K HA 0.119 4.439 4.320 0.000 0.000 0.193 174 K C 1.049 177.645 176.600 -0.005 0.000 1.028 174 K CA 0.388 56.677 56.287 0.004 0.000 1.047 174 K CB -0.032 32.459 32.500 -0.014 0.000 0.821 174 K HN 0.906 nan 8.250 nan 0.000 0.513 175 T N -0.437 114.146 114.554 0.047 0.000 2.916 175 T HA 0.534 4.884 4.350 0.000 0.000 0.292 175 T C -0.797 173.957 174.700 0.090 0.000 1.055 175 T CA -0.871 61.261 62.100 0.054 0.000 1.009 175 T CB 2.568 71.472 68.868 0.060 0.000 1.118 175 T HN 0.049 nan 8.240 nan 0.000 0.497 176 D N -0.587 119.869 120.400 0.094 0.000 2.779 176 D HA 0.252 4.892 4.640 0.000 0.000 0.331 176 D C 0.549 176.920 176.300 0.118 0.000 1.331 176 D CA -0.679 53.391 54.000 0.115 0.000 0.866 176 D CB 0.109 40.983 40.800 0.122 0.000 1.409 176 D HN 0.351 nan 8.370 nan 0.000 0.486 177 E N -0.450 119.826 120.200 0.126 0.000 2.265 177 E HA -0.067 4.283 4.350 0.000 0.000 0.196 177 E C 1.451 178.101 176.600 0.084 0.000 0.996 177 E CA 1.350 57.819 56.400 0.114 0.000 0.832 177 E CB -0.381 29.371 29.700 0.086 0.000 0.756 177 E HN 0.574 nan 8.360 nan 0.000 0.491 178 T N 0.532 115.133 114.554 0.078 0.000 2.732 178 T HA -0.115 4.235 4.350 0.000 0.000 0.261 178 T C 2.124 176.918 174.700 0.156 0.000 1.040 178 T CA 2.083 64.242 62.100 0.098 0.000 1.145 178 T CB -0.404 68.514 68.868 0.082 0.000 0.866 178 T HN 0.420 nan 8.240 nan 0.000 0.427 179 T N 0.611 115.238 114.554 0.122 0.000 2.867 179 T HA -0.118 4.232 4.350 0.000 0.000 0.268 179 T C 1.560 176.379 174.700 0.198 0.000 1.057 179 T CA 1.249 63.428 62.100 0.133 0.000 1.136 179 T CB -0.496 68.391 68.868 0.032 0.000 0.874 179 T HN 0.113 nan 8.240 nan 0.000 0.466 180 D N 1.952 122.445 120.400 0.155 0.000 2.144 180 D HA 0.079 4.719 4.640 0.000 0.000 0.199 180 D C 2.400 178.794 176.300 0.156 0.000 0.984 180 D CA 1.413 55.501 54.000 0.147 0.000 0.834 180 D CB -0.581 40.297 40.800 0.131 0.000 0.955 180 D HN 0.587 nan 8.370 nan 0.000 0.465 181 A N -0.523 122.393 122.820 0.160 0.000 1.929 181 A HA -0.102 4.218 4.320 0.000 0.000 0.216 181 A C 2.150 179.832 177.584 0.165 0.000 1.176 181 A CA 0.877 52.993 52.037 0.131 0.000 0.628 181 A CB -1.086 17.977 19.000 0.104 0.000 0.816 181 A HN 0.370 nan 8.150 nan 0.000 0.444 182 W N 1.234 122.577 121.300 0.071 0.000 2.355 182 W HA -0.177 4.483 4.660 0.000 0.000 0.309 182 W C 1.412 177.994 176.519 0.106 0.000 1.206 182 W CA 1.880 59.296 57.345 0.118 0.000 1.284 182 W CB 0.073 29.606 29.460 0.122 0.000 1.145 182 W HN 0.364 nan 8.180 nan 0.000 0.502 183 D N -0.917 119.788 120.400 0.508 0.000 2.178 183 D HA -0.158 4.482 4.640 0.000 0.000 0.201 183 D C 2.108 178.524 176.300 0.193 0.000 0.980 183 D CA 1.977 56.208 54.000 0.385 0.000 0.842 183 D CB -0.809 40.162 40.800 0.285 0.000 0.948 183 D HN 0.148 nan 8.370 nan 0.000 0.472 184 T N 0.485 115.109 114.554 0.117 0.000 2.737 184 T HA -0.076 4.274 4.350 0.000 0.000 0.265 184 T C 2.279 176.990 174.700 0.018 0.000 1.038 184 T CA 0.715 62.854 62.100 0.064 0.000 1.144 184 T CB -0.284 68.604 68.868 0.034 0.000 0.866 184 T HN -0.034 nan 8.240 nan 0.000 0.434 185 V N 1.747 121.582 119.914 -0.132 0.000 2.343 185 V HA -0.191 3.929 4.120 0.000 0.000 0.247 185 V C 2.354 178.133 176.094 -0.525 0.000 1.051 185 V CA 2.020 64.122 62.300 -0.329 0.000 1.036 185 V CB -0.651 30.901 31.823 -0.451 0.000 0.654 185 V HN 0.485 nan 8.190 nan 0.000 0.451 186 D N -1.390 118.613 120.400 -0.661 0.000 2.123 186 D HA -0.265 4.375 4.640 0.000 0.000 0.196 186 D C 1.873 178.204 176.300 0.051 0.000 0.992 186 D CA 1.669 55.408 54.000 -0.435 0.000 0.833 186 D CB -0.204 40.514 40.800 -0.137 0.000 0.954 186 D HN 0.564 nan 8.370 nan 0.000 0.455 187 W N 0.516 121.780 121.300 -0.060 0.000 2.381 187 W HA -0.044 4.616 4.660 0.000 0.000 0.301 187 W C 1.944 178.451 176.519 -0.020 0.000 1.205 187 W CA 1.024 58.373 57.345 0.007 0.000 1.285 187 W CB -0.266 29.196 29.460 0.003 0.000 1.133 187 W HN -0.004 nan 8.180 nan 0.000 0.521 188 L N 0.351 121.726 121.223 0.253 0.000 2.042 188 L HA -0.240 4.100 4.340 0.000 0.000 0.210 188 L C 2.423 179.206 176.870 -0.144 0.000 1.076 188 L CA 1.704 56.606 54.840 0.103 0.000 0.749 188 L CB -1.333 40.773 42.059 0.079 0.000 0.893 188 L HN 0.073 nan 8.230 nan 0.000 0.432 189 V N -4.492 115.293 119.914 -0.215 0.000 3.380 189 V HA -0.154 3.966 4.120 0.000 0.000 0.268 189 V C 1.438 177.259 176.094 -0.456 0.000 1.168 189 V CA 1.304 63.409 62.300 -0.325 0.000 1.156 189 V CB -0.885 30.717 31.823 -0.369 0.000 0.785 189 V HN 0.468 nan 8.190 nan 0.000 0.487 190 H N 0.013 118.916 119.070 -0.277 0.000 2.827 190 H HA 0.382 4.938 4.556 0.000 0.000 0.269 190 H C 1.146 176.218 175.328 -0.427 0.000 1.031 190 H CA 0.659 56.532 56.048 -0.292 0.000 1.202 190 H CB 0.413 30.026 29.762 -0.249 0.000 1.511 190 H HN 0.498 nan 8.280 nan 0.000 0.517 191 N N -0.457 117.920 118.700 -0.538 0.000 2.160 191 N HA 0.132 4.872 4.740 0.000 0.000 0.226 191 N C -1.091 174.154 175.510 -0.441 0.000 1.256 191 N CA 0.090 52.718 53.050 -0.704 0.000 0.890 191 N CB 2.256 39.765 38.487 -1.630 0.000 1.116 191 N HN -0.105 nan 8.380 nan 0.000 0.517 192 V N 2.054 121.797 119.914 -0.284 0.000 2.266 192 V HA 0.287 4.407 4.120 0.000 0.000 0.271 192 V C -1.797 174.225 176.094 -0.119 0.000 1.032 192 V CA -1.246 60.970 62.300 -0.140 0.000 0.806 192 V CB 1.469 33.248 31.823 -0.073 0.000 1.052 192 V HN -0.034 nan 8.190 nan 0.000 0.449 193 P HA -0.069 nan 4.420 nan 0.000 0.222 193 P C 1.078 178.338 177.300 -0.067 0.000 1.147 193 P CA 0.830 63.880 63.100 -0.082 0.000 0.790 193 P CB 0.438 32.100 31.700 -0.063 0.000 0.780 194 E N -0.545 119.622 120.200 -0.054 0.000 2.482 194 E HA -0.010 4.340 4.350 0.000 0.000 0.196 194 E C 0.853 177.417 176.600 -0.060 0.000 1.047 194 E CA 0.184 56.557 56.400 -0.044 0.000 0.869 194 E CB -0.335 29.351 29.700 -0.023 0.000 0.836 194 E HN 0.290 nan 8.360 nan 0.000 0.520 195 S N 0.700 116.354 115.700 -0.077 0.000 2.687 195 S HA 0.181 4.651 4.470 0.000 0.000 0.283 195 S C 0.733 175.269 174.600 -0.107 0.000 1.170 195 S CA -0.729 57.414 58.200 -0.095 0.000 1.008 195 S CB 1.000 64.140 63.200 -0.100 0.000 1.026 195 S HN 0.141 nan 8.310 nan 0.000 0.541 196 N N 0.065 118.694 118.700 -0.119 0.000 2.270 196 N HA 0.214 4.954 4.740 0.000 0.000 0.198 196 N C 1.167 176.603 175.510 -0.123 0.000 1.117 196 N CA 0.394 53.374 53.050 -0.115 0.000 0.845 196 N CB -0.288 38.129 38.487 -0.117 0.000 0.980 196 N HN 1.360 nan 8.380 nan 0.000 0.486 197 G N 0.358 109.075 108.800 -0.139 0.000 2.179 197 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 197 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 197 G C -0.410 174.406 174.900 -0.139 0.000 0.977 197 G CA -0.037 44.969 45.100 -0.157 0.000 0.641 197 G HN 0.463 nan 8.290 nan 0.000 0.533 198 R N 0.017 120.440 120.500 -0.128 0.000 2.338 198 R HA 0.653 4.993 4.340 0.000 0.000 0.317 198 R C -0.693 175.536 176.300 -0.119 0.000 0.968 198 R CA -0.634 55.395 56.100 -0.118 0.000 0.849 198 R CB 2.339 32.573 30.300 -0.110 0.000 1.128 198 R HN 0.149 nan 8.270 nan 0.000 0.448 199 V N 1.331 121.174 119.914 -0.119 0.000 2.555 199 V HA 0.637 4.757 4.120 0.000 0.000 0.302 199 V C 0.414 176.430 176.094 -0.130 0.000 1.038 199 V CA -0.817 61.418 62.300 -0.109 0.000 0.887 199 V CB 2.124 33.876 31.823 -0.117 0.000 0.991 199 V HN 0.944 nan 8.190 nan 0.000 0.434 200 G N 3.591 112.332 108.800 -0.097 0.000 2.452 200 G HA2 0.724 4.684 3.960 0.000 0.000 0.324 200 G HA3 0.724 4.684 3.960 0.000 0.000 0.324 200 G C -1.021 173.886 174.900 0.013 0.000 1.214 200 G CA -0.666 44.335 45.100 -0.164 0.000 0.947 200 G HN 0.530 nan 8.290 nan 0.000 0.478 201 M N 1.330 120.958 119.600 0.046 0.000 2.383 201 M HA 0.574 5.054 4.480 0.000 0.000 0.325 201 M C -0.178 176.245 176.300 0.204 0.000 1.092 201 M CA -0.494 54.855 55.300 0.081 0.000 0.961 201 M CB 2.687 35.296 32.600 0.015 0.000 1.672 201 M HN 0.612 nan 8.290 nan 0.000 0.438 202 T N 1.182 115.803 114.554 0.113 0.000 2.731 202 T HA 0.912 5.262 4.350 0.000 0.000 0.300 202 T C -1.323 173.419 174.700 0.070 0.000 1.283 202 T CA 0.033 62.203 62.100 0.116 0.000 1.005 202 T CB 2.111 71.079 68.868 0.166 0.000 1.420 202 T HN 1.007 nan 8.240 nan 0.000 0.503 203 G N 0.758 109.613 108.800 0.092 0.000 2.329 203 G HA2 0.408 4.369 3.960 0.000 0.000 0.308 203 G HA3 0.408 4.369 3.960 0.000 0.000 0.308 203 G C -1.235 173.757 174.900 0.153 0.000 1.587 203 G CA 0.039 45.223 45.100 0.141 0.000 0.978 203 G HN 0.775 nan 8.290 nan 0.000 0.685 204 S N -0.010 115.801 115.700 0.185 0.000 2.549 204 S HA 0.923 5.393 4.470 0.000 0.000 0.297 204 S C 1.138 175.911 174.600 0.289 0.000 1.115 204 S CA 1.392 59.693 58.200 0.167 0.000 1.059 204 S CB 1.106 64.340 63.200 0.058 0.000 1.046 204 S HN 2.641 nan 8.310 nan 0.000 0.506 205 A N 3.396 126.406 122.820 0.318 0.000 5.195 205 A HA -0.315 4.005 4.320 0.000 0.000 0.310 205 A C 1.153 179.005 177.584 0.448 0.000 1.951 205 A CA 1.794 54.098 52.037 0.445 0.000 0.714 205 A CB -2.069 17.283 19.000 0.587 0.000 1.301 205 A HN 1.286 nan 8.150 nan 0.000 0.369 206 Y N 1.513 122.065 120.300 0.419 0.000 2.293 206 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 206 Y C 2.547 178.696 175.900 0.415 0.000 1.137 206 Y CA 2.256 60.592 58.100 0.393 0.000 1.202 206 Y CB -0.072 38.582 38.460 0.324 0.000 0.990 206 Y HN 0.660 nan 8.280 nan 0.000 0.537 207 E N -1.095 119.457 120.200 0.587 0.000 2.347 207 E HA -0.109 4.241 4.350 0.000 0.000 0.196 207 E C 2.159 178.955 176.600 0.326 0.000 1.008 207 E CA 0.651 57.311 56.400 0.433 0.000 0.852 207 E CB -0.137 29.797 29.700 0.391 0.000 0.783 207 E HN 0.595 nan 8.360 nan 0.000 0.505 208 G N 0.699 109.698 108.800 0.331 0.000 2.492 208 G HA2 -0.188 3.772 3.960 0.000 0.000 0.214 208 G HA3 -0.188 3.772 3.960 0.000 0.000 0.214 208 G C 1.271 176.330 174.900 0.264 0.000 1.147 208 G CA -0.170 45.080 45.100 0.250 0.000 0.809 208 G HN 0.259 nan 8.290 nan 0.000 0.533 209 F N 3.195 123.243 119.950 0.164 0.000 2.171 209 F HA -0.136 4.391 4.527 0.000 0.000 0.300 209 F C 2.783 178.659 175.800 0.127 0.000 1.090 209 F CA 2.247 60.309 58.000 0.104 0.000 1.293 209 F CB -0.456 38.501 39.000 -0.071 0.000 1.013 209 F HN 0.164 nan 8.300 nan 0.000 0.486 210 T N -2.049 112.547 114.554 0.070 0.000 2.915 210 T HA -0.094 4.256 4.350 0.000 0.000 0.269 210 T C 1.962 176.639 174.700 -0.039 0.000 1.071 210 T CA 1.252 63.335 62.100 -0.028 0.000 1.132 210 T CB -1.156 67.832 68.868 0.200 0.000 0.878 210 T HN 0.182 nan 8.240 nan 0.000 0.479 211 V N 1.441 121.366 119.914 0.018 0.000 2.307 211 V HA -0.115 4.005 4.120 0.000 0.000 0.245 211 V C 2.916 178.995 176.094 -0.025 0.000 1.045 211 V CA 1.248 63.549 62.300 0.002 0.000 1.024 211 V CB -0.752 31.074 31.823 0.006 0.000 0.651 211 V HN 0.373 nan 8.190 nan 0.000 0.449 212 V N -0.554 119.355 119.914 -0.009 0.000 2.332 212 V HA -0.303 3.817 4.120 0.000 0.000 0.248 212 V C 2.558 178.645 176.094 -0.011 0.000 1.055 212 V CA 1.893 64.230 62.300 0.061 0.000 1.038 212 V CB -0.670 31.265 31.823 0.186 0.000 0.651 212 V HN 0.399 nan 8.190 nan 0.000 0.450 213 M N -0.069 119.427 119.600 -0.174 0.000 2.108 213 M HA -0.141 4.339 4.480 0.000 0.000 0.261 213 M C 2.389 178.668 176.300 -0.034 0.000 1.066 213 M CA 2.224 57.421 55.300 -0.172 0.000 1.107 213 M CB -1.437 30.947 32.600 -0.361 0.000 1.356 213 M HN 0.429 nan 8.290 nan 0.000 0.406 214 A N -0.078 122.733 122.820 -0.015 0.000 1.969 214 A HA -0.095 4.225 4.320 0.000 0.000 0.218 214 A C 2.213 179.834 177.584 0.062 0.000 1.169 214 A CA 1.075 53.138 52.037 0.044 0.000 0.635 214 A CB -0.854 18.166 19.000 0.033 0.000 0.810 214 A HN 0.491 nan 8.150 nan 0.000 0.445 215 L N -0.319 120.932 121.223 0.047 0.000 2.362 215 L HA -0.098 4.242 4.340 0.000 0.000 0.219 215 L C 2.157 179.082 176.870 0.092 0.000 1.134 215 L CA 0.296 55.176 54.840 0.068 0.000 0.807 215 L CB -0.414 41.693 42.059 0.080 0.000 0.927 215 L HN 0.394 nan 8.230 nan 0.000 0.447 216 L N -0.735 120.541 121.223 0.087 0.000 2.141 216 L HA -0.098 4.242 4.340 0.000 0.000 0.209 216 L C 0.367 177.291 176.870 0.091 0.000 1.094 216 L CA 0.992 55.885 54.840 0.089 0.000 0.763 216 L CB -0.095 42.010 42.059 0.076 0.000 0.908 216 L HN 0.237 nan 8.230 nan 0.000 0.437 217 D N -0.863 119.604 120.400 0.112 0.000 2.826 217 D HA 0.163 4.803 4.640 0.000 0.000 0.239 217 D C -2.601 173.848 176.300 0.248 0.000 1.329 217 D CA -1.067 53.017 54.000 0.141 0.000 0.854 217 D CB 1.125 41.983 40.800 0.097 0.000 1.494 217 D HN -0.125 nan 8.370 nan 0.000 0.540 218 P HA 0.177 nan 4.420 nan 0.000 0.279 218 P C -0.113 177.303 177.300 0.194 0.000 1.252 218 P CA -0.373 62.843 63.100 0.193 0.000 0.811 218 P CB 0.897 32.643 31.700 0.077 0.000 1.035 219 H N 3.252 122.221 119.070 -0.167 0.000 2.732 219 H HA 0.074 4.630 4.556 0.000 0.000 0.351 219 H C -1.223 173.960 175.328 -0.241 0.000 1.090 219 H CA -1.220 54.497 56.048 -0.552 0.000 1.431 219 H CB 0.857 30.066 29.762 -0.921 0.000 1.447 219 H HN 0.222 nan 8.280 nan 0.000 0.582 220 P HA -0.141 nan 4.420 nan 0.000 0.220 220 P C 0.862 178.127 177.300 -0.058 0.000 1.144 220 P CA 1.474 64.464 63.100 -0.184 0.000 0.800 220 P CB 0.008 31.567 31.700 -0.235 0.000 0.772 221 A N -0.790 122.105 122.820 0.125 0.000 2.119 221 A HA 0.006 4.326 4.320 0.000 0.000 0.216 221 A C 1.185 178.741 177.584 -0.047 0.000 1.152 221 A CA 0.059 52.121 52.037 0.042 0.000 0.708 221 A CB -0.978 18.034 19.000 0.019 0.000 0.805 221 A HN 0.184 nan 8.150 nan 0.000 0.460 222 L N 0.807 122.003 121.223 -0.045 0.000 2.433 222 L HA 0.199 4.539 4.340 0.000 0.000 0.284 222 L C 0.778 177.570 176.870 -0.130 0.000 1.120 222 L CA 0.141 54.924 54.840 -0.095 0.000 0.879 222 L CB 0.204 42.220 42.059 -0.072 0.000 1.232 222 L HN 0.027 nan 8.230 nan 0.000 0.454 223 K N 3.553 123.850 120.400 -0.171 0.000 2.314 223 K HA 0.274 4.594 4.320 0.000 0.000 0.198 223 K C -0.069 176.309 176.600 -0.370 0.000 1.045 223 K CA 0.375 56.535 56.287 -0.212 0.000 0.988 223 K CB 0.411 32.828 32.500 -0.138 0.000 0.783 223 K HN 0.405 nan 8.250 nan 0.000 0.484 224 V N -0.582 119.083 119.914 -0.416 0.000 3.147 224 V HA 0.665 4.785 4.120 0.000 0.000 0.299 224 V C -2.032 173.808 176.094 -0.422 0.000 1.302 224 V CA -0.799 61.171 62.300 -0.550 0.000 1.015 224 V CB 2.224 33.538 31.823 -0.847 0.000 1.086 224 V HN 0.160 nan 8.190 nan 0.000 0.437 225 A N 3.785 126.503 122.820 -0.171 0.000 2.475 225 A HA 1.024 5.344 4.320 0.000 0.000 0.301 225 A C -0.555 177.152 177.584 0.205 0.000 1.059 225 A CA -0.132 51.918 52.037 0.022 0.000 0.710 225 A CB 2.100 21.049 19.000 -0.084 0.000 1.288 225 A HN 2.248 nan 8.150 nan 0.000 0.408 226 A N 2.510 125.475 122.820 0.241 0.000 2.984 226 A HA 0.705 5.025 4.320 0.000 0.000 0.320 226 A C -3.125 174.399 177.584 -0.099 0.000 1.142 226 A CA -1.301 50.764 52.037 0.046 0.000 0.772 226 A CB 0.430 19.452 19.000 0.036 0.000 1.195 226 A HN 0.412 nan 8.150 nan 0.000 0.459 227 P HA 0.320 nan 4.420 nan 0.000 0.276 227 P C -0.514 176.785 177.300 -0.001 0.000 1.253 227 P CA 0.414 63.450 63.100 -0.107 0.000 0.766 227 P CB 0.729 32.293 31.700 -0.227 0.000 0.845 228 E N 1.520 121.750 120.200 0.050 0.000 2.151 228 E HA 0.272 4.622 4.350 0.000 0.000 0.275 228 E C -0.069 176.611 176.600 0.133 0.000 0.936 228 E CA -0.709 55.721 56.400 0.051 0.000 0.777 228 E CB 0.619 30.312 29.700 -0.012 0.000 1.108 228 E HN 0.235 nan 8.360 nan 0.000 0.401 229 S N 2.638 118.434 115.700 0.160 0.000 3.410 229 S HA -0.137 4.333 4.470 0.000 0.000 0.369 229 S C -2.174 172.598 174.600 0.287 0.000 0.961 229 S CA 0.174 58.510 58.200 0.227 0.000 1.248 229 S CB -1.475 61.852 63.200 0.211 0.000 0.914 229 S HN 0.477 nan 8.310 nan 0.000 0.497 230 P HA 0.202 nan 4.420 nan 0.000 0.275 230 P C -0.073 177.405 177.300 0.297 0.000 1.228 230 P CA -0.439 62.857 63.100 0.326 0.000 0.786 230 P CB 0.507 32.438 31.700 0.385 0.000 0.927 231 M N 2.829 122.592 119.600 0.272 0.000 2.266 231 M HA 0.075 4.555 4.480 0.000 0.000 0.340 231 M C 0.888 177.357 176.300 0.282 0.000 1.486 231 M CA -0.064 55.330 55.300 0.157 0.000 1.209 231 M CB 0.349 32.922 32.600 -0.045 0.000 1.714 231 M HN 0.137 nan 8.290 nan 0.000 0.459 232 V N 0.474 120.540 119.914 0.254 0.000 2.911 232 V HA 0.130 4.250 4.120 0.000 0.000 0.237 232 V C 0.175 176.423 176.094 0.256 0.000 1.156 232 V CA 0.873 63.353 62.300 0.300 0.000 1.180 232 V CB 0.552 32.563 31.823 0.314 0.000 0.932 232 V HN 0.749 nan 8.190 nan 0.000 0.483 233 D N -0.061 120.444 120.400 0.175 0.000 2.346 233 D HA 0.308 4.948 4.640 0.000 0.000 0.255 233 D C 0.988 177.252 176.300 -0.060 0.000 1.276 233 D CA 0.361 54.406 54.000 0.075 0.000 0.941 233 D CB 1.465 42.217 40.800 -0.080 0.000 1.199 233 D HN 0.182 nan 8.370 nan 0.000 0.537 234 G N 1.534 110.373 108.800 0.065 0.000 2.535 234 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 234 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 234 G C 1.061 175.956 174.900 -0.009 0.000 1.122 234 G CA 0.204 45.255 45.100 -0.081 0.000 0.769 234 G HN 0.527 nan 8.290 nan 0.000 0.549 235 W N -0.259 120.878 121.300 -0.272 0.000 2.728 235 W HA 0.258 4.918 4.660 0.000 0.000 0.270 235 W C 2.375 178.496 176.519 -0.662 0.000 1.150 235 W CA 0.135 57.210 57.345 -0.450 0.000 1.518 235 W CB 0.244 29.313 29.460 -0.651 0.000 1.069 235 W HN -0.031 nan 8.180 nan 0.000 0.590 236 M N -0.165 119.069 119.600 -0.611 0.000 2.086 236 M HA 0.108 4.588 4.480 0.000 0.000 0.261 236 M C 1.540 176.865 176.300 -1.625 0.000 1.067 236 M CA 1.980 56.444 55.300 -1.392 0.000 1.116 236 M CB -1.417 29.940 32.600 -2.071 0.000 1.348 236 M HN 0.270 nan 8.290 nan 0.000 0.407 237 G N -1.375 106.667 108.800 -1.264 0.000 4.983 237 G HA2 0.091 4.051 3.960 0.000 0.000 0.209 237 G HA3 0.091 4.051 3.960 0.000 0.000 0.209 237 G C -0.088 174.549 174.900 -0.437 0.000 0.863 237 G CA -0.367 44.166 45.100 -0.945 0.000 0.793 237 G HN 0.197 nan 8.290 nan 0.000 0.341 238 D N 0.209 120.458 120.400 -0.251 0.000 3.009 238 D HA 0.147 4.787 4.640 0.000 0.000 0.243 238 D C 1.079 177.292 176.300 -0.146 0.000 1.204 238 D CA -0.137 53.800 54.000 -0.104 0.000 1.171 238 D CB 0.600 41.328 40.800 -0.119 0.000 0.954 238 D HN -0.092 nan 8.370 nan 0.000 0.241 239 D N -0.532 119.587 120.400 -0.469 0.000 2.137 239 D HA -0.031 4.609 4.640 0.000 0.000 0.202 239 D C 2.239 178.218 176.300 -0.536 0.000 0.970 239 D CA 0.741 54.317 54.000 -0.706 0.000 0.837 239 D CB 0.095 40.105 40.800 -1.316 0.000 0.981 239 D HN 0.392 nan 8.370 nan 0.000 0.475 240 W N -0.134 121.097 121.300 -0.116 0.000 2.525 240 W HA 0.120 4.780 4.660 0.000 0.000 0.288 240 W C 0.580 176.712 176.519 -0.644 0.000 1.200 240 W CA -0.482 56.683 57.345 -0.300 0.000 1.349 240 W CB 0.001 29.472 29.460 0.018 0.000 1.102 240 W HN -0.224 nan 8.180 nan 0.000 0.558 241 F N -1.349 118.550 119.950 -0.086 0.000 2.629 241 F HA 0.429 4.956 4.527 0.000 0.000 0.316 241 F C -0.340 175.346 175.800 -0.190 0.000 1.081 241 F CA -1.355 56.492 58.000 -0.255 0.000 0.954 241 F CB 1.266 39.778 39.000 -0.813 0.000 1.337 241 F HN -0.291 nan 8.300 nan 0.000 0.474 242 H N 1.416 120.389 119.070 -0.162 0.000 2.970 242 H HA 0.216 4.772 4.556 0.000 0.000 0.315 242 H C -1.145 173.942 175.328 -0.402 0.000 0.992 242 H CA -0.856 55.024 56.048 -0.280 0.000 1.363 242 H CB 0.768 30.548 29.762 0.029 0.000 1.532 242 H HN 0.688 nan 8.280 nan 0.000 0.514 243 Y N 1.710 121.645 120.300 -0.607 0.000 3.491 243 Y HA -0.305 4.245 4.550 0.000 0.000 0.215 243 Y C 1.554 176.921 175.900 -0.888 0.000 1.219 243 Y CA 1.478 59.135 58.100 -0.739 0.000 1.485 243 Y CB -1.752 36.393 38.460 -0.524 0.000 1.450 243 Y HN 1.121 nan 8.280 nan 0.000 0.603 244 G N -2.095 105.870 108.800 -1.393 0.000 2.195 244 G HA2 -0.038 3.922 3.960 0.000 0.000 0.246 244 G HA3 -0.038 3.922 3.960 0.000 0.000 0.246 244 G C 0.341 175.152 174.900 -0.149 0.000 0.984 244 G CA -0.127 44.282 45.100 -1.151 0.000 0.633 244 G HN 1.570 nan 8.290 nan 0.000 0.525 245 A N 0.444 123.238 122.820 -0.044 0.000 2.347 245 A HA 0.646 4.966 4.320 0.000 0.000 0.287 245 A C -0.058 177.743 177.584 0.361 0.000 1.199 245 A CA -0.356 51.778 52.037 0.160 0.000 0.851 245 A CB 0.133 19.102 19.000 -0.051 0.000 1.118 245 A HN 1.291 nan 8.150 nan 0.000 0.525 246 F N 3.049 123.104 119.950 0.175 0.000 2.495 246 F HA 0.338 4.865 4.527 0.000 0.000 0.365 246 F C 0.749 176.411 175.800 -0.230 0.000 1.090 246 F CA -0.073 57.826 58.000 -0.169 0.000 1.235 246 F CB 0.608 39.557 39.000 -0.084 0.000 1.119 246 F HN 0.567 nan 8.300 nan 0.000 0.562 247 R N 6.058 125.754 120.500 -1.340 0.000 2.205 247 R HA 0.134 4.474 4.340 0.000 0.000 0.342 247 R C 0.911 176.089 176.300 -1.871 0.000 1.058 247 R CA -0.281 54.970 56.100 -1.414 0.000 0.904 247 R CB 0.705 30.371 30.300 -1.058 0.000 1.089 247 R HN 0.761 nan 8.270 nan 0.000 0.471 248 Q N 1.362 120.248 119.800 -1.524 0.000 2.500 248 Q HA -0.076 4.264 4.340 0.000 0.000 0.213 248 Q C 1.635 176.661 176.000 -1.624 0.000 0.974 248 Q CA 1.061 55.992 55.803 -1.453 0.000 0.918 248 Q CB 0.258 28.249 28.738 -1.245 0.000 0.980 248 Q HN 0.858 nan 8.270 nan 0.000 0.505 249 G N 0.710 108.390 108.800 -1.868 0.000 2.598 249 G HA2 -0.033 3.927 3.960 0.000 0.000 0.215 249 G HA3 -0.033 3.927 3.960 0.000 0.000 0.215 249 G C 1.407 175.641 174.900 -1.111 0.000 1.131 249 G CA 0.564 44.457 45.100 -2.011 0.000 0.785 249 G HN 0.380 nan 8.290 nan 0.000 0.539 250 A N 0.679 122.863 122.820 -1.060 0.000 1.969 250 A HA 0.132 4.452 4.320 0.000 0.000 0.218 250 A C 1.984 178.904 177.584 -1.107 0.000 1.169 250 A CA 0.935 52.432 52.037 -0.901 0.000 0.635 250 A CB -0.440 18.067 19.000 -0.822 0.000 0.810 250 A HN 0.242 nan 8.150 nan 0.000 0.445 251 F N 0.864 120.386 119.950 -0.713 0.000 2.095 251 F HA -0.166 4.361 4.527 0.000 0.000 0.298 251 F C 2.151 177.788 175.800 -0.272 0.000 1.104 251 F CA 1.247 58.985 58.000 -0.436 0.000 1.232 251 F CB -0.881 38.043 39.000 -0.127 0.000 0.987 251 F HN 0.241 nan 8.300 nan 0.000 0.475 252 D N -1.327 119.040 120.400 -0.056 0.000 2.117 252 D HA -0.235 4.405 4.640 0.000 0.000 0.197 252 D C 2.166 178.474 176.300 0.012 0.000 0.987 252 D CA 1.146 55.133 54.000 -0.022 0.000 0.829 252 D CB -0.672 40.090 40.800 -0.064 0.000 0.961 252 D HN 0.349 nan 8.370 nan 0.000 0.460 253 Y N 0.470 120.684 120.300 -0.143 0.000 2.224 253 Y HA -0.203 4.347 4.550 0.000 0.000 0.289 253 Y C 2.190 178.223 175.900 0.222 0.000 1.146 253 Y CA 1.450 59.565 58.100 0.026 0.000 1.182 253 Y CB -0.405 38.082 38.460 0.044 0.000 0.983 253 Y HN -0.075 nan 8.280 nan 0.000 0.524 254 F N -1.479 118.556 119.950 0.141 0.000 2.075 254 F HA -0.275 4.252 4.527 0.000 0.000 0.297 254 F C 2.258 178.016 175.800 -0.071 0.000 1.113 254 F CA 0.948 58.984 58.000 0.059 0.000 1.218 254 F CB -0.562 38.486 39.000 0.080 0.000 0.984 254 F HN -0.133 nan 8.300 nan 0.000 0.472 255 V N -1.045 118.892 119.914 0.039 0.000 2.515 255 V HA -0.255 3.865 4.120 0.000 0.000 0.250 255 V C 2.325 178.446 176.094 0.045 0.000 1.058 255 V CA 1.907 64.176 62.300 -0.051 0.000 1.064 255 V CB -0.493 31.262 31.823 -0.112 0.000 0.675 255 V HN 0.328 nan 8.190 nan 0.000 0.461 256 S N -0.933 114.772 115.700 0.008 0.000 2.387 256 S HA -0.161 4.309 4.470 0.000 0.000 0.226 256 S C 1.937 176.508 174.600 -0.049 0.000 1.026 256 S CA 1.136 59.328 58.200 -0.012 0.000 0.972 256 S CB -0.061 63.130 63.200 -0.014 0.000 0.814 256 S HN 0.571 nan 8.310 nan 0.000 0.477 257 Q N -0.396 119.336 119.800 -0.113 0.000 2.396 257 Q HA 0.320 4.660 4.340 0.000 0.000 0.209 257 Q C 1.075 177.042 176.000 -0.054 0.000 0.906 257 Q CA 0.492 56.198 55.803 -0.161 0.000 0.927 257 Q CB 0.201 28.719 28.738 -0.367 0.000 1.069 257 Q HN 0.571 nan 8.270 nan 0.000 0.523 258 M N -0.773 118.898 119.600 0.118 0.000 2.412 258 M HA 0.130 4.610 4.480 0.000 0.000 0.315 258 M C 0.981 177.426 176.300 0.242 0.000 1.092 258 M CA 0.091 55.530 55.300 0.232 0.000 0.974 258 M CB 0.821 33.647 32.600 0.375 0.000 1.437 258 M HN -0.139 nan 8.290 nan 0.000 0.524 259 T N 1.001 115.675 114.554 0.201 0.000 2.942 259 T HA 0.233 4.583 4.350 0.000 0.000 0.265 259 T C 0.697 175.394 174.700 -0.004 0.000 1.062 259 T CA 0.954 63.138 62.100 0.141 0.000 1.139 259 T CB 0.192 69.148 68.868 0.146 0.000 0.883 259 T HN 0.472 nan 8.240 nan 0.000 0.468 260 A N -0.179 122.610 122.820 -0.053 0.000 2.602 260 A HA 0.688 5.008 4.320 0.000 0.000 0.290 260 A C 0.826 178.293 177.584 -0.196 0.000 1.114 260 A CA -0.674 51.297 52.037 -0.112 0.000 0.683 260 A CB 0.869 19.799 19.000 -0.116 0.000 1.281 260 A HN 0.058 nan 8.150 nan 0.000 0.416 261 R N -0.089 120.289 120.500 -0.204 0.000 2.091 261 R HA -0.070 4.270 4.340 0.000 0.000 0.238 261 R C 1.212 177.189 176.300 -0.538 0.000 1.136 261 R CA 2.225 58.162 56.100 -0.272 0.000 0.959 261 R CB -0.375 29.819 30.300 -0.178 0.000 0.856 261 R HN 0.867 nan 8.270 nan 0.000 0.437 262 G N -0.972 107.494 108.800 -0.558 0.000 2.829 262 G HA2 0.369 4.329 3.960 0.000 0.000 0.173 262 G HA3 0.369 4.329 3.960 0.000 0.000 0.173 262 G C -0.394 174.023 174.900 -0.806 0.000 1.476 262 G CA -0.205 44.313 45.100 -0.971 0.000 1.072 262 G HN 0.398 nan 8.290 nan 0.000 0.577 263 G N -1.279 107.316 108.800 -0.341 0.000 2.527 263 G HA2 0.515 4.475 3.960 0.000 0.000 0.248 263 G HA3 0.515 4.475 3.960 0.000 0.000 0.248 263 G C 0.133 174.995 174.900 -0.064 0.000 1.231 263 G CA 0.594 45.663 45.100 -0.051 0.000 0.838 263 G HN 0.876 nan 8.290 nan 0.000 0.570 264 G N -0.110 108.680 108.800 -0.018 0.000 3.222 264 G HA2 0.629 4.589 3.960 0.000 0.000 0.263 264 G HA3 0.629 4.589 3.960 0.000 0.000 0.263 264 G C -0.802 174.106 174.900 0.013 0.000 1.312 264 G CA -0.767 44.329 45.100 -0.006 0.000 0.934 264 G HN 0.616 nan 8.290 nan 0.000 0.577 265 N N -0.649 118.060 118.700 0.016 0.000 2.509 265 N HA 0.343 5.083 4.740 0.000 0.000 0.280 265 N C -1.388 174.128 175.510 0.010 0.000 1.306 265 N CA -0.533 52.524 53.050 0.013 0.000 0.782 265 N CB 2.449 40.940 38.487 0.007 0.000 1.493 265 N HN 0.371 nan 8.380 nan 0.000 0.498 266 D N 0.578 120.983 120.400 0.007 0.000 2.433 266 D HA 0.350 4.990 4.640 0.000 0.000 0.255 266 D C 0.209 176.508 176.300 -0.002 0.000 1.226 266 D CA -0.014 53.990 54.000 0.007 0.000 1.015 266 D CB 1.063 41.870 40.800 0.012 0.000 1.091 266 D HN 0.318 nan 8.370 nan 0.000 0.527 267 I N 1.818 122.391 120.570 0.005 0.000 2.396 267 I HA 0.130 4.300 4.170 0.000 0.000 0.289 267 I C -1.954 174.147 176.117 -0.027 0.000 1.056 267 I CA -1.573 59.711 61.300 -0.027 0.000 1.365 267 I CB 0.672 38.660 38.000 -0.020 0.000 1.407 267 I HN -0.005 nan 8.210 nan 0.000 0.509 268 P HA 0.083 nan 4.420 nan 0.000 0.262 268 P C -0.710 176.551 177.300 -0.064 0.000 1.182 268 P CA -0.021 63.048 63.100 -0.053 0.000 0.761 268 P CB 0.421 32.082 31.700 -0.065 0.000 0.795 269 R N 2.534 123.013 120.500 -0.034 0.000 2.668 269 R HA 0.347 4.687 4.340 0.000 0.000 0.279 269 R C 1.086 177.366 176.300 -0.032 0.000 0.976 269 R CA -0.827 55.259 56.100 -0.023 0.000 0.978 269 R CB 1.325 31.633 30.300 0.014 0.000 1.133 269 R HN 0.354 nan 8.270 nan 0.000 0.484 270 R N 0.368 120.850 120.500 -0.030 0.000 2.075 270 R HA 0.077 4.417 4.340 0.000 0.000 0.220 270 R C 0.090 176.387 176.300 -0.004 0.000 1.118 270 R CA 1.363 57.448 56.100 -0.025 0.000 0.986 270 R CB 0.141 30.422 30.300 -0.032 0.000 0.884 270 R HN 0.608 nan 8.270 nan 0.000 0.439 271 D N -1.445 118.963 120.400 0.013 0.000 2.299 271 D HA 0.285 4.925 4.640 0.000 0.000 0.243 271 D C -0.009 176.302 176.300 0.018 0.000 0.982 271 D CA 0.169 54.183 54.000 0.024 0.000 0.924 271 D CB 2.199 43.029 40.800 0.049 0.000 1.238 271 D HN 0.241 nan 8.370 nan 0.000 0.484 272 A N 2.117 124.944 122.820 0.011 0.000 2.066 272 A HA -0.066 4.254 4.320 0.000 0.000 0.218 272 A C 0.784 178.359 177.584 -0.014 0.000 1.157 272 A CA 0.883 52.915 52.037 -0.008 0.000 0.670 272 A CB 0.054 19.047 19.000 -0.011 0.000 0.804 272 A HN 0.489 nan 8.150 nan 0.000 0.453 273 D N -0.528 119.888 120.400 0.026 0.000 2.280 273 D HA 0.294 4.934 4.640 0.000 0.000 0.236 273 D C -0.197 176.166 176.300 0.105 0.000 1.082 273 D CA -0.468 53.565 54.000 0.056 0.000 0.834 273 D CB 0.920 41.781 40.800 0.100 0.000 1.100 273 D HN -0.003 nan 8.370 nan 0.000 0.486 274 D N 2.331 122.770 120.400 0.065 0.000 2.312 274 D HA -0.146 4.494 4.640 0.000 0.000 0.211 274 D C 1.286 177.744 176.300 0.264 0.000 0.964 274 D CA 0.496 54.592 54.000 0.160 0.000 0.877 274 D CB 0.005 40.827 40.800 0.038 0.000 0.924 274 D HN 0.556 nan 8.370 nan 0.000 0.515 275 Y N 1.357 121.737 120.300 0.134 0.000 2.181 275 Y HA -0.222 4.328 4.550 0.000 0.000 0.288 275 Y C 2.253 178.364 175.900 0.352 0.000 1.146 275 Y CA 1.673 59.926 58.100 0.255 0.000 1.164 275 Y CB -0.310 38.294 38.460 0.241 0.000 0.982 275 Y HN -0.128 nan 8.280 nan 0.000 0.515 276 T N 0.728 115.553 114.554 0.451 0.000 2.737 276 T HA -0.158 4.192 4.350 0.000 0.000 0.265 276 T C 1.663 176.499 174.700 0.225 0.000 1.038 276 T CA 1.380 63.666 62.100 0.311 0.000 1.144 276 T CB -0.330 68.668 68.868 0.215 0.000 0.866 276 T HN 0.360 nan 8.240 nan 0.000 0.434 277 N N 0.928 119.747 118.700 0.197 0.000 2.036 277 N HA -0.065 4.675 4.740 0.000 0.000 0.195 277 N C 1.616 177.201 175.510 0.126 0.000 1.037 277 N CA 1.377 54.505 53.050 0.130 0.000 0.855 277 N CB -0.591 37.951 38.487 0.092 0.000 1.033 277 N HN 0.359 nan 8.380 nan 0.000 0.423 278 F N 0.501 120.537 119.950 0.143 0.000 2.206 278 F HA -0.006 4.521 4.527 0.000 0.000 0.298 278 F C 2.160 178.138 175.800 0.296 0.000 1.090 278 F CA 0.174 58.264 58.000 0.150 0.000 1.323 278 F CB -0.351 38.572 39.000 -0.129 0.000 1.028 278 F HN -0.013 nan 8.300 nan 0.000 0.492 279 L N 0.531 122.031 121.223 0.461 0.000 2.056 279 L HA -0.152 4.188 4.340 0.000 0.000 0.207 279 L C 2.116 179.022 176.870 0.059 0.000 1.078 279 L CA 1.858 56.786 54.840 0.145 0.000 0.749 279 L CB -0.698 41.336 42.059 -0.041 0.000 0.901 279 L HN -0.030 nan 8.230 nan 0.000 0.433 280 K N -0.945 119.514 120.400 0.098 0.000 2.097 280 K HA -0.043 4.277 4.320 0.000 0.000 0.205 280 K C 1.990 178.624 176.600 0.055 0.000 1.050 280 K CA 1.096 57.416 56.287 0.054 0.000 0.938 280 K CB -0.217 32.317 32.500 0.057 0.000 0.718 280 K HN 0.440 nan 8.250 nan 0.000 0.442 281 A N 0.668 123.553 122.820 0.107 0.000 2.014 281 A HA 0.083 4.403 4.320 0.000 0.000 0.218 281 A C 1.414 179.075 177.584 0.127 0.000 1.163 281 A CA 1.710 53.817 52.037 0.115 0.000 0.652 281 A CB -0.454 18.669 19.000 0.206 0.000 0.808 281 A HN 0.464 nan 8.150 nan 0.000 0.449 282 G N -0.906 107.965 108.800 0.119 0.000 3.076 282 G HA2 -0.185 3.775 3.960 0.000 0.000 0.256 282 G HA3 -0.185 3.775 3.960 0.000 0.000 0.256 282 G C 0.673 175.689 174.900 0.193 0.000 1.589 282 G CA 0.760 45.892 45.100 0.053 0.000 1.044 282 G HN 1.739 nan 8.290 nan 0.000 0.563 283 S N 1.342 117.232 115.700 0.315 0.000 2.645 283 S HA 0.710 5.180 4.470 0.000 0.000 0.266 283 S C 1.671 176.570 174.600 0.499 0.000 1.258 283 S CA 0.649 59.121 58.200 0.453 0.000 0.990 283 S CB 1.574 65.039 63.200 0.442 0.000 0.967 283 S HN 2.172 nan 8.310 nan 0.000 0.556 284 A N 1.467 124.652 122.820 0.609 0.000 1.930 284 A HA 0.177 4.497 4.320 0.000 0.000 0.217 284 A C 2.145 180.100 177.584 0.618 0.000 1.175 284 A CA 1.464 53.962 52.037 0.769 0.000 0.627 284 A CB -1.713 17.825 19.000 0.896 0.000 0.815 284 A HN 1.138 nan 8.150 nan 0.000 0.443 285 G N -0.938 108.215 108.800 0.590 0.000 2.422 285 G HA2 -0.139 3.821 3.960 0.000 0.000 0.218 285 G HA3 -0.139 3.821 3.960 0.000 0.000 0.218 285 G C 1.861 176.902 174.900 0.235 0.000 1.140 285 G CA 1.419 46.805 45.100 0.477 0.000 0.775 285 G HN 0.583 nan 8.290 nan 0.000 0.545 286 S N -0.507 115.336 115.700 0.239 0.000 2.387 286 S HA -0.037 4.433 4.470 0.000 0.000 0.226 286 S C 2.027 176.645 174.600 0.031 0.000 1.026 286 S CA 1.029 59.306 58.200 0.128 0.000 0.972 286 S CB -0.369 62.925 63.200 0.156 0.000 0.814 286 S HN 0.353 nan 8.310 nan 0.000 0.477 287 F N 2.238 122.140 119.950 -0.079 0.000 2.146 287 F HA 0.095 4.622 4.527 0.000 0.000 0.298 287 F C 2.345 177.845 175.800 -0.501 0.000 1.096 287 F CA 1.243 59.088 58.000 -0.258 0.000 1.275 287 F CB -0.712 38.168 39.000 -0.199 0.000 1.008 287 F HN 0.287 nan 8.300 nan 0.000 0.480 288 A N -0.534 121.957 122.820 -0.549 0.000 1.933 288 A HA -0.175 4.145 4.320 0.000 0.000 0.218 288 A C 2.165 179.442 177.584 -0.511 0.000 1.175 288 A CA 2.271 53.734 52.037 -0.955 0.000 0.628 288 A CB -1.409 16.723 19.000 -1.446 0.000 0.814 288 A HN 0.437 nan 8.150 nan 0.000 0.444 289 T N -0.106 114.286 114.554 -0.270 0.000 2.708 289 T HA -0.171 4.179 4.350 0.000 0.000 0.266 289 T C 2.053 176.627 174.700 -0.210 0.000 1.037 289 T CA 1.807 63.814 62.100 -0.156 0.000 1.146 289 T CB -0.257 68.570 68.868 -0.067 0.000 0.865 289 T HN 0.629 nan 8.240 nan 0.000 0.435 290 Q N 0.309 119.940 119.800 -0.281 0.000 2.224 290 Q HA 0.085 4.425 4.340 0.000 0.000 0.203 290 Q C 2.420 178.190 176.000 -0.382 0.000 0.970 290 Q CA 1.132 56.749 55.803 -0.310 0.000 0.865 290 Q CB -0.160 28.366 28.738 -0.353 0.000 0.922 290 Q HN 0.523 nan 8.270 nan 0.000 0.445 291 A N -0.332 122.184 122.820 -0.508 0.000 2.123 291 A HA 0.244 4.564 4.320 0.000 0.000 0.214 291 A C 1.541 178.961 177.584 -0.274 0.000 1.152 291 A CA 0.908 52.663 52.037 -0.470 0.000 0.728 291 A CB -0.169 18.468 19.000 -0.606 0.000 0.814 291 A HN 0.439 nan 8.150 nan 0.000 0.464 292 G N -1.448 107.224 108.800 -0.213 0.000 2.131 292 G HA2 -0.211 3.749 3.960 0.000 0.000 0.223 292 G HA3 -0.211 3.749 3.960 0.000 0.000 0.223 292 G C 0.626 175.543 174.900 0.028 0.000 0.990 292 G CA 0.341 45.401 45.100 -0.067 0.000 0.671 292 G HN 0.397 nan 8.290 nan 0.000 0.521 293 L N 0.152 121.294 121.223 -0.135 0.000 2.478 293 L HA 0.110 4.450 4.340 0.000 0.000 0.223 293 L C 2.101 179.131 176.870 0.266 0.000 1.140 293 L CA 0.811 55.589 54.840 -0.104 0.000 0.842 293 L CB -0.081 41.648 42.059 -0.550 0.000 0.953 293 L HN 0.085 nan 8.230 nan 0.000 0.452 294 D N 0.121 120.643 120.400 0.202 0.000 2.309 294 D HA -0.193 4.447 4.640 0.000 0.000 0.212 294 D C 1.968 178.367 176.300 0.166 0.000 0.968 294 D CA 0.864 54.996 54.000 0.221 0.000 0.882 294 D CB 0.097 40.940 40.800 0.072 0.000 0.918 294 D HN 0.572 nan 8.370 nan 0.000 0.503 295 Q N -0.634 119.283 119.800 0.196 0.000 2.360 295 Q HA -0.042 4.298 4.340 0.000 0.000 0.202 295 Q C -0.236 175.798 176.000 0.058 0.000 0.915 295 Q CA -0.054 55.800 55.803 0.085 0.000 0.943 295 Q CB -0.089 28.655 28.738 0.010 0.000 1.064 295 Q HN 0.260 nan 8.270 nan 0.000 0.511 296 Y N 1.718 122.066 120.300 0.080 0.000 2.383 296 Y HA 0.233 4.783 4.550 0.000 0.000 0.344 296 Y C -1.557 174.391 175.900 0.081 0.000 0.986 296 Y CA -2.498 55.658 58.100 0.094 0.000 1.175 296 Y CB 1.452 39.994 38.460 0.138 0.000 1.152 296 Y HN 0.045 nan 8.280 nan 0.000 0.511 297 P HA -0.271 nan 4.420 nan 0.000 0.216 297 P C 1.565 178.909 177.300 0.074 0.000 1.153 297 P CA 1.458 64.597 63.100 0.065 0.000 0.858 297 P CB 0.051 31.779 31.700 0.046 0.000 0.789 298 F N -0.960 118.980 119.950 -0.017 0.000 2.171 298 F HA -0.132 4.395 4.527 0.000 0.000 0.300 298 F C 2.248 177.980 175.800 -0.114 0.000 1.090 298 F CA 1.159 59.097 58.000 -0.103 0.000 1.293 298 F CB -0.837 38.039 39.000 -0.206 0.000 1.013 298 F HN 0.009 nan 8.300 nan 0.000 0.486 299 W N 1.246 122.375 121.300 -0.284 0.000 2.388 299 W HA -0.200 4.460 4.660 0.000 0.000 0.294 299 W C 1.919 178.305 176.519 -0.221 0.000 1.212 299 W CA 1.409 58.583 57.345 -0.285 0.000 1.271 299 W CB -0.372 29.052 29.460 -0.060 0.000 1.126 299 W HN 0.155 nan 8.180 nan 0.000 0.535 300 Q N 0.244 119.843 119.800 -0.336 0.000 2.124 300 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 300 Q C 2.350 178.077 176.000 -0.455 0.000 0.977 300 Q CA 1.807 57.356 55.803 -0.424 0.000 0.850 300 Q CB -0.258 28.354 28.738 -0.210 0.000 0.901 300 Q HN 0.313 nan 8.270 nan 0.000 0.429 301 R N 0.029 120.258 120.500 -0.450 0.000 2.073 301 R HA -0.036 4.304 4.340 0.000 0.000 0.229 301 R C 2.283 178.221 176.300 -0.603 0.000 1.120 301 R CA 1.241 57.002 56.100 -0.564 0.000 0.967 301 R CB -0.302 29.637 30.300 -0.602 0.000 0.862 301 R HN 0.317 nan 8.270 nan 0.000 0.436 302 M N 0.332 119.589 119.600 -0.571 0.000 2.086 302 M HA -0.205 4.275 4.480 0.000 0.000 0.261 302 M C 2.409 178.605 176.300 -0.174 0.000 1.067 302 M CA 1.731 56.939 55.300 -0.154 0.000 1.116 302 M CB -0.336 32.221 32.600 -0.073 0.000 1.348 302 M HN 0.200 nan 8.290 nan 0.000 0.407 303 H N 0.086 118.616 119.070 -0.900 0.000 2.387 303 H HA -0.089 4.467 4.556 0.000 0.000 0.299 303 H C 1.577 176.683 175.328 -0.371 0.000 1.099 303 H CA 1.846 57.316 56.048 -0.962 0.000 1.315 303 H CB 0.078 28.958 29.762 -1.469 0.000 1.380 303 H HN 0.547 nan 8.280 nan 0.000 0.513 304 A N 0.324 122.892 122.820 -0.420 0.000 2.167 304 A HA -0.037 4.283 4.320 0.000 0.000 0.214 304 A C 0.375 177.583 177.584 -0.627 0.000 1.151 304 A CA 0.346 52.077 52.037 -0.509 0.000 0.735 304 A CB -0.072 18.580 19.000 -0.581 0.000 0.802 304 A HN 0.482 nan 8.150 nan 0.000 0.467 305 H N -0.579 118.433 119.070 -0.097 0.000 2.336 305 H HA 0.188 4.744 4.556 0.000 0.000 0.230 305 H C -2.117 173.489 175.328 0.464 0.000 1.426 305 H CA -1.402 54.708 56.048 0.103 0.000 1.359 305 H CB 0.684 30.401 29.762 -0.074 0.000 1.555 305 H HN 0.342 nan 8.280 nan 0.000 0.512 306 P HA -0.014 nan 4.420 nan 0.000 0.222 306 P C 0.775 178.331 177.300 0.426 0.000 1.153 306 P CA 0.534 63.882 63.100 0.414 0.000 0.798 306 P CB 0.714 32.536 31.700 0.204 0.000 0.796 307 A N -0.606 122.444 122.820 0.384 0.000 2.256 307 A HA 0.301 4.621 4.320 0.000 0.000 0.318 307 A C -0.577 176.875 177.584 -0.221 0.000 1.103 307 A CA -0.547 51.636 52.037 0.243 0.000 0.860 307 A CB -0.184 19.011 19.000 0.325 0.000 1.182 307 A HN 0.005 nan 8.150 nan 0.000 0.501 308 Y N 2.149 121.781 120.300 -1.114 0.000 2.889 308 Y HA 0.154 4.704 4.550 0.000 0.000 0.367 308 Y C 0.283 175.927 175.900 -0.426 0.000 1.197 308 Y CA -0.970 56.334 58.100 -1.326 0.000 1.993 308 Y CB -1.088 36.319 38.460 -1.755 0.000 2.112 308 Y HN 0.774 nan 8.280 nan 0.000 0.413 309 D N -0.243 120.028 120.400 -0.215 0.000 2.453 309 D HA 0.234 4.874 4.640 0.000 0.000 0.282 309 D C 1.590 177.740 176.300 -0.250 0.000 1.222 309 D CA 0.120 54.033 54.000 -0.145 0.000 1.079 309 D CB -0.077 40.739 40.800 0.027 0.000 1.128 309 D HN 0.173 nan 8.370 nan 0.000 0.568 310 A N -0.970 121.749 122.820 -0.169 0.000 1.978 310 A HA -0.134 4.186 4.320 0.000 0.000 0.220 310 A C 1.994 179.426 177.584 -0.253 0.000 1.170 310 A CA 1.415 53.339 52.037 -0.189 0.000 0.636 310 A CB -1.256 17.676 19.000 -0.113 0.000 0.810 310 A HN 0.530 nan 8.150 nan 0.000 0.448 311 F N -1.061 118.573 119.950 -0.527 0.000 2.134 311 F HA -0.166 4.361 4.527 0.000 0.000 0.299 311 F C 1.827 177.244 175.800 -0.637 0.000 1.097 311 F CA 1.684 59.234 58.000 -0.749 0.000 1.264 311 F CB -0.341 37.804 39.000 -1.425 0.000 1.001 311 F HN 0.415 nan 8.300 nan 0.000 0.479 312 W N 0.032 121.109 121.300 -0.371 0.000 2.576 312 W HA 0.050 4.710 4.660 0.000 0.000 0.275 312 W C 2.481 178.713 176.519 -0.479 0.000 1.241 312 W CA 0.382 57.502 57.345 -0.375 0.000 1.328 312 W CB -0.566 28.738 29.460 -0.260 0.000 1.092 312 W HN -0.079 nan 8.180 nan 0.000 0.586 313 Q N -0.027 119.472 119.800 -0.501 0.000 2.124 313 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 313 Q C 2.351 178.237 176.000 -0.190 0.000 0.977 313 Q CA 1.449 56.975 55.803 -0.461 0.000 0.850 313 Q CB -0.679 27.783 28.738 -0.461 0.000 0.901 313 Q HN 0.374 nan 8.270 nan 0.000 0.429 314 G N -0.007 108.673 108.800 -0.201 0.000 2.776 314 G HA2 -0.173 3.787 3.960 0.000 0.000 0.209 314 G HA3 -0.173 3.787 3.960 0.000 0.000 0.209 314 G C 0.904 175.748 174.900 -0.093 0.000 1.145 314 G CA 0.108 45.125 45.100 -0.138 0.000 0.791 314 G HN 0.285 nan 8.290 nan 0.000 0.530 315 Q N -0.608 119.152 119.800 -0.067 0.000 2.189 315 Q HA 0.333 4.673 4.340 0.000 0.000 0.223 315 Q C 0.815 176.913 176.000 0.163 0.000 0.828 315 Q CA -0.335 55.497 55.803 0.048 0.000 0.967 315 Q CB 1.217 29.973 28.738 0.030 0.000 1.139 315 Q HN 0.313 nan 8.270 nan 0.000 0.497 316 A N 1.523 124.427 122.820 0.140 0.000 2.666 316 A HA 0.158 4.478 4.320 0.000 0.000 0.301 316 A C 1.027 178.719 177.584 0.180 0.000 1.470 316 A CA -0.035 52.119 52.037 0.195 0.000 1.159 316 A CB -0.345 18.781 19.000 0.210 0.000 1.116 316 A HN 0.379 nan 8.150 nan 0.000 0.548 317 L N 1.160 122.508 121.223 0.209 0.000 2.191 317 L HA -0.172 4.168 4.340 0.000 0.000 0.212 317 L C 2.194 179.170 176.870 0.176 0.000 1.103 317 L CA 1.401 56.358 54.840 0.195 0.000 0.769 317 L CB -0.546 41.652 42.059 0.232 0.000 0.908 317 L HN 0.797 nan 8.230 nan 0.000 0.438 318 D N 0.367 120.876 120.400 0.183 0.000 2.117 318 D HA -0.206 4.434 4.640 0.000 0.000 0.197 318 D C 1.774 178.141 176.300 0.111 0.000 0.987 318 D CA 1.232 55.310 54.000 0.129 0.000 0.829 318 D CB -0.279 40.617 40.800 0.160 0.000 0.961 318 D HN 0.267 nan 8.370 nan 0.000 0.460 319 K N 0.320 120.800 120.400 0.134 0.000 2.076 319 K HA 0.073 4.393 4.320 0.000 0.000 0.204 319 K C 2.599 179.252 176.600 0.090 0.000 1.051 319 K CA 0.322 56.675 56.287 0.109 0.000 0.949 319 K CB -0.059 32.514 32.500 0.122 0.000 0.726 319 K HN 0.288 nan 8.250 nan 0.000 0.443 320 I N 1.229 121.857 120.570 0.097 0.000 2.179 320 I HA -0.268 3.902 4.170 0.000 0.000 0.242 320 I C 2.413 178.583 176.117 0.089 0.000 1.088 320 I CA 0.677 62.028 61.300 0.085 0.000 1.357 320 I CB -0.255 37.797 38.000 0.086 0.000 1.051 320 I HN 0.007 nan 8.210 nan 0.000 0.409 321 L N 1.251 122.539 121.223 0.110 0.000 2.083 321 L HA -0.133 4.207 4.340 0.000 0.000 0.209 321 L C 2.514 179.445 176.870 0.101 0.000 1.083 321 L CA 2.065 56.979 54.840 0.124 0.000 0.752 321 L CB -0.831 41.338 42.059 0.183 0.000 0.899 321 L HN 0.196 nan 8.230 nan 0.000 0.433 322 A N -1.317 121.549 122.820 0.078 0.000 2.019 322 A HA -0.237 4.083 4.320 0.000 0.000 0.219 322 A C 2.170 179.783 177.584 0.048 0.000 1.164 322 A CA 1.717 53.785 52.037 0.051 0.000 0.644 322 A CB -0.487 18.529 19.000 0.027 0.000 0.805 322 A HN 0.674 nan 8.150 nan 0.000 0.449 323 Q N -1.103 118.730 119.800 0.054 0.000 2.311 323 Q HA -0.004 4.336 4.340 0.000 0.000 0.203 323 Q C 1.784 177.813 176.000 0.049 0.000 0.954 323 Q CA 0.441 56.272 55.803 0.047 0.000 0.885 323 Q CB 0.069 28.835 28.738 0.047 0.000 0.963 323 Q HN 0.423 nan 8.270 nan 0.000 0.471 324 R N 0.896 121.432 120.500 0.059 0.000 2.240 324 R HA 0.054 4.394 4.340 0.000 0.000 0.203 324 R C 0.048 176.382 176.300 0.057 0.000 1.011 324 R CA 0.275 56.411 56.100 0.060 0.000 1.007 324 R CB -0.026 30.317 30.300 0.072 0.000 0.911 324 R HN 0.143 nan 8.270 nan 0.000 0.468 325 K N 1.369 121.803 120.400 0.057 0.000 3.974 325 K HA -0.114 4.206 4.320 0.000 0.000 0.280 325 K C -2.224 174.411 176.600 0.058 0.000 0.949 325 K CA 0.232 56.550 56.287 0.052 0.000 0.817 325 K CB -1.069 31.455 32.500 0.040 0.000 1.535 325 K HN 0.277 nan 8.250 nan 0.000 0.444 326 P HA 0.034 nan 4.420 nan 0.000 0.274 326 P C 0.570 177.906 177.300 0.061 0.000 1.237 326 P CA 0.072 63.217 63.100 0.074 0.000 0.793 326 P CB 0.839 32.602 31.700 0.104 0.000 0.977 327 T N -3.342 111.236 114.554 0.039 0.000 3.091 327 T HA 0.187 4.537 4.350 0.000 0.000 0.277 327 T C 0.439 175.128 174.700 -0.017 0.000 0.996 327 T CA -0.203 61.909 62.100 0.020 0.000 0.897 327 T CB -0.308 68.569 68.868 0.015 0.000 1.109 327 T HN 0.090 nan 8.240 nan 0.000 0.534 328 V N 3.892 123.792 119.914 -0.024 0.000 2.488 328 V HA 0.336 4.456 4.120 0.000 0.000 0.277 328 V C -2.297 173.740 176.094 -0.095 0.000 1.046 328 V CA -2.081 60.161 62.300 -0.096 0.000 0.986 328 V CB 0.859 32.631 31.823 -0.084 0.000 0.989 328 V HN 0.213 nan 8.190 nan 0.000 0.475 329 P HA 0.120 nan 4.420 nan 0.000 0.262 329 P C -0.525 176.819 177.300 0.074 0.000 1.182 329 P CA 0.597 63.619 63.100 -0.129 0.000 0.761 329 P CB 0.263 31.550 31.700 -0.689 0.000 0.795 330 M N 3.203 122.944 119.600 0.234 0.000 2.465 330 M HA 0.446 4.926 4.480 0.000 0.000 0.316 330 M C -0.836 175.516 176.300 0.087 0.000 1.121 330 M CA -0.879 54.481 55.300 0.100 0.000 0.934 330 M CB 2.144 34.731 32.600 -0.021 0.000 1.692 330 M HN 0.073 nan 8.290 nan 0.000 0.444 331 L N 3.042 124.223 121.223 -0.071 0.000 2.388 331 L HA 0.539 4.879 4.340 0.000 0.000 0.267 331 L C -2.046 174.701 176.870 -0.205 0.000 0.995 331 L CA -0.042 54.703 54.840 -0.158 0.000 0.864 331 L CB 0.698 42.655 42.059 -0.170 0.000 1.216 331 L HN 0.624 nan 8.230 nan 0.000 0.430 332 W N 4.308 125.593 121.300 -0.024 0.000 2.365 332 W HA 0.609 5.269 4.660 -0.000 0.000 0.316 332 W C 0.471 176.903 176.519 -0.144 0.000 1.164 332 W CA -0.150 57.177 57.345 -0.030 0.000 1.204 332 W CB 0.992 30.479 29.460 0.045 0.000 1.213 332 W HN 0.413 nan 8.180 nan 0.000 0.539 333 E N 3.227 123.492 120.200 0.108 0.000 2.340 333 E HA 0.362 4.712 4.350 0.000 0.000 0.273 333 E C -1.302 175.334 176.600 0.059 0.000 0.891 333 E CA -0.697 55.690 56.400 -0.022 0.000 0.757 333 E CB 2.311 31.917 29.700 -0.157 0.000 1.231 333 E HN 0.684 nan 8.360 nan 0.000 0.439 334 Q N 1.242 121.068 119.800 0.043 0.000 2.578 334 Q HA 0.618 4.958 4.340 0.000 0.000 0.284 334 Q C -0.841 175.214 176.000 0.092 0.000 0.960 334 Q CA -1.099 54.760 55.803 0.093 0.000 0.809 334 Q CB 0.868 29.655 28.738 0.082 0.000 1.462 334 Q HN 0.475 nan 8.270 nan 0.000 0.392 335 G N 1.030 109.924 108.800 0.157 0.000 2.444 335 G HA2 0.373 4.333 3.960 0.000 0.000 0.268 335 G HA3 0.373 4.333 3.960 0.000 0.000 0.268 335 G C 0.321 175.167 174.900 -0.091 0.000 1.203 335 G CA -0.816 44.354 45.100 0.117 0.000 0.835 335 G HN 0.646 nan 8.290 nan 0.000 0.543 336 L N 0.424 121.460 121.223 -0.312 0.000 2.201 336 L HA 0.018 4.358 4.340 0.000 0.000 0.212 336 L C 1.115 177.677 176.870 -0.512 0.000 1.105 336 L CA 0.698 55.224 54.840 -0.523 0.000 0.775 336 L CB 0.036 41.566 42.059 -0.882 0.000 0.913 336 L HN 0.552 nan 8.230 nan 0.000 0.440 337 W N 0.012 121.242 121.300 -0.116 0.000 2.159 337 W HA 0.196 4.856 4.660 -0.000 0.000 0.375 337 W C 0.048 176.509 176.519 -0.097 0.000 0.794 337 W CA -0.947 56.322 57.345 -0.126 0.000 2.716 337 W CB -0.007 29.369 29.460 -0.141 0.000 1.583 337 W HN -0.058 nan 8.180 nan 0.000 0.702 338 D N 2.476 122.944 120.400 0.114 0.000 2.348 338 D HA -0.055 4.585 4.640 0.000 0.000 0.259 338 D C 1.563 177.915 176.300 0.087 0.000 1.296 338 D CA 0.566 54.657 54.000 0.151 0.000 0.931 338 D CB 0.978 41.888 40.800 0.183 0.000 1.067 338 D HN 0.168 nan 8.370 nan 0.000 0.503 339 Q N 2.590 122.390 119.800 -0.001 0.000 2.415 339 Q HA -0.033 4.307 4.340 0.000 0.000 0.206 339 Q C 0.151 176.161 176.000 0.016 0.000 0.946 339 Q CA 0.805 56.529 55.803 -0.131 0.000 0.951 339 Q CB 0.304 28.743 28.738 -0.498 0.000 1.026 339 Q HN 0.588 nan 8.270 nan 0.000 0.510 340 E N -0.166 120.041 120.200 0.012 0.000 2.502 340 E HA 0.122 4.472 4.350 0.000 0.000 0.206 340 E C -0.361 176.205 176.600 -0.057 0.000 0.821 340 E CA 0.069 56.404 56.400 -0.108 0.000 1.354 340 E CB 0.789 30.145 29.700 -0.572 0.000 1.336 340 E HN 0.230 nan 8.360 nan 0.000 0.675 341 D N 0.773 121.218 120.400 0.076 0.000 2.656 341 D HA 0.115 4.755 4.640 0.000 0.000 0.303 341 D C 0.218 176.638 176.300 0.200 0.000 1.199 341 D CA -0.011 54.078 54.000 0.148 0.000 0.797 341 D CB 1.214 42.137 40.800 0.204 0.000 1.170 341 D HN 0.030 nan 8.370 nan 0.000 0.509 342 M N 0.186 119.903 119.600 0.195 0.000 2.349 342 M HA 0.044 4.524 4.480 0.000 0.000 0.266 342 M C 1.559 177.977 176.300 0.198 0.000 1.076 342 M CA 1.095 56.501 55.300 0.176 0.000 1.126 342 M CB 0.170 32.882 32.600 0.187 0.000 1.392 342 M HN 0.391 nan 8.290 nan 0.000 0.440 343 W N 0.264 121.563 121.300 -0.001 0.000 2.444 343 W HA 0.055 4.715 4.660 0.000 0.000 0.308 343 W C 1.746 178.356 176.519 0.152 0.000 1.183 343 W CA 1.610 58.967 57.345 0.021 0.000 1.340 343 W CB -0.969 28.348 29.460 -0.238 0.000 1.138 343 W HN 0.307 nan 8.180 nan 0.000 0.510 344 G N 1.510 110.520 108.800 0.350 0.000 2.875 344 G HA2 -0.434 3.526 3.960 0.000 0.000 0.220 344 G HA3 -0.434 3.526 3.960 0.000 0.000 0.220 344 G C 1.653 176.658 174.900 0.176 0.000 1.293 344 G CA 2.805 48.076 45.100 0.285 0.000 0.789 344 G HN 0.411 nan 8.290 nan 0.000 0.677 345 A N 0.304 123.239 122.820 0.192 0.000 1.873 345 A HA -0.067 4.253 4.320 0.000 0.000 0.218 345 A C 2.523 180.085 177.584 -0.037 0.000 1.193 345 A CA 2.024 54.163 52.037 0.171 0.000 0.629 345 A CB -0.572 18.576 19.000 0.246 0.000 0.826 345 A HN 0.665 nan 8.150 nan 0.000 0.447 346 I N -1.525 119.021 120.570 -0.039 0.000 2.286 346 I HA -0.286 3.884 4.170 0.000 0.000 0.248 346 I C 2.279 178.311 176.117 -0.141 0.000 1.115 346 I CA 2.051 63.304 61.300 -0.079 0.000 1.392 346 I CB -0.139 37.772 38.000 -0.148 0.000 1.065 346 I HN 0.498 nan 8.210 nan 0.000 0.418 347 H N 0.153 119.077 119.070 -0.245 0.000 2.428 347 H HA 0.073 4.629 4.556 0.000 0.000 0.296 347 H C 2.201 177.398 175.328 -0.219 0.000 1.062 347 H CA 1.319 57.191 56.048 -0.294 0.000 1.350 347 H CB -0.144 29.290 29.762 -0.547 0.000 1.403 347 H HN 0.444 nan 8.280 nan 0.000 0.533 348 A N 0.228 122.924 122.820 -0.207 0.000 1.897 348 A HA -0.166 4.154 4.320 0.000 0.000 0.215 348 A C 2.104 179.300 177.584 -0.646 0.000 1.181 348 A CA 1.266 53.032 52.037 -0.452 0.000 0.620 348 A CB -1.082 17.449 19.000 -0.782 0.000 0.821 348 A HN 0.681 nan 8.150 nan 0.000 0.443 349 W N 0.737 121.441 121.300 -0.994 0.000 2.358 349 W HA -0.222 4.438 4.660 0.000 0.000 0.303 349 W C 2.142 178.474 176.519 -0.312 0.000 1.208 349 W CA 2.133 59.021 57.345 -0.761 0.000 1.274 349 W CB -0.206 28.921 29.460 -0.555 0.000 1.138 349 W HN 0.389 nan 8.180 nan 0.000 0.515 350 Q N 0.908 120.521 119.800 -0.311 0.000 2.119 350 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 350 Q C 2.227 178.001 176.000 -0.377 0.000 0.972 350 Q CA 2.538 58.043 55.803 -0.497 0.000 0.847 350 Q CB -0.818 27.797 28.738 -0.205 0.000 0.903 350 Q HN 0.292 nan 8.270 nan 0.000 0.433 351 A N -0.027 122.650 122.820 -0.239 0.000 1.930 351 A HA -0.097 4.223 4.320 0.000 0.000 0.217 351 A C 2.050 179.542 177.584 -0.154 0.000 1.175 351 A CA 1.275 53.228 52.037 -0.140 0.000 0.627 351 A CB -0.642 18.324 19.000 -0.056 0.000 0.815 351 A HN 0.448 nan 8.150 nan 0.000 0.443 352 L N -0.885 120.216 121.223 -0.203 0.000 2.109 352 L HA -0.123 4.217 4.340 0.000 0.000 0.207 352 L C 2.588 179.344 176.870 -0.191 0.000 1.086 352 L CA 1.603 56.362 54.840 -0.135 0.000 0.760 352 L CB -0.306 41.719 42.059 -0.057 0.000 0.910 352 L HN 0.407 nan 8.230 nan 0.000 0.437 353 K N 0.021 120.195 120.400 -0.377 0.000 2.097 353 K HA -0.181 4.139 4.320 0.000 0.000 0.205 353 K C 1.510 177.970 176.600 -0.233 0.000 1.050 353 K CA 1.478 57.538 56.287 -0.380 0.000 0.938 353 K CB 0.088 32.166 32.500 -0.704 0.000 0.718 353 K HN 0.216 nan 8.250 nan 0.000 0.442 354 D N 0.144 120.414 120.400 -0.217 0.000 2.219 354 D HA -0.085 4.555 4.640 0.000 0.000 0.205 354 D C 1.254 177.507 176.300 -0.079 0.000 0.970 354 D CA 0.963 54.885 54.000 -0.131 0.000 0.851 354 D CB 0.076 40.810 40.800 -0.110 0.000 0.943 354 D HN 0.285 nan 8.370 nan 0.000 0.488 355 A N 0.284 123.060 122.820 -0.073 0.000 2.278 355 A HA 0.033 4.353 4.320 0.000 0.000 0.212 355 A C 0.287 177.856 177.584 -0.025 0.000 1.213 355 A CA 0.201 52.217 52.037 -0.034 0.000 0.840 355 A CB -0.008 18.981 19.000 -0.017 0.000 0.866 355 A HN 0.017 nan 8.150 nan 0.000 0.489 356 D N -0.980 119.396 120.400 -0.041 0.000 2.705 356 D HA -0.144 4.496 4.640 0.000 0.000 0.240 356 D C -0.047 176.253 176.300 -0.000 0.000 1.137 356 D CA 0.889 54.876 54.000 -0.022 0.000 0.677 356 D CB -1.778 39.017 40.800 -0.009 0.000 1.049 356 D HN 0.398 nan 8.370 nan 0.000 0.427 357 V N 1.521 121.434 119.914 -0.002 0.000 2.617 357 V HA -0.044 4.076 4.120 0.000 0.000 0.304 357 V C 0.903 177.026 176.094 0.047 0.000 1.040 357 V CA 0.404 62.723 62.300 0.031 0.000 1.149 357 V CB 0.703 32.557 31.823 0.051 0.000 0.914 357 V HN 0.135 nan 8.190 nan 0.000 0.487 358 K N 6.318 126.748 120.400 0.051 0.000 3.001 358 K HA 0.590 4.910 4.320 0.000 0.000 0.257 358 K C -0.183 176.456 176.600 0.065 0.000 1.290 358 K CA 0.406 56.726 56.287 0.055 0.000 1.252 358 K CB 0.207 32.734 32.500 0.044 0.000 1.656 358 K HN 0.802 nan 8.250 nan 0.000 0.351 359 A N 0.921 123.792 122.820 0.085 0.000 2.599 359 A HA 0.516 4.836 4.320 0.000 0.000 0.294 359 A C -2.944 174.729 177.584 0.149 0.000 1.055 359 A CA -1.304 50.790 52.037 0.095 0.000 0.683 359 A CB 0.965 20.006 19.000 0.068 0.000 1.278 359 A HN 0.035 nan 8.150 nan 0.000 0.412 360 P HA 0.204 nan 4.420 nan 0.000 0.262 360 P C -0.742 176.736 177.300 0.296 0.000 1.182 360 P CA 0.699 63.967 63.100 0.280 0.000 0.761 360 P CB 0.228 32.179 31.700 0.419 0.000 0.795 361 N N 1.701 120.590 118.700 0.314 0.000 2.675 361 N HA 0.206 4.946 4.740 0.000 0.000 0.254 361 N C -1.479 174.380 175.510 0.582 0.000 1.224 361 N CA -0.261 53.051 53.050 0.435 0.000 0.777 361 N CB 0.589 39.269 38.487 0.321 0.000 1.256 361 N HN 0.059 nan 8.380 nan 0.000 0.531 362 T N 2.022 116.826 114.554 0.417 0.000 2.855 362 T HA 0.473 4.823 4.350 0.000 0.000 0.281 362 T C -0.747 173.954 174.700 0.002 0.000 1.007 362 T CA -0.422 61.806 62.100 0.215 0.000 1.009 362 T CB 1.198 70.045 68.868 -0.035 0.000 0.983 362 T HN 0.327 nan 8.240 nan 0.000 0.455 363 L N 4.387 125.323 121.223 -0.478 0.000 2.307 363 L HA 0.760 5.100 4.340 0.000 0.000 0.284 363 L C -1.171 175.384 176.870 -0.524 0.000 1.023 363 L CA -0.400 54.012 54.840 -0.712 0.000 0.810 363 L CB 1.185 42.281 42.059 -1.605 0.000 1.231 363 L HN 0.420 nan 8.230 nan 0.000 0.423 364 V N 6.520 126.207 119.914 -0.380 0.000 2.487 364 V HA 0.555 4.675 4.120 0.000 0.000 0.298 364 V C -0.219 175.671 176.094 -0.341 0.000 1.028 364 V CA -0.420 61.653 62.300 -0.378 0.000 0.860 364 V CB 1.693 33.261 31.823 -0.424 0.000 0.991 364 V HN 0.799 nan 8.190 nan 0.000 0.427 365 M N 4.007 123.387 119.600 -0.368 0.000 2.151 365 M HA 0.581 5.061 4.480 0.000 0.000 0.290 365 M C 0.217 176.134 176.300 -0.638 0.000 0.965 365 M CA -0.192 54.854 55.300 -0.423 0.000 0.930 365 M CB 2.100 34.440 32.600 -0.434 0.000 1.560 365 M HN 0.773 nan 8.290 nan 0.000 0.438 366 G N 2.251 110.310 108.800 -1.234 0.000 2.601 366 G HA2 0.721 4.681 3.960 0.000 0.000 0.317 366 G HA3 0.721 4.681 3.960 0.000 0.000 0.317 366 G C -2.742 171.111 174.900 -1.745 0.000 1.246 366 G CA -1.343 42.493 45.100 -2.107 0.000 1.012 366 G HN 0.414 nan 8.290 nan 0.000 0.494 367 P HA 0.171 nan 4.420 nan 0.000 0.220 367 P C -0.956 175.975 177.300 -0.615 0.000 1.806 367 P CA -0.089 62.306 63.100 -1.175 0.000 0.976 367 P CB -0.136 30.347 31.700 -2.028 0.000 1.952 368 W N 1.880 123.125 121.300 -0.091 0.000 2.820 368 W HA 0.434 5.094 4.660 -0.000 0.000 0.350 368 W C 0.698 177.287 176.519 0.116 0.000 1.116 368 W CA -0.815 56.544 57.345 0.024 0.000 1.146 368 W CB 0.746 30.195 29.460 -0.018 0.000 1.433 368 W HN 0.040 nan 8.180 nan 0.000 0.561 369 R N -0.292 120.418 120.500 0.350 0.000 2.527 369 R HA 0.367 4.707 4.340 0.000 0.000 0.243 369 R C -0.105 176.340 176.300 0.242 0.000 1.206 369 R CA -0.775 55.462 56.100 0.228 0.000 1.134 369 R CB -0.284 30.087 30.300 0.119 0.000 1.347 369 R HN 0.369 nan 8.270 nan 0.000 0.580 370 H N 0.037 119.177 119.070 0.115 0.000 3.157 370 H HA 0.017 4.573 4.556 0.000 0.000 0.299 370 H C -0.272 175.157 175.328 0.168 0.000 0.961 370 H CA 1.570 57.702 56.048 0.139 0.000 1.428 370 H CB 0.051 29.892 29.762 0.132 0.000 1.459 370 H HN 0.709 nan 8.280 nan 0.000 0.566 371 S N 1.849 117.351 115.700 -0.329 0.000 3.127 371 S HA -0.241 4.229 4.470 0.000 0.000 0.281 371 S C 1.865 176.491 174.600 0.045 0.000 1.293 371 S CA 0.913 58.998 58.200 -0.191 0.000 1.156 371 S CB -1.671 61.411 63.200 -0.197 0.000 1.389 371 S HN 1.032 nan 8.310 nan 0.000 0.672 372 G N 0.460 109.298 108.800 0.062 0.000 2.479 372 G HA2 -0.108 3.852 3.960 0.000 0.000 0.220 372 G HA3 -0.108 3.852 3.960 0.000 0.000 0.220 372 G C 1.224 175.898 174.900 -0.376 0.000 1.115 372 G CA 0.987 46.116 45.100 0.048 0.000 0.757 372 G HN 0.694 nan 8.290 nan 0.000 0.560 373 V N 0.995 120.524 119.914 -0.642 0.000 2.720 373 V HA -0.083 4.037 4.120 0.000 0.000 0.256 373 V C 1.622 177.413 176.094 -0.504 0.000 1.082 373 V CA 1.708 63.392 62.300 -1.028 0.000 1.101 373 V CB -0.293 31.055 31.823 -0.793 0.000 0.693 373 V HN 0.343 nan 8.190 nan 0.000 0.479 374 N N -1.277 117.188 118.700 -0.391 0.000 2.268 374 N HA 0.158 4.898 4.740 0.000 0.000 0.204 374 N C -0.270 174.753 175.510 -0.812 0.000 1.124 374 N CA 0.240 52.975 53.050 -0.524 0.000 0.838 374 N CB 0.368 38.510 38.487 -0.575 0.000 0.994 374 N HN 0.619 nan 8.380 nan 0.000 0.489 375 Y N -0.636 119.592 120.300 -0.120 0.000 3.284 375 Y HA 0.305 4.855 4.550 0.000 0.000 0.262 375 Y C 0.447 176.318 175.900 -0.048 0.000 2.194 375 Y CA -1.098 56.965 58.100 -0.061 0.000 0.905 375 Y CB 0.177 38.612 38.460 -0.041 0.000 1.600 375 Y HN -0.233 nan 8.280 nan 0.000 0.532 376 N N 0.508 119.324 118.700 0.193 0.000 2.425 376 N HA 0.249 4.989 4.740 0.000 0.000 0.268 376 N C -0.228 175.380 175.510 0.162 0.000 0.991 376 N CA 0.062 53.194 53.050 0.136 0.000 0.931 376 N CB 1.558 40.113 38.487 0.113 0.000 1.130 376 N HN 0.850 nan 8.380 nan 0.000 0.493 377 G N 1.669 110.595 108.800 0.210 0.000 3.820 377 G HA2 0.052 4.012 3.960 0.000 0.000 0.293 377 G HA3 0.052 4.012 3.960 0.000 0.000 0.293 377 G C 0.734 175.867 174.900 0.388 0.000 1.152 377 G CA -0.257 45.065 45.100 0.370 0.000 0.921 377 G HN 0.537 nan 8.290 nan 0.000 0.544 378 S N -0.100 115.769 115.700 0.283 0.000 2.414 378 S HA 0.068 4.538 4.470 0.000 0.000 0.227 378 S C 1.491 176.207 174.600 0.192 0.000 1.022 378 S CA 1.090 59.431 58.200 0.235 0.000 0.958 378 S CB 0.196 63.472 63.200 0.127 0.000 0.797 378 S HN 0.707 nan 8.310 nan 0.000 0.493 379 T N -0.973 113.682 114.554 0.168 0.000 2.812 379 T HA 0.726 5.076 4.350 0.000 0.000 0.294 379 T C -1.600 173.167 174.700 0.110 0.000 1.159 379 T CA -0.810 61.258 62.100 -0.052 0.000 1.008 379 T CB 1.872 70.679 68.868 -0.102 0.000 1.289 379 T HN -0.039 nan 8.240 nan 0.000 0.514 380 L N 1.006 122.188 121.223 -0.068 0.000 2.753 380 L HA 0.603 4.943 4.340 0.000 0.000 0.259 380 L C 0.566 177.325 176.870 -0.184 0.000 0.958 380 L CA 1.459 56.288 54.840 -0.018 0.000 0.955 380 L CB 0.832 42.972 42.059 0.136 0.000 1.317 380 L HN 1.591 nan 8.230 nan 0.000 0.436 381 G N 5.651 114.368 108.800 -0.139 0.000 2.591 381 G HA2 -0.270 3.690 3.960 0.000 0.000 0.298 381 G HA3 -0.270 3.690 3.960 0.000 0.000 0.298 381 G C -1.684 173.112 174.900 -0.174 0.000 1.195 381 G CA 0.267 45.279 45.100 -0.146 0.000 0.989 381 G HN 0.607 nan 8.290 nan 0.000 0.551 382 P HA 0.277 nan 4.420 nan 0.000 0.251 382 P C 0.832 177.929 177.300 -0.339 0.000 1.223 382 P CA 0.217 63.169 63.100 -0.246 0.000 0.796 382 P CB 0.044 31.582 31.700 -0.270 0.000 1.068 383 L N 0.458 121.427 121.223 -0.423 0.000 2.417 383 L HA 0.261 4.601 4.340 0.000 0.000 0.268 383 L C 0.514 176.935 176.870 -0.749 0.000 1.158 383 L CA -0.009 54.486 54.840 -0.574 0.000 0.819 383 L CB 0.296 41.972 42.059 -0.638 0.000 1.112 383 L HN -0.128 nan 8.230 nan 0.000 0.458 384 E N 1.758 121.510 120.200 -0.747 0.000 2.224 384 E HA 0.506 4.856 4.350 0.000 0.000 0.265 384 E C -1.374 174.858 176.600 -0.614 0.000 0.878 384 E CA -0.495 55.532 56.400 -0.621 0.000 0.759 384 E CB 1.904 31.436 29.700 -0.280 0.000 1.164 384 E HN 0.200 nan 8.360 nan 0.000 0.414 385 F N 0.493 120.438 119.950 -0.009 0.000 2.518 385 F HA 0.312 4.839 4.527 -0.000 0.000 0.338 385 F C 0.924 176.759 175.800 0.058 0.000 1.065 385 F CA -1.094 56.914 58.000 0.013 0.000 1.012 385 F CB 0.728 39.626 39.000 -0.169 0.000 1.297 385 F HN 0.206 nan 8.300 nan 0.000 0.489 386 E N 1.794 122.200 120.200 0.344 0.000 1.814 386 E HA 0.387 4.737 4.350 0.000 0.000 0.264 386 E C 0.559 177.298 176.600 0.232 0.000 1.179 386 E CA 0.213 56.757 56.400 0.239 0.000 0.972 386 E CB -0.178 29.656 29.700 0.223 0.000 1.077 386 E HN 0.788 nan 8.360 nan 0.000 0.417 387 G N 3.169 112.082 108.800 0.189 0.000 2.760 387 G HA2 -0.254 3.706 3.960 0.000 0.000 0.246 387 G HA3 -0.254 3.706 3.960 0.000 0.000 0.246 387 G C -0.405 174.628 174.900 0.221 0.000 1.359 387 G CA -0.579 44.633 45.100 0.187 0.000 0.861 387 G HN 0.488 nan 8.290 nan 0.000 0.541 388 D N 0.942 121.474 120.400 0.221 0.000 2.441 388 D HA 0.331 4.971 4.640 0.000 0.000 0.243 388 D C 2.196 178.706 176.300 0.350 0.000 1.257 388 D CA 0.849 55.000 54.000 0.252 0.000 1.027 388 D CB -0.059 40.863 40.800 0.203 0.000 1.084 388 D HN 0.754 nan 8.370 nan 0.000 0.514 389 T N 0.586 115.372 114.554 0.386 0.000 2.803 389 T HA -0.170 4.180 4.350 0.000 0.000 0.269 389 T C 1.821 176.999 174.700 0.796 0.000 1.052 389 T CA 1.031 63.470 62.100 0.565 0.000 1.136 389 T CB -0.057 68.904 68.868 0.154 0.000 0.864 389 T HN 0.249 nan 8.240 nan 0.000 0.467 390 A N 1.391 124.546 122.820 0.558 0.000 1.873 390 A HA -0.059 4.261 4.320 0.000 0.000 0.215 390 A C 2.226 179.930 177.584 0.199 0.000 1.186 390 A CA 1.879 54.010 52.037 0.156 0.000 0.616 390 A CB -1.231 17.615 19.000 -0.256 0.000 0.823 390 A HN 0.727 nan 8.150 nan 0.000 0.442 391 H N -0.305 118.836 119.070 0.119 0.000 2.387 391 H HA -0.091 4.465 4.556 0.000 0.000 0.299 391 H C 2.116 177.486 175.328 0.071 0.000 1.090 391 H CA 2.120 58.201 56.048 0.055 0.000 1.332 391 H CB -0.186 29.603 29.762 0.044 0.000 1.386 391 H HN 0.583 nan 8.280 nan 0.000 0.516 392 Q N -0.948 118.941 119.800 0.149 0.000 2.061 392 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 392 Q C 2.041 178.001 176.000 -0.066 0.000 0.984 392 Q CA 1.998 57.847 55.803 0.076 0.000 0.846 392 Q CB -0.384 28.547 28.738 0.321 0.000 0.902 392 Q HN 0.682 nan 8.270 nan 0.000 0.421 393 Y N 0.996 121.252 120.300 -0.074 0.000 2.145 393 Y HA -0.200 4.350 4.550 0.000 0.000 0.286 393 Y C 2.149 177.968 175.900 -0.135 0.000 1.145 393 Y CA 1.429 59.411 58.100 -0.196 0.000 1.148 393 Y CB 0.039 38.492 38.460 -0.011 0.000 0.981 393 Y HN -0.087 nan 8.280 nan 0.000 0.507 394 R N 0.063 120.332 120.500 -0.384 0.000 2.091 394 R HA -0.192 4.148 4.340 0.000 0.000 0.238 394 R C 2.543 178.520 176.300 -0.538 0.000 1.136 394 R CA 1.834 57.661 56.100 -0.455 0.000 0.959 394 R CB -0.389 29.764 30.300 -0.244 0.000 0.856 394 R HN 0.390 nan 8.270 nan 0.000 0.437 395 R N 0.572 120.757 120.500 -0.525 0.000 2.075 395 R HA -0.087 4.253 4.340 0.000 0.000 0.226 395 R C 0.904 177.009 176.300 -0.325 0.000 1.114 395 R CA 1.573 57.390 56.100 -0.472 0.000 0.972 395 R CB 0.161 30.129 30.300 -0.553 0.000 0.869 395 R HN 0.126 nan 8.270 nan 0.000 0.437 396 D N -0.535 119.697 120.400 -0.281 0.000 2.305 396 D HA -0.003 4.637 4.640 0.000 0.000 0.206 396 D C 1.572 177.780 176.300 -0.153 0.000 0.974 396 D CA 0.633 54.524 54.000 -0.182 0.000 0.871 396 D CB 0.697 41.413 40.800 -0.139 0.000 0.947 396 D HN 0.122 nan 8.370 nan 0.000 0.516 397 V N 0.095 119.864 119.914 -0.242 0.000 3.054 397 V HA 0.000 4.120 4.120 0.000 0.000 0.227 397 V C 1.788 177.811 176.094 -0.119 0.000 1.252 397 V CA -0.139 62.063 62.300 -0.164 0.000 1.279 397 V CB -0.167 31.565 31.823 -0.152 0.000 1.118 397 V HN -0.043 nan 8.190 nan 0.000 0.504 398 F N 2.497 122.042 119.950 -0.674 0.000 2.043 398 F HA -0.217 4.310 4.527 0.000 0.000 0.297 398 F C 2.613 178.262 175.800 -0.251 0.000 1.121 398 F CA 2.682 60.361 58.000 -0.535 0.000 1.199 398 F CB -0.643 37.819 39.000 -0.895 0.000 0.968 398 F HN 0.113 nan 8.300 nan 0.000 0.478 399 R N 0.711 120.975 120.500 -0.393 0.000 2.082 399 R HA -0.127 4.213 4.340 0.000 0.000 0.234 399 R C -0.809 175.452 176.300 -0.063 0.000 1.136 399 R CA 2.118 57.919 56.100 -0.499 0.000 0.935 399 R CB -1.889 28.003 30.300 -0.681 0.000 0.842 399 R HN 0.194 nan 8.270 nan 0.000 0.430 400 P HA -0.109 nan 4.420 nan 0.000 0.216 400 P C 1.007 178.412 177.300 0.176 0.000 1.150 400 P CA 1.184 64.316 63.100 0.053 0.000 0.837 400 P CB -0.217 31.497 31.700 0.023 0.000 0.786 401 F N -1.255 118.782 119.950 0.146 0.000 2.102 401 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 401 F C 1.951 178.013 175.800 0.438 0.000 1.105 401 F CA 1.307 59.472 58.000 0.276 0.000 1.239 401 F CB -0.401 38.812 39.000 0.355 0.000 0.991 401 F HN -0.228 nan 8.300 nan 0.000 0.474 402 F N 1.077 121.171 119.950 0.240 0.000 2.186 402 F HA -0.151 4.376 4.527 0.000 0.000 0.299 402 F C 2.230 178.124 175.800 0.156 0.000 1.090 402 F CA 1.408 59.531 58.000 0.204 0.000 1.307 402 F CB -1.018 38.182 39.000 0.333 0.000 1.019 402 F HN -0.037 nan 8.300 nan 0.000 0.489 403 D N -0.092 120.490 120.400 0.303 0.000 2.149 403 D HA -0.201 4.439 4.640 0.000 0.000 0.198 403 D C 2.213 178.488 176.300 -0.041 0.000 0.990 403 D CA 1.161 55.252 54.000 0.152 0.000 0.839 403 D CB -0.360 40.501 40.800 0.101 0.000 0.948 403 D HN 0.386 nan 8.370 nan 0.000 0.460 404 E N -0.717 119.379 120.200 -0.174 0.000 2.085 404 E HA -0.218 4.132 4.350 0.000 0.000 0.194 404 E C 1.283 177.549 176.600 -0.556 0.000 0.994 404 E CA 1.129 57.259 56.400 -0.449 0.000 0.801 404 E CB -0.035 29.222 29.700 -0.738 0.000 0.743 404 E HN 0.445 nan 8.360 nan 0.000 0.453 405 Y N -0.871 119.310 120.300 -0.198 0.000 2.497 405 Y HA 0.183 4.734 4.550 0.000 0.000 0.265 405 Y C 1.756 177.550 175.900 -0.178 0.000 1.111 405 Y CA -0.010 57.962 58.100 -0.213 0.000 1.288 405 Y CB 0.502 38.772 38.460 -0.316 0.000 1.082 405 Y HN 0.000 nan 8.280 nan 0.000 0.536 406 L N -0.568 120.640 121.223 -0.026 0.000 2.515 406 L HA 0.164 4.504 4.340 0.000 0.000 0.223 406 L C 0.099 176.905 176.870 -0.107 0.000 1.079 406 L CA 0.542 55.346 54.840 -0.061 0.000 0.857 406 L CB 0.272 42.328 42.059 -0.004 0.000 1.050 406 L HN -0.125 nan 8.230 nan 0.000 0.476 407 K N 1.120 121.466 120.400 -0.090 0.000 2.540 407 K HA 0.323 4.643 4.320 0.000 0.000 0.218 407 K C -2.484 174.060 176.600 -0.093 0.000 1.017 407 K CA -1.832 54.392 56.287 -0.104 0.000 1.029 407 K CB 1.353 33.798 32.500 -0.090 0.000 1.348 407 K HN -0.222 nan 8.250 nan 0.000 0.508 408 P HA -0.090 nan 4.420 nan 0.000 0.263 408 P C 0.804 178.060 177.300 -0.073 0.000 1.175 408 P CA 1.075 64.127 63.100 -0.081 0.000 0.761 408 P CB 0.682 32.341 31.700 -0.069 0.000 0.794 409 G N 1.396 110.152 108.800 -0.073 0.000 2.194 409 G HA2 -0.217 3.743 3.960 0.000 0.000 0.236 409 G HA3 -0.217 3.743 3.960 0.000 0.000 0.236 409 G C 0.418 175.280 174.900 -0.063 0.000 0.987 409 G CA -0.083 44.980 45.100 -0.060 0.000 0.635 409 G HN 0.580 nan 8.290 nan 0.000 0.520 410 S N 0.802 116.455 115.700 -0.080 0.000 2.592 410 S HA 0.650 5.120 4.470 0.000 0.000 0.271 410 S C 0.913 175.459 174.600 -0.091 0.000 1.326 410 S CA 0.204 58.358 58.200 -0.078 0.000 1.024 410 S CB 1.377 64.528 63.200 -0.082 0.000 0.921 410 S HN 1.586 nan 8.310 nan 0.000 0.527 411 A N 2.449 125.226 122.820 -0.070 0.000 2.498 411 A HA 0.362 4.682 4.320 0.000 0.000 0.239 411 A C 0.550 178.069 177.584 -0.108 0.000 1.068 411 A CA -0.140 51.858 52.037 -0.065 0.000 0.766 411 A CB 0.007 18.985 19.000 -0.036 0.000 1.003 411 A HN 0.647 nan 8.150 nan 0.000 0.497 412 S N -0.247 115.383 115.700 -0.117 0.000 2.565 412 S HA 0.477 4.947 4.470 0.000 0.000 0.274 412 S C 0.140 174.612 174.600 -0.213 0.000 1.309 412 S CA -0.196 57.874 58.200 -0.216 0.000 1.043 412 S CB 0.975 64.042 63.200 -0.223 0.000 0.939 412 S HN 1.294 nan 8.310 nan 0.000 0.504 413 V N 1.659 121.428 119.914 -0.241 0.000 2.581 413 V HA 0.596 4.716 4.120 0.000 0.000 0.303 413 V C -0.776 175.180 176.094 -0.230 0.000 1.041 413 V CA -0.673 61.563 62.300 -0.106 0.000 0.907 413 V CB 1.495 33.375 31.823 0.095 0.000 0.994 413 V HN 0.904 nan 8.190 nan 0.000 0.442 414 H N 5.047 124.202 119.070 0.142 0.000 2.632 414 H HA 0.470 5.026 4.556 0.000 0.000 0.258 414 H C -0.540 174.886 175.328 0.163 0.000 1.278 414 H CA -0.337 55.803 56.048 0.153 0.000 1.352 414 H CB 1.233 31.060 29.762 0.109 0.000 1.418 414 H HN 0.581 nan 8.280 nan 0.000 0.513 415 L N 4.156 125.527 121.223 0.248 0.000 2.417 415 L HA 0.224 4.564 4.340 0.000 0.000 0.268 415 L C -1.382 175.608 176.870 0.199 0.000 1.158 415 L CA -1.573 53.383 54.840 0.193 0.000 0.819 415 L CB 0.424 42.528 42.059 0.076 0.000 1.112 415 L HN 0.325 nan 8.230 nan 0.000 0.458 416 P HA 0.149 nan 4.420 nan 0.000 0.302 416 P C -0.125 177.291 177.300 0.193 0.000 1.307 416 P CA -0.436 62.781 63.100 0.194 0.000 0.754 416 P CB 0.901 32.720 31.700 0.198 0.000 1.298 417 D N -0.949 119.606 120.400 0.259 0.000 2.097 417 D HA 0.042 4.682 4.640 0.000 0.000 0.195 417 D C 0.542 176.976 176.300 0.223 0.000 0.989 417 D CA 1.485 55.720 54.000 0.391 0.000 0.827 417 D CB -0.243 40.863 40.800 0.511 0.000 0.966 417 D HN 0.513 nan 8.370 nan 0.000 0.456 418 A N -0.645 122.193 122.820 0.031 0.000 2.549 418 A HA 0.643 4.963 4.320 0.000 0.000 0.297 418 A C -1.268 176.102 177.584 -0.357 0.000 1.061 418 A CA -0.577 51.269 52.037 -0.318 0.000 0.690 418 A CB 1.312 19.905 19.000 -0.678 0.000 1.287 418 A HN 0.036 nan 8.150 nan 0.000 0.402 419 I N 2.587 122.877 120.570 -0.467 0.000 2.420 419 I HA 0.427 4.597 4.170 0.000 0.000 0.282 419 I C -1.046 174.865 176.117 -0.342 0.000 1.019 419 I CA -0.071 60.906 61.300 -0.539 0.000 1.130 419 I CB 1.089 38.682 38.000 -0.678 0.000 1.262 419 I HN 0.477 nan 8.210 nan 0.000 0.454 420 I N 5.701 126.094 120.570 -0.295 0.000 2.498 420 I HA 0.294 4.464 4.170 0.000 0.000 0.290 420 I C -0.720 175.250 176.117 -0.244 0.000 1.032 420 I CA -0.978 60.160 61.300 -0.270 0.000 1.073 420 I CB 1.971 39.710 38.000 -0.436 0.000 1.251 420 I HN 0.369 nan 8.210 nan 0.000 0.426 421 Y N 5.707 125.610 120.300 -0.662 0.000 2.425 421 Y HA 0.137 4.687 4.550 0.000 0.000 0.331 421 Y C 0.490 176.031 175.900 -0.597 0.000 1.157 421 Y CA 0.192 57.700 58.100 -0.986 0.000 1.372 421 Y CB 0.604 38.130 38.460 -1.557 0.000 1.253 421 Y HN 0.524 nan 8.280 nan 0.000 0.536 422 N N 3.744 121.901 118.700 -0.906 0.000 2.420 422 N HA 0.009 4.749 4.740 0.000 0.000 0.249 422 N C 0.415 175.657 175.510 -0.446 0.000 1.033 422 N CA 0.338 53.067 53.050 -0.535 0.000 0.944 422 N CB 1.111 39.341 38.487 -0.430 0.000 1.113 422 N HN 0.885 nan 8.380 nan 0.000 0.502 423 T N -0.141 114.344 114.554 -0.115 0.000 3.163 423 T HA 0.070 4.420 4.350 0.000 0.000 0.260 423 T C 1.369 176.145 174.700 0.126 0.000 1.156 423 T CA 0.542 62.753 62.100 0.184 0.000 1.072 423 T CB 0.214 69.245 68.868 0.270 0.000 0.937 423 T HN 0.445 nan 8.240 nan 0.000 0.528 424 G N 0.879 109.539 108.800 -0.233 0.000 2.763 424 G HA2 0.085 4.045 3.960 0.000 0.000 0.205 424 G HA3 0.085 4.045 3.960 0.000 0.000 0.205 424 G C 1.132 175.874 174.900 -0.263 0.000 1.137 424 G CA -0.012 44.817 45.100 -0.452 0.000 0.839 424 G HN 0.354 nan 8.290 nan 0.000 0.596 425 D N 0.564 120.805 120.400 -0.265 0.000 2.317 425 D HA 0.053 4.693 4.640 0.000 0.000 0.211 425 D C 0.566 176.735 176.300 -0.218 0.000 0.966 425 D CA 0.408 54.279 54.000 -0.216 0.000 0.876 425 D CB 0.148 40.820 40.800 -0.214 0.000 0.927 425 D HN 0.103 nan 8.370 nan 0.000 0.519 426 Q N -0.493 119.128 119.800 -0.299 0.000 2.464 426 Q HA -0.215 4.125 4.340 0.000 0.000 0.304 426 Q C -0.389 175.347 176.000 -0.440 0.000 1.401 426 Q CA 0.845 56.485 55.803 -0.272 0.000 0.806 426 Q CB -2.145 26.609 28.738 0.026 0.000 1.134 426 Q HN 0.584 nan 8.270 nan 0.000 0.411 427 K N -2.655 117.234 120.400 -0.851 0.000 2.579 427 K HA 0.606 4.926 4.320 0.000 0.000 0.284 427 K C -1.269 174.908 176.600 -0.705 0.000 0.990 427 K CA -1.020 54.933 56.287 -0.556 0.000 0.880 427 K CB 0.827 33.194 32.500 -0.220 0.000 1.488 427 K HN -0.024 nan 8.250 nan 0.000 0.425 428 W N 1.921 123.082 121.300 -0.232 0.000 2.311 428 W HA 0.245 4.905 4.660 -0.000 0.000 0.310 428 W C -0.485 175.933 176.519 -0.168 0.000 1.274 428 W CA 0.169 57.419 57.345 -0.159 0.000 1.215 428 W CB 0.940 30.430 29.460 0.050 0.000 1.227 428 W HN 0.379 nan 8.180 nan 0.000 0.523 429 D N 2.628 122.972 120.400 -0.094 0.000 2.193 429 D HA 0.173 4.813 4.640 0.000 0.000 0.244 429 D C -1.188 174.835 176.300 -0.461 0.000 1.064 429 D CA -0.479 53.306 54.000 -0.357 0.000 0.845 429 D CB 1.107 41.473 40.800 -0.723 0.000 1.148 429 D HN 0.258 nan 8.370 nan 0.000 0.464 430 Y N 1.604 121.624 120.300 -0.467 0.000 2.417 430 Y HA 0.244 4.794 4.550 0.000 0.000 0.336 430 Y C -0.391 175.329 175.900 -0.300 0.000 0.961 430 Y CA -0.792 57.129 58.100 -0.300 0.000 1.215 430 Y CB 0.789 39.169 38.460 -0.132 0.000 1.120 430 Y HN 0.278 nan 8.280 nan 0.000 0.499 431 Y N 3.612 123.945 120.300 0.055 0.000 2.417 431 Y HA 0.260 4.810 4.550 0.000 0.000 0.336 431 Y C 1.472 177.468 175.900 0.159 0.000 0.961 431 Y CA -0.760 57.410 58.100 0.117 0.000 1.215 431 Y CB 1.059 39.597 38.460 0.131 0.000 1.120 431 Y HN 0.628 nan 8.280 nan 0.000 0.499 432 R N 1.386 122.071 120.500 0.308 0.000 2.096 432 R HA -0.143 4.197 4.340 0.000 0.000 0.240 432 R C 0.275 176.732 176.300 0.261 0.000 1.139 432 R CA 1.497 57.743 56.100 0.242 0.000 0.952 432 R CB 0.028 30.438 30.300 0.183 0.000 0.854 432 R HN 0.470 nan 8.270 nan 0.000 0.436 433 S N -0.874 114.991 115.700 0.275 0.000 2.552 433 S HA 0.419 4.889 4.470 0.000 0.000 0.314 433 S C -2.014 172.776 174.600 0.316 0.000 1.099 433 S CA -0.819 57.531 58.200 0.250 0.000 1.070 433 S CB 0.858 64.146 63.200 0.147 0.000 0.998 433 S HN 0.349 nan 8.310 nan 0.000 0.474 434 W N 6.249 127.635 121.300 0.144 0.000 3.274 434 W HA 0.563 5.223 4.660 -0.000 0.000 0.327 434 W C -2.904 173.734 176.519 0.198 0.000 1.172 434 W CA -1.573 55.819 57.345 0.080 0.000 1.217 434 W CB 1.524 31.014 29.460 0.051 0.000 1.376 434 W HN 0.485 nan 8.180 nan 0.000 0.507 435 P HA 0.217 nan 4.420 nan 0.000 0.278 435 P C 0.325 177.314 177.300 -0.519 0.000 1.258 435 P CA -0.158 62.181 63.100 -1.268 0.000 0.811 435 P CB 1.508 32.368 31.700 -1.400 0.000 1.063 436 S N -0.802 114.631 115.700 -0.445 0.000 2.501 436 S HA 0.161 4.631 4.470 0.000 0.000 0.220 436 S C 0.562 175.043 174.600 -0.198 0.000 0.997 436 S CA 0.127 58.197 58.200 -0.217 0.000 0.919 436 S CB -0.719 62.396 63.200 -0.143 0.000 0.778 436 S HN 0.373 nan 8.310 nan 0.000 0.523 437 V N -0.413 119.342 119.914 -0.265 0.000 2.760 437 V HA 0.901 5.021 4.120 0.000 0.000 0.309 437 V C -0.276 175.684 176.094 -0.222 0.000 1.077 437 V CA -0.827 61.356 62.300 -0.194 0.000 0.910 437 V CB 0.392 32.127 31.823 -0.147 0.000 1.008 437 V HN 0.863 nan 8.190 nan 0.000 0.424 438 C N 1.853 121.060 119.300 -0.155 0.000 3.260 438 C HA 0.555 5.015 4.460 0.000 0.000 0.366 438 C C 1.046 175.991 174.990 -0.076 0.000 1.537 438 C CA 0.081 59.017 59.018 -0.137 0.000 1.160 438 C CB 1.160 28.798 27.740 -0.170 0.000 1.760 438 C HN 0.964 nan 8.230 nan 0.000 0.432 439 E N 1.295 121.467 120.200 -0.047 0.000 2.072 439 E HA 0.039 4.389 4.350 0.000 0.000 0.191 439 E C 0.772 177.365 176.600 -0.012 0.000 0.985 439 E CA 1.905 58.302 56.400 -0.006 0.000 0.801 439 E CB 0.009 29.734 29.700 0.042 0.000 0.750 439 E HN 0.877 nan 8.360 nan 0.000 0.452 440 S N -0.979 114.706 115.700 -0.024 0.000 2.541 440 S HA 0.366 4.836 4.470 0.000 0.000 0.271 440 S C -0.425 174.152 174.600 -0.038 0.000 1.133 440 S CA -0.671 57.515 58.200 -0.023 0.000 0.876 440 S CB 1.511 64.705 63.200 -0.010 0.000 1.105 440 S HN 0.309 nan 8.310 nan 0.000 0.470 441 N N -1.076 117.604 118.700 -0.034 0.000 2.776 441 N HA -0.148 4.592 4.740 0.000 0.000 0.250 441 N C -0.467 175.012 175.510 -0.052 0.000 1.112 441 N CA 0.870 53.897 53.050 -0.038 0.000 0.733 441 N CB -2.021 36.443 38.487 -0.038 0.000 1.097 441 N HN 0.684 nan 8.380 nan 0.000 0.558 442 C N -1.282 117.983 119.300 -0.058 0.000 2.630 442 C HA 0.404 4.864 4.460 0.000 0.000 0.346 442 C C 2.336 177.293 174.990 -0.056 0.000 1.245 442 C CA -0.404 58.570 59.018 -0.073 0.000 1.804 442 C CB 1.377 29.052 27.740 -0.109 0.000 2.279 442 C HN 0.452 nan 8.230 nan 0.000 0.498 443 T N 0.813 115.334 114.554 -0.056 0.000 2.759 443 T HA 0.068 4.418 4.350 0.000 0.000 0.269 443 T C 0.711 175.387 174.700 -0.039 0.000 1.042 443 T CA 1.726 63.803 62.100 -0.039 0.000 1.140 443 T CB -0.203 68.645 68.868 -0.033 0.000 0.864 443 T HN 0.925 nan 8.240 nan 0.000 0.455 444 G N -0.866 107.901 108.800 -0.055 0.000 2.680 444 G HA2 0.611 4.571 3.960 0.000 0.000 0.290 444 G HA3 0.611 4.571 3.960 0.000 0.000 0.290 444 G C -0.389 174.478 174.900 -0.055 0.000 1.355 444 G CA -0.368 44.703 45.100 -0.048 0.000 0.903 444 G HN 0.348 nan 8.290 nan 0.000 0.474 445 G N -1.274 107.502 108.800 -0.040 0.000 2.535 445 G HA2 0.559 4.519 3.960 0.000 0.000 0.303 445 G HA3 0.559 4.519 3.960 0.000 0.000 0.303 445 G C -0.053 174.822 174.900 -0.041 0.000 1.237 445 G CA -0.847 44.232 45.100 -0.035 0.000 0.986 445 G HN 0.613 nan 8.290 nan 0.000 0.494 446 L N -0.608 120.595 121.223 -0.034 0.000 2.456 446 L HA 0.372 4.712 4.340 0.000 0.000 0.257 446 L C 0.340 177.201 176.870 -0.015 0.000 1.162 446 L CA -0.280 54.538 54.840 -0.035 0.000 0.808 446 L CB 1.245 43.279 42.059 -0.042 0.000 1.136 446 L HN 0.313 nan 8.230 nan 0.000 0.466 447 T N 1.965 116.518 114.554 -0.002 0.000 2.809 447 T HA 0.344 4.694 4.350 0.000 0.000 0.296 447 T C -2.500 172.223 174.700 0.039 0.000 1.015 447 T CA -1.269 60.853 62.100 0.037 0.000 0.954 447 T CB 1.408 70.299 68.868 0.038 0.000 0.950 447 T HN 0.259 nan 8.240 nan 0.000 0.450 448 P HA 0.258 nan 4.420 nan 0.000 0.271 448 P C -0.833 176.239 177.300 -0.379 0.000 1.220 448 P CA -0.727 62.164 63.100 -0.347 0.000 0.768 448 P CB 0.500 31.790 31.700 -0.684 0.000 0.848 449 L N 5.818 126.764 121.223 -0.462 0.000 2.301 449 L HA 0.395 4.735 4.340 0.000 0.000 0.278 449 L C -1.187 175.387 176.870 -0.493 0.000 1.022 449 L CA -0.857 53.637 54.840 -0.576 0.000 0.854 449 L CB -0.474 41.217 42.059 -0.615 0.000 1.226 449 L HN 0.212 nan 8.230 nan 0.000 0.429 450 Y N 4.126 124.260 120.300 -0.277 0.000 2.336 450 Y HA 0.346 4.896 4.550 0.000 0.000 0.331 450 Y C 0.233 175.976 175.900 -0.261 0.000 1.211 450 Y CA -0.368 57.589 58.100 -0.239 0.000 1.346 450 Y CB 0.671 39.006 38.460 -0.208 0.000 1.271 450 Y HN 0.385 nan 8.280 nan 0.000 0.538 451 L N 2.607 123.753 121.223 -0.128 0.000 2.397 451 L HA 0.497 4.837 4.340 0.000 0.000 0.271 451 L C 0.309 177.058 176.870 -0.202 0.000 1.148 451 L CA 0.339 54.981 54.840 -0.329 0.000 0.825 451 L CB 0.363 42.057 42.059 -0.608 0.000 1.117 451 L HN 0.851 nan 8.230 nan 0.000 0.456 452 A N 2.177 124.850 122.820 -0.244 0.000 2.524 452 A HA 0.484 4.804 4.320 0.000 0.000 0.286 452 A C -0.810 176.464 177.584 -0.517 0.000 1.203 452 A CA -0.685 51.178 52.037 -0.291 0.000 0.736 452 A CB 0.734 19.668 19.000 -0.110 0.000 1.322 452 A HN 0.585 nan 8.150 nan 0.000 0.424 453 D N -0.641 119.548 120.400 -0.352 0.000 2.368 453 D HA 0.379 5.019 4.640 0.000 0.000 0.240 453 D C 1.226 177.450 176.300 -0.127 0.000 1.169 453 D CA 1.817 55.677 54.000 -0.234 0.000 0.906 453 D CB 0.763 41.547 40.800 -0.026 0.000 1.187 453 D HN 1.448 nan 8.370 nan 0.000 0.435 454 G N 2.174 110.928 108.800 -0.076 0.000 2.198 454 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 454 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 454 G C 0.352 175.292 174.900 0.068 0.000 1.025 454 G CA 0.876 45.990 45.100 0.023 0.000 0.769 454 G HN 0.865 nan 8.290 nan 0.000 0.507 455 H N -2.236 116.757 119.070 -0.128 0.000 2.713 455 H HA -0.076 4.480 4.556 0.000 0.000 0.311 455 H C 1.451 176.761 175.328 -0.031 0.000 1.175 455 H CA 2.033 57.938 56.048 -0.238 0.000 1.143 455 H CB -1.303 28.230 29.762 -0.382 0.000 1.434 455 H HN 1.339 nan 8.280 nan 0.000 0.418 456 G N -0.645 108.219 108.800 0.106 0.000 2.601 456 G HA2 0.703 4.663 3.960 0.000 0.000 0.317 456 G HA3 0.703 4.663 3.960 0.000 0.000 0.317 456 G C -0.698 174.239 174.900 0.063 0.000 1.246 456 G CA -0.951 44.191 45.100 0.071 0.000 1.012 456 G HN 0.167 nan 8.290 nan 0.000 0.494 457 L N 0.264 121.476 121.223 -0.017 0.000 2.410 457 L HA 0.629 4.969 4.340 0.000 0.000 0.270 457 L C -0.278 176.506 176.870 -0.144 0.000 0.983 457 L CA -0.700 54.075 54.840 -0.108 0.000 0.822 457 L CB 2.354 44.317 42.059 -0.161 0.000 1.285 457 L HN 0.583 nan 8.230 nan 0.000 0.409 458 S N 1.025 116.635 115.700 -0.149 0.000 2.546 458 S HA 0.535 5.005 4.470 0.000 0.000 0.274 458 S C 0.040 174.594 174.600 -0.077 0.000 1.121 458 S CA -0.469 57.677 58.200 -0.090 0.000 0.887 458 S CB 1.090 64.296 63.200 0.010 0.000 1.094 458 S HN 0.467 nan 8.310 nan 0.000 0.474 459 F N 1.816 121.823 119.950 0.094 0.000 2.780 459 F HA 0.175 4.702 4.527 0.000 0.000 0.299 459 F C 1.396 177.322 175.800 0.209 0.000 1.146 459 F CA 0.280 58.354 58.000 0.123 0.000 1.428 459 F CB 0.430 39.462 39.000 0.052 0.000 1.115 459 F HN 0.391 nan 8.300 nan 0.000 0.583 460 T N -0.782 113.944 114.554 0.286 0.000 2.767 460 T HA 0.062 4.412 4.350 0.000 0.000 0.288 460 T C -0.514 174.195 174.700 0.014 0.000 0.963 460 T CA -0.400 61.800 62.100 0.168 0.000 1.019 460 T CB 0.217 69.142 68.868 0.095 0.000 0.923 460 T HN 0.140 nan 8.240 nan 0.000 0.468 461 H N 5.078 123.968 119.070 -0.299 0.000 3.184 461 H HA 0.149 4.705 4.556 0.000 0.000 0.274 461 H C -2.113 172.945 175.328 -0.450 0.000 0.962 461 H CA -1.543 53.987 56.048 -0.864 0.000 1.441 461 H CB 0.349 29.726 29.762 -0.641 0.000 1.518 461 H HN 0.271 nan 8.280 nan 0.000 0.539 462 P HA 0.055 nan 4.420 nan 0.000 0.276 462 P C -0.162 177.151 177.300 0.021 0.000 1.243 462 P CA -0.102 62.979 63.100 -0.032 0.000 0.768 462 P CB 1.410 33.095 31.700 -0.025 0.000 0.856 463 A N 3.825 126.620 122.820 -0.042 0.000 1.929 463 A HA 0.192 4.512 4.320 0.000 0.000 0.216 463 A C 1.225 178.785 177.584 -0.041 0.000 1.176 463 A CA 0.973 52.963 52.037 -0.078 0.000 0.628 463 A CB -0.958 17.990 19.000 -0.087 0.000 0.816 463 A HN 0.607 nan 8.150 nan 0.000 0.444 464 A N 0.912 123.720 122.820 -0.019 0.000 2.520 464 A HA 0.372 4.692 4.320 0.000 0.000 0.245 464 A C -0.511 177.058 177.584 -0.025 0.000 1.072 464 A CA -0.158 51.871 52.037 -0.014 0.000 0.761 464 A CB 0.010 19.013 19.000 0.004 0.000 1.004 464 A HN 0.423 nan 8.150 nan 0.000 0.499 465 D N 1.207 121.575 120.400 -0.054 0.000 2.225 465 D HA 0.562 5.202 4.640 0.000 0.000 0.248 465 D C 0.354 176.478 176.300 -0.292 0.000 1.096 465 D CA 0.799 54.726 54.000 -0.122 0.000 0.863 465 D CB 1.846 42.658 40.800 0.020 0.000 1.156 465 D HN 0.770 nan 8.370 nan 0.000 0.450 466 G N -0.203 108.142 108.800 -0.759 0.000 2.645 466 G HA2 0.688 4.648 3.960 0.000 0.000 0.292 466 G HA3 0.688 4.648 3.960 0.000 0.000 0.292 466 G C -1.911 172.263 174.900 -1.210 0.000 1.415 466 G CA -0.568 44.047 45.100 -0.810 0.000 0.785 466 G HN 0.560 nan 8.290 nan 0.000 0.483 467 A N 0.040 122.511 122.820 -0.582 0.000 2.566 467 A HA 0.727 5.047 4.320 0.000 0.000 0.297 467 A C -1.967 175.634 177.584 0.029 0.000 1.059 467 A CA -0.653 51.226 52.037 -0.263 0.000 0.691 467 A CB 1.918 20.855 19.000 -0.105 0.000 1.282 467 A HN 0.462 nan 8.150 nan 0.000 0.401 468 D N 1.606 122.103 120.400 0.162 0.000 2.362 468 D HA 0.605 5.245 4.640 0.000 0.000 0.247 468 D C -0.206 176.233 176.300 0.231 0.000 1.050 468 D CA 0.119 54.233 54.000 0.191 0.000 0.839 468 D CB 2.063 42.974 40.800 0.184 0.000 1.283 468 D HN 0.655 nan 8.370 nan 0.000 0.477 469 S N 0.970 116.796 115.700 0.209 0.000 2.568 469 S HA 0.808 5.278 4.470 0.000 0.000 0.302 469 S C -0.937 173.826 174.600 0.272 0.000 1.082 469 S CA -0.769 57.543 58.200 0.187 0.000 1.009 469 S CB 1.551 64.808 63.200 0.096 0.000 1.069 469 S HN 0.480 nan 8.310 nan 0.000 0.500 470 Y N -1.201 119.181 120.300 0.137 0.000 2.544 470 Y HA 0.760 5.310 4.550 0.000 0.000 0.342 470 Y C -1.563 174.398 175.900 0.102 0.000 1.062 470 Y CA -1.534 56.633 58.100 0.113 0.000 1.023 470 Y CB 0.770 39.302 38.460 0.120 0.000 1.308 470 Y HN 0.484 nan 8.280 nan 0.000 0.457 471 V N 2.833 122.856 119.914 0.181 0.000 2.406 471 V HA 0.370 4.490 4.120 0.000 0.000 0.272 471 V C -0.056 176.133 176.094 0.158 0.000 1.043 471 V CA -0.347 62.006 62.300 0.090 0.000 0.915 471 V CB 1.231 33.103 31.823 0.082 0.000 0.988 471 V HN 0.829 nan 8.190 nan 0.000 0.466 472 S N 3.727 119.474 115.700 0.079 0.000 2.420 472 S HA 0.302 4.772 4.470 0.000 0.000 0.313 472 S C -0.644 174.007 174.600 0.084 0.000 1.079 472 S CA -0.627 57.643 58.200 0.115 0.000 1.104 472 S CB 0.408 63.638 63.200 0.049 0.000 0.969 472 S HN 0.818 nan 8.310 nan 0.000 0.471 473 D N 5.499 125.968 120.400 0.115 0.000 2.414 473 D HA 0.442 5.082 4.640 0.000 0.000 0.232 473 D C -1.856 174.494 176.300 0.084 0.000 1.070 473 D CA -2.283 51.788 54.000 0.117 0.000 0.839 473 D CB 1.909 42.819 40.800 0.183 0.000 1.079 473 D HN 0.210 nan 8.370 nan 0.000 0.521 474 P HA -0.029 nan 4.420 nan 0.000 0.225 474 P C 0.789 177.991 177.300 -0.164 0.000 1.148 474 P CA 0.690 63.779 63.100 -0.019 0.000 0.779 474 P CB 0.306 32.074 31.700 0.113 0.000 0.780 475 A N -1.426 121.308 122.820 -0.142 0.000 2.119 475 A HA -0.076 4.244 4.320 0.000 0.000 0.216 475 A C 0.410 177.669 177.584 -0.542 0.000 1.152 475 A CA 0.983 52.817 52.037 -0.337 0.000 0.708 475 A CB -0.995 17.819 19.000 -0.311 0.000 0.805 475 A HN 0.275 nan 8.150 nan 0.000 0.460 476 H N -0.380 118.682 119.070 -0.013 0.000 2.379 476 H HA 0.278 4.834 4.556 0.000 0.000 0.229 476 H C -2.799 172.577 175.328 0.080 0.000 1.423 476 H CA -1.699 54.388 56.048 0.066 0.000 1.375 476 H CB 0.498 30.307 29.762 0.077 0.000 1.592 476 H HN 0.274 nan 8.280 nan 0.000 0.507 477 P HA 0.003 nan 4.420 nan 0.000 0.272 477 P C 0.116 177.599 177.300 0.306 0.000 1.223 477 P CA -0.326 62.819 63.100 0.077 0.000 0.784 477 P CB 1.601 33.146 31.700 -0.258 0.000 0.923 478 V N 3.835 123.928 119.914 0.297 0.000 2.470 478 V HA 0.118 4.238 4.120 0.000 0.000 0.276 478 V C -1.958 174.413 176.094 0.462 0.000 1.040 478 V CA -1.477 61.019 62.300 0.326 0.000 1.008 478 V CB 0.052 32.020 31.823 0.242 0.000 0.990 478 V HN 0.532 nan 8.190 nan 0.000 0.477 479 P HA 0.042 nan 4.420 nan 0.000 0.267 479 P C 0.568 178.036 177.300 0.280 0.000 1.209 479 P CA -0.156 63.174 63.100 0.382 0.000 0.763 479 P CB 0.242 32.014 31.700 0.119 0.000 0.816 480 F N 5.523 125.495 119.950 0.036 0.000 2.216 480 F HA 0.013 4.540 4.527 0.000 0.000 0.300 480 F C 0.619 176.307 175.800 -0.187 0.000 1.085 480 F CA 0.472 58.366 58.000 -0.176 0.000 1.326 480 F CB -0.755 37.709 39.000 -0.893 0.000 1.027 480 F HN 0.146 nan 8.300 nan 0.000 0.497 481 I N -3.012 116.959 120.570 -0.999 0.000 2.994 481 I HA 0.508 4.678 4.170 0.000 0.000 0.306 481 I C -0.194 175.664 176.117 -0.432 0.000 1.195 481 I CA -1.419 59.452 61.300 -0.716 0.000 1.001 481 I CB 1.762 39.166 38.000 -0.993 0.000 1.244 481 I HN -0.261 nan 8.210 nan 0.000 0.437 482 S N 2.346 117.899 115.700 -0.245 0.000 2.573 482 S HA 0.116 4.586 4.470 0.000 0.000 0.297 482 S C 0.236 174.762 174.600 -0.124 0.000 1.280 482 S CA -0.270 57.841 58.200 -0.149 0.000 1.061 482 S CB -0.026 63.112 63.200 -0.102 0.000 0.812 482 S HN 0.473 nan 8.310 nan 0.000 0.500 483 R N 2.691 123.122 120.500 -0.114 0.000 2.539 483 R HA 0.314 4.654 4.340 0.000 0.000 0.275 483 R C -2.001 174.269 176.300 -0.050 0.000 1.077 483 R CA -1.217 54.831 56.100 -0.087 0.000 1.097 483 R CB -0.085 30.101 30.300 -0.190 0.000 1.018 483 R HN 0.456 nan 8.270 nan 0.000 0.483 484 P HA 0.249 nan 4.420 nan 0.000 0.284 484 P C -1.370 175.975 177.300 0.075 0.000 1.258 484 P CA -0.334 62.776 63.100 0.018 0.000 0.824 484 P CB 0.774 32.478 31.700 0.007 0.000 1.038 485 F N 0.890 120.791 119.950 -0.082 0.000 2.561 485 F HA 0.644 5.171 4.527 0.000 0.000 0.313 485 F C -1.612 174.099 175.800 -0.148 0.000 1.126 485 F CA -0.619 57.300 58.000 -0.136 0.000 0.918 485 F CB 1.787 40.650 39.000 -0.229 0.000 1.199 485 F HN 0.535 nan 8.300 nan 0.000 0.444 486 A N 5.311 127.443 122.820 -1.147 0.000 2.365 486 A HA 0.536 4.856 4.320 0.000 0.000 0.318 486 A C -0.320 176.415 177.584 -1.414 0.000 1.091 486 A CA -0.617 50.850 52.037 -0.951 0.000 0.763 486 A CB 0.492 19.254 19.000 -0.396 0.000 1.248 486 A HN 0.870 nan 8.150 nan 0.000 0.442 487 F N 1.466 120.934 119.950 -0.802 0.000 2.408 487 F HA -0.135 4.392 4.527 0.000 0.000 0.300 487 F C 2.456 178.035 175.800 -0.370 0.000 1.090 487 F CA 1.711 59.375 58.000 -0.560 0.000 1.427 487 F CB 0.137 38.910 39.000 -0.379 0.000 1.070 487 F HN 0.656 nan 8.300 nan 0.000 0.549 488 A N -0.731 121.996 122.820 -0.155 0.000 2.119 488 A HA -0.084 4.236 4.320 0.000 0.000 0.217 488 A C 1.216 178.758 177.584 -0.069 0.000 1.153 488 A CA 0.303 52.291 52.037 -0.081 0.000 0.692 488 A CB -0.486 18.477 19.000 -0.062 0.000 0.799 488 A HN 0.344 nan 8.150 nan 0.000 0.458 489 Q N 0.761 120.478 119.800 -0.138 0.000 2.664 489 Q HA 0.224 4.564 4.340 0.000 0.000 0.223 489 Q C 0.686 176.774 176.000 0.147 0.000 1.298 489 Q CA -0.304 55.485 55.803 -0.022 0.000 0.965 489 Q CB 0.277 28.977 28.738 -0.063 0.000 1.510 489 Q HN 0.502 nan 8.270 nan 0.000 0.567 490 S N 0.434 116.220 115.700 0.143 0.000 2.383 490 S HA -0.203 4.267 4.470 0.000 0.000 0.229 490 S C 2.030 176.773 174.600 0.239 0.000 1.030 490 S CA 1.592 59.933 58.200 0.235 0.000 1.002 490 S CB -0.041 63.249 63.200 0.150 0.000 0.829 490 S HN 0.758 nan 8.310 nan 0.000 0.467 491 S N 1.797 117.587 115.700 0.150 0.000 2.419 491 S HA -0.030 4.440 4.470 0.000 0.000 0.233 491 S C 1.708 176.390 174.600 0.137 0.000 1.016 491 S CA 0.609 58.875 58.200 0.111 0.000 0.974 491 S CB -0.253 62.985 63.200 0.064 0.000 0.786 491 S HN 0.459 nan 8.310 nan 0.000 0.492 492 R N -0.821 119.806 120.500 0.212 0.000 2.189 492 R HA 0.145 4.485 4.340 0.000 0.000 0.203 492 R C 2.101 178.583 176.300 0.304 0.000 1.012 492 R CA 0.638 56.871 56.100 0.222 0.000 1.015 492 R CB -0.290 30.170 30.300 0.266 0.000 0.938 492 R HN 0.675 nan 8.270 nan 0.000 0.472 493 W N 2.828 124.288 121.300 0.268 0.000 2.407 493 W HA -0.113 4.547 4.660 0.000 0.000 0.305 493 W C 1.145 177.850 176.519 0.309 0.000 1.196 493 W CA 1.115 58.645 57.345 0.309 0.000 1.311 493 W CB 0.003 29.680 29.460 0.361 0.000 1.135 493 W HN -0.076 nan 8.180 nan 0.000 0.514 494 K N 0.130 120.588 120.400 0.097 0.000 2.034 494 K HA -0.192 4.128 4.320 0.000 0.000 0.214 494 K C -1.023 175.501 176.600 -0.127 0.000 1.051 494 K CA 2.069 58.323 56.287 -0.056 0.000 0.931 494 K CB -1.516 31.025 32.500 0.067 0.000 0.715 494 K HN 0.160 nan 8.250 nan 0.000 0.446 495 P HA -0.028 nan 4.420 nan 0.000 0.262 495 P C 0.345 177.554 177.300 -0.150 0.000 1.651 495 P CA -0.170 62.852 63.100 -0.130 0.000 1.119 495 P CB -0.569 31.078 31.700 -0.088 0.000 1.552 496 W N 0.280 121.414 121.300 -0.277 0.000 2.374 496 W HA -0.094 4.566 4.660 0.000 0.000 0.288 496 W C 0.483 176.876 176.519 -0.209 0.000 1.218 496 W CA 0.197 57.375 57.345 -0.279 0.000 1.245 496 W CB -1.337 27.917 29.460 -0.344 0.000 1.126 496 W HN -0.140 nan 8.180 nan 0.000 0.545 497 L N 1.975 122.638 121.223 -0.934 0.000 2.456 497 L HA -0.142 4.198 4.340 0.000 0.000 0.224 497 L C 2.241 178.841 176.870 -0.449 0.000 1.148 497 L CA 1.084 55.396 54.840 -0.880 0.000 0.825 497 L CB -0.440 41.232 42.059 -0.645 0.000 0.937 497 L HN 0.005 nan 8.230 nan 0.000 0.450 498 V N -4.918 114.718 119.914 -0.463 0.000 3.483 498 V HA 0.174 4.294 4.120 0.000 0.000 0.301 498 V C 0.900 176.943 176.094 -0.084 0.000 1.389 498 V CA -0.425 61.617 62.300 -0.430 0.000 1.101 498 V CB -0.232 31.147 31.823 -0.741 0.000 0.971 498 V HN 0.129 nan 8.190 nan 0.000 0.434 499 Q N 1.844 121.617 119.800 -0.044 0.000 2.421 499 Q HA 0.208 4.548 4.340 0.000 0.000 0.255 499 Q C -0.198 175.775 176.000 -0.046 0.000 1.013 499 Q CA 0.218 56.038 55.803 0.028 0.000 0.895 499 Q CB 0.717 29.459 28.738 0.007 0.000 1.271 499 Q HN 0.531 nan 8.270 nan 0.000 0.460 500 D N 1.510 121.727 120.400 -0.305 0.000 2.458 500 D HA -0.072 4.568 4.640 0.000 0.000 0.243 500 D C 0.185 176.325 176.300 -0.266 0.000 1.146 500 D CA 0.273 53.859 54.000 -0.690 0.000 0.877 500 D CB 0.723 40.959 40.800 -0.939 0.000 1.176 500 D HN 0.173 nan 8.370 nan 0.000 0.461 501 Q N 3.293 122.987 119.800 -0.177 0.000 2.222 501 Q HA 0.099 4.439 4.340 0.000 0.000 0.206 501 Q C 1.397 177.364 176.000 -0.055 0.000 0.877 501 Q CA -0.003 55.778 55.803 -0.038 0.000 0.958 501 Q CB 0.208 28.973 28.738 0.045 0.000 1.075 501 Q HN 0.506 nan 8.270 nan 0.000 0.483 502 R N 0.491 120.920 120.500 -0.117 0.000 2.115 502 R HA -0.117 4.223 4.340 0.000 0.000 0.230 502 R C 1.929 178.192 176.300 -0.062 0.000 1.111 502 R CA 0.991 57.038 56.100 -0.090 0.000 0.976 502 R CB 0.191 30.422 30.300 -0.114 0.000 0.870 502 R HN 0.367 nan 8.270 nan 0.000 0.445 503 E N 0.500 120.665 120.200 -0.058 0.000 2.051 503 E HA -0.199 4.151 4.350 0.000 0.000 0.192 503 E C 1.850 178.441 176.600 -0.015 0.000 0.991 503 E CA 1.253 57.631 56.400 -0.038 0.000 0.799 503 E CB -0.017 29.660 29.700 -0.038 0.000 0.748 503 E HN 0.347 nan 8.360 nan 0.000 0.449 504 A N 1.330 124.155 122.820 0.008 0.000 1.902 504 A HA -0.245 4.075 4.320 0.000 0.000 0.217 504 A C 2.069 179.647 177.584 -0.011 0.000 1.181 504 A CA 1.711 53.763 52.037 0.025 0.000 0.623 504 A CB -0.656 18.385 19.000 0.067 0.000 0.818 504 A HN 0.481 nan 8.150 nan 0.000 0.443 505 E N 0.566 120.752 120.200 -0.024 0.000 2.118 505 E HA -0.208 4.142 4.350 0.000 0.000 0.195 505 E C 1.966 178.530 176.600 -0.059 0.000 0.992 505 E CA 1.647 58.019 56.400 -0.047 0.000 0.804 505 E CB -0.154 29.517 29.700 -0.048 0.000 0.741 505 E HN 0.717 nan 8.360 nan 0.000 0.458 506 S N -0.139 115.532 115.700 -0.047 0.000 2.555 506 S HA -0.016 4.454 4.470 0.000 0.000 0.230 506 S C 0.735 175.311 174.600 -0.039 0.000 0.978 506 S CA -0.109 58.062 58.200 -0.047 0.000 0.934 506 S CB -0.152 63.023 63.200 -0.041 0.000 0.766 506 S HN 0.114 nan 8.310 nan 0.000 0.533 507 R N 1.787 122.268 120.500 -0.031 0.000 2.404 507 R HA 0.340 4.680 4.340 0.000 0.000 0.291 507 R C -1.804 174.485 176.300 -0.019 0.000 1.025 507 R CA -2.069 54.021 56.100 -0.017 0.000 0.991 507 R CB 0.482 30.785 30.300 0.004 0.000 1.053 507 R HN 0.139 nan 8.270 nan 0.000 0.479 508 P HA -0.085 nan 4.420 nan 0.000 0.233 508 P C -0.225 177.123 177.300 0.080 0.000 1.167 508 P CA 0.929 64.046 63.100 0.028 0.000 0.770 508 P CB 0.224 31.943 31.700 0.031 0.000 0.837 509 D N -0.505 119.939 120.400 0.073 0.000 2.395 509 D HA 0.120 4.760 4.640 0.000 0.000 0.226 509 D C -0.015 176.225 176.300 -0.101 0.000 1.146 509 D CA -0.662 53.425 54.000 0.145 0.000 0.830 509 D CB -0.296 40.608 40.800 0.174 0.000 0.958 509 D HN -0.032 nan 8.370 nan 0.000 0.501 510 V N 0.469 120.258 119.914 -0.210 0.000 2.686 510 V HA 0.373 4.493 4.120 0.000 0.000 0.306 510 V C -0.226 175.696 176.094 -0.287 0.000 1.065 510 V CA -1.229 60.863 62.300 -0.347 0.000 0.894 510 V CB 2.299 34.034 31.823 -0.147 0.000 1.004 510 V HN 0.153 nan 8.190 nan 0.000 0.424 511 V N 1.203 120.926 119.914 -0.318 0.000 2.435 511 V HA 0.836 4.956 4.120 0.000 0.000 0.290 511 V C -0.093 175.987 176.094 -0.024 0.000 1.030 511 V CA -0.197 62.055 62.300 -0.081 0.000 0.881 511 V CB 1.433 33.335 31.823 0.132 0.000 0.983 511 V HN 0.830 nan 8.190 nan 0.000 0.445 512 T N 4.748 119.230 114.554 -0.119 0.000 2.824 512 T HA 0.726 5.076 4.350 0.000 0.000 0.282 512 T C -1.245 173.333 174.700 -0.203 0.000 0.993 512 T CA -0.122 61.936 62.100 -0.070 0.000 0.967 512 T CB 1.106 69.924 68.868 -0.083 0.000 0.960 512 T HN 0.651 nan 8.240 nan 0.000 0.441 513 Y N 1.446 121.775 120.300 0.049 0.000 2.499 513 Y HA 0.606 5.156 4.550 0.000 0.000 0.347 513 Y C 0.354 176.246 175.900 -0.013 0.000 0.987 513 Y CA -1.128 56.988 58.100 0.027 0.000 1.044 513 Y CB 1.867 40.313 38.460 -0.022 0.000 1.245 513 Y HN 0.706 nan 8.280 nan 0.000 0.461 514 E N -0.922 119.349 120.200 0.118 0.000 2.392 514 E HA 0.521 4.871 4.350 0.000 0.000 0.279 514 E C -1.315 175.291 176.600 0.010 0.000 0.964 514 E CA -1.211 55.214 56.400 0.041 0.000 0.777 514 E CB 1.809 31.526 29.700 0.029 0.000 1.249 514 E HN 0.525 nan 8.360 nan 0.000 0.449 515 T N -0.456 114.082 114.554 -0.026 0.000 2.788 515 T HA 0.254 4.604 4.350 0.000 0.000 0.280 515 T C 0.381 175.085 174.700 0.007 0.000 0.984 515 T CA -0.851 61.231 62.100 -0.031 0.000 0.972 515 T CB 0.831 69.664 68.868 -0.058 0.000 1.039 515 T HN 0.451 nan 8.240 nan 0.000 0.530 516 E N 0.221 120.432 120.200 0.018 0.000 2.391 516 E HA 0.223 4.573 4.350 0.000 0.000 0.255 516 E C 0.014 176.641 176.600 0.044 0.000 1.187 516 E CA -0.445 55.973 56.400 0.030 0.000 0.941 516 E CB 0.719 30.438 29.700 0.033 0.000 1.010 516 E HN 0.478 nan 8.360 nan 0.000 0.458 517 V N 2.417 122.360 119.914 0.047 0.000 2.557 517 V HA -0.101 4.019 4.120 0.000 0.000 0.301 517 V C 0.719 176.859 176.094 0.077 0.000 1.026 517 V CA 0.374 62.713 62.300 0.064 0.000 1.137 517 V CB -0.385 31.469 31.823 0.052 0.000 0.917 517 V HN 0.365 nan 8.190 nan 0.000 0.484 518 L N 5.321 126.607 121.223 0.105 0.000 2.455 518 L HA 0.167 4.507 4.340 0.000 0.000 0.272 518 L C 1.017 177.943 176.870 0.094 0.000 1.174 518 L CA -0.010 54.896 54.840 0.110 0.000 0.869 518 L CB 0.254 42.400 42.059 0.144 0.000 1.130 518 L HN 0.646 nan 8.230 nan 0.000 0.474 519 D N 0.842 121.287 120.400 0.076 0.000 2.366 519 D HA 0.070 4.710 4.640 0.000 0.000 0.205 519 D C 0.283 176.615 176.300 0.053 0.000 1.022 519 D CA 0.738 54.773 54.000 0.059 0.000 0.868 519 D CB 0.743 41.571 40.800 0.047 0.000 0.953 519 D HN 0.460 nan 8.370 nan 0.000 0.514 520 E N 0.899 121.134 120.200 0.058 0.000 2.314 520 E HA 0.311 4.661 4.350 0.000 0.000 0.272 520 E C -2.514 174.120 176.600 0.057 0.000 0.884 520 E CA -1.896 54.530 56.400 0.044 0.000 0.753 520 E CB 2.734 32.450 29.700 0.027 0.000 1.213 520 E HN -0.079 nan 8.360 nan 0.000 0.432 521 P HA 0.140 nan 4.420 nan 0.000 0.271 521 P C -0.379 176.958 177.300 0.063 0.000 1.218 521 P CA -0.315 62.813 63.100 0.047 0.000 0.780 521 P CB 0.730 32.431 31.700 0.002 0.000 0.901 522 V N 4.316 124.310 119.914 0.133 0.000 2.376 522 V HA 0.314 4.434 4.120 0.000 0.000 0.287 522 V C 0.620 176.833 176.094 0.198 0.000 1.015 522 V CA -0.649 61.749 62.300 0.164 0.000 0.834 522 V CB 1.096 33.070 31.823 0.252 0.000 1.001 522 V HN 0.466 nan 8.190 nan 0.000 0.428 523 R N 3.675 124.230 120.500 0.091 0.000 2.312 523 R HA 0.743 5.083 4.340 0.000 0.000 0.311 523 R C -0.729 175.626 176.300 0.092 0.000 1.004 523 R CA -0.580 55.554 56.100 0.056 0.000 0.902 523 R CB 1.842 32.150 30.300 0.013 0.000 1.073 523 R HN 0.592 nan 8.270 nan 0.000 0.457 524 V N -1.263 118.711 119.914 0.100 0.000 2.656 524 V HA 0.719 4.839 4.120 0.000 0.000 0.307 524 V C -0.421 175.716 176.094 0.073 0.000 1.051 524 V CA -0.686 61.681 62.300 0.111 0.000 0.893 524 V CB 2.054 34.005 31.823 0.213 0.000 0.999 524 V HN 0.715 nan 8.190 nan 0.000 0.426 525 S N 2.347 118.076 115.700 0.047 0.000 2.609 525 S HA 0.852 5.322 4.470 0.000 0.000 0.250 525 S C -0.101 174.505 174.600 0.010 0.000 1.112 525 S CA 0.622 58.879 58.200 0.095 0.000 1.102 525 S CB 0.448 63.686 63.200 0.064 0.000 1.124 525 S HN 2.384 nan 8.310 nan 0.000 0.460 526 G N 2.000 110.854 108.800 0.091 0.000 2.334 526 G HA2 0.196 4.156 3.960 0.000 0.000 0.249 526 G HA3 0.196 4.156 3.960 0.000 0.000 0.249 526 G C -1.809 173.043 174.900 -0.080 0.000 1.327 526 G CA -0.101 44.871 45.100 -0.213 0.000 0.979 526 G HN 0.989 nan 8.290 nan 0.000 0.471 527 V N 2.776 122.586 119.914 -0.173 0.000 2.347 527 V HA 0.527 4.647 4.120 0.000 0.000 0.280 527 V C -2.036 174.010 176.094 -0.081 0.000 1.021 527 V CA -1.124 61.118 62.300 -0.097 0.000 0.847 527 V CB 1.411 33.158 31.823 -0.127 0.000 0.990 527 V HN 0.543 nan 8.190 nan 0.000 0.444 528 P HA 0.327 nan 4.420 nan 0.000 0.275 528 P C -0.901 176.336 177.300 -0.105 0.000 1.228 528 P CA -0.201 62.864 63.100 -0.059 0.000 0.786 528 P CB 1.000 32.688 31.700 -0.020 0.000 0.927 529 V N 1.823 121.632 119.914 -0.175 0.000 2.531 529 V HA 0.557 4.677 4.120 0.000 0.000 0.301 529 V C 0.147 175.986 176.094 -0.425 0.000 1.034 529 V CA -1.038 61.077 62.300 -0.309 0.000 0.865 529 V CB 1.519 33.135 31.823 -0.346 0.000 0.995 529 V HN 0.651 nan 8.190 nan 0.000 0.424 530 A N 2.811 125.244 122.820 -0.646 0.000 2.396 530 A HA 0.465 4.785 4.320 0.000 0.000 0.279 530 A C -0.082 177.104 177.584 -0.664 0.000 1.165 530 A CA -0.008 51.593 52.037 -0.727 0.000 0.824 530 A CB -0.107 18.165 19.000 -1.213 0.000 1.100 530 A HN 0.846 nan 8.150 nan 0.000 0.516 531 D N 2.721 122.901 120.400 -0.367 0.000 2.505 531 D HA 0.410 5.050 4.640 0.000 0.000 0.242 531 D C -0.932 175.267 176.300 -0.168 0.000 1.136 531 D CA -0.061 53.843 54.000 -0.159 0.000 0.954 531 D CB 0.282 41.091 40.800 0.015 0.000 1.002 531 D HN 0.364 nan 8.370 nan 0.000 0.512 532 L N 3.353 124.435 121.223 -0.236 0.000 2.295 532 L HA 0.567 4.907 4.340 0.000 0.000 0.285 532 L C -1.396 175.293 176.870 -0.302 0.000 1.035 532 L CA -0.363 54.359 54.840 -0.197 0.000 0.806 532 L CB 0.639 42.584 42.059 -0.191 0.000 1.214 532 L HN 0.118 nan 8.230 nan 0.000 0.426 533 F N 5.363 125.299 119.950 -0.025 0.000 2.359 533 F HA 0.729 5.256 4.527 0.000 0.000 0.369 533 F C 0.310 176.063 175.800 -0.079 0.000 1.084 533 F CA -0.282 57.697 58.000 -0.035 0.000 1.096 533 F CB 1.275 40.230 39.000 -0.076 0.000 1.335 533 F HN 0.619 nan 8.300 nan 0.000 0.457 534 A N 2.063 124.862 122.820 -0.035 0.000 2.435 534 A HA 0.963 5.283 4.320 0.000 0.000 0.304 534 A C -1.257 176.297 177.584 -0.050 0.000 1.064 534 A CA -0.679 51.206 52.037 -0.253 0.000 0.727 534 A CB 1.351 19.675 19.000 -1.126 0.000 1.284 534 A HN 0.744 nan 8.150 nan 0.000 0.415 535 A N 0.389 123.245 122.820 0.060 0.000 2.374 535 A HA 0.904 5.224 4.320 0.000 0.000 0.317 535 A C -0.242 177.530 177.584 0.312 0.000 1.094 535 A CA -0.221 51.929 52.037 0.189 0.000 0.765 535 A CB 1.617 20.692 19.000 0.124 0.000 1.268 535 A HN 1.514 nan 8.150 nan 0.000 0.438 536 T N -0.585 114.153 114.554 0.307 0.000 2.900 536 T HA 0.454 4.804 4.350 0.000 0.000 0.295 536 T C 1.053 175.830 174.700 0.128 0.000 1.044 536 T CA 0.260 62.498 62.100 0.229 0.000 0.995 536 T CB 1.270 70.280 68.868 0.237 0.000 1.072 536 T HN 1.335 nan 8.240 nan 0.000 0.473 537 S N 2.219 117.963 115.700 0.073 0.000 2.561 537 S HA 0.260 4.730 4.470 0.000 0.000 0.225 537 S C 1.158 175.788 174.600 0.051 0.000 0.977 537 S CA 0.187 58.420 58.200 0.055 0.000 0.926 537 S CB -0.302 62.921 63.200 0.037 0.000 0.769 537 S HN 0.915 nan 8.310 nan 0.000 0.533 538 G N 1.014 109.846 108.800 0.052 0.000 2.531 538 G HA2 0.435 4.395 3.960 0.000 0.000 0.281 538 G HA3 0.435 4.395 3.960 0.000 0.000 0.281 538 G C 0.501 175.442 174.900 0.067 0.000 1.382 538 G CA 0.089 45.217 45.100 0.047 0.000 1.045 538 G HN 0.384 nan 8.290 nan 0.000 0.533 539 T N -2.949 111.648 114.554 0.072 0.000 3.085 539 T HA 0.328 4.678 4.350 0.000 0.000 0.264 539 T C -0.182 174.598 174.700 0.132 0.000 1.019 539 T CA -0.054 62.101 62.100 0.091 0.000 0.910 539 T CB 0.360 69.285 68.868 0.096 0.000 1.059 539 T HN 0.389 nan 8.240 nan 0.000 0.542 540 D N -0.434 120.032 120.400 0.111 0.000 2.653 540 D HA 0.649 5.289 4.640 0.000 0.000 0.258 540 D C -1.577 174.724 176.300 0.003 0.000 1.252 540 D CA -0.184 53.880 54.000 0.107 0.000 0.777 540 D CB 2.227 43.095 40.800 0.113 0.000 1.339 540 D HN 0.038 nan 8.370 nan 0.000 0.422 541 S N 0.304 115.962 115.700 -0.070 0.000 2.614 541 S HA 0.332 4.802 4.470 0.000 0.000 0.280 541 S C -2.070 172.233 174.600 -0.495 0.000 1.111 541 S CA -0.771 57.216 58.200 -0.354 0.000 0.847 541 S CB 1.332 64.167 63.200 -0.608 0.000 1.079 541 S HN 0.375 nan 8.310 nan 0.000 0.452 542 D N 0.556 120.605 120.400 -0.585 0.000 2.217 542 D HA 0.588 5.228 4.640 0.000 0.000 0.248 542 D C -1.227 174.644 176.300 -0.715 0.000 1.008 542 D CA -0.010 53.725 54.000 -0.442 0.000 0.914 542 D CB 0.866 41.548 40.800 -0.197 0.000 1.182 542 D HN 0.436 nan 8.370 nan 0.000 0.451 543 W N 1.147 122.406 121.300 -0.069 0.000 2.499 543 W HA 0.447 5.107 4.660 0.000 0.000 0.320 543 W C -0.909 175.569 176.519 -0.068 0.000 1.010 543 W CA -0.895 56.402 57.345 -0.080 0.000 1.267 543 W CB 1.188 30.531 29.460 -0.195 0.000 1.316 543 W HN -0.070 nan 8.180 nan 0.000 0.431 544 V N 4.579 124.525 119.914 0.053 0.000 2.407 544 V HA 0.482 4.602 4.120 0.000 0.000 0.278 544 V C -0.172 175.895 176.094 -0.045 0.000 1.037 544 V CA -0.868 61.313 62.300 -0.198 0.000 0.900 544 V CB 1.214 32.628 31.823 -0.683 0.000 0.983 544 V HN 0.278 nan 8.190 nan 0.000 0.459 545 V N 5.874 125.816 119.914 0.046 0.000 2.487 545 V HA 0.502 4.622 4.120 0.000 0.000 0.298 545 V C -0.254 175.887 176.094 0.078 0.000 1.028 545 V CA -0.932 61.417 62.300 0.082 0.000 0.860 545 V CB 1.872 33.764 31.823 0.114 0.000 0.991 545 V HN 0.873 nan 8.190 nan 0.000 0.427 546 K N 4.625 125.066 120.400 0.069 0.000 2.345 546 K HA 0.657 4.977 4.320 0.000 0.000 0.255 546 K C -1.281 175.384 176.600 0.108 0.000 0.934 546 K CA -0.882 55.479 56.287 0.124 0.000 0.801 546 K CB 2.687 35.276 32.500 0.148 0.000 1.137 546 K HN 0.431 nan 8.250 nan 0.000 0.424 547 L N 4.643 125.943 121.223 0.129 0.000 2.265 547 L HA 0.476 4.816 4.340 0.000 0.000 0.289 547 L C -1.199 175.782 176.870 0.185 0.000 1.033 547 L CA -0.253 54.664 54.840 0.127 0.000 0.814 547 L CB 0.467 42.603 42.059 0.129 0.000 1.203 547 L HN 0.587 nan 8.230 nan 0.000 0.423 548 I N 3.982 124.665 120.570 0.189 0.000 2.646 548 I HA 0.362 4.532 4.170 0.000 0.000 0.299 548 I C -0.872 175.456 176.117 0.351 0.000 1.036 548 I CA -0.623 60.816 61.300 0.232 0.000 1.074 548 I CB 2.062 40.162 38.000 0.167 0.000 1.258 548 I HN 0.506 nan 8.210 nan 0.000 0.430 549 D N 5.539 126.183 120.400 0.406 0.000 2.392 549 D HA 0.277 4.917 4.640 0.000 0.000 0.228 549 D C -0.933 175.606 176.300 0.399 0.000 1.074 549 D CA -0.302 54.031 54.000 0.556 0.000 0.838 549 D CB 1.459 42.559 40.800 0.500 0.000 1.067 549 D HN 0.080 nan 8.370 nan 0.000 0.511 550 V N 5.161 125.275 119.914 0.334 0.000 2.432 550 V HA 0.121 4.241 4.120 0.000 0.000 0.271 550 V C 0.791 176.980 176.094 0.159 0.000 1.046 550 V CA -0.700 61.728 62.300 0.213 0.000 0.945 550 V CB 0.959 32.861 31.823 0.131 0.000 0.992 550 V HN 0.496 nan 8.190 nan 0.000 0.471 551 Q N 5.365 125.212 119.800 0.078 0.000 2.492 551 Q HA 0.251 4.591 4.340 0.000 0.000 0.238 551 Q C -2.252 173.591 176.000 -0.263 0.000 1.045 551 Q CA -1.935 53.742 55.803 -0.209 0.000 0.934 551 Q CB -0.114 28.593 28.738 -0.051 0.000 1.276 551 Q HN 0.431 nan 8.270 nan 0.000 0.521 552 P HA -0.082 nan 4.420 nan 0.000 0.265 552 P C 0.073 177.323 177.300 -0.083 0.000 1.187 552 P CA 0.543 63.526 63.100 -0.195 0.000 0.766 552 P CB 0.407 32.013 31.700 -0.157 0.000 0.820 553 A N 3.712 126.509 122.820 -0.040 0.000 1.971 553 A HA -0.168 4.152 4.320 0.000 0.000 0.222 553 A C 0.959 178.534 177.584 -0.014 0.000 1.182 553 A CA 1.832 53.859 52.037 -0.017 0.000 0.649 553 A CB -0.632 18.364 19.000 -0.008 0.000 0.818 553 A HN 0.493 nan 8.150 nan 0.000 0.458 554 M N -0.285 119.304 119.600 -0.019 0.000 2.393 554 M HA 0.315 4.795 4.480 0.000 0.000 0.299 554 M C -0.917 175.371 176.300 -0.021 0.000 1.103 554 M CA -0.107 55.185 55.300 -0.014 0.000 0.910 554 M CB 1.731 34.326 32.600 -0.008 0.000 1.659 554 M HN 0.248 nan 8.290 nan 0.000 0.445 555 T N -0.618 113.926 114.554 -0.018 0.000 3.241 555 T HA 0.402 4.752 4.350 0.000 0.000 0.387 555 T C -2.010 172.681 174.700 -0.015 0.000 1.451 555 T CA -1.389 60.698 62.100 -0.021 0.000 1.363 555 T CB 0.509 69.359 68.868 -0.031 0.000 1.074 555 T HN 0.372 nan 8.240 nan 0.000 0.598 556 P HA -0.074 nan 4.420 nan 0.000 0.219 556 P C 0.537 177.831 177.300 -0.010 0.000 1.146 556 P CA 1.020 64.115 63.100 -0.008 0.000 0.808 556 P CB 0.252 31.949 31.700 -0.004 0.000 0.779 557 D N -0.869 119.524 120.400 -0.011 0.000 2.347 557 D HA -0.020 4.620 4.640 0.000 0.000 0.213 557 D C 0.278 176.566 176.300 -0.021 0.000 0.985 557 D CA 1.105 55.097 54.000 -0.013 0.000 0.879 557 D CB -0.147 40.647 40.800 -0.010 0.000 0.919 557 D HN 0.188 nan 8.370 nan 0.000 0.526 558 D N -1.389 118.996 120.400 -0.026 0.000 2.934 558 D HA 0.123 4.763 4.640 0.000 0.000 0.249 558 D C -2.114 174.168 176.300 -0.030 0.000 1.293 558 D CA -1.457 52.522 54.000 -0.036 0.000 0.812 558 D CB 1.079 41.846 40.800 -0.055 0.000 1.439 558 D HN -0.242 nan 8.370 nan 0.000 0.555 559 P HA -0.221 nan 4.420 nan 0.000 0.217 559 P C 1.248 178.548 177.300 -0.001 0.000 1.151 559 P CA 1.551 64.645 63.100 -0.010 0.000 0.849 559 P CB 0.096 31.791 31.700 -0.008 0.000 0.787 560 K N -1.273 119.125 120.400 -0.003 0.000 2.360 560 K HA -0.075 4.245 4.320 0.000 0.000 0.201 560 K C 1.413 178.047 176.600 0.057 0.000 1.046 560 K CA 1.281 57.581 56.287 0.022 0.000 0.945 560 K CB -0.551 31.955 32.500 0.011 0.000 0.750 560 K HN 0.059 nan 8.250 nan 0.000 0.464 561 M N 1.458 121.062 119.600 0.006 0.000 2.561 561 M HA 0.127 4.607 4.480 0.000 0.000 0.238 561 M C 0.667 177.004 176.300 0.062 0.000 1.131 561 M CA 0.117 55.417 55.300 0.000 0.000 1.046 561 M CB -0.226 32.304 32.600 -0.117 0.000 1.532 561 M HN 0.223 nan 8.290 nan 0.000 0.497 562 G N 0.307 109.132 108.800 0.042 0.000 2.298 562 G HA2 0.330 4.290 3.960 0.000 0.000 0.263 562 G HA3 0.330 4.290 3.960 0.000 0.000 0.263 562 G C 1.120 176.048 174.900 0.047 0.000 1.229 562 G CA 0.414 45.529 45.100 0.025 0.000 0.976 562 G HN 0.694 nan 8.290 nan 0.000 0.459 563 G N 1.804 110.625 108.800 0.035 0.000 2.189 563 G HA2 -0.329 3.631 3.960 0.000 0.000 0.267 563 G HA3 -0.329 3.631 3.960 0.000 0.000 0.267 563 G C 0.499 175.446 174.900 0.078 0.000 0.975 563 G CA 0.639 45.762 45.100 0.037 0.000 0.644 563 G HN 1.086 nan 8.290 nan 0.000 0.537 564 Y N 1.826 122.116 120.300 -0.018 0.000 2.721 564 Y HA 0.320 4.870 4.550 0.000 0.000 0.329 564 Y C 0.807 176.720 175.900 0.023 0.000 1.211 564 Y CA 0.711 58.808 58.100 -0.005 0.000 1.512 564 Y CB 0.442 38.893 38.460 -0.015 0.000 1.249 564 Y HN 0.345 nan 8.280 nan 0.000 0.549 565 E N 6.946 127.106 120.200 -0.067 0.000 1.986 565 E HA 0.157 4.507 4.350 0.000 0.000 0.264 565 E C -1.285 175.382 176.600 0.111 0.000 1.023 565 E CA -0.615 55.812 56.400 0.045 0.000 0.834 565 E CB 0.511 30.200 29.700 -0.019 0.000 1.111 565 E HN 0.414 nan 8.360 nan 0.000 0.417 566 L N 5.075 126.493 121.223 0.326 0.000 2.278 566 L HA 0.359 4.699 4.340 0.000 0.000 0.287 566 L C -2.591 174.420 176.870 0.236 0.000 1.072 566 L CA -2.080 52.959 54.840 0.332 0.000 0.819 566 L CB 0.448 42.695 42.059 0.314 0.000 1.176 566 L HN 0.148 nan 8.230 nan 0.000 0.435 567 P HA 0.112 nan 4.420 nan 0.000 0.282 567 P C 0.491 177.979 177.300 0.314 0.000 1.262 567 P CA -0.292 62.942 63.100 0.223 0.000 0.773 567 P CB 1.195 33.015 31.700 0.199 0.000 0.879 568 V N 0.524 120.569 119.914 0.218 0.000 3.565 568 V HA 0.274 4.394 4.120 0.000 0.000 0.260 568 V C 0.543 176.648 176.094 0.019 0.000 1.231 568 V CA 0.481 62.847 62.300 0.110 0.000 1.100 568 V CB -0.119 31.581 31.823 -0.205 0.000 0.807 568 V HN 0.564 nan 8.190 nan 0.000 0.454 569 S N 1.207 116.973 115.700 0.109 0.000 2.590 569 S HA 0.733 5.203 4.470 0.000 0.000 0.286 569 S C -0.987 173.725 174.600 0.186 0.000 1.147 569 S CA -0.634 57.628 58.200 0.104 0.000 0.963 569 S CB 1.046 64.282 63.200 0.060 0.000 1.124 569 S HN 0.630 nan 8.310 nan 0.000 0.458 570 M N 2.699 122.455 119.600 0.261 0.000 2.520 570 M HA 0.796 5.276 4.480 0.000 0.000 0.280 570 M C -1.757 174.866 176.300 0.537 0.000 1.232 570 M CA -0.732 54.793 55.300 0.375 0.000 0.892 570 M CB 2.193 35.069 32.600 0.460 0.000 1.728 570 M HN 0.480 nan 8.290 nan 0.000 0.475 571 D N 0.621 121.346 120.400 0.541 0.000 2.671 571 D HA 0.651 5.291 4.640 0.000 0.000 0.273 571 D C -2.042 174.521 176.300 0.439 0.000 1.264 571 D CA -0.387 54.011 54.000 0.663 0.000 0.788 571 D CB 3.064 44.277 40.800 0.688 0.000 1.324 571 D HN 0.849 nan 8.370 nan 0.000 0.424 572 I N 1.097 121.906 120.570 0.398 0.000 2.646 572 I HA 0.631 4.801 4.170 0.000 0.000 0.299 572 I C -1.508 174.649 176.117 0.066 0.000 1.036 572 I CA -0.903 60.449 61.300 0.088 0.000 1.074 572 I CB 1.519 39.430 38.000 -0.148 0.000 1.258 572 I HN 0.291 nan 8.210 nan 0.000 0.430 573 F N 6.712 126.500 119.950 -0.270 0.000 2.518 573 F HA 0.520 5.047 4.527 0.000 0.000 0.323 573 F C -0.357 175.387 175.800 -0.093 0.000 1.129 573 F CA -0.782 56.998 58.000 -0.367 0.000 0.920 573 F CB 1.207 39.543 39.000 -1.106 0.000 1.160 573 F HN 0.401 nan 8.300 nan 0.000 0.440 574 R N 3.997 124.345 120.500 -0.254 0.000 2.248 574 R HA 0.281 4.621 4.340 0.000 0.000 0.337 574 R C 1.348 177.735 176.300 0.144 0.000 1.085 574 R CA 0.572 56.661 56.100 -0.017 0.000 0.934 574 R CB 0.626 30.977 30.300 0.086 0.000 1.034 574 R HN 0.988 nan 8.270 nan 0.000 0.465 575 G N 4.881 113.881 108.800 0.334 0.000 2.545 575 G HA2 -0.386 3.574 3.960 0.000 0.000 0.222 575 G HA3 -0.386 3.574 3.960 0.000 0.000 0.222 575 G C 1.257 176.405 174.900 0.413 0.000 1.126 575 G CA 1.071 46.540 45.100 0.614 0.000 0.754 575 G HN 0.778 nan 8.290 nan 0.000 0.583 576 R N -0.588 119.971 120.500 0.097 0.000 2.241 576 R HA -0.061 4.279 4.340 0.000 0.000 0.224 576 R C 1.222 177.447 176.300 -0.125 0.000 1.101 576 R CA 1.255 57.326 56.100 -0.048 0.000 0.995 576 R CB -0.581 29.643 30.300 -0.127 0.000 0.870 576 R HN 0.502 nan 8.270 nan 0.000 0.463 577 Y N 0.409 120.853 120.300 0.241 0.000 2.493 577 Y HA 0.277 4.827 4.550 0.000 0.000 0.275 577 Y C 2.265 178.248 175.900 0.138 0.000 1.183 577 Y CA -0.628 57.571 58.100 0.164 0.000 1.258 577 Y CB 0.103 38.699 38.460 0.227 0.000 1.108 577 Y HN -0.016 nan 8.280 nan 0.000 0.521 578 R N 1.304 122.037 120.500 0.388 0.000 2.096 578 R HA -0.218 4.122 4.340 0.000 0.000 0.240 578 R C 1.479 177.760 176.300 -0.031 0.000 1.139 578 R CA 1.999 58.228 56.100 0.214 0.000 0.952 578 R CB 0.091 30.377 30.300 -0.023 0.000 0.854 578 R HN 0.312 nan 8.270 nan 0.000 0.436 579 K N -1.443 118.935 120.400 -0.036 0.000 2.242 579 K HA 0.024 4.344 4.320 0.000 0.000 0.200 579 K C -0.118 176.438 176.600 -0.073 0.000 1.050 579 K CA 0.456 56.699 56.287 -0.072 0.000 0.981 579 K CB 0.411 32.879 32.500 -0.054 0.000 0.795 579 K HN 0.054 nan 8.250 nan 0.000 0.477 580 D N -1.287 119.090 120.400 -0.038 0.000 2.861 580 D HA 0.088 4.728 4.640 0.000 0.000 0.216 580 D C -0.148 176.219 176.300 0.113 0.000 1.323 580 D CA -0.481 53.516 54.000 -0.005 0.000 0.917 580 D CB 0.803 41.641 40.800 0.063 0.000 1.582 580 D HN -0.219 nan 8.370 nan 0.000 0.576 581 F N 1.938 122.016 119.950 0.213 0.000 2.293 581 F HA 0.038 4.565 4.527 0.000 0.000 0.300 581 F C 2.389 178.171 175.800 -0.030 0.000 1.086 581 F CA 1.175 59.218 58.000 0.071 0.000 1.375 581 F CB -0.284 38.639 39.000 -0.128 0.000 1.045 581 F HN 0.500 nan 8.300 nan 0.000 0.516 582 A N -1.022 121.929 122.820 0.218 0.000 2.081 582 A HA 0.052 4.372 4.320 0.000 0.000 0.214 582 A C 0.966 178.656 177.584 0.177 0.000 1.158 582 A CA 0.472 52.581 52.037 0.119 0.000 0.724 582 A CB -0.056 18.986 19.000 0.071 0.000 0.826 582 A HN 0.025 nan 8.150 nan 0.000 0.463 583 K N 1.561 122.089 120.400 0.214 0.000 2.592 583 K HA 0.305 4.625 4.320 0.000 0.000 0.212 583 K C -3.141 173.593 176.600 0.223 0.000 1.013 583 K CA -1.901 54.500 56.287 0.189 0.000 1.034 583 K CB 1.531 34.097 32.500 0.111 0.000 1.292 583 K HN 0.167 nan 8.250 nan 0.000 0.521 584 P HA 0.079 nan 4.420 nan 0.000 0.268 584 P C -0.546 176.830 177.300 0.126 0.000 1.205 584 P CA 0.236 63.449 63.100 0.189 0.000 0.771 584 P CB 1.046 32.853 31.700 0.178 0.000 0.858 585 E N 0.547 120.720 120.200 -0.044 0.000 2.317 585 E HA 0.555 4.905 4.350 0.000 0.000 0.270 585 E C -0.698 175.532 176.600 -0.616 0.000 0.885 585 E CA -1.151 55.053 56.400 -0.326 0.000 0.760 585 E CB 2.359 31.958 29.700 -0.168 0.000 1.227 585 E HN 0.471 nan 8.360 nan 0.000 0.434 586 A N 3.162 125.336 122.820 -1.076 0.000 2.407 586 A HA 0.354 4.674 4.320 0.000 0.000 0.248 586 A C -0.248 177.171 177.584 -0.274 0.000 1.082 586 A CA -0.140 51.404 52.037 -0.822 0.000 0.785 586 A CB 0.160 18.706 19.000 -0.755 0.000 1.020 586 A HN 0.534 nan 8.150 nan 0.000 0.489 587 L N 1.306 122.481 121.223 -0.081 0.000 2.375 587 L HA 0.313 4.653 4.340 0.000 0.000 0.271 587 L C 0.018 176.895 176.870 0.011 0.000 1.107 587 L CA -0.657 54.194 54.840 0.019 0.000 0.806 587 L CB 0.879 43.026 42.059 0.147 0.000 1.146 587 L HN 0.696 nan 8.230 nan 0.000 0.447 588 Q N 2.952 122.763 119.800 0.017 0.000 2.288 588 Q HA 0.260 4.600 4.340 0.000 0.000 0.258 588 Q C -2.295 173.734 176.000 0.048 0.000 0.957 588 Q CA -1.471 54.341 55.803 0.016 0.000 0.919 588 Q CB 0.492 29.231 28.738 0.003 0.000 1.185 588 Q HN 0.236 nan 8.270 nan 0.000 0.408 589 P HA -0.084 nan 4.420 nan 0.000 0.264 589 P C -0.600 176.733 177.300 0.054 0.000 1.193 589 P CA 0.377 63.510 63.100 0.055 0.000 0.763 589 P CB 0.503 32.228 31.700 0.041 0.000 0.810 590 D N -0.769 119.674 120.400 0.071 0.000 3.079 590 D HA -0.194 4.446 4.640 0.000 0.000 0.214 590 D C 0.075 176.410 176.300 0.058 0.000 1.145 590 D CA 1.431 55.470 54.000 0.064 0.000 0.958 590 D CB -1.440 39.387 40.800 0.045 0.000 1.117 590 D HN 0.522 nan 8.370 nan 0.000 0.416 591 A N 0.610 123.469 122.820 0.064 0.000 2.289 591 A HA 0.493 4.813 4.320 0.000 0.000 0.298 591 A C 0.608 178.231 177.584 0.064 0.000 1.208 591 A CA -0.036 52.029 52.037 0.046 0.000 0.845 591 A CB 0.694 19.713 19.000 0.032 0.000 1.125 591 A HN 0.005 nan 8.150 nan 0.000 0.517 592 T N 4.234 118.811 114.554 0.039 0.000 2.751 592 T HA 0.386 4.736 4.350 0.000 0.000 0.290 592 T C -0.006 174.729 174.700 0.059 0.000 0.919 592 T CA 0.604 62.736 62.100 0.054 0.000 1.136 592 T CB -0.664 68.201 68.868 -0.004 0.000 0.875 592 T HN 0.419 nan 8.240 nan 0.000 0.532 593 L N 2.830 124.088 121.223 0.058 0.000 2.334 593 L HA 0.437 4.777 4.340 0.000 0.000 0.273 593 L C 0.532 177.290 176.870 -0.186 0.000 1.013 593 L CA -1.071 53.723 54.840 -0.076 0.000 0.816 593 L CB 1.546 43.496 42.059 -0.181 0.000 1.278 593 L HN 0.637 nan 8.230 nan 0.000 0.431 594 H N 1.871 120.684 119.070 -0.429 0.000 2.723 594 H HA 0.304 4.860 4.556 0.000 0.000 0.294 594 H C -1.484 173.412 175.328 -0.720 0.000 1.079 594 H CA -0.521 55.143 56.048 -0.641 0.000 1.411 594 H CB 0.521 30.000 29.762 -0.472 0.000 1.439 594 H HN 0.403 nan 8.280 nan 0.000 0.474 595 Y N 3.335 123.406 120.300 -0.382 0.000 2.352 595 Y HA 0.190 4.740 4.550 0.000 0.000 0.339 595 Y C -0.332 175.332 175.900 -0.394 0.000 0.992 595 Y CA -0.772 57.068 58.100 -0.433 0.000 1.100 595 Y CB 1.406 39.631 38.460 -0.391 0.000 1.192 595 Y HN 0.689 nan 8.280 nan 0.000 0.458 596 H N 4.701 123.560 119.070 -0.352 0.000 3.078 596 H HA 0.505 5.061 4.556 0.000 0.000 0.319 596 H C -1.753 173.528 175.328 -0.078 0.000 0.995 596 H CA -1.076 54.785 56.048 -0.311 0.000 1.417 596 H CB 0.381 29.892 29.762 -0.419 0.000 1.598 596 H HN 0.506 nan 8.280 nan 0.000 0.515 597 F N 1.290 121.011 119.950 -0.381 0.000 2.608 597 F HA 0.495 5.022 4.527 0.000 0.000 0.309 597 F C -0.503 175.259 175.800 -0.064 0.000 1.103 597 F CA -1.186 56.701 58.000 -0.188 0.000 0.954 597 F CB 0.847 39.614 39.000 -0.388 0.000 1.267 597 F HN 0.347 nan 8.300 nan 0.000 0.444 598 T N 1.393 116.116 114.554 0.282 0.000 2.918 598 T HA 0.608 4.958 4.350 0.000 0.000 0.302 598 T C -0.293 174.626 174.700 0.365 0.000 1.045 598 T CA -0.468 61.759 62.100 0.212 0.000 1.114 598 T CB 1.008 70.017 68.868 0.236 0.000 0.965 598 T HN 0.702 nan 8.240 nan 0.000 0.540 599 L N 2.085 123.419 121.223 0.185 0.000 2.304 599 L HA 0.539 4.879 4.340 0.000 0.000 0.268 599 L C -2.278 174.690 176.870 0.164 0.000 1.010 599 L CA -3.198 51.783 54.840 0.235 0.000 0.813 599 L CB 1.536 43.672 42.059 0.128 0.000 1.315 599 L HN 0.413 nan 8.230 nan 0.000 0.445 600 P HA -0.017 nan 4.420 nan 0.000 0.265 600 P C -0.688 176.617 177.300 0.009 0.000 1.187 600 P CA -0.038 63.109 63.100 0.078 0.000 0.766 600 P CB 0.422 32.165 31.700 0.071 0.000 0.820 601 A N 2.965 125.773 122.820 -0.021 0.000 2.507 601 A HA 0.411 4.731 4.320 0.000 0.000 0.235 601 A C 0.227 177.772 177.584 -0.066 0.000 1.070 601 A CA 0.154 52.190 52.037 -0.003 0.000 0.768 601 A CB -0.261 18.782 19.000 0.070 0.000 1.011 601 A HN 0.475 nan 8.150 nan 0.000 0.502 602 V N -0.959 118.949 119.914 -0.010 0.000 3.007 602 V HA 0.837 4.957 4.120 0.000 0.000 0.311 602 V C -0.687 175.409 176.094 0.004 0.000 1.120 602 V CA -0.836 61.425 62.300 -0.065 0.000 0.980 602 V CB 2.170 33.978 31.823 -0.026 0.000 1.033 602 V HN 0.897 nan 8.190 nan 0.000 0.429 603 N N 0.966 119.629 118.700 -0.061 0.000 2.751 603 N HA 0.434 5.174 4.740 0.000 0.000 0.234 603 N C -1.263 174.219 175.510 -0.047 0.000 1.403 603 N CA -0.152 52.887 53.050 -0.019 0.000 0.747 603 N CB 0.523 38.969 38.487 -0.070 0.000 1.326 603 N HN 1.131 nan 8.380 nan 0.000 0.532 604 H N -0.204 118.760 119.070 -0.176 0.000 2.949 604 H HA 0.767 5.323 4.556 0.000 0.000 0.356 604 H C -1.419 173.748 175.328 -0.269 0.000 1.212 604 H CA -0.668 55.215 56.048 -0.276 0.000 1.136 604 H CB 1.714 31.224 29.762 -0.419 0.000 1.869 604 H HN -0.042 nan 8.280 nan 0.000 0.556 605 V N 3.410 122.769 119.914 -0.923 0.000 2.482 605 V HA 0.240 4.360 4.120 0.000 0.000 0.295 605 V C -0.913 174.737 176.094 -0.740 0.000 1.026 605 V CA -0.625 61.329 62.300 -0.576 0.000 0.856 605 V CB 1.004 32.609 31.823 -0.364 0.000 1.001 605 V HN 0.596 nan 8.190 nan 0.000 0.424 606 F N 4.012 123.852 119.950 -0.183 0.000 2.439 606 F HA 0.597 5.124 4.527 0.000 0.000 0.356 606 F C 1.078 176.770 175.800 -0.180 0.000 1.161 606 F CA -0.043 57.896 58.000 -0.102 0.000 1.151 606 F CB 0.657 39.714 39.000 0.095 0.000 1.222 606 F HN 0.596 nan 8.300 nan 0.000 0.558 607 A N 4.235 126.867 122.820 -0.313 0.000 2.280 607 A HA 0.335 4.655 4.320 0.000 0.000 0.268 607 A C 0.401 178.022 177.584 0.062 0.000 1.111 607 A CA -0.764 51.157 52.037 -0.194 0.000 0.814 607 A CB 0.368 19.190 19.000 -0.297 0.000 1.093 607 A HN 0.679 nan 8.150 nan 0.000 0.498 608 K N -0.483 119.977 120.400 0.099 0.000 2.448 608 K HA 0.329 4.649 4.320 0.000 0.000 0.278 608 K C 1.154 177.892 176.600 0.229 0.000 1.009 608 K CA 1.203 57.574 56.287 0.140 0.000 0.995 608 K CB 0.168 32.721 32.500 0.088 0.000 0.917 608 K HN 1.333 nan 8.250 nan 0.000 0.481 609 G N 1.695 110.607 108.800 0.186 0.000 2.241 609 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 609 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 609 G C 0.188 175.172 174.900 0.140 0.000 0.998 609 G CA -0.209 44.977 45.100 0.142 0.000 0.621 609 G HN 0.751 nan 8.290 nan 0.000 0.519 610 H N 0.210 119.344 119.070 0.107 0.000 2.490 610 H HA 0.689 5.245 4.556 0.000 0.000 0.354 610 H C 0.529 175.936 175.328 0.133 0.000 1.365 610 H CA -0.112 56.023 56.048 0.145 0.000 1.413 610 H CB 0.786 30.679 29.762 0.218 0.000 1.631 610 H HN 0.222 nan 8.280 nan 0.000 0.607 611 R N 0.224 120.892 120.500 0.279 0.000 2.771 611 R HA 0.421 4.761 4.340 0.000 0.000 0.274 611 R C -0.857 175.512 176.300 0.114 0.000 0.987 611 R CA -0.794 55.395 56.100 0.147 0.000 0.908 611 R CB 2.099 32.454 30.300 0.091 0.000 1.213 611 R HN 0.417 nan 8.270 nan 0.000 0.468 612 I N 2.675 123.197 120.570 -0.079 0.000 2.385 612 I HA 0.405 4.575 4.170 0.000 0.000 0.294 612 I C 0.008 176.061 176.117 -0.106 0.000 0.988 612 I CA -0.398 60.733 61.300 -0.282 0.000 1.265 612 I CB 1.580 39.212 38.000 -0.613 0.000 1.388 612 I HN 0.425 nan 8.210 nan 0.000 0.480 613 M N 6.653 126.238 119.600 -0.025 0.000 2.518 613 M HA 0.662 5.142 4.480 0.000 0.000 0.300 613 M C -2.038 174.286 176.300 0.041 0.000 1.175 613 M CA -0.586 54.731 55.300 0.029 0.000 0.890 613 M CB 2.426 35.067 32.600 0.069 0.000 1.710 613 M HN 0.313 nan 8.290 nan 0.000 0.453 614 V N 3.614 123.571 119.914 0.071 0.000 2.588 614 V HA 0.487 4.607 4.120 0.000 0.000 0.304 614 V C -0.968 175.212 176.094 0.144 0.000 1.042 614 V CA -0.545 61.801 62.300 0.076 0.000 0.877 614 V CB 2.036 33.863 31.823 0.008 0.000 0.996 614 V HN 0.881 nan 8.190 nan 0.000 0.425 615 Q N 4.008 123.870 119.800 0.104 0.000 2.353 615 Q HA 0.714 5.054 4.340 0.000 0.000 0.268 615 Q C -1.435 174.598 176.000 0.055 0.000 1.045 615 Q CA -0.560 55.295 55.803 0.087 0.000 0.811 615 Q CB 3.087 31.857 28.738 0.053 0.000 1.305 615 Q HN 0.645 nan 8.270 nan 0.000 0.447 616 I N 2.652 123.247 120.570 0.042 0.000 2.498 616 I HA 0.353 4.523 4.170 0.000 0.000 0.290 616 I C -0.449 175.582 176.117 -0.144 0.000 1.032 616 I CA -0.513 60.807 61.300 0.032 0.000 1.073 616 I CB 1.853 39.953 38.000 0.168 0.000 1.251 616 I HN 0.604 nan 8.210 nan 0.000 0.426 617 Q N 2.873 122.620 119.800 -0.087 0.000 2.626 617 Q HA 0.559 4.899 4.340 0.000 0.000 0.300 617 Q C -1.181 174.855 176.000 0.061 0.000 0.988 617 Q CA -0.927 54.791 55.803 -0.141 0.000 0.761 617 Q CB 1.968 30.609 28.738 -0.162 0.000 1.494 617 Q HN 0.396 nan 8.270 nan 0.000 0.439 618 S N 0.097 115.859 115.700 0.104 0.000 2.730 618 S HA 0.277 4.747 4.470 0.000 0.000 0.244 618 S C -0.655 173.929 174.600 -0.027 0.000 1.022 618 S CA 0.262 58.442 58.200 -0.033 0.000 1.014 618 S CB 0.441 63.571 63.200 -0.116 0.000 0.963 618 S HN 0.615 nan 8.310 nan 0.000 0.540 619 S N -0.175 115.550 115.700 0.040 0.000 2.570 619 S HA 0.742 5.212 4.470 0.000 0.000 0.270 619 S C -2.063 172.713 174.600 0.294 0.000 1.149 619 S CA -0.670 57.622 58.200 0.152 0.000 0.837 619 S CB 1.509 64.801 63.200 0.153 0.000 1.124 619 S HN 0.240 nan 8.310 nan 0.000 0.465 620 W N 2.113 123.551 121.300 0.229 0.000 1.896 620 W HA 0.490 5.150 4.660 -0.000 0.000 0.302 620 W C -2.006 174.668 176.519 0.259 0.000 1.016 620 W CA -1.739 55.768 57.345 0.269 0.000 1.200 620 W CB 0.838 30.465 29.460 0.277 0.000 1.226 620 W HN 0.673 nan 8.180 nan 0.000 0.308 621 F N 4.994 125.124 119.950 0.299 0.000 2.425 621 F HA 0.593 5.120 4.527 0.000 0.000 0.331 621 F C -1.229 174.714 175.800 0.239 0.000 1.085 621 F CA -2.536 55.532 58.000 0.113 0.000 1.028 621 F CB 1.659 40.663 39.000 0.006 0.000 1.177 621 F HN -0.075 nan 8.300 nan 0.000 0.487 622 P HA 0.023 nan 4.420 nan 0.000 0.263 622 P C 1.284 178.003 177.300 -0.968 0.000 1.448 622 P CA 0.228 62.482 63.100 -1.411 0.000 0.983 622 P CB 0.276 31.158 31.700 -1.364 0.000 1.481 623 L N 0.051 120.672 121.223 -1.002 0.000 1.989 623 L HA -0.049 4.291 4.340 0.000 0.000 0.211 623 L C 0.326 176.596 176.870 -1.000 0.000 1.071 623 L CA 1.829 55.953 54.840 -1.193 0.000 0.749 623 L CB -1.270 39.584 42.059 -2.007 0.000 0.890 623 L HN -0.108 nan 8.230 nan 0.000 0.431 624 Y N 0.616 120.655 120.300 -0.436 0.000 2.360 624 Y HA 0.322 4.872 4.550 0.000 0.000 0.337 624 Y C 0.112 176.001 175.900 -0.017 0.000 1.039 624 Y CA -1.846 56.130 58.100 -0.205 0.000 1.109 624 Y CB 0.476 38.931 38.460 -0.007 0.000 1.201 624 Y HN 0.231 nan 8.280 nan 0.000 0.458 625 D N 1.990 122.516 120.400 0.210 0.000 2.399 625 D HA 0.048 4.688 4.640 0.000 0.000 0.241 625 D C -0.428 176.097 176.300 0.374 0.000 1.133 625 D CA -0.420 53.792 54.000 0.354 0.000 0.890 625 D CB 0.669 41.731 40.800 0.438 0.000 1.201 625 D HN 0.469 nan 8.370 nan 0.000 0.432 626 R N 1.239 121.978 120.500 0.399 0.000 2.491 626 R HA 0.121 4.461 4.340 0.000 0.000 0.283 626 R C 0.616 177.066 176.300 0.249 0.000 1.072 626 R CA -0.492 55.773 56.100 0.275 0.000 1.048 626 R CB 0.224 30.622 30.300 0.162 0.000 0.983 626 R HN 0.447 nan 8.270 nan 0.000 0.450 627 N N 3.610 122.387 118.700 0.129 0.000 2.470 627 N HA 0.052 4.792 4.740 0.000 0.000 0.268 627 N C -1.868 173.650 175.510 0.012 0.000 1.136 627 N CA -1.766 51.303 53.050 0.033 0.000 0.961 627 N CB 1.361 39.823 38.487 -0.041 0.000 1.067 627 N HN 0.274 nan 8.380 nan 0.000 0.468 628 P HA -0.069 nan 4.420 nan 0.000 0.225 628 P C -0.240 176.990 177.300 -0.117 0.000 1.148 628 P CA 0.926 63.840 63.100 -0.310 0.000 0.779 628 P CB 0.224 31.578 31.700 -0.578 0.000 0.780 629 Q N -3.013 116.740 119.800 -0.078 0.000 2.460 629 Q HA -0.207 4.133 4.340 0.000 0.000 0.248 629 Q C 0.087 176.078 176.000 -0.016 0.000 0.847 629 Q CA 0.900 56.676 55.803 -0.044 0.000 1.214 629 Q CB -1.446 27.271 28.738 -0.035 0.000 1.523 629 Q HN 0.277 nan 8.270 nan 0.000 0.602 630 K N 0.286 120.666 120.400 -0.033 0.000 2.535 630 K HA 0.336 4.656 4.320 0.000 0.000 0.250 630 K C -1.297 175.313 176.600 0.017 0.000 0.948 630 K CA -0.755 55.534 56.287 0.005 0.000 0.796 630 K CB 0.874 33.355 32.500 -0.030 0.000 1.216 630 K HN 0.008 nan 8.250 nan 0.000 0.432 631 F N 5.692 125.610 119.950 -0.053 0.000 2.519 631 F HA 0.122 4.649 4.527 0.000 0.000 0.375 631 F C -0.241 175.527 175.800 -0.054 0.000 1.084 631 F CA 0.168 58.135 58.000 -0.055 0.000 1.147 631 F CB 0.375 39.353 39.000 -0.037 0.000 1.088 631 F HN 0.200 nan 8.300 nan 0.000 0.555 632 V N 4.977 124.506 119.914 -0.643 0.000 2.864 632 V HA 0.516 4.636 4.120 0.000 0.000 0.314 632 V C -2.162 173.489 176.094 -0.738 0.000 1.073 632 V CA -1.967 60.033 62.300 -0.500 0.000 0.956 632 V CB 1.496 33.149 31.823 -0.283 0.000 1.023 632 V HN 0.509 nan 8.190 nan 0.000 0.435 633 P HA -0.071 nan 4.420 nan 0.000 0.215 633 P C 0.171 177.321 177.300 -0.249 0.000 1.153 633 P CA 1.474 64.391 63.100 -0.305 0.000 0.853 633 P CB 0.117 31.742 31.700 -0.126 0.000 0.788 634 N N -1.184 117.398 118.700 -0.196 0.000 2.533 634 N HA 0.180 4.920 4.740 0.000 0.000 0.289 634 N C 0.527 175.977 175.510 -0.100 0.000 1.103 634 N CA -0.377 52.596 53.050 -0.127 0.000 0.877 634 N CB 0.722 39.161 38.487 -0.081 0.000 1.419 634 N HN -0.199 nan 8.380 nan 0.000 0.517 635 I N 2.235 122.714 120.570 -0.152 0.000 2.567 635 I HA -0.204 3.966 4.170 0.000 0.000 0.257 635 I C 1.446 177.591 176.117 0.048 0.000 1.184 635 I CA 1.013 62.247 61.300 -0.110 0.000 1.451 635 I CB -0.133 37.786 38.000 -0.135 0.000 1.089 635 I HN 0.494 nan 8.210 nan 0.000 0.441 636 F N 0.997 121.020 119.950 0.122 0.000 2.171 636 F HA -0.239 4.288 4.527 0.000 0.000 0.300 636 F C 1.488 177.443 175.800 0.258 0.000 1.090 636 F CA 0.827 58.965 58.000 0.229 0.000 1.293 636 F CB -0.030 39.108 39.000 0.229 0.000 1.013 636 F HN 0.141 nan 8.300 nan 0.000 0.486 637 D N 0.469 121.082 120.400 0.355 0.000 2.491 637 D HA 0.195 4.835 4.640 0.000 0.000 0.228 637 D C 0.397 176.794 176.300 0.162 0.000 1.183 637 D CA 0.110 54.271 54.000 0.269 0.000 0.827 637 D CB -0.172 40.770 40.800 0.236 0.000 0.989 637 D HN 0.012 nan 8.370 nan 0.000 0.494 638 A N 0.963 123.867 122.820 0.141 0.000 2.511 638 A HA 0.108 4.428 4.320 0.000 0.000 0.242 638 A C 0.684 178.358 177.584 0.150 0.000 1.069 638 A CA 0.212 52.267 52.037 0.031 0.000 0.763 638 A CB 0.560 19.464 19.000 -0.159 0.000 1.001 638 A HN -0.004 nan 8.150 nan 0.000 0.498 639 K N 2.748 123.202 120.400 0.091 0.000 2.087 639 K HA 0.322 4.642 4.320 0.000 0.000 0.255 639 K C -1.856 174.894 176.600 0.251 0.000 0.988 639 K CA -1.817 54.562 56.287 0.153 0.000 0.915 639 K CB 0.809 33.360 32.500 0.085 0.000 1.043 639 K HN 0.309 nan 8.250 nan 0.000 0.457 640 P HA -0.250 nan 4.420 nan 0.000 0.217 640 P C 0.691 178.131 177.300 0.233 0.000 1.151 640 P CA 1.443 64.686 63.100 0.238 0.000 0.849 640 P CB 0.128 31.897 31.700 0.114 0.000 0.787 641 A N -0.862 122.042 122.820 0.141 0.000 2.168 641 A HA -0.130 4.190 4.320 0.000 0.000 0.215 641 A C 1.765 179.393 177.584 0.074 0.000 1.152 641 A CA 1.341 53.436 52.037 0.097 0.000 0.716 641 A CB -0.925 18.111 19.000 0.061 0.000 0.794 641 A HN 0.086 nan 8.150 nan 0.000 0.465 642 D N -0.982 119.443 120.400 0.042 0.000 2.183 642 D HA -0.030 4.610 4.640 0.000 0.000 0.203 642 D C -0.208 176.009 176.300 -0.138 0.000 0.969 642 D CA 0.626 54.570 54.000 -0.092 0.000 0.842 642 D CB -0.308 40.361 40.800 -0.218 0.000 0.957 642 D HN 0.543 nan 8.370 nan 0.000 0.484 643 Y N 1.322 121.629 120.300 0.012 0.000 2.677 643 Y HA 0.112 4.662 4.550 0.000 0.000 0.335 643 Y C 0.705 176.607 175.900 0.004 0.000 1.162 643 Y CA 0.248 58.350 58.100 0.002 0.000 1.483 643 Y CB 0.219 38.675 38.460 -0.007 0.000 1.209 643 Y HN -0.324 nan 8.280 nan 0.000 0.528 644 T N 2.990 117.601 114.554 0.096 0.000 2.848 644 T HA 0.410 4.760 4.350 0.000 0.000 0.285 644 T C -0.389 174.347 174.700 0.060 0.000 0.995 644 T CA -0.883 61.256 62.100 0.066 0.000 0.970 644 T CB 1.370 70.257 68.868 0.032 0.000 0.976 644 T HN 0.226 nan 8.240 nan 0.000 0.441 645 V N 2.477 122.427 119.914 0.060 0.000 2.637 645 V HA 0.576 4.696 4.120 0.000 0.000 0.296 645 V C 0.500 176.614 176.094 0.034 0.000 1.046 645 V CA -0.064 62.269 62.300 0.054 0.000 1.066 645 V CB 0.510 32.370 31.823 0.061 0.000 0.968 645 V HN 1.145 nan 8.190 nan 0.000 0.483 646 A N 3.756 126.587 122.820 0.018 0.000 2.498 646 A HA 0.779 5.099 4.320 0.000 0.000 0.298 646 A C -0.302 177.268 177.584 -0.024 0.000 1.075 646 A CA -0.594 51.442 52.037 -0.002 0.000 0.714 646 A CB 1.847 20.836 19.000 -0.018 0.000 1.299 646 A HN 0.647 nan 8.150 nan 0.000 0.407 647 T N 2.962 117.503 114.554 -0.021 0.000 2.749 647 T HA 0.456 4.806 4.350 0.000 0.000 0.287 647 T C -0.541 174.113 174.700 -0.077 0.000 0.970 647 T CA -0.311 61.762 62.100 -0.045 0.000 0.980 647 T CB 0.664 69.531 68.868 -0.001 0.000 0.924 647 T HN 0.567 nan 8.240 nan 0.000 0.456 648 Q N 1.978 121.632 119.800 -0.243 0.000 2.245 648 Q HA 0.579 4.919 4.340 0.000 0.000 0.256 648 Q C -0.678 175.247 176.000 -0.124 0.000 0.942 648 Q CA -0.598 55.071 55.803 -0.223 0.000 0.896 648 Q CB 1.918 30.262 28.738 -0.657 0.000 1.272 648 Q HN 0.485 nan 8.270 nan 0.000 0.442 649 S N 2.385 118.125 115.700 0.066 0.000 2.605 649 S HA 0.526 4.996 4.470 0.000 0.000 0.308 649 S C -0.295 174.384 174.600 0.131 0.000 1.113 649 S CA -0.664 57.597 58.200 0.103 0.000 1.049 649 S CB 0.833 64.088 63.200 0.091 0.000 1.001 649 S HN 0.373 nan 8.310 nan 0.000 0.480 650 I N 3.325 124.007 120.570 0.187 0.000 2.312 650 I HA 0.271 4.441 4.170 0.000 0.000 0.290 650 I C 0.306 176.514 176.117 0.152 0.000 1.008 650 I CA -0.404 60.998 61.300 0.171 0.000 1.226 650 I CB 0.516 38.665 38.000 0.248 0.000 1.371 650 I HN 0.715 nan 8.210 nan 0.000 0.468 651 H N 6.270 125.360 119.070 0.033 0.000 2.582 651 H HA 0.404 4.960 4.556 0.000 0.000 0.345 651 H C -0.525 174.781 175.328 -0.038 0.000 1.104 651 H CA 0.158 56.167 56.048 -0.064 0.000 1.390 651 H CB 0.592 30.306 29.762 -0.080 0.000 1.461 651 H HN 0.691 nan 8.280 nan 0.000 0.551 652 H N 1.910 120.788 119.070 -0.320 0.000 2.717 652 H HA 0.608 5.164 4.556 0.000 0.000 0.366 652 H C 0.211 175.425 175.328 -0.189 0.000 1.132 652 H CA -0.720 55.225 56.048 -0.172 0.000 1.180 652 H CB 1.245 30.910 29.762 -0.161 0.000 1.678 652 H HN 1.010 nan 8.280 nan 0.000 0.537 653 G N 0.247 109.077 108.800 0.049 0.000 2.829 653 G HA2 0.320 4.280 3.960 0.000 0.000 0.628 653 G HA3 0.320 4.280 3.960 0.000 0.000 0.628 653 G C 0.477 175.422 174.900 0.075 0.000 1.412 653 G CA 0.328 45.448 45.100 0.034 0.000 0.864 653 G HN 2.190 nan 8.290 nan 0.000 0.544 654 G N -0.363 108.499 108.800 0.104 0.000 2.552 654 G HA2 -0.181 3.779 3.960 0.000 0.000 0.265 654 G HA3 -0.181 3.779 3.960 0.000 0.000 0.265 654 G C 0.943 175.859 174.900 0.028 0.000 1.234 654 G CA 1.080 46.204 45.100 0.040 0.000 0.944 654 G HN 1.547 nan 8.290 nan 0.000 0.568 655 K N 0.948 121.275 120.400 -0.121 0.000 2.432 655 K HA 0.113 4.433 4.320 0.000 0.000 0.196 655 K C 1.083 177.375 176.600 -0.513 0.000 1.038 655 K CA 1.247 57.406 56.287 -0.214 0.000 0.986 655 K CB 0.134 32.516 32.500 -0.197 0.000 0.782 655 K HN 0.523 nan 8.250 nan 0.000 0.485 656 E N 0.650 120.452 120.200 -0.664 0.000 3.582 656 E HA 0.188 4.538 4.350 0.000 0.000 0.217 656 E C -1.213 174.898 176.600 -0.816 0.000 1.092 656 E CA -0.383 55.159 56.400 -1.429 0.000 1.365 656 E CB 1.266 30.290 29.700 -1.127 0.000 1.278 656 E HN 0.130 nan 8.360 nan 0.000 0.439 657 A N 1.452 123.991 122.820 -0.469 0.000 2.544 657 A HA 0.160 4.480 4.320 0.000 0.000 0.301 657 A C 0.508 178.188 177.584 0.160 0.000 1.368 657 A CA -0.161 51.836 52.037 -0.066 0.000 1.045 657 A CB -0.209 18.685 19.000 -0.177 0.000 1.129 657 A HN 0.119 nan 8.150 nan 0.000 0.540 658 T N 2.544 117.238 114.554 0.233 0.000 2.928 658 T HA 0.398 4.748 4.350 0.000 0.000 0.305 658 T C 0.684 175.398 174.700 0.023 0.000 1.035 658 T CA 1.079 63.307 62.100 0.215 0.000 1.145 658 T CB 0.149 69.078 68.868 0.102 0.000 0.963 658 T HN 1.289 nan 8.240 nan 0.000 0.545 659 S N 2.229 117.881 115.700 -0.080 0.000 2.636 659 S HA 0.622 5.092 4.470 0.000 0.000 0.268 659 S C -1.721 172.729 174.600 -0.249 0.000 1.159 659 S CA -1.099 56.955 58.200 -0.244 0.000 0.815 659 S CB 1.151 64.054 63.200 -0.496 0.000 1.130 659 S HN 0.411 nan 8.310 nan 0.000 0.471 660 I N 2.174 122.578 120.570 -0.276 0.000 2.355 660 I HA 0.331 4.501 4.170 0.000 0.000 0.288 660 I C -0.499 175.488 176.117 -0.216 0.000 0.999 660 I CA -0.690 60.471 61.300 -0.232 0.000 1.163 660 I CB 1.156 39.047 38.000 -0.182 0.000 1.316 660 I HN 0.661 nan 8.210 nan 0.000 0.454 661 L N 6.931 128.038 121.223 -0.194 0.000 2.454 661 L HA 0.251 4.591 4.340 0.000 0.000 0.284 661 L C 0.139 176.955 176.870 -0.091 0.000 1.139 661 L CA -0.065 54.691 54.840 -0.140 0.000 0.911 661 L CB -0.194 41.796 42.059 -0.114 0.000 1.262 661 L HN 0.343 nan 8.230 nan 0.000 0.453 662 L N 6.335 127.533 121.223 -0.042 0.000 2.326 662 L HA 0.302 4.642 4.340 0.000 0.000 0.278 662 L C -1.635 175.243 176.870 0.012 0.000 1.092 662 L CA -1.679 53.172 54.840 0.019 0.000 0.810 662 L CB 1.245 43.367 42.059 0.106 0.000 1.153 662 L HN 0.348 nan 8.230 nan 0.000 0.439 663 P HA 0.068 nan 4.420 nan 0.000 0.220 663 P C -0.244 177.049 177.300 -0.011 0.000 1.806 663 P CA -0.127 62.948 63.100 -0.042 0.000 0.976 663 P CB -0.035 31.616 31.700 -0.082 0.000 1.952 664 V N 2.568 122.487 119.914 0.008 0.000 2.585 664 V HA 0.080 4.200 4.120 0.000 0.000 0.296 664 V C 1.122 177.197 176.094 -0.032 0.000 1.035 664 V CA 0.176 62.478 62.300 0.004 0.000 1.084 664 V CB 1.005 32.807 31.823 -0.035 0.000 0.953 664 V HN 0.265 nan 8.190 nan 0.000 0.483 665 V N 2.651 122.553 119.914 -0.020 0.000 3.074 665 V HA 0.698 4.818 4.120 0.000 0.000 0.314 665 V C -0.296 175.788 176.094 -0.018 0.000 1.117 665 V CA -1.323 60.961 62.300 -0.027 0.000 1.014 665 V CB 1.837 33.646 31.823 -0.023 0.000 1.057 665 V HN 0.713 nan 8.190 nan 0.000 0.438 666 K N 0.000 120.391 120.400 -0.014 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543