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_B 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 3.794 124.216 120.400 0.036 0.000 2.338 51 D HA 0.130 4.770 4.640 0.000 0.000 0.255 51 D C -1.259 175.057 176.300 0.026 0.000 1.237 51 D CA -2.100 51.894 54.000 -0.009 0.000 0.883 51 D CB 1.368 42.178 40.800 0.016 0.000 1.087 51 D HN 0.313 nan 8.370 nan 0.000 0.485 52 P HA -0.069 nan 4.420 nan 0.000 0.226 52 P C 1.381 178.699 177.300 0.031 0.000 1.153 52 P CA 0.496 63.607 63.100 0.019 0.000 0.777 52 P CB 0.396 32.077 31.700 -0.032 0.000 0.794 53 L N -1.510 119.723 121.223 0.016 0.000 2.591 53 L HA 0.103 4.443 4.340 0.000 0.000 0.228 53 L C 1.887 178.771 176.870 0.023 0.000 1.133 53 L CA 0.626 55.476 54.840 0.016 0.000 0.880 53 L CB -0.189 41.874 42.059 0.007 0.000 1.033 53 L HN -0.034 nan 8.230 nan 0.000 0.450 54 S N -1.928 113.793 115.700 0.035 0.000 3.019 54 S HA 0.180 4.650 4.470 0.000 0.000 0.258 54 S C 0.369 174.997 174.600 0.046 0.000 1.082 54 S CA -0.206 58.014 58.200 0.035 0.000 0.836 54 S CB 1.069 64.288 63.200 0.031 0.000 0.834 54 S HN -0.067 nan 8.310 nan 0.000 0.457 55 V N 3.330 123.291 119.914 0.079 0.000 2.347 55 V HA 0.558 4.678 4.120 0.000 0.000 0.280 55 V C -0.548 175.612 176.094 0.110 0.000 1.021 55 V CA -0.488 61.865 62.300 0.088 0.000 0.847 55 V CB 1.163 33.056 31.823 0.117 0.000 0.990 55 V HN 0.265 nan 8.190 nan 0.000 0.444 56 Q N 3.566 123.396 119.800 0.051 0.000 2.394 56 Q HA 0.388 4.728 4.340 0.000 0.000 0.259 56 Q C 0.590 176.594 176.000 0.007 0.000 1.021 56 Q CA -0.072 55.759 55.803 0.046 0.000 0.805 56 Q CB 1.524 30.282 28.738 0.032 0.000 1.226 56 Q HN 0.863 nan 8.270 nan 0.000 0.476 57 T N 0.027 114.579 114.554 -0.003 0.000 3.092 57 T HA 0.461 4.811 4.350 0.000 0.000 0.258 57 T C 0.698 175.392 174.700 -0.009 0.000 1.031 57 T CA 0.169 62.240 62.100 -0.048 0.000 0.925 57 T CB 0.549 69.326 68.868 -0.152 0.000 1.036 57 T HN 0.453 nan 8.240 nan 0.000 0.544 58 G N 1.010 109.821 108.800 0.019 0.000 3.039 58 G HA2 0.565 4.525 3.960 0.000 0.000 0.159 58 G HA3 0.565 4.525 3.960 0.000 0.000 0.159 58 G C -0.963 173.946 174.900 0.016 0.000 1.284 58 G CA -0.557 44.556 45.100 0.022 0.000 0.996 58 G HN 0.343 nan 8.290 nan 0.000 0.592 59 S N -1.052 114.659 115.700 0.018 0.000 2.501 59 S HA 0.394 4.864 4.470 0.000 0.000 0.301 59 S C -0.136 174.473 174.600 0.016 0.000 1.096 59 S CA -0.536 57.672 58.200 0.014 0.000 1.063 59 S CB 1.669 64.876 63.200 0.011 0.000 1.042 59 S HN 0.313 nan 8.310 nan 0.000 0.494 60 D N 2.660 123.068 120.400 0.013 0.000 2.355 60 D HA 0.212 4.852 4.640 0.000 0.000 0.218 60 D C 0.023 176.330 176.300 0.013 0.000 1.004 60 D CA 0.525 54.534 54.000 0.014 0.000 0.880 60 D CB -0.001 40.806 40.800 0.012 0.000 0.911 60 D HN 0.543 nan 8.370 nan 0.000 0.528 61 I N 2.304 122.881 120.570 0.011 0.000 2.312 61 I HA 0.172 4.342 4.170 0.000 0.000 0.291 61 I C -1.997 174.127 176.117 0.012 0.000 1.031 61 I CA -1.876 59.430 61.300 0.010 0.000 1.293 61 I CB 1.099 39.103 38.000 0.007 0.000 1.403 61 I HN -0.301 nan 8.210 nan 0.000 0.484 62 P HA 0.064 nan 4.420 nan 0.000 0.265 62 P C 0.474 177.784 177.300 0.016 0.000 1.193 62 P CA -0.102 63.009 63.100 0.018 0.000 0.765 62 P CB 1.017 32.730 31.700 0.021 0.000 0.823 63 A N 2.588 125.420 122.820 0.020 0.000 1.902 63 A HA -0.033 4.287 4.320 0.000 0.000 0.217 63 A C 1.048 178.641 177.584 0.016 0.000 1.181 63 A CA 1.834 53.882 52.037 0.018 0.000 0.623 63 A CB -0.692 18.322 19.000 0.023 0.000 0.818 63 A HN 0.617 nan 8.150 nan 0.000 0.443 64 S N -0.865 114.850 115.700 0.025 0.000 2.594 64 S HA 0.560 5.030 4.470 0.000 0.000 0.296 64 S C -0.936 173.673 174.600 0.016 0.000 1.124 64 S CA -0.537 57.672 58.200 0.015 0.000 1.011 64 S CB 1.765 64.998 63.200 0.054 0.000 1.016 64 S HN 0.599 nan 8.310 nan 0.000 0.485 65 V N 3.371 123.258 119.914 -0.045 0.000 2.350 65 V HA 0.480 4.600 4.120 0.000 0.000 0.276 65 V C -0.593 175.433 176.094 -0.112 0.000 1.028 65 V CA -0.576 61.704 62.300 -0.034 0.000 0.860 65 V CB 0.239 32.044 31.823 -0.029 0.000 0.990 65 V HN 1.027 nan 8.190 nan 0.000 0.453 66 H N 4.085 123.161 119.070 0.010 0.000 2.632 66 H HA 0.516 5.072 4.556 0.000 0.000 0.258 66 H C -0.113 175.218 175.328 0.005 0.000 1.278 66 H CA -0.443 55.610 56.048 0.008 0.000 1.352 66 H CB 1.124 30.890 29.762 0.007 0.000 1.418 66 H HN 0.648 nan 8.280 nan 0.000 0.513 67 M N 4.079 123.724 119.600 0.077 0.000 2.219 67 M HA 0.121 4.601 4.480 0.000 0.000 0.353 67 M C -1.528 174.804 176.300 0.054 0.000 1.304 67 M CA -1.465 53.866 55.300 0.052 0.000 1.115 67 M CB 0.991 33.606 32.600 0.024 0.000 1.664 67 M HN 0.387 nan 8.290 nan 0.000 0.459 68 P HA 0.092 nan 4.420 nan 0.000 0.255 68 P C 0.457 177.761 177.300 0.006 0.000 1.248 68 P CA 0.490 63.603 63.100 0.023 0.000 0.807 68 P CB -0.207 31.504 31.700 0.017 0.000 1.150 69 T N -3.886 110.670 114.554 0.004 0.000 3.160 69 T HA -0.037 4.313 4.350 0.000 0.000 0.257 69 T C 0.980 175.660 174.700 -0.034 0.000 1.147 69 T CA 0.588 62.683 62.100 -0.008 0.000 1.064 69 T CB -0.675 68.194 68.868 0.002 0.000 0.949 69 T HN -0.007 nan 8.240 nan 0.000 0.526 70 D N 1.691 122.071 120.400 -0.033 0.000 2.224 70 D HA -0.048 4.592 4.640 0.000 0.000 0.205 70 D C 2.176 178.422 176.300 -0.091 0.000 0.965 70 D CA 0.678 54.636 54.000 -0.070 0.000 0.852 70 D CB -0.089 40.693 40.800 -0.031 0.000 0.947 70 D HN 0.380 nan 8.370 nan 0.000 0.494 71 Q N -0.138 119.630 119.800 -0.053 0.000 2.425 71 Q HA 0.060 4.400 4.340 0.000 0.000 0.204 71 Q C 1.329 177.299 176.000 -0.051 0.000 0.933 71 Q CA 0.287 56.061 55.803 -0.048 0.000 0.939 71 Q CB 0.231 28.953 28.738 -0.026 0.000 1.044 71 Q HN 0.446 nan 8.270 nan 0.000 0.513 72 Q N 0.408 120.175 119.800 -0.055 0.000 2.356 72 Q HA 0.107 4.447 4.340 0.000 0.000 0.205 72 Q C -0.055 175.910 176.000 -0.058 0.000 0.901 72 Q CA -0.078 55.701 55.803 -0.041 0.000 0.938 72 Q CB 0.595 29.319 28.738 -0.022 0.000 1.081 72 Q HN 0.241 nan 8.270 nan 0.000 0.517 73 R N 1.087 121.510 120.500 -0.128 0.000 2.560 73 R HA 0.026 4.366 4.340 0.000 0.000 0.270 73 R C 0.182 176.402 176.300 -0.134 0.000 1.074 73 R CA 0.082 56.058 56.100 -0.206 0.000 1.140 73 R CB 0.380 30.320 30.300 -0.600 0.000 1.073 73 R HN 0.067 nan 8.270 nan 0.000 0.527 74 D N 0.380 120.768 120.400 -0.020 0.000 2.388 74 D HA 0.018 4.658 4.640 0.000 0.000 0.221 74 D C -0.497 175.889 176.300 0.144 0.000 1.133 74 D CA -0.132 53.906 54.000 0.062 0.000 0.831 74 D CB -0.162 40.700 40.800 0.103 0.000 0.962 74 D HN 0.504 nan 8.370 nan 0.000 0.502 75 Y N -2.172 118.144 120.300 0.027 0.000 2.625 75 Y HA 0.676 5.226 4.550 0.000 0.000 0.338 75 Y C -1.640 174.279 175.900 0.032 0.000 1.123 75 Y CA -1.769 56.350 58.100 0.032 0.000 1.046 75 Y CB 0.999 39.482 38.460 0.038 0.000 1.299 75 Y HN -0.238 nan 8.280 nan 0.000 0.464 76 I N 2.208 122.896 120.570 0.197 0.000 2.509 76 I HA 0.424 4.595 4.170 0.000 0.000 0.293 76 I C -0.821 175.447 176.117 0.251 0.000 1.020 76 I CA -0.853 60.513 61.300 0.110 0.000 1.088 76 I CB 2.183 40.222 38.000 0.065 0.000 1.267 76 I HN 0.601 nan 8.210 nan 0.000 0.430 77 K N 5.894 126.421 120.400 0.211 0.000 2.274 77 K HA 0.566 4.886 4.320 0.000 0.000 0.262 77 K C -0.846 175.825 176.600 0.119 0.000 0.961 77 K CA -0.751 55.658 56.287 0.204 0.000 0.833 77 K CB 1.315 33.966 32.500 0.253 0.000 1.102 77 K HN 0.504 nan 8.250 nan 0.000 0.436 78 R N 2.893 123.449 120.500 0.093 0.000 2.437 78 R HA 0.216 4.556 4.340 0.000 0.000 0.310 78 R C -1.065 175.244 176.300 0.015 0.000 0.955 78 R CA -0.518 55.622 56.100 0.068 0.000 0.851 78 R CB 1.365 31.715 30.300 0.084 0.000 1.161 78 R HN 0.623 nan 8.270 nan 0.000 0.446 79 E N 3.351 123.553 120.200 0.003 0.000 2.145 79 E HA 0.344 4.694 4.350 0.000 0.000 0.270 79 E C -0.985 175.567 176.600 -0.081 0.000 0.906 79 E CA -0.822 55.522 56.400 -0.094 0.000 0.761 79 E CB 2.038 31.758 29.700 0.032 0.000 1.116 79 E HN 0.336 nan 8.360 nan 0.000 0.408 80 V N -0.254 119.536 119.914 -0.206 0.000 2.971 80 V HA 0.506 4.626 4.120 0.000 0.000 0.309 80 V C -0.529 175.412 176.094 -0.254 0.000 1.130 80 V CA -1.178 61.019 62.300 -0.172 0.000 0.964 80 V CB 2.018 33.732 31.823 -0.182 0.000 1.029 80 V HN 0.573 nan 8.190 nan 0.000 0.427 81 M N 3.309 122.809 119.600 -0.167 0.000 2.206 81 M HA 0.421 4.901 4.480 0.000 0.000 0.353 81 M C -0.509 175.618 176.300 -0.289 0.000 1.242 81 M CA -0.414 54.801 55.300 -0.141 0.000 1.179 81 M CB 0.721 33.307 32.600 -0.022 0.000 1.374 81 M HN 0.602 nan 8.290 nan 0.000 0.427 82 V N 6.986 126.633 119.914 -0.444 0.000 2.455 82 V HA 0.220 4.340 4.120 0.000 0.000 0.273 82 V C -1.990 173.933 176.094 -0.285 0.000 1.045 82 V CA -1.264 60.648 62.300 -0.647 0.000 0.976 82 V CB 0.642 31.990 31.823 -0.791 0.000 0.993 82 V HN 0.549 nan 8.190 nan 0.000 0.475 83 P HA 0.290 nan 4.420 nan 0.000 0.281 83 P C -0.251 177.057 177.300 0.014 0.000 1.252 83 P CA -0.335 62.743 63.100 -0.037 0.000 0.778 83 P CB 0.601 32.315 31.700 0.024 0.000 0.895 84 M N 2.955 122.574 119.600 0.031 0.000 2.219 84 M HA 0.262 4.742 4.480 0.000 0.000 0.280 84 M C 2.025 178.366 176.300 0.068 0.000 1.189 84 M CA -0.458 54.881 55.300 0.064 0.000 1.010 84 M CB 0.237 32.874 32.600 0.062 0.000 1.422 84 M HN 0.399 nan 8.290 nan 0.000 0.504 85 R N 0.667 121.210 120.500 0.071 0.000 2.193 85 R HA -0.142 4.198 4.340 0.000 0.000 0.229 85 R C 0.448 176.767 176.300 0.031 0.000 1.110 85 R CA 1.810 57.939 56.100 0.049 0.000 0.988 85 R CB -0.566 29.747 30.300 0.022 0.000 0.871 85 R HN 0.672 nan 8.270 nan 0.000 0.458 86 D N -0.725 119.695 120.400 0.032 0.000 2.340 86 D HA 0.102 4.742 4.640 0.000 0.000 0.217 86 D C 1.135 177.453 176.300 0.029 0.000 1.081 86 D CA 0.540 54.556 54.000 0.027 0.000 0.842 86 D CB 0.518 41.334 40.800 0.027 0.000 0.934 86 D HN 0.417 nan 8.370 nan 0.000 0.511 87 G N -0.175 108.645 108.800 0.034 0.000 2.217 87 G HA2 -0.273 3.687 3.960 0.000 0.000 0.246 87 G HA3 -0.273 3.687 3.960 0.000 0.000 0.246 87 G C 0.228 175.145 174.900 0.030 0.000 0.990 87 G CA 0.107 45.226 45.100 0.032 0.000 0.627 87 G HN 0.364 nan 8.290 nan 0.000 0.522 88 V N 2.095 122.029 119.914 0.033 0.000 2.521 88 V HA 0.328 4.448 4.120 0.000 0.000 0.286 88 V C 0.771 176.880 176.094 0.025 0.000 1.034 88 V CA 0.434 62.754 62.300 0.033 0.000 1.045 88 V CB 1.190 33.040 31.823 0.044 0.000 0.974 88 V HN 0.353 nan 8.190 nan 0.000 0.480 89 K N 5.789 126.200 120.400 0.019 0.000 2.156 89 K HA 0.634 4.954 4.320 0.000 0.000 0.271 89 K C -0.949 175.658 176.600 0.012 0.000 0.995 89 K CA -0.457 55.827 56.287 -0.004 0.000 0.890 89 K CB 1.411 33.907 32.500 -0.007 0.000 1.073 89 K HN 0.499 nan 8.250 nan 0.000 0.454 90 L N 3.292 124.504 121.223 -0.018 0.000 2.322 90 L HA 0.326 4.666 4.340 0.000 0.000 0.281 90 L C -0.479 176.400 176.870 0.015 0.000 1.014 90 L CA -1.193 53.660 54.840 0.021 0.000 0.815 90 L CB 0.717 42.785 42.059 0.014 0.000 1.247 90 L HN 0.579 nan 8.230 nan 0.000 0.421 91 Y N 2.735 123.018 120.300 -0.029 0.000 2.569 91 Y HA 0.136 4.686 4.550 0.000 0.000 0.332 91 Y C -0.162 175.722 175.900 -0.026 0.000 1.120 91 Y CA 0.176 58.260 58.100 -0.027 0.000 1.416 91 Y CB 0.560 39.026 38.460 0.010 0.000 1.210 91 Y HN 0.482 nan 8.280 nan 0.000 0.528 92 T N 6.582 120.800 114.554 -0.561 0.000 2.841 92 T HA 0.468 4.818 4.350 0.000 0.000 0.285 92 T C -1.065 173.337 174.700 -0.497 0.000 0.991 92 T CA -0.712 61.138 62.100 -0.416 0.000 0.966 92 T CB 1.053 69.732 68.868 -0.314 0.000 0.962 92 T HN 0.381 nan 8.240 nan 0.000 0.438 93 V N 4.815 124.556 119.914 -0.288 0.000 2.370 93 V HA 0.512 4.632 4.120 0.000 0.000 0.283 93 V C -0.194 175.894 176.094 -0.010 0.000 1.023 93 V CA -0.775 61.436 62.300 -0.148 0.000 0.857 93 V CB 0.985 32.800 31.823 -0.014 0.000 0.985 93 V HN 0.801 nan 8.190 nan 0.000 0.443 94 I N 5.195 125.772 120.570 0.011 0.000 2.382 94 I HA 0.425 4.595 4.170 0.000 0.000 0.286 94 I C -0.552 175.613 176.117 0.081 0.000 1.002 94 I CA -0.707 60.626 61.300 0.054 0.000 1.135 94 I CB 1.915 39.960 38.000 0.075 0.000 1.288 94 I HN 0.293 nan 8.210 nan 0.000 0.448 95 V N 7.648 127.611 119.914 0.082 0.000 2.328 95 V HA 0.448 4.568 4.120 0.000 0.000 0.278 95 V C 0.028 176.181 176.094 0.097 0.000 1.021 95 V CA -0.366 61.991 62.300 0.094 0.000 0.838 95 V CB 1.119 32.958 31.823 0.027 0.000 0.999 95 V HN 0.484 nan 8.190 nan 0.000 0.447 96 I N 7.134 127.784 120.570 0.135 0.000 2.378 96 I HA 0.431 4.601 4.170 0.000 0.000 0.291 96 I C -2.450 173.753 176.117 0.145 0.000 0.992 96 I CA -2.268 59.099 61.300 0.110 0.000 1.154 96 I CB 2.300 40.349 38.000 0.081 0.000 1.315 96 I HN 0.386 nan 8.210 nan 0.000 0.448 97 P HA 0.037 nan 4.420 nan 0.000 0.268 97 P C -0.669 176.687 177.300 0.093 0.000 1.205 97 P CA -0.422 62.754 63.100 0.126 0.000 0.771 97 P CB 0.495 32.250 31.700 0.092 0.000 0.858 98 K N 3.509 123.962 120.400 0.088 0.000 2.524 98 K HA -0.067 4.253 4.320 0.000 0.000 0.279 98 K C 0.893 177.512 176.600 0.031 0.000 0.993 98 K CA 0.590 56.904 56.287 0.046 0.000 1.030 98 K CB -0.677 31.841 32.500 0.029 0.000 0.891 98 K HN 0.611 nan 8.250 nan 0.000 0.488 99 N N 0.939 119.651 118.700 0.019 0.000 2.708 99 N HA -0.289 4.451 4.740 0.000 0.000 0.251 99 N C -1.101 174.414 175.510 0.008 0.000 1.017 99 N CA 0.578 53.634 53.050 0.010 0.000 0.742 99 N CB -1.436 37.054 38.487 0.005 0.000 0.943 99 N HN 0.406 nan 8.380 nan 0.000 0.539 100 A N 0.611 123.438 122.820 0.013 0.000 2.276 100 A HA 0.631 4.951 4.320 0.000 0.000 0.300 100 A C 0.392 177.969 177.584 -0.011 0.000 1.235 100 A CA -0.535 51.504 52.037 0.004 0.000 0.867 100 A CB 0.891 19.900 19.000 0.016 0.000 1.137 100 A HN 0.347 nan 8.150 nan 0.000 0.527 101 R N 1.576 122.062 120.500 -0.023 0.000 2.807 101 R HA 0.394 4.734 4.340 0.000 0.000 0.276 101 R C -0.337 175.932 176.300 -0.050 0.000 0.979 101 R CA -0.944 55.135 56.100 -0.034 0.000 0.928 101 R CB 0.776 31.058 30.300 -0.030 0.000 1.191 101 R HN 0.929 nan 8.270 nan 0.000 0.471 102 N N -0.542 118.121 118.700 -0.062 0.000 2.740 102 N HA -0.221 4.519 4.740 0.000 0.000 0.248 102 N C -1.185 174.263 175.510 -0.103 0.000 1.062 102 N CA 1.046 54.049 53.050 -0.079 0.000 0.704 102 N CB -0.363 38.082 38.487 -0.069 0.000 0.968 102 N HN 0.731 nan 8.380 nan 0.000 0.547 103 A N 0.191 122.945 122.820 -0.109 0.000 2.306 103 A HA 0.685 5.005 4.320 0.000 0.000 0.314 103 A C -2.160 175.303 177.584 -0.203 0.000 1.164 103 A CA -1.266 50.676 52.037 -0.157 0.000 0.822 103 A CB 0.969 19.904 19.000 -0.108 0.000 1.130 103 A HN 0.109 nan 8.150 nan 0.000 0.496 104 P HA 0.353 nan 4.420 nan 0.000 0.274 104 P C -0.776 176.394 177.300 -0.218 0.000 1.237 104 P CA 0.010 62.908 63.100 -0.338 0.000 0.793 104 P CB 0.791 32.143 31.700 -0.579 0.000 0.977 105 I N 1.565 122.077 120.570 -0.095 0.000 2.377 105 I HA 0.255 4.425 4.170 0.000 0.000 0.293 105 I C 0.057 176.198 176.117 0.040 0.000 0.987 105 I CA -0.970 60.319 61.300 -0.018 0.000 1.185 105 I CB 1.555 39.527 38.000 -0.047 0.000 1.341 105 I HN 0.155 nan 8.210 nan 0.000 0.455 106 L N 8.022 129.266 121.223 0.034 0.000 2.276 106 L HA 0.519 4.859 4.340 0.000 0.000 0.286 106 L C -1.024 175.741 176.870 -0.176 0.000 1.024 106 L CA -0.350 54.435 54.840 -0.092 0.000 0.826 106 L CB 1.246 43.104 42.059 -0.334 0.000 1.211 106 L HN 0.478 nan 8.230 nan 0.000 0.422 107 L N 4.716 125.852 121.223 -0.144 0.000 2.329 107 L HA 0.797 5.137 4.340 0.000 0.000 0.279 107 L C -0.643 176.107 176.870 -0.199 0.000 1.014 107 L CA 0.390 55.126 54.840 -0.173 0.000 0.814 107 L CB 2.125 44.129 42.059 -0.092 0.000 1.257 107 L HN 0.641 nan 8.230 nan 0.000 0.424 108 T N 4.651 119.032 114.554 -0.288 0.000 2.928 108 T HA 0.535 4.885 4.350 0.000 0.000 0.296 108 T C -0.793 173.895 174.700 -0.019 0.000 1.000 108 T CA -0.599 61.385 62.100 -0.192 0.000 0.989 108 T CB 1.181 69.812 68.868 -0.394 0.000 1.005 108 T HN 0.565 nan 8.240 nan 0.000 0.442 109 R N 1.730 122.287 120.500 0.095 0.000 2.295 109 R HA 0.716 5.056 4.340 0.000 0.000 0.324 109 R C -0.305 176.133 176.300 0.231 0.000 0.968 109 R CA -0.766 55.428 56.100 0.157 0.000 0.837 109 R CB 1.702 32.090 30.300 0.146 0.000 1.133 109 R HN 0.509 nan 8.270 nan 0.000 0.450 110 T N 2.177 116.860 114.554 0.215 0.000 2.900 110 T HA 0.432 4.782 4.350 0.000 0.000 0.295 110 T C -2.323 172.355 174.700 -0.037 0.000 1.044 110 T CA -2.148 60.043 62.100 0.150 0.000 0.995 110 T CB 1.854 70.878 68.868 0.261 0.000 1.072 110 T HN 0.354 nan 8.240 nan 0.000 0.473 111 P HA 0.245 nan 4.420 nan 0.000 0.266 111 P C -0.499 176.538 177.300 -0.438 0.000 1.381 111 P CA -0.063 62.718 63.100 -0.532 0.000 0.940 111 P CB -0.115 30.942 31.700 -1.072 0.000 1.435 112 Y N 0.274 120.568 120.300 -0.010 0.000 2.774 112 Y HA 0.350 4.900 4.550 0.000 0.000 0.305 112 Y C 0.464 176.162 175.900 -0.337 0.000 1.067 112 Y CA -1.515 56.540 58.100 -0.075 0.000 1.304 112 Y CB -0.996 37.470 38.460 0.009 0.000 1.209 112 Y HN -0.051 nan 8.280 nan 0.000 0.543 113 N N 0.502 118.892 118.700 -0.517 0.000 2.411 113 N HA -0.204 4.536 4.740 0.000 0.000 0.286 113 N C 0.775 176.112 175.510 -0.289 0.000 1.382 113 N CA 0.500 53.071 53.050 -0.798 0.000 0.630 113 N CB -0.498 37.243 38.487 -1.244 0.000 0.904 113 N HN 0.505 nan 8.380 nan 0.000 0.516 114 A N 3.901 126.681 122.820 -0.066 0.000 1.908 114 A HA -0.221 4.099 4.320 0.000 0.000 0.218 114 A C 1.993 179.583 177.584 0.009 0.000 1.181 114 A CA 2.101 54.169 52.037 0.051 0.000 0.627 114 A CB -0.365 18.782 19.000 0.244 0.000 0.818 114 A HN 0.768 nan 8.150 nan 0.000 0.445 115 K N -0.794 119.667 120.400 0.102 0.000 2.063 115 K HA -0.127 4.193 4.320 0.000 0.000 0.208 115 K C 1.962 178.529 176.600 -0.056 0.000 1.048 115 K CA 1.541 57.885 56.287 0.095 0.000 0.928 115 K CB -0.493 32.047 32.500 0.066 0.000 0.713 115 K HN 0.403 nan 8.250 nan 0.000 0.442 116 G N 0.537 109.250 108.800 -0.145 0.000 2.408 116 G HA2 -0.162 3.798 3.960 0.000 0.000 0.215 116 G HA3 -0.162 3.798 3.960 0.000 0.000 0.215 116 G C 1.414 176.185 174.900 -0.216 0.000 1.156 116 G CA -0.010 44.993 45.100 -0.160 0.000 0.793 116 G HN 0.136 nan 8.290 nan 0.000 0.535 117 R N 0.954 121.251 120.500 -0.339 0.000 2.096 117 R HA 0.023 4.363 4.340 0.000 0.000 0.235 117 R C 2.322 178.226 176.300 -0.660 0.000 1.127 117 R CA 1.120 56.862 56.100 -0.597 0.000 0.968 117 R CB -0.786 28.890 30.300 -1.040 0.000 0.861 117 R HN 0.323 nan 8.270 nan 0.000 0.440 118 A N 0.812 123.342 122.820 -0.484 0.000 2.411 118 A HA 0.112 4.432 4.320 0.000 0.000 0.251 118 A C 0.310 177.817 177.584 -0.128 0.000 1.317 118 A CA -0.070 51.829 52.037 -0.229 0.000 0.904 118 A CB -0.077 18.901 19.000 -0.036 0.000 0.993 118 A HN 0.091 nan 8.150 nan 0.000 0.504 119 N N 0.008 118.628 118.700 -0.133 0.000 2.622 119 N HA 0.094 4.834 4.740 0.000 0.000 0.304 119 N C 1.064 176.535 175.510 -0.065 0.000 1.844 119 N CA -0.250 52.757 53.050 -0.071 0.000 0.886 119 N CB 0.172 38.634 38.487 -0.042 0.000 1.366 119 N HN 0.427 nan 8.380 nan 0.000 0.491 120 R N -0.178 120.277 120.500 -0.075 0.000 2.113 120 R HA -0.068 4.272 4.340 0.000 0.000 0.244 120 R C -0.168 176.120 176.300 -0.020 0.000 1.142 120 R CA 1.339 57.412 56.100 -0.044 0.000 0.953 120 R CB 0.082 30.362 30.300 -0.033 0.000 0.860 120 R HN -0.034 nan 8.270 nan 0.000 0.438 121 V N 4.104 124.010 119.914 -0.014 0.000 2.304 121 V HA 0.239 4.359 4.120 0.000 0.000 0.278 121 V C -2.243 173.859 176.094 0.013 0.000 1.018 121 V CA -1.821 60.482 62.300 0.004 0.000 0.814 121 V CB 1.502 33.334 31.823 0.014 0.000 1.021 121 V HN 0.220 nan 8.190 nan 0.000 0.440 122 P HA -0.045 nan 4.420 nan 0.000 0.257 122 P C 0.279 177.608 177.300 0.049 0.000 1.162 122 P CA 0.667 63.780 63.100 0.022 0.000 0.762 122 P CB -0.117 31.592 31.700 0.015 0.000 0.753 123 N N -0.326 118.420 118.700 0.078 0.000 2.721 123 N HA -0.206 4.534 4.740 0.000 0.000 0.249 123 N C 0.271 175.868 175.510 0.144 0.000 1.072 123 N CA 0.572 53.697 53.050 0.124 0.000 0.710 123 N CB -1.418 37.118 38.487 0.081 0.000 0.993 123 N HN 0.632 nan 8.380 nan 0.000 0.547 124 A N -0.183 122.730 122.820 0.155 0.000 2.492 124 A HA 0.234 4.554 4.320 0.000 0.000 0.236 124 A C 1.403 179.128 177.584 0.236 0.000 1.078 124 A CA 0.005 52.132 52.037 0.149 0.000 0.773 124 A CB 0.280 19.341 19.000 0.103 0.000 1.023 124 A HN 0.374 nan 8.150 nan 0.000 0.504 125 L N 0.295 121.612 121.223 0.156 0.000 2.395 125 L HA 0.044 4.384 4.340 0.000 0.000 0.218 125 L C 1.234 178.228 176.870 0.206 0.000 1.130 125 L CA 1.221 56.138 54.840 0.128 0.000 0.826 125 L CB -0.702 41.395 42.059 0.063 0.000 0.941 125 L HN 0.918 nan 8.230 nan 0.000 0.451 126 T N -4.826 109.875 114.554 0.245 0.000 2.887 126 T HA 0.277 4.627 4.350 0.000 0.000 0.288 126 T C 0.592 175.400 174.700 0.181 0.000 1.021 126 T CA -0.692 61.551 62.100 0.239 0.000 1.000 126 T CB 2.357 71.293 68.868 0.115 0.000 1.034 126 T HN -0.023 nan 8.240 nan 0.000 0.467 127 M N 0.705 120.386 119.600 0.134 0.000 2.213 127 M HA -0.014 4.466 4.480 0.000 0.000 0.263 127 M C 2.359 178.597 176.300 -0.104 0.000 1.062 127 M CA 1.465 56.661 55.300 -0.174 0.000 1.105 127 M CB -0.215 32.361 32.600 -0.040 0.000 1.385 127 M HN 0.750 nan 8.290 nan 0.000 0.417 128 R N 0.713 121.203 120.500 -0.015 0.000 2.091 128 R HA -0.166 4.174 4.340 0.000 0.000 0.238 128 R C 1.602 177.890 176.300 -0.020 0.000 1.136 128 R CA 2.311 58.404 56.100 -0.011 0.000 0.959 128 R CB -0.410 29.894 30.300 0.007 0.000 0.856 128 R HN 0.538 nan 8.270 nan 0.000 0.437 129 E N -1.003 119.191 120.200 -0.011 0.000 2.076 129 E HA -0.094 4.256 4.350 0.000 0.000 0.190 129 E C 1.931 178.510 176.600 -0.035 0.000 0.979 129 E CA 1.114 57.509 56.400 -0.007 0.000 0.807 129 E CB -0.124 29.588 29.700 0.020 0.000 0.761 129 E HN 0.097 nan 8.360 nan 0.000 0.454 130 V N 1.319 121.182 119.914 -0.085 0.000 2.490 130 V HA -0.109 4.011 4.120 0.000 0.000 0.250 130 V C 0.942 176.963 176.094 -0.121 0.000 1.061 130 V CA 1.045 63.263 62.300 -0.136 0.000 1.064 130 V CB -0.070 31.555 31.823 -0.329 0.000 0.670 130 V HN 0.088 nan 8.190 nan 0.000 0.461 131 L N 0.194 121.359 121.223 -0.097 0.000 2.375 131 L HA 0.411 4.751 4.340 0.000 0.000 0.268 131 L C -2.174 174.687 176.870 -0.015 0.000 1.058 131 L CA -2.024 52.797 54.840 -0.032 0.000 0.803 131 L CB 0.884 42.947 42.059 0.007 0.000 1.212 131 L HN -0.012 nan 8.230 nan 0.000 0.451 132 P HA -0.054 nan 4.420 nan 0.000 0.270 132 P C 0.024 177.306 177.300 -0.030 0.000 1.227 132 P CA -0.093 63.002 63.100 -0.010 0.000 0.788 132 P CB 0.477 32.184 31.700 0.012 0.000 0.926 133 Q N 1.394 121.155 119.800 -0.065 0.000 2.135 133 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 133 Q C 1.964 177.900 176.000 -0.107 0.000 0.981 133 Q CA 2.197 57.955 55.803 -0.075 0.000 0.856 133 Q CB -1.015 27.686 28.738 -0.061 0.000 0.902 133 Q HN 0.684 nan 8.270 nan 0.000 0.425 134 G N -0.215 108.475 108.800 -0.182 0.000 2.559 134 G HA2 -0.183 3.777 3.960 0.000 0.000 0.216 134 G HA3 -0.183 3.777 3.960 0.000 0.000 0.216 134 G C 0.539 175.431 174.900 -0.012 0.000 1.126 134 G CA 0.780 45.804 45.100 -0.127 0.000 0.778 134 G HN 0.358 nan 8.290 nan 0.000 0.543 135 D N 0.623 121.028 120.400 0.007 0.000 2.339 135 D HA 0.030 4.670 4.640 0.000 0.000 0.217 135 D C 2.033 178.342 176.300 0.015 0.000 1.050 135 D CA 0.463 54.503 54.000 0.066 0.000 0.856 135 D CB 0.097 40.936 40.800 0.066 0.000 0.922 135 D HN 0.386 nan 8.370 nan 0.000 0.518 136 D N 0.941 121.320 120.400 -0.035 0.000 2.154 136 D HA -0.220 4.420 4.640 0.000 0.000 0.190 136 D C 2.043 178.271 176.300 -0.120 0.000 1.003 136 D CA 2.009 55.978 54.000 -0.051 0.000 0.849 136 D CB -0.968 39.819 40.800 -0.021 0.000 0.942 136 D HN 0.276 nan 8.370 nan 0.000 0.446 137 V N -2.541 117.210 119.914 -0.273 0.000 2.626 137 V HA -0.096 4.024 4.120 0.000 0.000 0.252 137 V C 2.348 178.077 176.094 -0.608 0.000 1.067 137 V CA 1.214 63.224 62.300 -0.483 0.000 1.081 137 V CB -1.217 30.162 31.823 -0.739 0.000 0.686 137 V HN 0.011 nan 8.190 nan 0.000 0.468 138 F N 0.138 119.867 119.950 -0.369 0.000 2.416 138 F HA 0.186 4.713 4.527 0.000 0.000 0.296 138 F C 2.337 178.055 175.800 -0.136 0.000 1.099 138 F CA 0.993 58.718 58.000 -0.458 0.000 1.427 138 F CB -0.563 38.030 39.000 -0.680 0.000 1.079 138 F HN -0.025 nan 8.300 nan 0.000 0.536 139 V N 0.012 119.952 119.914 0.044 0.000 2.358 139 V HA -0.236 3.884 4.120 0.000 0.000 0.246 139 V C 2.031 178.153 176.094 0.046 0.000 1.047 139 V CA 1.842 64.175 62.300 0.055 0.000 1.035 139 V CB -0.522 31.313 31.823 0.021 0.000 0.658 139 V HN 0.273 nan 8.190 nan 0.000 0.452 140 E N 0.382 120.579 120.200 -0.006 0.000 2.150 140 E HA -0.115 4.235 4.350 0.000 0.000 0.193 140 E C 2.139 178.752 176.600 0.021 0.000 0.985 140 E CA 1.093 57.488 56.400 -0.008 0.000 0.814 140 E CB -0.347 29.324 29.700 -0.048 0.000 0.752 140 E HN 0.626 nan 8.360 nan 0.000 0.466 141 G N -0.300 108.533 108.800 0.054 0.000 2.920 141 G HA2 0.133 4.093 3.960 0.000 0.000 0.208 141 G HA3 0.133 4.093 3.960 0.000 0.000 0.208 141 G C 1.007 176.049 174.900 0.236 0.000 1.159 141 G CA 0.147 45.348 45.100 0.168 0.000 0.784 141 G HN 0.370 nan 8.290 nan 0.000 0.535 142 G N -1.040 107.875 108.800 0.191 0.000 2.176 142 G HA2 -0.313 3.647 3.960 0.000 0.000 0.252 142 G HA3 -0.313 3.647 3.960 0.000 0.000 0.252 142 G C 0.133 175.127 174.900 0.157 0.000 1.024 142 G CA 0.032 45.214 45.100 0.136 0.000 0.755 142 G HN 0.369 nan 8.290 nan 0.000 0.507 143 Y N -0.701 119.631 120.300 0.054 0.000 2.357 143 Y HA 0.526 5.076 4.550 0.000 0.000 0.340 143 Y C 1.494 177.404 175.900 0.017 0.000 1.260 143 Y CA -0.536 57.592 58.100 0.046 0.000 1.425 143 Y CB 0.572 39.082 38.460 0.085 0.000 1.326 143 Y HN 0.178 nan 8.280 nan 0.000 0.580 144 I N 3.472 124.112 120.570 0.117 0.000 2.342 144 I HA 0.233 4.403 4.170 0.000 0.000 0.291 144 I C -0.130 176.023 176.117 0.060 0.000 1.010 144 I CA -0.611 60.730 61.300 0.068 0.000 1.308 144 I CB 0.872 38.883 38.000 0.019 0.000 1.400 144 I HN 0.375 nan 8.210 nan 0.000 0.488 145 R N 5.584 126.108 120.500 0.040 0.000 2.312 145 R HA 0.624 4.964 4.340 0.000 0.000 0.311 145 R C -1.527 174.759 176.300 -0.024 0.000 1.004 145 R CA -0.432 55.657 56.100 -0.019 0.000 0.902 145 R CB 1.215 31.522 30.300 0.012 0.000 1.073 145 R HN 0.383 nan 8.270 nan 0.000 0.457 146 V N 5.661 125.501 119.914 -0.124 0.000 2.531 146 V HA 0.509 4.629 4.120 0.000 0.000 0.301 146 V C -0.983 174.980 176.094 -0.218 0.000 1.034 146 V CA -0.612 61.635 62.300 -0.088 0.000 0.865 146 V CB 1.501 33.289 31.823 -0.058 0.000 0.995 146 V HN 0.619 nan 8.190 nan 0.000 0.424 147 F N 3.140 123.080 119.950 -0.018 0.000 2.507 147 F HA 0.616 5.143 4.527 0.000 0.000 0.325 147 F C 0.097 175.890 175.800 -0.012 0.000 1.116 147 F CA -0.252 57.749 58.000 0.001 0.000 0.930 147 F CB 1.975 40.982 39.000 0.011 0.000 1.146 147 F HN 0.424 nan 8.300 nan 0.000 0.447 148 Q N 3.189 123.103 119.800 0.190 0.000 2.347 148 Q HA 0.273 4.613 4.340 0.000 0.000 0.271 148 Q C -1.640 174.459 176.000 0.166 0.000 1.064 148 Q CA -0.988 54.886 55.803 0.118 0.000 0.800 148 Q CB 1.854 30.618 28.738 0.044 0.000 1.304 148 Q HN 0.489 nan 8.270 nan 0.000 0.438 149 D N 4.257 124.770 120.400 0.188 0.000 2.383 149 D HA 0.177 4.817 4.640 0.000 0.000 0.252 149 D C 0.500 176.888 176.300 0.147 0.000 1.166 149 D CA 0.078 54.187 54.000 0.180 0.000 0.879 149 D CB 0.508 41.447 40.800 0.232 0.000 1.164 149 D HN 0.543 nan 8.370 nan 0.000 0.462 150 I N -0.901 119.752 120.570 0.138 0.000 3.060 150 I HA 0.181 4.351 4.170 0.000 0.000 0.285 150 I C 0.863 177.079 176.117 0.165 0.000 1.190 150 I CA -0.869 60.533 61.300 0.169 0.000 1.363 150 I CB 0.632 38.775 38.000 0.238 0.000 1.396 150 I HN 0.172 nan 8.210 nan 0.000 0.607 151 R N 2.932 123.543 120.500 0.185 0.000 2.494 151 R HA 0.104 4.444 4.340 0.000 0.000 0.291 151 R C 0.986 177.415 176.300 0.215 0.000 0.953 151 R CA 1.265 57.468 56.100 0.172 0.000 1.098 151 R CB -0.326 30.073 30.300 0.165 0.000 0.911 151 R HN 1.167 nan 8.270 nan 0.000 0.407 152 G N 2.957 111.845 108.800 0.147 0.000 2.176 152 G HA2 -0.219 3.741 3.960 0.000 0.000 0.253 152 G HA3 -0.219 3.741 3.960 0.000 0.000 0.253 152 G C -0.412 174.486 174.900 -0.004 0.000 0.979 152 G CA 0.224 45.406 45.100 0.137 0.000 0.641 152 G HN 0.530 nan 8.290 nan 0.000 0.530 153 K N -0.592 119.783 120.400 -0.042 0.000 2.316 153 K HA 0.660 4.980 4.320 0.000 0.000 0.251 153 K C 0.907 177.512 176.600 0.009 0.000 0.934 153 K CA -0.861 55.335 56.287 -0.150 0.000 0.802 153 K CB 1.447 33.830 32.500 -0.195 0.000 1.171 153 K HN 0.171 nan 8.250 nan 0.000 0.426 154 Y N 0.351 120.573 120.300 -0.130 0.000 2.796 154 Y HA -0.458 4.092 4.550 0.000 0.000 0.472 154 Y C 1.850 177.670 175.900 -0.134 0.000 1.126 154 Y CA 2.187 60.213 58.100 -0.123 0.000 2.780 154 Y CB -1.497 36.893 38.460 -0.117 0.000 1.152 154 Y HN 0.802 nan 8.280 nan 0.000 0.616 155 G N -0.202 108.606 108.800 0.012 0.000 2.650 155 G HA2 0.136 4.096 3.960 0.000 0.000 0.214 155 G HA3 0.136 4.096 3.960 0.000 0.000 0.214 155 G C 0.310 175.235 174.900 0.040 0.000 1.136 155 G CA 0.809 45.822 45.100 -0.145 0.000 0.789 155 G HN 0.297 nan 8.290 nan 0.000 0.536 156 S N 0.204 115.960 115.700 0.093 0.000 2.586 156 S HA 0.383 4.853 4.470 0.000 0.000 0.274 156 S C 0.285 174.918 174.600 0.054 0.000 1.281 156 S CA -0.508 57.750 58.200 0.097 0.000 1.035 156 S CB 1.474 64.742 63.200 0.113 0.000 0.962 156 S HN 0.447 nan 8.310 nan 0.000 0.512 157 Q N 0.431 120.263 119.800 0.053 0.000 2.189 157 Q HA 0.650 4.991 4.340 0.000 0.000 0.193 157 Q C 0.652 176.685 176.000 0.054 0.000 1.034 157 Q CA -0.288 55.540 55.803 0.041 0.000 1.062 157 Q CB 0.487 29.246 28.738 0.035 0.000 1.118 157 Q HN 0.966 nan 8.270 nan 0.000 0.569 158 G N 0.449 109.279 108.800 0.050 0.000 2.710 158 G HA2 -0.145 3.815 3.960 0.000 0.000 0.668 158 G HA3 -0.145 3.815 3.960 0.000 0.000 0.668 158 G C -1.525 173.420 174.900 0.076 0.000 1.320 158 G CA -0.787 44.351 45.100 0.063 0.000 0.860 158 G HN 0.551 nan 8.290 nan 0.000 0.538 159 D N -0.352 120.097 120.400 0.083 0.000 2.210 159 D HA 0.468 5.108 4.640 0.000 0.000 0.249 159 D C -0.191 176.200 176.300 0.152 0.000 1.062 159 D CA 0.141 54.197 54.000 0.094 0.000 0.891 159 D CB 1.352 42.188 40.800 0.061 0.000 1.186 159 D HN 0.494 nan 8.370 nan 0.000 0.432 160 Y N 1.493 121.809 120.300 0.027 0.000 2.326 160 Y HA 0.399 4.949 4.550 0.000 0.000 0.337 160 Y C -0.912 175.020 175.900 0.053 0.000 1.023 160 Y CA -0.499 57.624 58.100 0.039 0.000 1.143 160 Y CB 0.852 39.316 38.460 0.007 0.000 1.183 160 Y HN 0.047 nan 8.280 nan 0.000 0.485 161 V N 8.279 127.823 119.914 -0.617 0.000 2.483 161 V HA 0.169 4.289 4.120 0.000 0.000 0.297 161 V C -0.138 175.485 176.094 -0.785 0.000 1.027 161 V CA -1.014 60.982 62.300 -0.507 0.000 0.855 161 V CB 1.289 33.026 31.823 -0.144 0.000 0.995 161 V HN 0.890 nan 8.190 nan 0.000 0.424 162 M N 5.813 124.964 119.600 -0.748 0.000 2.290 162 M HA 0.119 4.599 4.480 0.000 0.000 0.356 162 M C 1.015 177.146 176.300 -0.281 0.000 1.448 162 M CA 1.031 55.992 55.300 -0.566 0.000 0.993 162 M CB -0.528 31.454 32.600 -1.029 0.000 1.934 162 M HN 1.166 nan 8.290 nan 0.000 0.461 163 T N 2.478 116.969 114.554 -0.106 0.000 3.473 163 T HA -0.265 4.085 4.350 0.000 0.000 0.403 163 T C 0.154 174.873 174.700 0.032 0.000 0.768 163 T CA 0.981 62.862 62.100 -0.365 0.000 2.009 163 T CB -1.670 66.929 68.868 -0.449 0.000 1.715 163 T HN 0.996 nan 8.240 nan 0.000 0.666 164 R N 1.561 122.151 120.500 0.150 0.000 2.526 164 R HA 0.114 4.454 4.340 0.000 0.000 0.319 164 R C -2.042 174.403 176.300 0.241 0.000 0.888 164 R CA -0.829 55.370 56.100 0.166 0.000 1.127 164 R CB 0.163 30.566 30.300 0.172 0.000 0.888 164 R HN 0.344 nan 8.270 nan 0.000 0.410 165 P HA 0.067 nan 4.420 nan 0.000 0.269 165 P C -2.424 174.944 177.300 0.113 0.000 1.215 165 P CA -1.018 62.146 63.100 0.107 0.000 0.780 165 P CB 0.340 32.042 31.700 0.003 0.000 0.898 166 P HA 0.010 nan 4.420 nan 0.000 0.272 166 P C -0.336 177.022 177.300 0.096 0.000 1.240 166 P CA 0.022 63.182 63.100 0.100 0.000 0.791 166 P CB 0.184 31.934 31.700 0.084 0.000 0.978 167 H N -0.041 119.047 119.070 0.029 0.000 3.125 167 H HA 0.346 4.902 4.556 0.000 0.000 0.310 167 H C 0.828 176.162 175.328 0.011 0.000 0.980 167 H CA 2.335 58.394 56.048 0.018 0.000 1.422 167 H CB -0.542 29.226 29.762 0.010 0.000 1.432 167 H HN 0.786 nan 8.280 nan 0.000 0.577 168 G N 3.707 112.203 108.800 -0.508 0.000 2.398 168 G HA2 -0.063 3.897 3.960 0.000 0.000 0.251 168 G HA3 -0.063 3.897 3.960 0.000 0.000 0.251 168 G C -1.991 172.760 174.900 -0.247 0.000 1.277 168 G CA -0.363 44.517 45.100 -0.367 0.000 0.927 168 G HN 0.437 nan 8.290 nan 0.000 0.477 169 P HA 0.105 nan 4.420 nan 0.000 0.219 169 P C 1.570 178.825 177.300 -0.076 0.000 1.146 169 P CA 0.958 63.997 63.100 -0.102 0.000 0.808 169 P CB 0.044 31.693 31.700 -0.084 0.000 0.779 170 L N -2.615 118.561 121.223 -0.078 0.000 2.640 170 L HA 0.241 4.581 4.340 0.000 0.000 0.230 170 L C 0.571 177.432 176.870 -0.015 0.000 1.123 170 L CA 0.126 54.941 54.840 -0.042 0.000 0.900 170 L CB -0.210 41.799 42.059 -0.084 0.000 1.146 170 L HN -0.061 nan 8.230 nan 0.000 0.484 171 N N 0.298 118.977 118.700 -0.034 0.000 2.827 171 N HA 0.158 4.898 4.740 0.000 0.000 0.240 171 N C -2.416 173.094 175.510 0.001 0.000 1.352 171 N CA -1.071 51.986 53.050 0.013 0.000 0.760 171 N CB 1.477 39.998 38.487 0.056 0.000 1.426 171 N HN -0.246 nan 8.380 nan 0.000 0.561 172 P HA 0.068 nan 4.420 nan 0.000 0.255 172 P C 0.516 177.908 177.300 0.154 0.000 1.248 172 P CA 0.237 63.361 63.100 0.040 0.000 0.807 172 P CB -0.036 31.673 31.700 0.015 0.000 1.150 173 T N -2.083 112.562 114.554 0.152 0.000 2.729 173 T HA 0.226 4.576 4.350 0.000 0.000 0.298 173 T C 1.121 175.890 174.700 0.114 0.000 1.013 173 T CA -0.198 61.972 62.100 0.116 0.000 0.957 173 T CB 0.905 69.822 68.868 0.081 0.000 1.130 173 T HN -0.183 nan 8.240 nan 0.000 0.526 174 K N 0.162 120.578 120.400 0.027 0.000 2.404 174 K HA 0.179 4.499 4.320 0.000 0.000 0.194 174 K C 0.647 177.212 176.600 -0.058 0.000 1.023 174 K CA 0.188 56.440 56.287 -0.060 0.000 1.094 174 K CB 0.239 32.708 32.500 -0.051 0.000 0.841 174 K HN 0.868 nan 8.250 nan 0.000 0.523 175 T N -1.170 113.391 114.554 0.012 0.000 2.916 175 T HA 0.539 4.889 4.350 0.000 0.000 0.292 175 T C -1.045 173.700 174.700 0.074 0.000 1.055 175 T CA -0.995 61.124 62.100 0.032 0.000 1.009 175 T CB 2.280 71.176 68.868 0.046 0.000 1.118 175 T HN 0.044 nan 8.240 nan 0.000 0.497 176 D N -0.451 120.000 120.400 0.084 0.000 2.851 176 D HA 0.264 4.904 4.640 0.000 0.000 0.339 176 D C 0.536 176.906 176.300 0.117 0.000 1.347 176 D CA -0.679 53.388 54.000 0.112 0.000 0.888 176 D CB 0.070 40.942 40.800 0.121 0.000 1.431 176 D HN 0.352 nan 8.370 nan 0.000 0.509 177 E N -0.531 119.745 120.200 0.126 0.000 2.268 177 E HA -0.050 4.300 4.350 0.000 0.000 0.195 177 E C 1.400 178.051 176.600 0.084 0.000 0.995 177 E CA 1.212 57.680 56.400 0.114 0.000 0.836 177 E CB -0.340 29.412 29.700 0.088 0.000 0.763 177 E HN 0.556 nan 8.360 nan 0.000 0.491 178 T N 0.523 115.125 114.554 0.080 0.000 2.732 178 T HA -0.109 4.241 4.350 0.000 0.000 0.261 178 T C 2.128 176.925 174.700 0.160 0.000 1.040 178 T CA 2.011 64.173 62.100 0.102 0.000 1.145 178 T CB -0.359 68.562 68.868 0.087 0.000 0.866 178 T HN 0.409 nan 8.240 nan 0.000 0.427 179 T N 0.581 115.208 114.554 0.122 0.000 2.867 179 T HA -0.111 4.239 4.350 0.000 0.000 0.268 179 T C 1.547 176.366 174.700 0.197 0.000 1.057 179 T CA 1.187 63.366 62.100 0.132 0.000 1.136 179 T CB -0.460 68.422 68.868 0.024 0.000 0.874 179 T HN 0.108 nan 8.240 nan 0.000 0.466 180 D N 1.949 122.441 120.400 0.154 0.000 2.144 180 D HA 0.086 4.726 4.640 0.000 0.000 0.199 180 D C 2.417 178.811 176.300 0.156 0.000 0.984 180 D CA 1.422 55.510 54.000 0.145 0.000 0.834 180 D CB -0.590 40.288 40.800 0.129 0.000 0.955 180 D HN 0.583 nan 8.370 nan 0.000 0.465 181 A N -0.464 122.453 122.820 0.161 0.000 1.929 181 A HA -0.111 4.209 4.320 0.000 0.000 0.216 181 A C 2.153 179.834 177.584 0.162 0.000 1.176 181 A CA 0.894 53.009 52.037 0.130 0.000 0.628 181 A CB -1.069 17.994 19.000 0.104 0.000 0.816 181 A HN 0.364 nan 8.150 nan 0.000 0.444 182 W N 1.174 122.516 121.300 0.071 0.000 2.354 182 W HA -0.169 4.491 4.660 0.000 0.000 0.315 182 W C 1.433 178.016 176.519 0.106 0.000 1.206 182 W CA 1.849 59.266 57.345 0.119 0.000 1.290 182 W CB 0.075 29.609 29.460 0.124 0.000 1.152 182 W HN 0.361 nan 8.180 nan 0.000 0.489 183 D N -0.918 119.790 120.400 0.512 0.000 2.178 183 D HA -0.157 4.483 4.640 0.000 0.000 0.201 183 D C 2.106 178.524 176.300 0.196 0.000 0.980 183 D CA 1.947 56.179 54.000 0.386 0.000 0.842 183 D CB -0.809 40.160 40.800 0.281 0.000 0.948 183 D HN 0.142 nan 8.370 nan 0.000 0.472 184 T N 0.488 115.114 114.554 0.119 0.000 2.701 184 T HA -0.081 4.269 4.350 0.000 0.000 0.263 184 T C 2.270 176.984 174.700 0.022 0.000 1.040 184 T CA 0.753 62.891 62.100 0.064 0.000 1.147 184 T CB -0.293 68.595 68.868 0.033 0.000 0.865 184 T HN -0.035 nan 8.240 nan 0.000 0.426 185 V N 1.677 121.515 119.914 -0.127 0.000 2.343 185 V HA -0.191 3.929 4.120 0.000 0.000 0.247 185 V C 2.329 178.115 176.094 -0.513 0.000 1.051 185 V CA 2.019 64.126 62.300 -0.321 0.000 1.036 185 V CB -0.643 30.916 31.823 -0.441 0.000 0.654 185 V HN 0.493 nan 8.190 nan 0.000 0.451 186 D N -1.402 118.616 120.400 -0.636 0.000 2.117 186 D HA -0.263 4.377 4.640 0.000 0.000 0.197 186 D C 1.881 178.218 176.300 0.061 0.000 0.987 186 D CA 1.645 55.398 54.000 -0.413 0.000 0.829 186 D CB -0.204 40.533 40.800 -0.105 0.000 0.961 186 D HN 0.564 nan 8.370 nan 0.000 0.460 187 W N 0.535 121.805 121.300 -0.050 0.000 2.381 187 W HA -0.051 4.609 4.660 0.000 0.000 0.301 187 W C 1.879 178.391 176.519 -0.011 0.000 1.205 187 W CA 0.998 58.351 57.345 0.013 0.000 1.285 187 W CB -0.213 29.251 29.460 0.007 0.000 1.133 187 W HN 0.000 nan 8.180 nan 0.000 0.521 188 L N 0.325 121.711 121.223 0.272 0.000 2.012 188 L HA -0.238 4.102 4.340 0.000 0.000 0.210 188 L C 2.481 179.276 176.870 -0.125 0.000 1.073 188 L CA 1.707 56.621 54.840 0.124 0.000 0.748 188 L CB -1.368 40.746 42.059 0.092 0.000 0.891 188 L HN 0.072 nan 8.230 nan 0.000 0.431 189 V N -4.261 115.539 119.914 -0.191 0.000 3.141 189 V HA -0.186 3.934 4.120 0.000 0.000 0.265 189 V C 1.561 177.416 176.094 -0.398 0.000 1.126 189 V CA 1.415 63.542 62.300 -0.288 0.000 1.141 189 V CB -0.913 30.711 31.823 -0.331 0.000 0.743 189 V HN 0.465 nan 8.190 nan 0.000 0.492 190 H N 0.011 118.921 119.070 -0.266 0.000 2.705 190 H HA 0.382 4.938 4.556 0.000 0.000 0.269 190 H C 1.324 176.398 175.328 -0.423 0.000 0.998 190 H CA 0.611 56.487 56.048 -0.286 0.000 1.193 190 H CB 0.409 30.022 29.762 -0.250 0.000 1.485 190 H HN 0.425 nan 8.280 nan 0.000 0.521 191 N N 0.130 118.521 118.700 -0.515 0.000 2.160 191 N HA 0.101 4.841 4.740 0.000 0.000 0.226 191 N C -0.796 174.463 175.510 -0.417 0.000 1.256 191 N CA 0.290 52.931 53.050 -0.683 0.000 0.890 191 N CB 2.513 40.034 38.487 -1.610 0.000 1.116 191 N HN -0.055 nan 8.380 nan 0.000 0.517 192 V N 3.525 123.282 119.914 -0.262 0.000 2.266 192 V HA 0.230 4.350 4.120 0.000 0.000 0.266 192 V C -1.606 174.421 176.094 -0.112 0.000 1.036 192 V CA -1.068 61.156 62.300 -0.126 0.000 0.828 192 V CB 1.699 33.486 31.823 -0.060 0.000 1.081 192 V HN -0.052 nan 8.190 nan 0.000 0.449 193 P HA -0.072 nan 4.420 nan 0.000 0.230 193 P C 0.898 178.159 177.300 -0.065 0.000 1.158 193 P CA 0.849 63.898 63.100 -0.084 0.000 0.769 193 P CB 0.633 32.291 31.700 -0.069 0.000 0.807 194 E N 0.156 120.325 120.200 -0.051 0.000 2.427 194 E HA -0.024 4.326 4.350 0.000 0.000 0.196 194 E C 1.190 177.757 176.600 -0.054 0.000 1.028 194 E CA 0.223 56.599 56.400 -0.040 0.000 0.864 194 E CB -0.243 29.446 29.700 -0.018 0.000 0.813 194 E HN 0.350 nan 8.360 nan 0.000 0.514 195 S N 0.772 116.430 115.700 -0.070 0.000 2.693 195 S HA 0.153 4.623 4.470 0.000 0.000 0.276 195 S C 0.769 175.308 174.600 -0.101 0.000 1.192 195 S CA -0.629 57.518 58.200 -0.088 0.000 0.994 195 S CB 0.910 64.055 63.200 -0.092 0.000 1.012 195 S HN 0.159 nan 8.310 nan 0.000 0.550 196 N N -0.324 118.308 118.700 -0.115 0.000 2.270 196 N HA 0.212 4.952 4.740 0.000 0.000 0.198 196 N C 1.128 176.567 175.510 -0.119 0.000 1.117 196 N CA 0.371 53.354 53.050 -0.112 0.000 0.845 196 N CB -0.326 38.091 38.487 -0.116 0.000 0.980 196 N HN 1.367 nan 8.380 nan 0.000 0.486 197 G N 0.271 108.992 108.800 -0.132 0.000 2.148 197 G HA2 -0.315 3.646 3.960 0.000 0.000 0.254 197 G HA3 -0.315 3.646 3.960 0.000 0.000 0.254 197 G C -0.342 174.478 174.900 -0.133 0.000 0.981 197 G CA 0.008 45.019 45.100 -0.149 0.000 0.670 197 G HN 0.506 nan 8.290 nan 0.000 0.528 198 R N -0.392 120.034 120.500 -0.125 0.000 2.387 198 R HA 0.612 4.952 4.340 0.000 0.000 0.314 198 R C -0.583 175.647 176.300 -0.116 0.000 0.958 198 R CA -0.726 55.305 56.100 -0.116 0.000 0.846 198 R CB 2.481 32.715 30.300 -0.111 0.000 1.147 198 R HN 0.083 nan 8.270 nan 0.000 0.447 199 V N 1.768 121.613 119.914 -0.115 0.000 2.555 199 V HA 0.623 4.743 4.120 0.000 0.000 0.302 199 V C 0.362 176.382 176.094 -0.123 0.000 1.038 199 V CA -0.774 61.464 62.300 -0.105 0.000 0.887 199 V CB 2.001 33.756 31.823 -0.113 0.000 0.991 199 V HN 0.953 nan 8.190 nan 0.000 0.434 200 G N 3.730 112.478 108.800 -0.087 0.000 2.452 200 G HA2 0.716 4.676 3.960 0.000 0.000 0.324 200 G HA3 0.716 4.676 3.960 0.000 0.000 0.324 200 G C -0.992 173.926 174.900 0.031 0.000 1.214 200 G CA -0.660 44.355 45.100 -0.141 0.000 0.947 200 G HN 0.535 nan 8.290 nan 0.000 0.478 201 M N 1.360 120.997 119.600 0.062 0.000 2.383 201 M HA 0.576 5.056 4.480 0.000 0.000 0.325 201 M C -0.199 176.226 176.300 0.209 0.000 1.092 201 M CA -0.477 54.875 55.300 0.087 0.000 0.961 201 M CB 2.666 35.277 32.600 0.018 0.000 1.672 201 M HN 0.614 nan 8.290 nan 0.000 0.438 202 T N 1.237 115.856 114.554 0.108 0.000 2.731 202 T HA 0.905 5.255 4.350 0.000 0.000 0.300 202 T C -1.349 173.386 174.700 0.059 0.000 1.283 202 T CA 0.025 62.192 62.100 0.111 0.000 1.005 202 T CB 2.101 71.064 68.868 0.159 0.000 1.420 202 T HN 1.002 nan 8.240 nan 0.000 0.503 203 G N 0.786 109.638 108.800 0.086 0.000 2.329 203 G HA2 0.410 4.371 3.960 0.000 0.000 0.308 203 G HA3 0.410 4.371 3.960 0.000 0.000 0.308 203 G C -1.243 173.749 174.900 0.153 0.000 1.587 203 G CA 0.033 45.214 45.100 0.134 0.000 0.978 203 G HN 0.771 nan 8.290 nan 0.000 0.685 204 S N 0.044 115.856 115.700 0.187 0.000 2.549 204 S HA 0.923 5.393 4.470 0.000 0.000 0.297 204 S C 1.130 175.905 174.600 0.292 0.000 1.115 204 S CA 1.399 59.701 58.200 0.170 0.000 1.059 204 S CB 1.103 64.341 63.200 0.063 0.000 1.046 204 S HN 2.641 nan 8.310 nan 0.000 0.506 205 A N 3.463 126.475 122.820 0.320 0.000 5.195 205 A HA -0.312 4.008 4.320 0.000 0.000 0.310 205 A C 1.144 179.001 177.584 0.454 0.000 1.951 205 A CA 1.746 54.054 52.037 0.453 0.000 0.714 205 A CB -2.068 17.293 19.000 0.601 0.000 1.301 205 A HN 1.288 nan 8.150 nan 0.000 0.369 206 Y N 1.539 122.094 120.300 0.425 0.000 2.293 206 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 206 Y C 2.536 178.688 175.900 0.420 0.000 1.137 206 Y CA 2.261 60.598 58.100 0.394 0.000 1.202 206 Y CB -0.074 38.581 38.460 0.325 0.000 0.990 206 Y HN 0.660 nan 8.280 nan 0.000 0.537 207 E N -1.072 119.486 120.200 0.596 0.000 2.347 207 E HA -0.107 4.243 4.350 0.000 0.000 0.196 207 E C 2.144 178.941 176.600 0.328 0.000 1.008 207 E CA 0.631 57.293 56.400 0.437 0.000 0.852 207 E CB -0.125 29.811 29.700 0.394 0.000 0.783 207 E HN 0.600 nan 8.360 nan 0.000 0.505 208 G N 0.737 109.739 108.800 0.336 0.000 2.492 208 G HA2 -0.187 3.773 3.960 0.000 0.000 0.214 208 G HA3 -0.187 3.773 3.960 0.000 0.000 0.214 208 G C 1.276 176.336 174.900 0.267 0.000 1.147 208 G CA -0.157 45.094 45.100 0.253 0.000 0.809 208 G HN 0.265 nan 8.290 nan 0.000 0.533 209 F N 3.200 123.251 119.950 0.169 0.000 2.134 209 F HA -0.152 4.375 4.527 0.000 0.000 0.299 209 F C 2.807 178.687 175.800 0.133 0.000 1.097 209 F CA 2.316 60.383 58.000 0.111 0.000 1.264 209 F CB -0.499 38.465 39.000 -0.061 0.000 1.001 209 F HN 0.169 nan 8.300 nan 0.000 0.479 210 T N -2.025 112.578 114.554 0.083 0.000 2.915 210 T HA -0.102 4.248 4.350 0.000 0.000 0.269 210 T C 1.942 176.620 174.700 -0.036 0.000 1.071 210 T CA 1.285 63.373 62.100 -0.021 0.000 1.132 210 T CB -1.170 67.823 68.868 0.207 0.000 0.878 210 T HN 0.190 nan 8.240 nan 0.000 0.479 211 V N 1.314 121.239 119.914 0.018 0.000 2.323 211 V HA -0.100 4.020 4.120 0.000 0.000 0.244 211 V C 2.916 178.994 176.094 -0.026 0.000 1.041 211 V CA 1.182 63.483 62.300 0.001 0.000 1.025 211 V CB -0.700 31.125 31.823 0.003 0.000 0.656 211 V HN 0.374 nan 8.190 nan 0.000 0.451 212 V N -0.489 119.419 119.914 -0.010 0.000 2.332 212 V HA -0.300 3.820 4.120 0.000 0.000 0.248 212 V C 2.557 178.647 176.094 -0.007 0.000 1.055 212 V CA 1.868 64.206 62.300 0.062 0.000 1.038 212 V CB -0.648 31.290 31.823 0.190 0.000 0.651 212 V HN 0.403 nan 8.190 nan 0.000 0.450 213 M N -0.127 119.373 119.600 -0.166 0.000 2.159 213 M HA -0.134 4.346 4.480 0.000 0.000 0.263 213 M C 2.395 178.678 176.300 -0.029 0.000 1.063 213 M CA 2.208 57.410 55.300 -0.164 0.000 1.110 213 M CB -1.427 30.962 32.600 -0.350 0.000 1.374 213 M HN 0.426 nan 8.290 nan 0.000 0.411 214 A N 0.015 122.829 122.820 -0.010 0.000 1.930 214 A HA -0.097 4.223 4.320 0.000 0.000 0.217 214 A C 2.217 179.841 177.584 0.067 0.000 1.175 214 A CA 1.091 53.157 52.037 0.048 0.000 0.627 214 A CB -0.877 18.145 19.000 0.036 0.000 0.815 214 A HN 0.488 nan 8.150 nan 0.000 0.443 215 L N -0.280 120.973 121.223 0.051 0.000 2.362 215 L HA -0.119 4.221 4.340 0.000 0.000 0.219 215 L C 2.183 179.110 176.870 0.096 0.000 1.134 215 L CA 0.340 55.223 54.840 0.071 0.000 0.807 215 L CB -0.448 41.660 42.059 0.082 0.000 0.927 215 L HN 0.397 nan 8.230 nan 0.000 0.447 216 L N -0.721 120.557 121.223 0.092 0.000 2.131 216 L HA -0.109 4.231 4.340 0.000 0.000 0.210 216 L C 0.402 177.330 176.870 0.097 0.000 1.092 216 L CA 1.010 55.906 54.840 0.093 0.000 0.759 216 L CB -0.113 41.994 42.059 0.080 0.000 0.903 216 L HN 0.247 nan 8.230 nan 0.000 0.435 217 D N -0.889 119.582 120.400 0.118 0.000 2.826 217 D HA 0.159 4.799 4.640 0.000 0.000 0.239 217 D C -2.609 173.844 176.300 0.256 0.000 1.329 217 D CA -1.089 53.001 54.000 0.150 0.000 0.854 217 D CB 1.096 41.962 40.800 0.110 0.000 1.494 217 D HN -0.126 nan 8.370 nan 0.000 0.540 218 P HA 0.168 nan 4.420 nan 0.000 0.281 218 P C -0.058 177.345 177.300 0.172 0.000 1.249 218 P CA -0.352 62.858 63.100 0.183 0.000 0.810 218 P CB 0.858 32.601 31.700 0.073 0.000 1.008 219 H N 3.630 122.587 119.070 -0.189 0.000 2.732 219 H HA 0.058 4.614 4.556 0.000 0.000 0.351 219 H C -1.196 173.982 175.328 -0.249 0.000 1.090 219 H CA -1.112 54.593 56.048 -0.573 0.000 1.431 219 H CB 0.805 30.011 29.762 -0.927 0.000 1.447 219 H HN 0.229 nan 8.280 nan 0.000 0.582 220 P HA -0.135 nan 4.420 nan 0.000 0.220 220 P C 0.833 178.092 177.300 -0.069 0.000 1.144 220 P CA 1.422 64.407 63.100 -0.191 0.000 0.800 220 P CB 0.016 31.575 31.700 -0.235 0.000 0.772 221 A N -0.822 122.063 122.820 0.108 0.000 2.169 221 A HA 0.018 4.338 4.320 0.000 0.000 0.212 221 A C 1.147 178.704 177.584 -0.044 0.000 1.153 221 A CA 0.045 52.108 52.037 0.044 0.000 0.756 221 A CB -0.915 18.105 19.000 0.035 0.000 0.813 221 A HN 0.175 nan 8.150 nan 0.000 0.471 222 L N 0.824 122.021 121.223 -0.045 0.000 2.433 222 L HA 0.216 4.556 4.340 0.000 0.000 0.284 222 L C 0.733 177.526 176.870 -0.128 0.000 1.120 222 L CA 0.129 54.913 54.840 -0.093 0.000 0.879 222 L CB 0.210 42.227 42.059 -0.070 0.000 1.232 222 L HN 0.028 nan 8.230 nan 0.000 0.454 223 K N 3.660 123.959 120.400 -0.170 0.000 2.323 223 K HA 0.281 4.601 4.320 0.000 0.000 0.197 223 K C -0.064 176.314 176.600 -0.370 0.000 1.043 223 K CA 0.363 56.522 56.287 -0.214 0.000 0.997 223 K CB 0.428 32.843 32.500 -0.141 0.000 0.807 223 K HN 0.403 nan 8.250 nan 0.000 0.497 224 V N -0.623 119.048 119.914 -0.406 0.000 3.147 224 V HA 0.672 4.792 4.120 0.000 0.000 0.299 224 V C -2.054 173.803 176.094 -0.395 0.000 1.302 224 V CA -0.791 61.192 62.300 -0.529 0.000 1.015 224 V CB 2.224 33.555 31.823 -0.820 0.000 1.086 224 V HN 0.154 nan 8.190 nan 0.000 0.437 225 A N 3.762 126.492 122.820 -0.149 0.000 2.515 225 A HA 1.019 5.339 4.320 0.000 0.000 0.298 225 A C -0.549 177.161 177.584 0.210 0.000 1.059 225 A CA -0.125 51.933 52.037 0.036 0.000 0.698 225 A CB 2.079 21.033 19.000 -0.077 0.000 1.289 225 A HN 2.259 nan 8.150 nan 0.000 0.404 226 A N 2.646 125.616 122.820 0.252 0.000 2.943 226 A HA 0.708 5.028 4.320 0.000 0.000 0.327 226 A C -3.098 174.428 177.584 -0.096 0.000 1.141 226 A CA -1.333 50.739 52.037 0.059 0.000 0.773 226 A CB 0.375 19.408 19.000 0.055 0.000 1.143 226 A HN 0.415 nan 8.150 nan 0.000 0.463 227 P HA 0.295 nan 4.420 nan 0.000 0.276 227 P C -0.524 176.770 177.300 -0.010 0.000 1.243 227 P CA 0.458 63.480 63.100 -0.128 0.000 0.768 227 P CB 0.691 32.211 31.700 -0.301 0.000 0.856 228 E N 1.559 121.790 120.200 0.051 0.000 2.158 228 E HA 0.279 4.629 4.350 0.000 0.000 0.271 228 E C -0.100 176.581 176.600 0.136 0.000 0.911 228 E CA -0.752 55.680 56.400 0.054 0.000 0.767 228 E CB 0.705 30.400 29.700 -0.008 0.000 1.120 228 E HN 0.223 nan 8.360 nan 0.000 0.405 229 S N 2.444 118.242 115.700 0.163 0.000 3.410 229 S HA -0.135 4.335 4.470 0.000 0.000 0.369 229 S C -2.146 172.632 174.600 0.297 0.000 0.961 229 S CA 0.221 58.560 58.200 0.232 0.000 1.248 229 S CB -1.485 61.835 63.200 0.201 0.000 0.914 229 S HN 0.489 nan 8.310 nan 0.000 0.497 230 P HA 0.198 nan 4.420 nan 0.000 0.275 230 P C -0.075 177.407 177.300 0.303 0.000 1.228 230 P CA -0.388 62.912 63.100 0.333 0.000 0.786 230 P CB 0.502 32.438 31.700 0.395 0.000 0.927 231 M N 2.764 122.530 119.600 0.277 0.000 2.220 231 M HA 0.090 4.570 4.480 0.000 0.000 0.343 231 M C 0.895 177.368 176.300 0.288 0.000 1.470 231 M CA -0.069 55.330 55.300 0.164 0.000 1.161 231 M CB 0.520 33.100 32.600 -0.033 0.000 1.737 231 M HN 0.138 nan 8.290 nan 0.000 0.464 232 V N 0.480 120.548 119.914 0.257 0.000 2.996 232 V HA 0.140 4.260 4.120 0.000 0.000 0.235 232 V C 0.052 176.302 176.094 0.259 0.000 1.205 232 V CA 0.803 63.283 62.300 0.301 0.000 1.225 232 V CB 0.657 32.668 31.823 0.314 0.000 0.995 232 V HN 0.764 nan 8.190 nan 0.000 0.484 233 D N -0.035 120.472 120.400 0.179 0.000 2.346 233 D HA 0.308 4.948 4.640 0.000 0.000 0.255 233 D C 0.997 177.264 176.300 -0.056 0.000 1.276 233 D CA 0.386 54.433 54.000 0.079 0.000 0.941 233 D CB 1.461 42.213 40.800 -0.080 0.000 1.199 233 D HN 0.189 nan 8.370 nan 0.000 0.537 234 G N 1.491 110.336 108.800 0.075 0.000 2.535 234 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 234 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 234 G C 1.068 175.966 174.900 -0.003 0.000 1.122 234 G CA 0.210 45.270 45.100 -0.066 0.000 0.769 234 G HN 0.523 nan 8.290 nan 0.000 0.549 235 W N -0.228 120.910 121.300 -0.270 0.000 2.644 235 W HA 0.258 4.918 4.660 0.000 0.000 0.279 235 W C 2.382 178.508 176.519 -0.655 0.000 1.164 235 W CA 0.167 57.245 57.345 -0.446 0.000 1.457 235 W CB 0.242 29.319 29.460 -0.638 0.000 1.087 235 W HN -0.030 nan 8.180 nan 0.000 0.573 236 M N -0.241 118.986 119.600 -0.621 0.000 2.132 236 M HA 0.122 4.602 4.480 0.000 0.000 0.263 236 M C 1.519 176.839 176.300 -1.633 0.000 1.065 236 M CA 1.945 56.409 55.300 -1.393 0.000 1.122 236 M CB -1.371 30.000 32.600 -2.048 0.000 1.365 236 M HN 0.275 nan 8.290 nan 0.000 0.411 237 G N -1.334 106.712 108.800 -1.257 0.000 4.983 237 G HA2 0.081 4.041 3.960 0.000 0.000 0.209 237 G HA3 0.081 4.041 3.960 0.000 0.000 0.209 237 G C -0.078 174.551 174.900 -0.451 0.000 0.863 237 G CA -0.371 44.161 45.100 -0.946 0.000 0.793 237 G HN 0.197 nan 8.290 nan 0.000 0.341 238 D N 0.243 120.488 120.400 -0.258 0.000 3.009 238 D HA 0.143 4.783 4.640 0.000 0.000 0.243 238 D C 1.063 177.277 176.300 -0.142 0.000 1.204 238 D CA -0.129 53.807 54.000 -0.106 0.000 1.171 238 D CB 0.582 41.315 40.800 -0.111 0.000 0.954 238 D HN -0.079 nan 8.370 nan 0.000 0.241 239 D N -0.462 119.663 120.400 -0.458 0.000 2.137 239 D HA -0.036 4.604 4.640 0.000 0.000 0.202 239 D C 2.255 178.233 176.300 -0.537 0.000 0.970 239 D CA 0.755 54.341 54.000 -0.690 0.000 0.837 239 D CB 0.090 40.125 40.800 -1.275 0.000 0.981 239 D HN 0.387 nan 8.370 nan 0.000 0.475 240 W N 0.020 121.251 121.300 -0.114 0.000 2.480 240 W HA 0.099 4.759 4.660 0.000 0.000 0.299 240 W C 0.631 176.772 176.519 -0.630 0.000 1.187 240 W CA -0.435 56.734 57.345 -0.293 0.000 1.347 240 W CB -0.054 29.416 29.460 0.017 0.000 1.121 240 W HN -0.217 nan 8.180 nan 0.000 0.533 241 F N -1.432 118.478 119.950 -0.066 0.000 2.629 241 F HA 0.429 4.956 4.527 0.000 0.000 0.316 241 F C -0.326 175.366 175.800 -0.179 0.000 1.081 241 F CA -1.359 56.499 58.000 -0.236 0.000 0.954 241 F CB 1.235 39.765 39.000 -0.784 0.000 1.337 241 F HN -0.289 nan 8.300 nan 0.000 0.474 242 H N 1.352 120.335 119.070 -0.145 0.000 2.860 242 H HA 0.215 4.771 4.556 0.000 0.000 0.312 242 H C -1.118 173.979 175.328 -0.386 0.000 0.995 242 H CA -0.862 55.028 56.048 -0.264 0.000 1.311 242 H CB 0.793 30.583 29.762 0.047 0.000 1.478 242 H HN 0.685 nan 8.280 nan 0.000 0.508 243 Y N 1.776 121.720 120.300 -0.594 0.000 3.491 243 Y HA -0.310 4.240 4.550 0.000 0.000 0.215 243 Y C 1.569 176.929 175.900 -0.900 0.000 1.219 243 Y CA 1.500 59.164 58.100 -0.726 0.000 1.485 243 Y CB -1.749 36.411 38.460 -0.501 0.000 1.450 243 Y HN 1.129 nan 8.280 nan 0.000 0.603 244 G N -2.115 105.840 108.800 -1.408 0.000 2.217 244 G HA2 -0.047 3.913 3.960 0.000 0.000 0.246 244 G HA3 -0.047 3.913 3.960 0.000 0.000 0.246 244 G C 0.368 175.184 174.900 -0.141 0.000 0.990 244 G CA -0.126 44.267 45.100 -1.178 0.000 0.627 244 G HN 1.561 nan 8.290 nan 0.000 0.522 245 A N 0.473 123.278 122.820 -0.025 0.000 2.347 245 A HA 0.633 4.953 4.320 0.000 0.000 0.287 245 A C -0.056 177.760 177.584 0.387 0.000 1.199 245 A CA -0.293 51.854 52.037 0.183 0.000 0.851 245 A CB 0.114 19.101 19.000 -0.022 0.000 1.118 245 A HN 1.290 nan 8.150 nan 0.000 0.525 246 F N 3.024 123.094 119.950 0.199 0.000 2.495 246 F HA 0.359 4.886 4.527 0.000 0.000 0.365 246 F C 0.746 176.405 175.800 -0.235 0.000 1.090 246 F CA -0.158 57.751 58.000 -0.151 0.000 1.235 246 F CB 0.626 39.597 39.000 -0.048 0.000 1.119 246 F HN 0.568 nan 8.300 nan 0.000 0.562 247 R N 5.979 125.672 120.500 -1.345 0.000 2.205 247 R HA 0.135 4.475 4.340 0.000 0.000 0.342 247 R C 0.956 176.131 176.300 -1.874 0.000 1.058 247 R CA -0.264 54.980 56.100 -1.426 0.000 0.904 247 R CB 0.711 30.371 30.300 -1.066 0.000 1.089 247 R HN 0.761 nan 8.270 nan 0.000 0.471 248 Q N 1.395 120.276 119.800 -1.530 0.000 2.437 248 Q HA -0.079 4.261 4.340 0.000 0.000 0.210 248 Q C 1.653 176.668 176.000 -1.643 0.000 0.972 248 Q CA 1.104 56.025 55.803 -1.471 0.000 0.903 248 Q CB 0.250 28.234 28.738 -1.256 0.000 0.967 248 Q HN 0.858 nan 8.270 nan 0.000 0.486 249 G N 0.767 108.451 108.800 -1.861 0.000 2.598 249 G HA2 -0.040 3.920 3.960 0.000 0.000 0.215 249 G HA3 -0.040 3.920 3.960 0.000 0.000 0.215 249 G C 1.416 175.657 174.900 -1.098 0.000 1.131 249 G CA 0.581 44.501 45.100 -1.968 0.000 0.785 249 G HN 0.381 nan 8.290 nan 0.000 0.539 250 A N 0.733 122.914 122.820 -1.065 0.000 1.972 250 A HA 0.116 4.436 4.320 0.000 0.000 0.219 250 A C 1.994 178.918 177.584 -1.100 0.000 1.169 250 A CA 1.010 52.510 52.037 -0.896 0.000 0.635 250 A CB -0.449 18.053 19.000 -0.830 0.000 0.810 250 A HN 0.246 nan 8.150 nan 0.000 0.446 251 F N 0.859 120.370 119.950 -0.732 0.000 2.095 251 F HA -0.170 4.357 4.527 0.000 0.000 0.298 251 F C 2.158 177.796 175.800 -0.270 0.000 1.104 251 F CA 1.238 58.964 58.000 -0.457 0.000 1.232 251 F CB -0.925 37.989 39.000 -0.143 0.000 0.987 251 F HN 0.236 nan 8.300 nan 0.000 0.475 252 D N -1.288 119.076 120.400 -0.060 0.000 2.117 252 D HA -0.236 4.404 4.640 0.000 0.000 0.197 252 D C 2.168 178.481 176.300 0.021 0.000 0.987 252 D CA 1.176 55.164 54.000 -0.021 0.000 0.829 252 D CB -0.673 40.085 40.800 -0.070 0.000 0.961 252 D HN 0.348 nan 8.370 nan 0.000 0.460 253 Y N 0.495 120.719 120.300 -0.127 0.000 2.181 253 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 253 Y C 2.224 178.271 175.900 0.245 0.000 1.146 253 Y CA 1.469 59.597 58.100 0.047 0.000 1.164 253 Y CB -0.431 38.071 38.460 0.070 0.000 0.982 253 Y HN -0.076 nan 8.280 nan 0.000 0.515 254 F N -1.391 118.664 119.950 0.176 0.000 2.069 254 F HA -0.295 4.232 4.527 0.000 0.000 0.298 254 F C 2.278 178.052 175.800 -0.043 0.000 1.113 254 F CA 1.006 59.062 58.000 0.093 0.000 1.214 254 F CB -0.618 38.443 39.000 0.102 0.000 0.978 254 F HN -0.124 nan 8.300 nan 0.000 0.474 255 V N -0.940 119.013 119.914 0.065 0.000 2.515 255 V HA -0.268 3.852 4.120 0.000 0.000 0.250 255 V C 2.346 178.474 176.094 0.056 0.000 1.058 255 V CA 1.945 64.228 62.300 -0.029 0.000 1.064 255 V CB -0.555 31.212 31.823 -0.094 0.000 0.675 255 V HN 0.347 nan 8.190 nan 0.000 0.461 256 S N -0.894 114.815 115.700 0.016 0.000 2.387 256 S HA -0.172 4.298 4.470 0.000 0.000 0.226 256 S C 1.946 176.517 174.600 -0.048 0.000 1.026 256 S CA 1.181 59.375 58.200 -0.010 0.000 0.972 256 S CB -0.076 63.115 63.200 -0.014 0.000 0.814 256 S HN 0.580 nan 8.310 nan 0.000 0.477 257 Q N -0.353 119.378 119.800 -0.115 0.000 2.391 257 Q HA 0.310 4.650 4.340 0.000 0.000 0.211 257 Q C 1.168 177.134 176.000 -0.056 0.000 0.908 257 Q CA 0.536 56.239 55.803 -0.166 0.000 0.920 257 Q CB 0.140 28.653 28.738 -0.375 0.000 1.056 257 Q HN 0.581 nan 8.270 nan 0.000 0.523 258 M N -0.735 118.939 119.600 0.122 0.000 2.412 258 M HA 0.125 4.605 4.480 0.000 0.000 0.315 258 M C 1.012 177.455 176.300 0.238 0.000 1.092 258 M CA 0.092 55.531 55.300 0.232 0.000 0.974 258 M CB 0.782 33.609 32.600 0.378 0.000 1.437 258 M HN -0.128 nan 8.290 nan 0.000 0.524 259 T N 1.037 115.714 114.554 0.205 0.000 2.942 259 T HA 0.214 4.564 4.350 0.000 0.000 0.265 259 T C 0.709 175.405 174.700 -0.008 0.000 1.062 259 T CA 0.991 63.177 62.100 0.144 0.000 1.139 259 T CB 0.170 69.128 68.868 0.150 0.000 0.883 259 T HN 0.474 nan 8.240 nan 0.000 0.468 260 A N -0.211 122.575 122.820 -0.057 0.000 2.602 260 A HA 0.686 5.006 4.320 0.000 0.000 0.290 260 A C 0.840 178.303 177.584 -0.201 0.000 1.114 260 A CA -0.673 51.295 52.037 -0.116 0.000 0.683 260 A CB 0.863 19.791 19.000 -0.119 0.000 1.281 260 A HN 0.054 nan 8.150 nan 0.000 0.416 261 R N -0.067 120.309 120.500 -0.208 0.000 2.091 261 R HA -0.084 4.256 4.340 0.000 0.000 0.238 261 R C 1.245 177.219 176.300 -0.544 0.000 1.136 261 R CA 2.274 58.209 56.100 -0.276 0.000 0.959 261 R CB -0.400 29.791 30.300 -0.181 0.000 0.856 261 R HN 0.869 nan 8.270 nan 0.000 0.437 262 G N -0.959 107.504 108.800 -0.562 0.000 2.975 262 G HA2 0.354 4.314 3.960 0.000 0.000 0.159 262 G HA3 0.354 4.314 3.960 0.000 0.000 0.159 262 G C -0.360 174.046 174.900 -0.824 0.000 1.525 262 G CA -0.171 44.343 45.100 -0.976 0.000 1.075 262 G HN 0.409 nan 8.290 nan 0.000 0.574 263 G N -1.224 107.373 108.800 -0.339 0.000 2.527 263 G HA2 0.518 4.478 3.960 0.000 0.000 0.248 263 G HA3 0.518 4.478 3.960 0.000 0.000 0.248 263 G C 0.098 174.959 174.900 -0.065 0.000 1.231 263 G CA 0.571 45.639 45.100 -0.053 0.000 0.838 263 G HN 0.858 nan 8.290 nan 0.000 0.570 264 G N -0.116 108.673 108.800 -0.019 0.000 3.211 264 G HA2 0.621 4.581 3.960 0.000 0.000 0.262 264 G HA3 0.621 4.581 3.960 0.000 0.000 0.262 264 G C -0.722 174.186 174.900 0.014 0.000 1.352 264 G CA -0.800 44.297 45.100 -0.006 0.000 1.004 264 G HN 0.609 nan 8.290 nan 0.000 0.559 265 N N -0.860 117.851 118.700 0.017 0.000 2.577 265 N HA 0.368 5.108 4.740 0.000 0.000 0.285 265 N C -1.373 174.145 175.510 0.013 0.000 1.309 265 N CA -0.526 52.533 53.050 0.014 0.000 0.798 265 N CB 2.312 40.804 38.487 0.008 0.000 1.463 265 N HN 0.354 nan 8.380 nan 0.000 0.518 266 D N 0.439 120.845 120.400 0.009 0.000 2.423 266 D HA 0.399 5.039 4.640 0.000 0.000 0.255 266 D C 0.027 176.327 176.300 0.001 0.000 1.174 266 D CA -0.145 53.861 54.000 0.010 0.000 1.008 266 D CB 1.039 41.848 40.800 0.014 0.000 1.101 266 D HN 0.290 nan 8.370 nan 0.000 0.516 267 I N 1.961 122.536 120.570 0.008 0.000 2.396 267 I HA 0.153 4.323 4.170 0.000 0.000 0.289 267 I C -1.937 174.167 176.117 -0.022 0.000 1.056 267 I CA -1.525 59.761 61.300 -0.024 0.000 1.365 267 I CB 0.615 38.606 38.000 -0.015 0.000 1.407 267 I HN 0.041 nan 8.210 nan 0.000 0.509 268 P HA 0.090 nan 4.420 nan 0.000 0.264 268 P C -0.720 176.547 177.300 -0.056 0.000 1.193 268 P CA -0.029 63.042 63.100 -0.048 0.000 0.763 268 P CB 0.428 32.091 31.700 -0.061 0.000 0.810 269 R N 2.562 123.046 120.500 -0.026 0.000 2.668 269 R HA 0.345 4.685 4.340 0.000 0.000 0.279 269 R C 1.076 177.362 176.300 -0.024 0.000 0.976 269 R CA -0.827 55.265 56.100 -0.014 0.000 0.978 269 R CB 1.335 31.649 30.300 0.023 0.000 1.133 269 R HN 0.351 nan 8.270 nan 0.000 0.484 270 R N 0.345 120.832 120.500 -0.022 0.000 2.090 270 R HA 0.074 4.414 4.340 0.000 0.000 0.219 270 R C 0.055 176.356 176.300 0.001 0.000 1.100 270 R CA 1.369 57.458 56.100 -0.019 0.000 0.991 270 R CB 0.193 30.478 30.300 -0.024 0.000 0.893 270 R HN 0.599 nan 8.270 nan 0.000 0.443 271 D N -1.485 118.926 120.400 0.017 0.000 2.340 271 D HA 0.286 4.926 4.640 0.000 0.000 0.240 271 D C -0.038 176.275 176.300 0.021 0.000 1.001 271 D CA 0.139 54.155 54.000 0.027 0.000 0.888 271 D CB 2.217 43.048 40.800 0.052 0.000 1.310 271 D HN 0.226 nan 8.370 nan 0.000 0.474 272 A N 2.226 125.053 122.820 0.012 0.000 2.067 272 A HA -0.072 4.248 4.320 0.000 0.000 0.219 272 A C 0.792 178.368 177.584 -0.013 0.000 1.158 272 A CA 0.921 52.953 52.037 -0.007 0.000 0.661 272 A CB 0.050 19.044 19.000 -0.010 0.000 0.801 272 A HN 0.487 nan 8.150 nan 0.000 0.452 273 D N -0.567 119.849 120.400 0.026 0.000 2.280 273 D HA 0.288 4.928 4.640 0.000 0.000 0.236 273 D C -0.169 176.196 176.300 0.107 0.000 1.082 273 D CA -0.480 53.553 54.000 0.055 0.000 0.834 273 D CB 0.909 41.768 40.800 0.098 0.000 1.100 273 D HN 0.001 nan 8.370 nan 0.000 0.486 274 D N 2.335 122.776 120.400 0.068 0.000 2.269 274 D HA -0.156 4.484 4.640 0.000 0.000 0.208 274 D C 1.323 177.787 176.300 0.274 0.000 0.963 274 D CA 0.539 54.641 54.000 0.170 0.000 0.864 274 D CB -0.019 40.817 40.800 0.060 0.000 0.936 274 D HN 0.560 nan 8.370 nan 0.000 0.505 275 Y N 1.478 121.858 120.300 0.134 0.000 2.181 275 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 275 Y C 2.253 178.362 175.900 0.349 0.000 1.146 275 Y CA 1.731 59.981 58.100 0.250 0.000 1.164 275 Y CB -0.362 38.243 38.460 0.242 0.000 0.982 275 Y HN -0.124 nan 8.280 nan 0.000 0.515 276 T N 0.727 115.556 114.554 0.458 0.000 2.737 276 T HA -0.157 4.193 4.350 0.000 0.000 0.265 276 T C 1.667 176.501 174.700 0.224 0.000 1.038 276 T CA 1.385 63.675 62.100 0.316 0.000 1.144 276 T CB -0.320 68.679 68.868 0.218 0.000 0.866 276 T HN 0.374 nan 8.240 nan 0.000 0.434 277 N N 0.875 119.691 118.700 0.194 0.000 2.069 277 N HA -0.057 4.683 4.740 0.000 0.000 0.191 277 N C 1.606 177.174 175.510 0.096 0.000 1.031 277 N CA 1.315 54.436 53.050 0.118 0.000 0.852 277 N CB -0.533 38.002 38.487 0.079 0.000 1.018 277 N HN 0.363 nan 8.380 nan 0.000 0.423 278 F N 1.028 121.055 119.950 0.129 0.000 2.234 278 F HA 0.097 4.624 4.527 0.000 0.000 0.296 278 F C 2.401 178.370 175.800 0.282 0.000 1.089 278 F CA 0.238 58.322 58.000 0.139 0.000 1.343 278 F CB -0.333 38.594 39.000 -0.122 0.000 1.040 278 F HN -0.012 nan 8.300 nan 0.000 0.498 279 L N 0.126 121.614 121.223 0.442 0.000 2.046 279 L HA -0.252 4.088 4.340 0.000 0.000 0.208 279 L C 2.465 179.367 176.870 0.054 0.000 1.077 279 L CA 1.637 56.554 54.840 0.128 0.000 0.747 279 L CB -0.382 41.659 42.059 -0.030 0.000 0.896 279 L HN 0.128 nan 8.230 nan 0.000 0.432 280 K N -0.487 119.970 120.400 0.094 0.000 2.097 280 K HA -0.145 4.175 4.320 0.000 0.000 0.205 280 K C 1.962 178.594 176.600 0.053 0.000 1.050 280 K CA 1.216 57.535 56.287 0.053 0.000 0.938 280 K CB -0.018 32.516 32.500 0.057 0.000 0.718 280 K HN 0.349 nan 8.250 nan 0.000 0.442 281 A N 0.106 122.986 122.820 0.101 0.000 2.014 281 A HA 0.123 4.443 4.320 0.000 0.000 0.218 281 A C 1.399 179.058 177.584 0.124 0.000 1.163 281 A CA 1.673 53.776 52.037 0.110 0.000 0.652 281 A CB -0.599 18.517 19.000 0.194 0.000 0.808 281 A HN 0.569 nan 8.150 nan 0.000 0.449 282 G N -0.887 107.983 108.800 0.116 0.000 3.076 282 G HA2 -0.194 3.766 3.960 0.000 0.000 0.256 282 G HA3 -0.194 3.766 3.960 0.000 0.000 0.256 282 G C 0.690 175.709 174.900 0.198 0.000 1.589 282 G CA 0.784 45.917 45.100 0.056 0.000 1.044 282 G HN 1.755 nan 8.290 nan 0.000 0.563 283 S N 1.389 117.281 115.700 0.321 0.000 2.632 283 S HA 0.712 5.182 4.470 0.000 0.000 0.267 283 S C 1.684 176.582 174.600 0.497 0.000 1.276 283 S CA 0.652 59.125 58.200 0.455 0.000 0.998 283 S CB 1.570 65.031 63.200 0.436 0.000 0.953 283 S HN 2.175 nan 8.310 nan 0.000 0.547 284 A N 1.631 124.817 122.820 0.609 0.000 1.930 284 A HA 0.161 4.481 4.320 0.000 0.000 0.217 284 A C 2.168 180.125 177.584 0.620 0.000 1.175 284 A CA 1.546 54.047 52.037 0.774 0.000 0.627 284 A CB -1.764 17.786 19.000 0.916 0.000 0.815 284 A HN 1.157 nan 8.150 nan 0.000 0.443 285 G N -0.940 108.216 108.800 0.594 0.000 2.432 285 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 285 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 285 G C 1.879 176.918 174.900 0.233 0.000 1.135 285 G CA 1.456 46.844 45.100 0.480 0.000 0.767 285 G HN 0.582 nan 8.290 nan 0.000 0.550 286 S N -0.506 115.336 115.700 0.236 0.000 2.387 286 S HA -0.049 4.421 4.470 0.000 0.000 0.226 286 S C 2.030 176.646 174.600 0.028 0.000 1.026 286 S CA 1.094 59.369 58.200 0.124 0.000 0.972 286 S CB -0.372 62.919 63.200 0.153 0.000 0.814 286 S HN 0.362 nan 8.310 nan 0.000 0.477 287 F N 2.236 122.137 119.950 -0.083 0.000 2.146 287 F HA 0.080 4.607 4.527 0.000 0.000 0.298 287 F C 2.332 177.836 175.800 -0.493 0.000 1.096 287 F CA 1.244 59.088 58.000 -0.260 0.000 1.275 287 F CB -0.748 38.122 39.000 -0.218 0.000 1.008 287 F HN 0.284 nan 8.300 nan 0.000 0.480 288 A N -0.437 122.054 122.820 -0.547 0.000 1.908 288 A HA -0.192 4.128 4.320 0.000 0.000 0.218 288 A C 2.181 179.450 177.584 -0.524 0.000 1.181 288 A CA 2.356 53.814 52.037 -0.965 0.000 0.627 288 A CB -1.457 16.686 19.000 -1.429 0.000 0.818 288 A HN 0.437 nan 8.150 nan 0.000 0.445 289 T N -0.159 114.231 114.554 -0.273 0.000 2.708 289 T HA -0.181 4.169 4.350 0.000 0.000 0.266 289 T C 2.042 176.615 174.700 -0.213 0.000 1.037 289 T CA 1.822 63.827 62.100 -0.158 0.000 1.146 289 T CB -0.265 68.563 68.868 -0.067 0.000 0.865 289 T HN 0.620 nan 8.240 nan 0.000 0.435 290 Q N 0.129 119.759 119.800 -0.284 0.000 2.291 290 Q HA 0.089 4.429 4.340 0.000 0.000 0.205 290 Q C 2.329 178.097 176.000 -0.388 0.000 0.970 290 Q CA 1.050 56.666 55.803 -0.311 0.000 0.876 290 Q CB -0.116 28.414 28.738 -0.347 0.000 0.935 290 Q HN 0.524 nan 8.270 nan 0.000 0.455 291 A N -0.578 121.938 122.820 -0.507 0.000 2.178 291 A HA 0.295 4.615 4.320 0.000 0.000 0.211 291 A C 1.476 178.896 177.584 -0.273 0.000 1.157 291 A CA 0.810 52.566 52.037 -0.468 0.000 0.780 291 A CB -0.008 18.624 19.000 -0.614 0.000 0.828 291 A HN 0.415 nan 8.150 nan 0.000 0.476 292 G N -1.257 107.415 108.800 -0.213 0.000 2.131 292 G HA2 -0.210 3.750 3.960 0.000 0.000 0.223 292 G HA3 -0.210 3.750 3.960 0.000 0.000 0.223 292 G C 0.645 175.558 174.900 0.022 0.000 0.990 292 G CA 0.337 45.396 45.100 -0.068 0.000 0.671 292 G HN 0.389 nan 8.290 nan 0.000 0.521 293 L N 0.129 121.265 121.223 -0.144 0.000 2.478 293 L HA 0.102 4.442 4.340 0.000 0.000 0.223 293 L C 2.111 179.131 176.870 0.250 0.000 1.140 293 L CA 0.839 55.604 54.840 -0.124 0.000 0.842 293 L CB -0.088 41.639 42.059 -0.554 0.000 0.953 293 L HN 0.086 nan 8.230 nan 0.000 0.452 294 D N 0.076 120.594 120.400 0.196 0.000 2.309 294 D HA -0.201 4.439 4.640 0.000 0.000 0.212 294 D C 2.012 178.415 176.300 0.171 0.000 0.968 294 D CA 0.866 54.999 54.000 0.222 0.000 0.882 294 D CB 0.081 40.925 40.800 0.073 0.000 0.918 294 D HN 0.564 nan 8.370 nan 0.000 0.503 295 Q N -0.592 119.330 119.800 0.204 0.000 2.360 295 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 295 Q C -0.200 175.846 176.000 0.077 0.000 0.915 295 Q CA -0.007 55.855 55.803 0.098 0.000 0.943 295 Q CB -0.121 28.631 28.738 0.023 0.000 1.064 295 Q HN 0.274 nan 8.270 nan 0.000 0.511 296 Y N 1.811 122.160 120.300 0.082 0.000 2.425 296 Y HA 0.221 4.771 4.550 0.000 0.000 0.347 296 Y C -1.543 174.406 175.900 0.082 0.000 0.976 296 Y CA -2.499 55.658 58.100 0.095 0.000 1.190 296 Y CB 1.360 39.903 38.460 0.138 0.000 1.136 296 Y HN 0.056 nan 8.280 nan 0.000 0.517 297 P HA -0.276 nan 4.420 nan 0.000 0.216 297 P C 1.561 178.903 177.300 0.071 0.000 1.154 297 P CA 1.466 64.604 63.100 0.063 0.000 0.865 297 P CB 0.048 31.774 31.700 0.044 0.000 0.789 298 F N -0.973 118.965 119.950 -0.020 0.000 2.134 298 F HA -0.134 4.393 4.527 0.000 0.000 0.299 298 F C 2.261 177.990 175.800 -0.118 0.000 1.097 298 F CA 1.172 59.109 58.000 -0.105 0.000 1.264 298 F CB -0.863 38.015 39.000 -0.203 0.000 1.001 298 F HN 0.008 nan 8.300 nan 0.000 0.479 299 W N 1.262 122.385 121.300 -0.295 0.000 2.388 299 W HA -0.210 4.450 4.660 0.000 0.000 0.294 299 W C 1.920 178.305 176.519 -0.223 0.000 1.212 299 W CA 1.445 58.618 57.345 -0.287 0.000 1.271 299 W CB -0.364 29.062 29.460 -0.056 0.000 1.126 299 W HN 0.163 nan 8.180 nan 0.000 0.535 300 Q N 0.205 119.803 119.800 -0.337 0.000 2.124 300 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 300 Q C 2.365 178.090 176.000 -0.457 0.000 0.977 300 Q CA 1.789 57.336 55.803 -0.426 0.000 0.850 300 Q CB -0.251 28.359 28.738 -0.213 0.000 0.901 300 Q HN 0.308 nan 8.270 nan 0.000 0.429 301 R N 0.068 120.295 120.500 -0.454 0.000 2.062 301 R HA -0.043 4.298 4.340 0.000 0.000 0.229 301 R C 2.295 178.240 176.300 -0.592 0.000 1.128 301 R CA 1.276 57.035 56.100 -0.568 0.000 0.960 301 R CB -0.342 29.583 30.300 -0.625 0.000 0.855 301 R HN 0.322 nan 8.270 nan 0.000 0.432 302 M N 0.415 119.676 119.600 -0.565 0.000 2.086 302 M HA -0.210 4.270 4.480 0.000 0.000 0.261 302 M C 2.426 178.627 176.300 -0.166 0.000 1.067 302 M CA 1.749 56.962 55.300 -0.146 0.000 1.116 302 M CB -0.364 32.196 32.600 -0.067 0.000 1.348 302 M HN 0.207 nan 8.290 nan 0.000 0.407 303 H N 0.096 118.631 119.070 -0.891 0.000 2.422 303 H HA -0.085 4.471 4.556 0.000 0.000 0.298 303 H C 1.555 176.667 175.328 -0.361 0.000 1.098 303 H CA 1.832 57.300 56.048 -0.966 0.000 1.315 303 H CB 0.073 28.936 29.762 -1.499 0.000 1.382 303 H HN 0.548 nan 8.280 nan 0.000 0.523 304 A N 0.293 122.866 122.820 -0.413 0.000 2.169 304 A HA -0.027 4.293 4.320 0.000 0.000 0.212 304 A C 0.364 177.575 177.584 -0.622 0.000 1.153 304 A CA 0.292 52.027 52.037 -0.504 0.000 0.756 304 A CB -0.056 18.595 19.000 -0.582 0.000 0.813 304 A HN 0.476 nan 8.150 nan 0.000 0.471 305 H N -0.566 118.454 119.070 -0.083 0.000 2.336 305 H HA 0.189 4.745 4.556 0.000 0.000 0.230 305 H C -2.121 173.484 175.328 0.462 0.000 1.426 305 H CA -1.408 54.705 56.048 0.109 0.000 1.359 305 H CB 0.672 30.394 29.762 -0.067 0.000 1.555 305 H HN 0.343 nan 8.280 nan 0.000 0.512 306 P HA -0.014 nan 4.420 nan 0.000 0.222 306 P C 0.804 178.347 177.300 0.405 0.000 1.153 306 P CA 0.539 63.873 63.100 0.390 0.000 0.798 306 P CB 0.706 32.509 31.700 0.172 0.000 0.796 307 A N -0.576 122.464 122.820 0.367 0.000 2.252 307 A HA 0.278 4.598 4.320 0.000 0.000 0.305 307 A C -0.515 176.913 177.584 -0.259 0.000 1.097 307 A CA -0.516 51.652 52.037 0.219 0.000 0.849 307 A CB -0.262 18.929 19.000 0.319 0.000 1.142 307 A HN 0.015 nan 8.150 nan 0.000 0.499 308 Y N 2.064 121.687 120.300 -1.129 0.000 2.889 308 Y HA 0.163 4.713 4.550 0.000 0.000 0.367 308 Y C 0.272 175.918 175.900 -0.424 0.000 1.197 308 Y CA -1.049 56.264 58.100 -1.311 0.000 1.993 308 Y CB -1.130 36.321 38.460 -1.682 0.000 2.112 308 Y HN 0.771 nan 8.280 nan 0.000 0.413 309 D N -0.314 119.955 120.400 -0.219 0.000 2.453 309 D HA 0.235 4.875 4.640 0.000 0.000 0.282 309 D C 1.578 177.723 176.300 -0.259 0.000 1.222 309 D CA 0.115 54.023 54.000 -0.154 0.000 1.079 309 D CB -0.036 40.773 40.800 0.015 0.000 1.128 309 D HN 0.160 nan 8.370 nan 0.000 0.568 310 A N -1.040 121.673 122.820 -0.179 0.000 1.978 310 A HA -0.123 4.197 4.320 0.000 0.000 0.220 310 A C 1.963 179.394 177.584 -0.256 0.000 1.170 310 A CA 1.290 53.209 52.037 -0.197 0.000 0.636 310 A CB -1.234 17.694 19.000 -0.120 0.000 0.810 310 A HN 0.528 nan 8.150 nan 0.000 0.448 311 F N -1.107 118.522 119.950 -0.535 0.000 2.134 311 F HA -0.142 4.385 4.527 0.000 0.000 0.299 311 F C 1.810 177.229 175.800 -0.634 0.000 1.097 311 F CA 1.600 59.151 58.000 -0.748 0.000 1.264 311 F CB -0.323 37.835 39.000 -1.404 0.000 1.001 311 F HN 0.413 nan 8.300 nan 0.000 0.479 312 W N 0.029 121.119 121.300 -0.349 0.000 2.576 312 W HA 0.052 4.712 4.660 0.000 0.000 0.275 312 W C 2.465 178.717 176.519 -0.445 0.000 1.241 312 W CA 0.360 57.503 57.345 -0.338 0.000 1.328 312 W CB -0.554 28.779 29.460 -0.211 0.000 1.092 312 W HN -0.081 nan 8.180 nan 0.000 0.586 313 Q N -0.030 119.481 119.800 -0.483 0.000 2.124 313 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 313 Q C 2.343 178.231 176.000 -0.188 0.000 0.977 313 Q CA 1.434 56.961 55.803 -0.460 0.000 0.850 313 Q CB -0.644 27.809 28.738 -0.475 0.000 0.901 313 Q HN 0.367 nan 8.270 nan 0.000 0.429 314 G N -0.062 108.618 108.800 -0.200 0.000 2.848 314 G HA2 -0.165 3.795 3.960 0.000 0.000 0.208 314 G HA3 -0.165 3.795 3.960 0.000 0.000 0.208 314 G C 0.889 175.734 174.900 -0.092 0.000 1.152 314 G CA 0.092 45.108 45.100 -0.139 0.000 0.789 314 G HN 0.282 nan 8.290 nan 0.000 0.531 315 Q N -0.600 119.164 119.800 -0.060 0.000 2.189 315 Q HA 0.332 4.672 4.340 0.000 0.000 0.223 315 Q C 0.838 176.940 176.000 0.170 0.000 0.828 315 Q CA -0.323 55.513 55.803 0.056 0.000 0.967 315 Q CB 1.230 29.994 28.738 0.043 0.000 1.139 315 Q HN 0.309 nan 8.270 nan 0.000 0.497 316 A N 1.574 124.483 122.820 0.148 0.000 2.655 316 A HA 0.142 4.462 4.320 0.000 0.000 0.297 316 A C 1.027 178.720 177.584 0.182 0.000 1.461 316 A CA -0.007 52.151 52.037 0.201 0.000 1.146 316 A CB -0.356 18.773 19.000 0.216 0.000 1.108 316 A HN 0.380 nan 8.150 nan 0.000 0.550 317 L N 1.191 122.540 121.223 0.211 0.000 2.191 317 L HA -0.169 4.171 4.340 0.000 0.000 0.212 317 L C 2.203 179.178 176.870 0.175 0.000 1.103 317 L CA 1.385 56.342 54.840 0.195 0.000 0.769 317 L CB -0.527 41.672 42.059 0.233 0.000 0.908 317 L HN 0.807 nan 8.230 nan 0.000 0.438 318 D N 0.473 120.982 120.400 0.180 0.000 2.117 318 D HA -0.224 4.416 4.640 0.000 0.000 0.197 318 D C 1.895 178.260 176.300 0.108 0.000 0.987 318 D CA 1.336 55.411 54.000 0.126 0.000 0.829 318 D CB -0.173 40.719 40.800 0.153 0.000 0.961 318 D HN 0.170 nan 8.370 nan 0.000 0.460 319 K N 0.045 120.524 120.400 0.132 0.000 2.103 319 K HA 0.156 4.476 4.320 0.000 0.000 0.204 319 K C 2.350 179.003 176.600 0.088 0.000 1.052 319 K CA 0.462 56.813 56.287 0.108 0.000 0.945 319 K CB -0.097 32.475 32.500 0.121 0.000 0.722 319 K HN 0.174 nan 8.250 nan 0.000 0.443 320 I N 0.259 120.887 120.570 0.095 0.000 2.202 320 I HA -0.227 3.943 4.170 0.000 0.000 0.242 320 I C 2.018 178.188 176.117 0.089 0.000 1.091 320 I CA 0.615 61.965 61.300 0.083 0.000 1.368 320 I CB -0.141 37.909 38.000 0.083 0.000 1.058 320 I HN 0.086 nan 8.210 nan 0.000 0.410 321 L N 1.207 122.496 121.223 0.110 0.000 2.083 321 L HA -0.127 4.213 4.340 0.000 0.000 0.209 321 L C 2.486 179.417 176.870 0.103 0.000 1.083 321 L CA 2.047 56.963 54.840 0.126 0.000 0.752 321 L CB -0.784 41.387 42.059 0.186 0.000 0.899 321 L HN 0.195 nan 8.230 nan 0.000 0.433 322 A N -1.366 121.501 122.820 0.078 0.000 2.019 322 A HA -0.222 4.098 4.320 0.000 0.000 0.219 322 A C 2.174 179.787 177.584 0.048 0.000 1.164 322 A CA 1.656 53.723 52.037 0.051 0.000 0.644 322 A CB -0.462 18.554 19.000 0.027 0.000 0.805 322 A HN 0.669 nan 8.150 nan 0.000 0.449 323 Q N -1.147 118.685 119.800 0.054 0.000 2.331 323 Q HA 0.008 4.348 4.340 0.000 0.000 0.203 323 Q C 1.829 177.858 176.000 0.048 0.000 0.944 323 Q CA 0.400 56.231 55.803 0.046 0.000 0.892 323 Q CB 0.087 28.852 28.738 0.045 0.000 0.983 323 Q HN 0.383 nan 8.270 nan 0.000 0.482 324 R N 0.929 121.465 120.500 0.060 0.000 2.236 324 R HA 0.039 4.379 4.340 0.000 0.000 0.208 324 R C 0.003 176.338 176.300 0.058 0.000 1.036 324 R CA 0.350 56.487 56.100 0.061 0.000 1.001 324 R CB -0.137 30.207 30.300 0.074 0.000 0.896 324 R HN 0.127 nan 8.270 nan 0.000 0.464 325 K N 1.149 121.584 120.400 0.058 0.000 3.974 325 K HA -0.117 4.203 4.320 0.000 0.000 0.280 325 K C -2.321 174.315 176.600 0.061 0.000 0.949 325 K CA 0.147 56.467 56.287 0.054 0.000 0.817 325 K CB -0.934 31.591 32.500 0.041 0.000 1.535 325 K HN 0.255 nan 8.250 nan 0.000 0.444 326 P HA 0.050 nan 4.420 nan 0.000 0.274 326 P C 0.445 177.783 177.300 0.064 0.000 1.237 326 P CA -0.086 63.060 63.100 0.077 0.000 0.793 326 P CB 1.092 32.856 31.700 0.107 0.000 0.977 327 T N -3.369 111.210 114.554 0.042 0.000 3.043 327 T HA 0.176 4.526 4.350 0.000 0.000 0.272 327 T C 0.496 175.187 174.700 -0.014 0.000 0.990 327 T CA -0.170 61.944 62.100 0.023 0.000 0.897 327 T CB -0.286 68.591 68.868 0.016 0.000 1.111 327 T HN 0.090 nan 8.240 nan 0.000 0.529 328 V N 3.996 123.897 119.914 -0.022 0.000 2.488 328 V HA 0.321 4.441 4.120 0.000 0.000 0.277 328 V C -2.281 173.761 176.094 -0.088 0.000 1.046 328 V CA -2.015 60.229 62.300 -0.093 0.000 0.986 328 V CB 0.815 32.589 31.823 -0.083 0.000 0.989 328 V HN 0.219 nan 8.190 nan 0.000 0.475 329 P HA 0.127 nan 4.420 nan 0.000 0.262 329 P C -0.522 176.836 177.300 0.097 0.000 1.182 329 P CA 0.564 63.605 63.100 -0.099 0.000 0.761 329 P CB 0.278 31.614 31.700 -0.607 0.000 0.795 330 M N 3.017 122.767 119.600 0.250 0.000 2.465 330 M HA 0.430 4.910 4.480 0.000 0.000 0.316 330 M C -0.541 175.820 176.300 0.102 0.000 1.121 330 M CA -0.532 54.839 55.300 0.118 0.000 0.934 330 M CB 2.242 34.848 32.600 0.009 0.000 1.692 330 M HN 0.133 nan 8.290 nan 0.000 0.444 331 L N 2.659 123.851 121.223 -0.052 0.000 2.388 331 L HA 0.452 4.792 4.340 0.000 0.000 0.267 331 L C -1.801 174.957 176.870 -0.186 0.000 0.995 331 L CA -0.303 54.456 54.840 -0.135 0.000 0.864 331 L CB 0.900 42.888 42.059 -0.119 0.000 1.216 331 L HN 0.762 nan 8.230 nan 0.000 0.430 332 W N 3.888 125.179 121.300 -0.015 0.000 2.315 332 W HA 0.435 5.095 4.660 0.000 0.000 0.316 332 W C 0.457 176.895 176.519 -0.136 0.000 1.211 332 W CA -0.106 57.226 57.345 -0.021 0.000 1.201 332 W CB 1.029 30.522 29.460 0.055 0.000 1.184 332 W HN 0.315 nan 8.180 nan 0.000 0.544 333 E N 3.369 123.635 120.200 0.110 0.000 2.314 333 E HA 0.352 4.702 4.350 0.000 0.000 0.272 333 E C -1.292 175.345 176.600 0.062 0.000 0.884 333 E CA -0.704 55.685 56.400 -0.019 0.000 0.753 333 E CB 2.266 31.875 29.700 -0.150 0.000 1.213 333 E HN 0.684 nan 8.360 nan 0.000 0.432 334 Q N 1.349 121.176 119.800 0.045 0.000 2.527 334 Q HA 0.622 4.962 4.340 0.000 0.000 0.280 334 Q C -0.773 175.282 176.000 0.092 0.000 0.977 334 Q CA -1.109 54.751 55.803 0.095 0.000 0.837 334 Q CB 0.896 29.686 28.738 0.087 0.000 1.454 334 Q HN 0.473 nan 8.270 nan 0.000 0.387 335 G N 1.089 109.986 108.800 0.162 0.000 2.503 335 G HA2 0.356 4.316 3.960 0.000 0.000 0.257 335 G HA3 0.356 4.316 3.960 0.000 0.000 0.257 335 G C 0.327 175.171 174.900 -0.093 0.000 1.214 335 G CA -0.809 44.363 45.100 0.120 0.000 0.839 335 G HN 0.656 nan 8.290 nan 0.000 0.559 336 L N 0.330 121.363 121.223 -0.318 0.000 2.275 336 L HA 0.019 4.359 4.340 0.000 0.000 0.215 336 L C 1.075 177.630 176.870 -0.526 0.000 1.119 336 L CA 0.707 55.227 54.840 -0.535 0.000 0.790 336 L CB 0.033 41.552 42.059 -0.900 0.000 0.919 336 L HN 0.553 nan 8.230 nan 0.000 0.443 337 W N -0.037 121.195 121.300 -0.112 0.000 2.159 337 W HA 0.199 4.859 4.660 0.000 0.000 0.375 337 W C 0.010 176.472 176.519 -0.095 0.000 0.794 337 W CA -0.961 56.310 57.345 -0.123 0.000 2.716 337 W CB 0.018 29.394 29.460 -0.140 0.000 1.583 337 W HN -0.064 nan 8.180 nan 0.000 0.702 338 D N 2.510 122.982 120.400 0.120 0.000 2.346 338 D HA -0.055 4.585 4.640 0.000 0.000 0.267 338 D C 1.569 177.925 176.300 0.093 0.000 1.320 338 D CA 0.592 54.687 54.000 0.158 0.000 0.951 338 D CB 1.009 41.923 40.800 0.190 0.000 1.079 338 D HN 0.170 nan 8.370 nan 0.000 0.509 339 Q N 2.652 122.455 119.800 0.004 0.000 2.415 339 Q HA -0.033 4.307 4.340 0.000 0.000 0.206 339 Q C 0.164 176.181 176.000 0.027 0.000 0.946 339 Q CA 0.807 56.533 55.803 -0.128 0.000 0.951 339 Q CB 0.299 28.732 28.738 -0.509 0.000 1.026 339 Q HN 0.591 nan 8.270 nan 0.000 0.510 340 E N -0.063 120.147 120.200 0.017 0.000 2.441 340 E HA 0.123 4.473 4.350 0.000 0.000 0.207 340 E C -0.301 176.267 176.600 -0.054 0.000 0.803 340 E CA 0.072 56.408 56.400 -0.106 0.000 1.240 340 E CB 0.758 30.108 29.700 -0.582 0.000 1.233 340 E HN 0.246 nan 8.360 nan 0.000 0.590 341 D N 0.817 121.262 120.400 0.077 0.000 2.613 341 D HA 0.116 4.756 4.640 0.000 0.000 0.312 341 D C 0.300 176.723 176.300 0.205 0.000 1.202 341 D CA -0.008 54.084 54.000 0.153 0.000 0.825 341 D CB 1.170 42.098 40.800 0.213 0.000 1.113 341 D HN 0.025 nan 8.370 nan 0.000 0.502 342 M N 0.151 119.869 119.600 0.197 0.000 2.319 342 M HA 0.017 4.497 4.480 0.000 0.000 0.265 342 M C 1.585 178.005 176.300 0.201 0.000 1.068 342 M CA 1.193 56.601 55.300 0.179 0.000 1.118 342 M CB 0.113 32.828 32.600 0.192 0.000 1.395 342 M HN 0.391 nan 8.290 nan 0.000 0.435 343 W N 0.254 121.552 121.300 -0.003 0.000 2.444 343 W HA 0.049 4.709 4.660 0.000 0.000 0.308 343 W C 1.752 178.359 176.519 0.146 0.000 1.183 343 W CA 1.580 58.936 57.345 0.019 0.000 1.340 343 W CB -0.956 28.364 29.460 -0.233 0.000 1.138 343 W HN 0.312 nan 8.180 nan 0.000 0.510 344 G N 1.498 110.506 108.800 0.346 0.000 2.875 344 G HA2 -0.428 3.532 3.960 0.000 0.000 0.220 344 G HA3 -0.428 3.532 3.960 0.000 0.000 0.220 344 G C 1.653 176.664 174.900 0.184 0.000 1.293 344 G CA 2.775 48.047 45.100 0.286 0.000 0.789 344 G HN 0.400 nan 8.290 nan 0.000 0.677 345 A N 0.281 123.223 122.820 0.204 0.000 1.873 345 A HA -0.068 4.252 4.320 0.000 0.000 0.218 345 A C 2.520 180.094 177.584 -0.017 0.000 1.193 345 A CA 1.953 54.103 52.037 0.189 0.000 0.629 345 A CB -0.561 18.595 19.000 0.260 0.000 0.826 345 A HN 0.601 nan 8.150 nan 0.000 0.447 346 I N -1.570 118.987 120.570 -0.022 0.000 2.286 346 I HA -0.289 3.881 4.170 0.000 0.000 0.248 346 I C 2.319 178.368 176.117 -0.113 0.000 1.115 346 I CA 2.002 63.269 61.300 -0.056 0.000 1.392 346 I CB -0.150 37.776 38.000 -0.123 0.000 1.065 346 I HN 0.499 nan 8.210 nan 0.000 0.418 347 H N 0.209 119.140 119.070 -0.232 0.000 2.395 347 H HA 0.042 4.598 4.556 0.000 0.000 0.299 347 H C 2.213 177.413 175.328 -0.214 0.000 1.070 347 H CA 1.393 57.271 56.048 -0.283 0.000 1.356 347 H CB -0.130 29.320 29.762 -0.521 0.000 1.401 347 H HN 0.434 nan 8.280 nan 0.000 0.524 348 A N 0.247 122.947 122.820 -0.201 0.000 1.898 348 A HA -0.179 4.141 4.320 0.000 0.000 0.216 348 A C 2.117 179.313 177.584 -0.645 0.000 1.181 348 A CA 1.360 53.121 52.037 -0.461 0.000 0.620 348 A CB -1.098 17.404 19.000 -0.830 0.000 0.819 348 A HN 0.696 nan 8.150 nan 0.000 0.442 349 W N 0.670 121.396 121.300 -0.956 0.000 2.358 349 W HA -0.202 4.458 4.660 0.000 0.000 0.303 349 W C 2.135 178.476 176.519 -0.296 0.000 1.208 349 W CA 2.043 58.956 57.345 -0.720 0.000 1.274 349 W CB -0.181 28.974 29.460 -0.509 0.000 1.138 349 W HN 0.389 nan 8.180 nan 0.000 0.515 350 Q N 0.966 120.573 119.800 -0.322 0.000 2.079 350 Q HA -0.075 4.265 4.340 0.000 0.000 0.200 350 Q C 2.274 178.049 176.000 -0.375 0.000 0.974 350 Q CA 2.604 58.104 55.803 -0.504 0.000 0.840 350 Q CB -0.878 27.728 28.738 -0.220 0.000 0.898 350 Q HN 0.278 nan 8.270 nan 0.000 0.430 351 A N 0.107 122.787 122.820 -0.233 0.000 1.933 351 A HA -0.132 4.188 4.320 0.000 0.000 0.218 351 A C 2.080 179.574 177.584 -0.151 0.000 1.175 351 A CA 1.436 53.392 52.037 -0.135 0.000 0.628 351 A CB -0.735 18.233 19.000 -0.054 0.000 0.814 351 A HN 0.455 nan 8.150 nan 0.000 0.444 352 L N -0.987 120.117 121.223 -0.198 0.000 2.109 352 L HA -0.127 4.213 4.340 0.000 0.000 0.207 352 L C 2.605 179.359 176.870 -0.192 0.000 1.086 352 L CA 1.514 56.273 54.840 -0.134 0.000 0.760 352 L CB -0.319 41.704 42.059 -0.060 0.000 0.910 352 L HN 0.383 nan 8.230 nan 0.000 0.437 353 K N 0.023 120.196 120.400 -0.378 0.000 2.057 353 K HA -0.179 4.141 4.320 0.000 0.000 0.206 353 K C 1.517 177.976 176.600 -0.236 0.000 1.050 353 K CA 1.493 57.547 56.287 -0.389 0.000 0.935 353 K CB 0.057 32.123 32.500 -0.723 0.000 0.715 353 K HN 0.236 nan 8.250 nan 0.000 0.439 354 D N 0.029 120.299 120.400 -0.217 0.000 2.219 354 D HA -0.092 4.548 4.640 0.000 0.000 0.205 354 D C 1.184 177.436 176.300 -0.080 0.000 0.970 354 D CA 0.820 54.741 54.000 -0.131 0.000 0.851 354 D CB 0.105 40.839 40.800 -0.110 0.000 0.943 354 D HN 0.246 nan 8.370 nan 0.000 0.488 355 A N 0.294 123.069 122.820 -0.074 0.000 2.307 355 A HA 0.063 4.383 4.320 0.000 0.000 0.218 355 A C 0.288 177.856 177.584 -0.026 0.000 1.228 355 A CA 0.140 52.156 52.037 -0.035 0.000 0.857 355 A CB -0.027 18.962 19.000 -0.019 0.000 0.897 355 A HN 0.018 nan 8.150 nan 0.000 0.495 356 D N -0.981 119.394 120.400 -0.042 0.000 2.697 356 D HA -0.146 4.494 4.640 0.000 0.000 0.238 356 D C -0.052 176.247 176.300 -0.001 0.000 1.152 356 D CA 0.870 54.857 54.000 -0.023 0.000 0.666 356 D CB -1.689 39.105 40.800 -0.010 0.000 1.037 356 D HN 0.414 nan 8.370 nan 0.000 0.423 357 V N 1.478 121.391 119.914 -0.002 0.000 2.694 357 V HA -0.025 4.095 4.120 0.000 0.000 0.306 357 V C 0.804 176.927 176.094 0.048 0.000 1.054 357 V CA 0.352 62.671 62.300 0.031 0.000 1.161 357 V CB 0.722 32.576 31.823 0.051 0.000 0.916 357 V HN 0.149 nan 8.190 nan 0.000 0.490 358 K N 6.351 126.782 120.400 0.052 0.000 2.758 358 K HA 0.612 4.933 4.320 0.000 0.000 0.250 358 K C -0.225 176.415 176.600 0.067 0.000 1.268 358 K CA 0.389 56.710 56.287 0.057 0.000 1.228 358 K CB 0.258 32.785 32.500 0.045 0.000 1.715 358 K HN 0.827 nan 8.250 nan 0.000 0.334 359 A N 1.220 124.094 122.820 0.090 0.000 2.590 359 A HA 0.465 4.785 4.320 0.000 0.000 0.294 359 A C -2.967 174.712 177.584 0.158 0.000 1.046 359 A CA -1.248 50.850 52.037 0.102 0.000 0.684 359 A CB 0.874 19.919 19.000 0.076 0.000 1.279 359 A HN 0.071 nan 8.150 nan 0.000 0.415 360 P HA 0.201 nan 4.420 nan 0.000 0.261 360 P C -0.707 176.775 177.300 0.304 0.000 1.183 360 P CA 0.743 64.019 63.100 0.293 0.000 0.761 360 P CB 0.219 32.185 31.700 0.442 0.000 0.785 361 N N 1.740 120.631 118.700 0.319 0.000 2.675 361 N HA 0.209 4.949 4.740 0.000 0.000 0.254 361 N C -1.519 174.335 175.510 0.574 0.000 1.224 361 N CA -0.267 53.044 53.050 0.435 0.000 0.777 361 N CB 0.619 39.302 38.487 0.326 0.000 1.256 361 N HN 0.049 nan 8.380 nan 0.000 0.531 362 T N 2.193 116.995 114.554 0.413 0.000 2.823 362 T HA 0.453 4.803 4.350 0.000 0.000 0.279 362 T C -0.771 173.924 174.700 -0.008 0.000 0.998 362 T CA -0.422 61.803 62.100 0.209 0.000 0.994 362 T CB 1.161 70.011 68.868 -0.029 0.000 0.960 362 T HN 0.328 nan 8.240 nan 0.000 0.448 363 L N 4.745 125.674 121.223 -0.490 0.000 2.295 363 L HA 0.739 5.079 4.340 0.000 0.000 0.285 363 L C -1.101 175.452 176.870 -0.528 0.000 1.035 363 L CA -0.350 54.058 54.840 -0.719 0.000 0.806 363 L CB 1.077 42.169 42.059 -1.611 0.000 1.214 363 L HN 0.417 nan 8.230 nan 0.000 0.426 364 V N 6.578 126.262 119.914 -0.384 0.000 2.487 364 V HA 0.547 4.667 4.120 0.000 0.000 0.298 364 V C -0.174 175.714 176.094 -0.345 0.000 1.028 364 V CA -0.439 61.630 62.300 -0.386 0.000 0.860 364 V CB 1.660 33.215 31.823 -0.447 0.000 0.991 364 V HN 0.788 nan 8.190 nan 0.000 0.427 365 M N 4.010 123.389 119.600 -0.367 0.000 2.151 365 M HA 0.586 5.066 4.480 0.000 0.000 0.290 365 M C 0.214 176.140 176.300 -0.624 0.000 0.965 365 M CA -0.198 54.850 55.300 -0.420 0.000 0.930 365 M CB 2.106 34.443 32.600 -0.439 0.000 1.560 365 M HN 0.776 nan 8.290 nan 0.000 0.438 366 G N 2.293 110.376 108.800 -1.194 0.000 2.552 366 G HA2 0.728 4.688 3.960 0.000 0.000 0.324 366 G HA3 0.728 4.688 3.960 0.000 0.000 0.324 366 G C -2.764 171.102 174.900 -1.723 0.000 1.217 366 G CA -1.350 42.495 45.100 -2.092 0.000 0.989 366 G HN 0.411 nan 8.290 nan 0.000 0.490 367 P HA 0.173 nan 4.420 nan 0.000 0.220 367 P C -0.962 175.991 177.300 -0.579 0.000 1.806 367 P CA -0.086 62.332 63.100 -1.136 0.000 0.976 367 P CB -0.143 30.384 31.700 -1.956 0.000 1.952 368 W N 1.873 123.134 121.300 -0.066 0.000 2.820 368 W HA 0.428 5.088 4.660 0.000 0.000 0.350 368 W C 0.697 177.293 176.519 0.127 0.000 1.116 368 W CA -0.808 56.561 57.345 0.041 0.000 1.146 368 W CB 0.760 30.216 29.460 -0.007 0.000 1.433 368 W HN 0.039 nan 8.180 nan 0.000 0.561 369 R N -0.263 120.449 120.500 0.353 0.000 2.524 369 R HA 0.361 4.701 4.340 0.000 0.000 0.236 369 R C -0.101 176.345 176.300 0.244 0.000 1.240 369 R CA -0.738 55.499 56.100 0.228 0.000 1.111 369 R CB -0.348 30.021 30.300 0.115 0.000 1.436 369 R HN 0.365 nan 8.270 nan 0.000 0.573 370 H N -0.040 119.099 119.070 0.114 0.000 3.107 370 H HA 0.034 4.590 4.556 0.000 0.000 0.301 370 H C -0.278 175.152 175.328 0.169 0.000 0.981 370 H CA 1.506 57.639 56.048 0.141 0.000 1.443 370 H CB 0.076 29.918 29.762 0.134 0.000 1.479 370 H HN 0.698 nan 8.280 nan 0.000 0.564 371 S N 1.901 117.400 115.700 -0.335 0.000 3.270 371 S HA -0.241 4.229 4.470 0.000 0.000 0.293 371 S C 1.843 176.479 174.600 0.059 0.000 1.278 371 S CA 0.897 58.987 58.200 -0.183 0.000 1.038 371 S CB -1.662 61.432 63.200 -0.176 0.000 1.218 371 S HN 1.028 nan 8.310 nan 0.000 0.659 372 G N 0.422 109.264 108.800 0.070 0.000 2.498 372 G HA2 -0.084 3.876 3.960 0.000 0.000 0.219 372 G HA3 -0.084 3.876 3.960 0.000 0.000 0.219 372 G C 1.216 175.898 174.900 -0.363 0.000 1.119 372 G CA 0.939 46.074 45.100 0.058 0.000 0.766 372 G HN 0.693 nan 8.290 nan 0.000 0.552 373 V N 0.984 120.522 119.914 -0.627 0.000 2.720 373 V HA -0.080 4.040 4.120 0.000 0.000 0.256 373 V C 1.579 177.375 176.094 -0.496 0.000 1.082 373 V CA 1.701 63.385 62.300 -1.026 0.000 1.101 373 V CB -0.288 31.069 31.823 -0.777 0.000 0.693 373 V HN 0.339 nan 8.190 nan 0.000 0.479 374 N N -1.246 117.234 118.700 -0.367 0.000 2.268 374 N HA 0.169 4.909 4.740 0.000 0.000 0.204 374 N C -0.330 174.704 175.510 -0.793 0.000 1.124 374 N CA 0.215 52.968 53.050 -0.495 0.000 0.838 374 N CB 0.382 38.550 38.487 -0.531 0.000 0.994 374 N HN 0.613 nan 8.380 nan 0.000 0.489 375 Y N -0.604 119.624 120.300 -0.120 0.000 3.326 375 Y HA 0.302 4.852 4.550 0.000 0.000 0.269 375 Y C 0.483 176.353 175.900 -0.050 0.000 2.118 375 Y CA -1.118 56.946 58.100 -0.061 0.000 0.942 375 Y CB 0.183 38.619 38.460 -0.040 0.000 1.585 375 Y HN -0.229 nan 8.280 nan 0.000 0.542 376 N N 0.499 119.312 118.700 0.189 0.000 2.426 376 N HA 0.237 4.977 4.740 0.000 0.000 0.275 376 N C -0.177 175.430 175.510 0.160 0.000 1.019 376 N CA 0.114 53.244 53.050 0.132 0.000 0.941 376 N CB 1.532 40.085 38.487 0.109 0.000 1.123 376 N HN 0.861 nan 8.380 nan 0.000 0.486 377 G N 1.612 110.536 108.800 0.207 0.000 3.820 377 G HA2 0.061 4.021 3.960 0.000 0.000 0.293 377 G HA3 0.061 4.021 3.960 0.000 0.000 0.293 377 G C 0.670 175.801 174.900 0.386 0.000 1.152 377 G CA -0.280 45.038 45.100 0.364 0.000 0.921 377 G HN 0.542 nan 8.290 nan 0.000 0.544 378 S N -0.075 115.793 115.700 0.279 0.000 2.446 378 S HA 0.074 4.544 4.470 0.000 0.000 0.225 378 S C 1.444 176.150 174.600 0.176 0.000 1.016 378 S CA 0.987 59.325 58.200 0.230 0.000 0.943 378 S CB 0.208 63.482 63.200 0.124 0.000 0.786 378 S HN 0.692 nan 8.310 nan 0.000 0.508 379 T N -0.861 113.784 114.554 0.152 0.000 2.812 379 T HA 0.732 5.082 4.350 0.000 0.000 0.294 379 T C -1.613 173.143 174.700 0.093 0.000 1.159 379 T CA -0.828 61.225 62.100 -0.079 0.000 1.008 379 T CB 1.869 70.668 68.868 -0.116 0.000 1.289 379 T HN -0.024 nan 8.240 nan 0.000 0.514 380 L N 0.887 122.059 121.223 -0.086 0.000 2.753 380 L HA 0.595 4.935 4.340 0.000 0.000 0.259 380 L C 0.508 177.266 176.870 -0.187 0.000 0.958 380 L CA 1.479 56.304 54.840 -0.025 0.000 0.955 380 L CB 0.768 42.905 42.059 0.130 0.000 1.317 380 L HN 1.626 nan 8.230 nan 0.000 0.436 381 G N 5.593 114.309 108.800 -0.140 0.000 2.556 381 G HA2 -0.263 3.697 3.960 0.000 0.000 0.283 381 G HA3 -0.263 3.697 3.960 0.000 0.000 0.283 381 G C -1.709 173.086 174.900 -0.174 0.000 1.177 381 G CA 0.222 45.236 45.100 -0.144 0.000 0.978 381 G HN 0.607 nan 8.290 nan 0.000 0.554 382 P HA 0.261 nan 4.420 nan 0.000 0.245 382 P C 0.854 177.950 177.300 -0.340 0.000 1.206 382 P CA 0.254 63.210 63.100 -0.240 0.000 0.781 382 P CB 0.037 31.588 31.700 -0.248 0.000 0.994 383 L N 0.521 121.488 121.223 -0.428 0.000 2.397 383 L HA 0.240 4.580 4.340 0.000 0.000 0.271 383 L C 0.553 176.971 176.870 -0.753 0.000 1.148 383 L CA 0.061 54.552 54.840 -0.581 0.000 0.825 383 L CB 0.291 41.962 42.059 -0.648 0.000 1.117 383 L HN -0.115 nan 8.230 nan 0.000 0.456 384 E N 1.967 121.736 120.200 -0.717 0.000 2.224 384 E HA 0.482 4.832 4.350 0.000 0.000 0.265 384 E C -1.328 174.935 176.600 -0.562 0.000 0.878 384 E CA -0.501 55.546 56.400 -0.588 0.000 0.759 384 E CB 1.777 31.316 29.700 -0.267 0.000 1.164 384 E HN 0.204 nan 8.360 nan 0.000 0.414 385 F N 0.579 120.524 119.950 -0.008 0.000 2.518 385 F HA 0.299 4.826 4.527 0.000 0.000 0.338 385 F C 0.986 176.820 175.800 0.057 0.000 1.065 385 F CA -1.066 56.943 58.000 0.015 0.000 1.012 385 F CB 0.691 39.598 39.000 -0.156 0.000 1.297 385 F HN 0.210 nan 8.300 nan 0.000 0.489 386 E N 1.778 122.184 120.200 0.343 0.000 1.814 386 E HA 0.385 4.735 4.350 0.000 0.000 0.264 386 E C 0.558 177.295 176.600 0.228 0.000 1.179 386 E CA 0.210 56.753 56.400 0.237 0.000 0.972 386 E CB -0.173 29.661 29.700 0.223 0.000 1.077 386 E HN 0.786 nan 8.360 nan 0.000 0.417 387 G N 3.159 112.070 108.800 0.186 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 -0.409 174.621 174.900 0.217 0.000 1.359 387 G CA -0.563 44.647 45.100 0.184 0.000 0.861 387 G HN 0.487 nan 8.290 nan 0.000 0.541 388 D N 0.887 121.418 120.400 0.219 0.000 2.455 388 D HA 0.341 4.981 4.640 0.000 0.000 0.234 388 D C 2.184 178.689 176.300 0.341 0.000 1.224 388 D CA 0.843 54.993 54.000 0.249 0.000 0.999 388 D CB -0.044 40.878 40.800 0.203 0.000 1.072 388 D HN 0.762 nan 8.370 nan 0.000 0.514 389 T N 0.651 115.430 114.554 0.375 0.000 2.803 389 T HA -0.174 4.176 4.350 0.000 0.000 0.269 389 T C 1.835 177.002 174.700 0.778 0.000 1.052 389 T CA 1.040 63.469 62.100 0.547 0.000 1.136 389 T CB -0.088 68.866 68.868 0.143 0.000 0.864 389 T HN 0.251 nan 8.240 nan 0.000 0.467 390 A N 1.458 124.611 122.820 0.555 0.000 1.873 390 A HA -0.077 4.243 4.320 0.000 0.000 0.215 390 A C 2.238 179.938 177.584 0.194 0.000 1.186 390 A CA 1.929 54.052 52.037 0.143 0.000 0.616 390 A CB -1.258 17.576 19.000 -0.277 0.000 0.823 390 A HN 0.730 nan 8.150 nan 0.000 0.442 391 H N -0.333 118.803 119.070 0.111 0.000 2.387 391 H HA -0.086 4.470 4.556 0.000 0.000 0.299 391 H C 2.101 177.471 175.328 0.069 0.000 1.090 391 H CA 2.104 58.182 56.048 0.050 0.000 1.332 391 H CB -0.196 29.589 29.762 0.039 0.000 1.386 391 H HN 0.586 nan 8.280 nan 0.000 0.516 392 Q N -0.988 118.890 119.800 0.131 0.000 2.061 392 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 392 Q C 2.019 177.982 176.000 -0.061 0.000 0.984 392 Q CA 1.976 57.817 55.803 0.064 0.000 0.846 392 Q CB -0.361 28.567 28.738 0.316 0.000 0.902 392 Q HN 0.685 nan 8.270 nan 0.000 0.421 393 Y N 0.940 121.202 120.300 -0.063 0.000 2.163 393 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 393 Y C 2.149 177.972 175.900 -0.128 0.000 1.136 393 Y CA 1.403 59.394 58.100 -0.182 0.000 1.147 393 Y CB 0.045 38.504 38.460 -0.001 0.000 0.987 393 Y HN -0.087 nan 8.280 nan 0.000 0.509 394 R N 0.086 120.364 120.500 -0.370 0.000 2.091 394 R HA -0.201 4.139 4.340 0.000 0.000 0.238 394 R C 2.542 178.530 176.300 -0.521 0.000 1.136 394 R CA 1.868 57.705 56.100 -0.440 0.000 0.959 394 R CB -0.403 29.761 30.300 -0.228 0.000 0.856 394 R HN 0.391 nan 8.270 nan 0.000 0.437 395 R N 0.548 120.742 120.500 -0.510 0.000 2.075 395 R HA -0.087 4.253 4.340 0.000 0.000 0.226 395 R C 0.886 176.992 176.300 -0.324 0.000 1.114 395 R CA 1.562 57.382 56.100 -0.466 0.000 0.972 395 R CB 0.165 30.124 30.300 -0.569 0.000 0.869 395 R HN 0.133 nan 8.270 nan 0.000 0.437 396 D N -0.549 119.683 120.400 -0.280 0.000 2.327 396 D HA 0.001 4.641 4.640 0.000 0.000 0.205 396 D C 1.570 177.779 176.300 -0.151 0.000 0.989 396 D CA 0.600 54.491 54.000 -0.182 0.000 0.873 396 D CB 0.708 41.425 40.800 -0.139 0.000 0.955 396 D HN 0.118 nan 8.370 nan 0.000 0.515 397 V N 0.127 119.900 119.914 -0.234 0.000 3.134 397 V HA 0.002 4.122 4.120 0.000 0.000 0.222 397 V C 1.805 177.836 176.094 -0.105 0.000 1.247 397 V CA -0.140 62.067 62.300 -0.154 0.000 1.281 397 V CB -0.218 31.526 31.823 -0.131 0.000 1.169 397 V HN -0.045 nan 8.190 nan 0.000 0.512 398 F N 2.472 122.027 119.950 -0.658 0.000 2.025 398 F HA -0.230 4.297 4.527 0.000 0.000 0.297 398 F C 2.632 178.290 175.800 -0.236 0.000 1.132 398 F CA 2.711 60.400 58.000 -0.519 0.000 1.191 398 F CB -0.660 37.804 39.000 -0.894 0.000 0.963 398 F HN 0.114 nan 8.300 nan 0.000 0.481 399 R N 0.741 121.006 120.500 -0.391 0.000 2.080 399 R HA -0.133 4.207 4.340 0.000 0.000 0.236 399 R C -0.832 175.427 176.300 -0.069 0.000 1.137 399 R CA 2.153 57.952 56.100 -0.502 0.000 0.943 399 R CB -1.913 27.977 30.300 -0.684 0.000 0.846 399 R HN 0.204 nan 8.270 nan 0.000 0.431 400 P HA -0.096 nan 4.420 nan 0.000 0.217 400 P C 1.021 178.421 177.300 0.167 0.000 1.150 400 P CA 1.139 64.267 63.100 0.047 0.000 0.832 400 P CB -0.219 31.490 31.700 0.015 0.000 0.787 401 F N -1.254 118.781 119.950 0.141 0.000 2.134 401 F HA -0.181 4.346 4.527 0.000 0.000 0.299 401 F C 1.936 177.987 175.800 0.418 0.000 1.097 401 F CA 1.284 59.443 58.000 0.264 0.000 1.264 401 F CB -0.381 38.832 39.000 0.354 0.000 1.001 401 F HN -0.233 nan 8.300 nan 0.000 0.479 402 F N 1.057 121.146 119.950 0.232 0.000 2.206 402 F HA -0.142 4.385 4.527 0.000 0.000 0.298 402 F C 2.217 178.108 175.800 0.152 0.000 1.090 402 F CA 1.405 59.527 58.000 0.205 0.000 1.323 402 F CB -0.981 38.224 39.000 0.342 0.000 1.028 402 F HN -0.049 nan 8.300 nan 0.000 0.492 403 D N -0.105 120.472 120.400 0.295 0.000 2.144 403 D HA -0.195 4.445 4.640 0.000 0.000 0.199 403 D C 2.208 178.481 176.300 -0.046 0.000 0.984 403 D CA 1.085 55.174 54.000 0.149 0.000 0.834 403 D CB -0.340 40.520 40.800 0.100 0.000 0.955 403 D HN 0.376 nan 8.370 nan 0.000 0.465 404 E N -0.728 119.361 120.200 -0.184 0.000 2.085 404 E HA -0.211 4.139 4.350 0.000 0.000 0.194 404 E C 1.281 177.551 176.600 -0.549 0.000 0.994 404 E CA 1.091 57.220 56.400 -0.452 0.000 0.801 404 E CB -0.015 29.240 29.700 -0.741 0.000 0.743 404 E HN 0.446 nan 8.360 nan 0.000 0.453 405 Y N -0.894 119.287 120.300 -0.199 0.000 2.497 405 Y HA 0.169 4.719 4.550 0.000 0.000 0.265 405 Y C 1.768 177.562 175.900 -0.176 0.000 1.111 405 Y CA 0.007 57.981 58.100 -0.211 0.000 1.288 405 Y CB 0.501 38.775 38.460 -0.311 0.000 1.082 405 Y HN -0.001 nan 8.280 nan 0.000 0.536 406 L N -0.623 120.582 121.223 -0.030 0.000 2.515 406 L HA 0.169 4.509 4.340 0.000 0.000 0.223 406 L C 0.115 176.920 176.870 -0.110 0.000 1.079 406 L CA 0.521 55.321 54.840 -0.066 0.000 0.857 406 L CB 0.303 42.349 42.059 -0.022 0.000 1.050 406 L HN -0.135 nan 8.230 nan 0.000 0.476 407 K N 1.121 121.466 120.400 -0.091 0.000 2.540 407 K HA 0.320 4.640 4.320 0.000 0.000 0.218 407 K C -2.485 174.060 176.600 -0.091 0.000 1.017 407 K CA -1.826 54.400 56.287 -0.102 0.000 1.029 407 K CB 1.400 33.849 32.500 -0.085 0.000 1.348 407 K HN -0.231 nan 8.250 nan 0.000 0.508 408 P HA -0.093 nan 4.420 nan 0.000 0.261 408 P C 0.768 178.026 177.300 -0.070 0.000 1.173 408 P CA 1.132 64.186 63.100 -0.077 0.000 0.760 408 P CB 0.663 32.324 31.700 -0.066 0.000 0.783 409 G N 1.557 110.314 108.800 -0.071 0.000 2.195 409 G HA2 -0.211 3.749 3.960 0.000 0.000 0.224 409 G HA3 -0.211 3.749 3.960 0.000 0.000 0.224 409 G C 0.418 175.279 174.900 -0.064 0.000 0.990 409 G CA -0.142 44.923 45.100 -0.059 0.000 0.639 409 G HN 0.570 nan 8.290 nan 0.000 0.514 410 S N 0.829 116.481 115.700 -0.080 0.000 2.585 410 S HA 0.636 5.106 4.470 0.000 0.000 0.273 410 S C 0.916 175.458 174.600 -0.096 0.000 1.339 410 S CA 0.222 58.374 58.200 -0.080 0.000 1.028 410 S CB 1.365 64.514 63.200 -0.083 0.000 0.906 410 S HN 1.590 nan 8.310 nan 0.000 0.528 411 A N 2.568 125.342 122.820 -0.078 0.000 2.498 411 A HA 0.357 4.677 4.320 0.000 0.000 0.239 411 A C 0.533 178.042 177.584 -0.126 0.000 1.068 411 A CA -0.197 51.793 52.037 -0.079 0.000 0.766 411 A CB -0.026 18.943 19.000 -0.051 0.000 1.003 411 A HN 0.665 nan 8.150 nan 0.000 0.497 412 S N 0.030 115.642 115.700 -0.146 0.000 2.565 412 S HA 0.446 4.916 4.470 0.000 0.000 0.274 412 S C 0.203 174.627 174.600 -0.293 0.000 1.309 412 S CA -0.179 57.870 58.200 -0.251 0.000 1.043 412 S CB 0.967 64.016 63.200 -0.251 0.000 0.939 412 S HN 1.331 nan 8.310 nan 0.000 0.504 413 V N 1.577 121.317 119.914 -0.290 0.000 2.581 413 V HA 0.581 4.701 4.120 0.000 0.000 0.303 413 V C -0.777 175.158 176.094 -0.265 0.000 1.041 413 V CA -0.682 61.515 62.300 -0.172 0.000 0.907 413 V CB 1.431 33.293 31.823 0.064 0.000 0.994 413 V HN 0.890 nan 8.190 nan 0.000 0.442 414 H N 4.815 123.969 119.070 0.139 0.000 2.632 414 H HA 0.466 5.022 4.556 0.000 0.000 0.258 414 H C -0.825 174.602 175.328 0.164 0.000 1.278 414 H CA -0.556 55.582 56.048 0.150 0.000 1.352 414 H CB 1.350 31.177 29.762 0.107 0.000 1.418 414 H HN 0.443 nan 8.280 nan 0.000 0.513 415 L N 5.054 126.429 121.223 0.254 0.000 2.397 415 L HA 0.206 4.546 4.340 0.000 0.000 0.271 415 L C -1.337 175.653 176.870 0.200 0.000 1.148 415 L CA -1.423 53.533 54.840 0.194 0.000 0.825 415 L CB 0.281 42.387 42.059 0.079 0.000 1.117 415 L HN 0.414 nan 8.230 nan 0.000 0.456 416 P HA 0.183 nan 4.420 nan 0.000 0.297 416 P C -0.027 177.387 177.300 0.190 0.000 1.303 416 P CA -0.422 62.794 63.100 0.193 0.000 0.753 416 P CB 0.815 32.633 31.700 0.198 0.000 1.281 417 D N -0.937 119.618 120.400 0.257 0.000 2.117 417 D HA 0.035 4.675 4.640 0.000 0.000 0.197 417 D C 0.511 176.954 176.300 0.238 0.000 0.987 417 D CA 1.478 55.711 54.000 0.387 0.000 0.829 417 D CB -0.221 40.878 40.800 0.499 0.000 0.961 417 D HN 0.516 nan 8.370 nan 0.000 0.460 418 A N -0.654 122.196 122.820 0.050 0.000 2.520 418 A HA 0.637 4.957 4.320 0.000 0.000 0.298 418 A C -1.255 176.124 177.584 -0.343 0.000 1.051 418 A CA -0.579 51.283 52.037 -0.291 0.000 0.690 418 A CB 1.296 19.934 19.000 -0.603 0.000 1.281 418 A HN 0.038 nan 8.150 nan 0.000 0.402 419 I N 2.723 123.016 120.570 -0.462 0.000 2.390 419 I HA 0.427 4.597 4.170 0.000 0.000 0.283 419 I C -1.042 174.874 176.117 -0.335 0.000 1.016 419 I CA -0.099 60.876 61.300 -0.541 0.000 1.151 419 I CB 1.067 38.657 38.000 -0.683 0.000 1.293 419 I HN 0.481 nan 8.210 nan 0.000 0.458 420 I N 5.721 126.124 120.570 -0.277 0.000 2.498 420 I HA 0.292 4.462 4.170 0.000 0.000 0.290 420 I C -0.742 175.238 176.117 -0.229 0.000 1.032 420 I CA -0.983 60.165 61.300 -0.254 0.000 1.073 420 I CB 2.009 39.748 38.000 -0.435 0.000 1.251 420 I HN 0.369 nan 8.210 nan 0.000 0.426 421 Y N 5.702 125.601 120.300 -0.670 0.000 2.425 421 Y HA 0.147 4.697 4.550 0.000 0.000 0.331 421 Y C 0.464 176.000 175.900 -0.607 0.000 1.157 421 Y CA 0.183 57.680 58.100 -1.006 0.000 1.372 421 Y CB 0.621 38.126 38.460 -1.591 0.000 1.253 421 Y HN 0.525 nan 8.280 nan 0.000 0.536 422 N N 3.680 121.828 118.700 -0.920 0.000 2.420 422 N HA 0.013 4.753 4.740 0.000 0.000 0.249 422 N C 0.379 175.597 175.510 -0.487 0.000 1.033 422 N CA 0.316 53.032 53.050 -0.555 0.000 0.944 422 N CB 1.125 39.348 38.487 -0.440 0.000 1.113 422 N HN 0.880 nan 8.380 nan 0.000 0.502 423 T N -0.120 114.348 114.554 -0.143 0.000 3.160 423 T HA 0.084 4.434 4.350 0.000 0.000 0.257 423 T C 1.357 176.106 174.700 0.081 0.000 1.147 423 T CA 0.493 62.686 62.100 0.156 0.000 1.064 423 T CB 0.210 69.244 68.868 0.276 0.000 0.949 423 T HN 0.446 nan 8.240 nan 0.000 0.526 424 G N 0.914 109.547 108.800 -0.278 0.000 2.763 424 G HA2 0.087 4.047 3.960 0.000 0.000 0.205 424 G HA3 0.087 4.047 3.960 0.000 0.000 0.205 424 G C 1.122 175.852 174.900 -0.283 0.000 1.137 424 G CA -0.023 44.783 45.100 -0.491 0.000 0.839 424 G HN 0.360 nan 8.290 nan 0.000 0.596 425 D N 0.597 120.829 120.400 -0.280 0.000 2.323 425 D HA 0.064 4.704 4.640 0.000 0.000 0.209 425 D C 0.512 176.675 176.300 -0.227 0.000 0.973 425 D CA 0.365 54.231 54.000 -0.223 0.000 0.874 425 D CB 0.165 40.836 40.800 -0.215 0.000 0.930 425 D HN 0.105 nan 8.370 nan 0.000 0.521 426 Q N -0.188 119.421 119.800 -0.318 0.000 2.464 426 Q HA -0.205 4.135 4.340 0.000 0.000 0.304 426 Q C -0.244 175.484 176.000 -0.453 0.000 1.401 426 Q CA 0.839 56.461 55.803 -0.301 0.000 0.806 426 Q CB -2.019 26.730 28.738 0.020 0.000 1.134 426 Q HN 0.573 nan 8.270 nan 0.000 0.411 427 K N -2.426 117.451 120.400 -0.871 0.000 2.579 427 K HA 0.582 4.902 4.320 0.000 0.000 0.284 427 K C -1.278 174.900 176.600 -0.703 0.000 0.990 427 K CA -1.028 54.929 56.287 -0.549 0.000 0.880 427 K CB 0.921 33.288 32.500 -0.223 0.000 1.488 427 K HN -0.021 nan 8.250 nan 0.000 0.425 428 W N 1.819 122.990 121.300 -0.215 0.000 2.322 428 W HA 0.259 4.919 4.660 0.000 0.000 0.307 428 W C -0.479 175.945 176.519 -0.158 0.000 1.220 428 W CA 0.068 57.326 57.345 -0.146 0.000 1.210 428 W CB 1.064 30.559 29.460 0.059 0.000 1.223 428 W HN 0.363 nan 8.180 nan 0.000 0.511 429 D N 2.554 122.904 120.400 -0.083 0.000 2.193 429 D HA 0.170 4.810 4.640 0.000 0.000 0.244 429 D C -1.193 174.837 176.300 -0.450 0.000 1.064 429 D CA -0.469 53.321 54.000 -0.350 0.000 0.845 429 D CB 1.185 41.552 40.800 -0.721 0.000 1.148 429 D HN 0.267 nan 8.370 nan 0.000 0.464 430 Y N 1.592 121.610 120.300 -0.469 0.000 2.402 430 Y HA 0.234 4.784 4.550 0.000 0.000 0.332 430 Y C -0.400 175.327 175.900 -0.288 0.000 0.960 430 Y CA -0.790 57.132 58.100 -0.296 0.000 1.228 430 Y CB 0.728 39.110 38.460 -0.130 0.000 1.120 430 Y HN 0.276 nan 8.280 nan 0.000 0.491 431 Y N 3.515 123.851 120.300 0.059 0.000 2.434 431 Y HA 0.262 4.812 4.550 0.000 0.000 0.341 431 Y C 1.483 177.480 175.900 0.161 0.000 0.965 431 Y CA -0.702 57.471 58.100 0.121 0.000 1.205 431 Y CB 0.990 39.536 38.460 0.143 0.000 1.121 431 Y HN 0.616 nan 8.280 nan 0.000 0.507 432 R N 1.210 121.895 120.500 0.308 0.000 2.091 432 R HA -0.123 4.217 4.340 0.000 0.000 0.238 432 R C 0.177 176.633 176.300 0.261 0.000 1.136 432 R CA 1.280 57.525 56.100 0.242 0.000 0.959 432 R CB 0.085 30.495 30.300 0.184 0.000 0.856 432 R HN 0.450 nan 8.270 nan 0.000 0.437 433 S N -0.743 115.124 115.700 0.278 0.000 2.659 433 S HA 0.383 4.853 4.470 0.000 0.000 0.312 433 S C -2.081 172.704 174.600 0.309 0.000 1.114 433 S CA -0.758 57.591 58.200 0.249 0.000 1.063 433 S CB 0.783 64.070 63.200 0.146 0.000 0.996 433 S HN 0.337 nan 8.310 nan 0.000 0.478 434 W N 6.564 127.952 121.300 0.146 0.000 3.129 434 W HA 0.584 5.244 4.660 0.000 0.000 0.333 434 W C -2.875 173.761 176.519 0.195 0.000 1.141 434 W CA -1.618 55.774 57.345 0.079 0.000 1.224 434 W CB 1.458 30.951 29.460 0.054 0.000 1.393 434 W HN 0.454 nan 8.180 nan 0.000 0.499 435 P HA 0.237 nan 4.420 nan 0.000 0.278 435 P C 0.283 177.281 177.300 -0.503 0.000 1.266 435 P CA -0.203 62.149 63.100 -1.247 0.000 0.807 435 P CB 1.524 32.379 31.700 -1.408 0.000 1.094 436 S N -1.135 114.312 115.700 -0.422 0.000 2.524 436 S HA 0.179 4.649 4.470 0.000 0.000 0.216 436 S C 0.551 175.036 174.600 -0.191 0.000 0.987 436 S CA 0.064 58.139 58.200 -0.209 0.000 0.909 436 S CB -0.710 62.409 63.200 -0.136 0.000 0.781 436 S HN 0.371 nan 8.310 nan 0.000 0.521 437 V N -0.354 119.407 119.914 -0.255 0.000 2.760 437 V HA 0.905 5.025 4.120 0.000 0.000 0.309 437 V C -0.275 175.690 176.094 -0.215 0.000 1.077 437 V CA -0.821 61.366 62.300 -0.188 0.000 0.910 437 V CB 0.362 32.100 31.823 -0.141 0.000 1.008 437 V HN 0.854 nan 8.190 nan 0.000 0.424 438 C N 1.931 121.140 119.300 -0.151 0.000 3.253 438 C HA 0.558 5.018 4.460 0.000 0.000 0.362 438 C C 0.993 175.938 174.990 -0.075 0.000 1.487 438 C CA 0.070 59.008 59.018 -0.134 0.000 1.179 438 C CB 1.175 28.814 27.740 -0.169 0.000 1.660 438 C HN 0.969 nan 8.230 nan 0.000 0.438 439 E N 0.944 121.117 120.200 -0.045 0.000 2.072 439 E HA 0.079 4.430 4.350 0.000 0.000 0.190 439 E C 0.281 176.873 176.600 -0.015 0.000 0.982 439 E CA 1.362 57.758 56.400 -0.006 0.000 0.803 439 E CB 0.087 29.813 29.700 0.044 0.000 0.755 439 E HN 0.656 nan 8.360 nan 0.000 0.453 440 S N 0.216 115.900 115.700 -0.026 0.000 2.547 440 S HA 0.276 4.746 4.470 0.000 0.000 0.281 440 S C -0.556 174.019 174.600 -0.042 0.000 1.118 440 S CA -0.766 57.418 58.200 -0.026 0.000 0.947 440 S CB 1.651 64.844 63.200 -0.012 0.000 1.053 440 S HN 0.186 nan 8.310 nan 0.000 0.482 441 N N 0.042 118.719 118.700 -0.038 0.000 2.780 441 N HA -0.151 4.589 4.740 0.000 0.000 0.248 441 N C -0.927 174.549 175.510 -0.057 0.000 1.102 441 N CA 0.647 53.671 53.050 -0.043 0.000 0.697 441 N CB -1.506 36.956 38.487 -0.042 0.000 1.028 441 N HN 0.558 nan 8.380 nan 0.000 0.554 442 C N -2.001 117.263 119.300 -0.062 0.000 2.719 442 C HA 0.490 4.950 4.460 0.000 0.000 0.327 442 C C 2.255 177.210 174.990 -0.059 0.000 1.238 442 C CA -0.387 58.585 59.018 -0.076 0.000 1.727 442 C CB 1.288 28.962 27.740 -0.110 0.000 2.256 442 C HN 0.540 nan 8.230 nan 0.000 0.489 443 T N 0.866 115.385 114.554 -0.058 0.000 2.759 443 T HA 0.061 4.411 4.350 0.000 0.000 0.269 443 T C 0.732 175.406 174.700 -0.042 0.000 1.042 443 T CA 1.753 63.828 62.100 -0.041 0.000 1.140 443 T CB -0.203 68.644 68.868 -0.035 0.000 0.864 443 T HN 0.928 nan 8.240 nan 0.000 0.455 444 G N -0.873 107.892 108.800 -0.057 0.000 2.658 444 G HA2 0.617 4.577 3.960 0.000 0.000 0.292 444 G HA3 0.617 4.577 3.960 0.000 0.000 0.292 444 G C -0.405 174.460 174.900 -0.058 0.000 1.320 444 G CA -0.361 44.709 45.100 -0.051 0.000 0.933 444 G HN 0.359 nan 8.290 nan 0.000 0.476 445 G N -1.342 107.431 108.800 -0.045 0.000 2.531 445 G HA2 0.567 4.527 3.960 0.000 0.000 0.313 445 G HA3 0.567 4.527 3.960 0.000 0.000 0.313 445 G C -0.129 174.745 174.900 -0.043 0.000 1.238 445 G CA -0.871 44.205 45.100 -0.040 0.000 0.994 445 G HN 0.608 nan 8.290 nan 0.000 0.493 446 L N -0.519 120.683 121.223 -0.034 0.000 2.439 446 L HA 0.372 4.712 4.340 0.000 0.000 0.261 446 L C 0.315 177.177 176.870 -0.013 0.000 1.153 446 L CA -0.291 54.530 54.840 -0.032 0.000 0.808 446 L CB 1.272 43.310 42.059 -0.035 0.000 1.126 446 L HN 0.313 nan 8.230 nan 0.000 0.460 447 T N 2.010 116.566 114.554 0.002 0.000 2.788 447 T HA 0.340 4.690 4.350 0.000 0.000 0.296 447 T C -2.499 172.234 174.700 0.055 0.000 1.009 447 T CA -1.285 60.839 62.100 0.040 0.000 0.949 447 T CB 1.389 70.276 68.868 0.033 0.000 0.946 447 T HN 0.262 nan 8.240 nan 0.000 0.453 448 P HA 0.242 nan 4.420 nan 0.000 0.271 448 P C -0.786 176.316 177.300 -0.330 0.000 1.226 448 P CA -0.703 62.217 63.100 -0.301 0.000 0.765 448 P CB 0.465 31.800 31.700 -0.607 0.000 0.835 449 L N 6.027 127.017 121.223 -0.389 0.000 2.283 449 L HA 0.384 4.724 4.340 0.000 0.000 0.281 449 L C -1.118 175.503 176.870 -0.416 0.000 1.033 449 L CA -0.808 53.731 54.840 -0.502 0.000 0.848 449 L CB -0.554 41.174 42.059 -0.552 0.000 1.226 449 L HN 0.206 nan 8.230 nan 0.000 0.429 450 Y N 4.150 124.336 120.300 -0.190 0.000 2.346 450 Y HA 0.316 4.866 4.550 0.000 0.000 0.330 450 Y C 0.257 176.023 175.900 -0.222 0.000 1.178 450 Y CA -0.269 57.740 58.100 -0.152 0.000 1.331 450 Y CB 0.604 39.006 38.460 -0.097 0.000 1.253 450 Y HN 0.393 nan 8.280 nan 0.000 0.529 451 L N 2.701 123.867 121.223 -0.095 0.000 2.397 451 L HA 0.511 4.852 4.340 0.000 0.000 0.271 451 L C 0.314 177.040 176.870 -0.240 0.000 1.148 451 L CA 0.346 54.994 54.840 -0.321 0.000 0.825 451 L CB 0.423 42.127 42.059 -0.591 0.000 1.117 451 L HN 0.852 nan 8.230 nan 0.000 0.456 452 A N 1.431 124.070 122.820 -0.301 0.000 2.524 452 A HA 0.634 4.954 4.320 0.000 0.000 0.286 452 A C -1.196 176.043 177.584 -0.575 0.000 1.203 452 A CA -0.606 51.204 52.037 -0.378 0.000 0.736 452 A CB 0.698 19.595 19.000 -0.172 0.000 1.322 452 A HN 0.772 nan 8.150 nan 0.000 0.424 453 D N -1.011 119.140 120.400 -0.415 0.000 2.368 453 D HA 0.389 5.029 4.640 0.000 0.000 0.240 453 D C 0.961 177.174 176.300 -0.144 0.000 1.169 453 D CA 0.674 54.520 54.000 -0.256 0.000 0.906 453 D CB 0.377 41.138 40.800 -0.065 0.000 1.187 453 D HN 1.813 nan 8.370 nan 0.000 0.435 454 G N 0.884 109.633 108.800 -0.085 0.000 2.198 454 G HA2 -0.367 3.593 3.960 0.000 0.000 0.260 454 G HA3 -0.367 3.593 3.960 0.000 0.000 0.260 454 G C 0.153 175.086 174.900 0.054 0.000 1.025 454 G CA 0.473 45.578 45.100 0.008 0.000 0.769 454 G HN 0.989 nan 8.290 nan 0.000 0.507 455 H N -2.242 116.756 119.070 -0.120 0.000 2.713 455 H HA -0.083 4.473 4.556 0.000 0.000 0.311 455 H C 1.466 176.781 175.328 -0.022 0.000 1.175 455 H CA 2.024 57.936 56.048 -0.226 0.000 1.143 455 H CB -1.258 28.279 29.762 -0.375 0.000 1.434 455 H HN 1.308 nan 8.280 nan 0.000 0.418 456 G N -0.589 108.275 108.800 0.107 0.000 2.552 456 G HA2 0.686 4.646 3.960 0.000 0.000 0.324 456 G HA3 0.686 4.646 3.960 0.000 0.000 0.324 456 G C -0.688 174.244 174.900 0.054 0.000 1.217 456 G CA -0.939 44.200 45.100 0.066 0.000 0.989 456 G HN 0.168 nan 8.290 nan 0.000 0.490 457 L N 0.367 121.576 121.223 -0.023 0.000 2.410 457 L HA 0.636 4.976 4.340 0.000 0.000 0.270 457 L C -0.241 176.540 176.870 -0.150 0.000 0.983 457 L CA -0.687 54.086 54.840 -0.111 0.000 0.822 457 L CB 2.312 44.280 42.059 -0.153 0.000 1.285 457 L HN 0.578 nan 8.230 nan 0.000 0.409 458 S N 1.079 116.686 115.700 -0.154 0.000 2.546 458 S HA 0.523 4.993 4.470 0.000 0.000 0.274 458 S C 0.064 174.624 174.600 -0.066 0.000 1.121 458 S CA -0.479 57.662 58.200 -0.100 0.000 0.887 458 S CB 1.081 64.275 63.200 -0.010 0.000 1.094 458 S HN 0.469 nan 8.310 nan 0.000 0.474 459 F N 1.819 121.829 119.950 0.100 0.000 2.780 459 F HA 0.162 4.689 4.527 0.000 0.000 0.299 459 F C 1.401 177.339 175.800 0.231 0.000 1.146 459 F CA 0.306 58.388 58.000 0.137 0.000 1.428 459 F CB 0.420 39.456 39.000 0.061 0.000 1.115 459 F HN 0.388 nan 8.300 nan 0.000 0.583 460 T N 0.055 114.786 114.554 0.296 0.000 2.767 460 T HA 0.030 4.380 4.350 0.000 0.000 0.288 460 T C -0.280 174.416 174.700 -0.006 0.000 0.963 460 T CA -0.398 61.801 62.100 0.166 0.000 1.019 460 T CB 0.331 69.248 68.868 0.082 0.000 0.923 460 T HN 0.086 nan 8.240 nan 0.000 0.468 461 H N 5.589 124.473 119.070 -0.310 0.000 3.091 461 H HA 0.113 4.669 4.556 0.000 0.000 0.289 461 H C -2.405 172.665 175.328 -0.430 0.000 0.995 461 H CA -1.393 54.137 56.048 -0.862 0.000 1.461 461 H CB 0.544 29.859 29.762 -0.745 0.000 1.510 461 H HN 0.265 nan 8.280 nan 0.000 0.546 462 P HA 0.087 nan 4.420 nan 0.000 0.271 462 P C 0.154 177.118 177.300 -0.560 0.000 1.233 462 P CA -0.111 62.692 63.100 -0.496 0.000 0.764 462 P CB 0.964 32.456 31.700 -0.348 0.000 0.825 463 A N 3.818 126.493 122.820 -0.242 0.000 1.898 463 A HA 0.164 4.484 4.320 0.000 0.000 0.216 463 A C 1.217 178.740 177.584 -0.102 0.000 1.181 463 A CA 1.240 53.212 52.037 -0.108 0.000 0.620 463 A CB -0.929 18.049 19.000 -0.036 0.000 0.819 463 A HN 0.602 nan 8.150 nan 0.000 0.442 464 A N 0.550 123.308 122.820 -0.103 0.000 2.388 464 A HA 0.441 4.761 4.320 0.000 0.000 0.257 464 A C -0.495 177.032 177.584 -0.096 0.000 1.095 464 A CA -0.467 51.525 52.037 -0.075 0.000 0.791 464 A CB 0.136 19.103 19.000 -0.055 0.000 1.029 464 A HN 0.419 nan 8.150 nan 0.000 0.489 465 D N 0.468 120.819 120.400 -0.082 0.000 2.302 465 D HA 0.524 5.164 4.640 0.000 0.000 0.248 465 D C 0.341 176.462 176.300 -0.299 0.000 1.094 465 D CA 0.957 54.885 54.000 -0.120 0.000 0.897 465 D CB 1.749 42.573 40.800 0.040 0.000 1.200 465 D HN 0.761 nan 8.370 nan 0.000 0.429 466 G N -0.691 107.660 108.800 -0.748 0.000 2.649 466 G HA2 0.670 4.630 3.960 0.000 0.000 0.290 466 G HA3 0.670 4.630 3.960 0.000 0.000 0.290 466 G C -1.924 172.160 174.900 -1.359 0.000 1.426 466 G CA -0.495 44.087 45.100 -0.863 0.000 0.794 466 G HN 0.590 nan 8.290 nan 0.000 0.483 467 A N 0.146 122.517 122.820 -0.749 0.000 2.594 467 A HA 0.736 5.056 4.320 0.000 0.000 0.296 467 A C -2.029 175.539 177.584 -0.026 0.000 1.061 467 A CA -0.670 51.136 52.037 -0.385 0.000 0.689 467 A CB 1.935 20.814 19.000 -0.202 0.000 1.280 467 A HN 0.489 nan 8.150 nan 0.000 0.406 468 D N 0.879 121.352 120.400 0.122 0.000 2.481 468 D HA 0.693 5.333 4.640 0.000 0.000 0.244 468 D C -0.565 175.862 176.300 0.212 0.000 1.057 468 D CA -0.003 54.098 54.000 0.169 0.000 0.848 468 D CB 2.184 43.083 40.800 0.166 0.000 1.388 468 D HN 0.349 nan 8.370 nan 0.000 0.475 469 S N 0.572 116.391 115.700 0.197 0.000 2.568 469 S HA 0.726 5.196 4.470 0.000 0.000 0.302 469 S C -1.044 173.719 174.600 0.272 0.000 1.082 469 S CA -0.777 57.530 58.200 0.178 0.000 1.009 469 S CB 1.319 64.574 63.200 0.093 0.000 1.069 469 S HN 0.467 nan 8.310 nan 0.000 0.500 470 Y N -1.608 118.772 120.300 0.133 0.000 2.552 470 Y HA 0.755 5.305 4.550 0.000 0.000 0.337 470 Y C -1.488 174.472 175.900 0.099 0.000 1.094 470 Y CA -1.330 56.836 58.100 0.110 0.000 1.028 470 Y CB 0.360 38.891 38.460 0.117 0.000 1.321 470 Y HN 0.289 nan 8.280 nan 0.000 0.456 471 V N 2.863 122.881 119.914 0.173 0.000 2.407 471 V HA 0.414 4.534 4.120 0.000 0.000 0.278 471 V C -0.080 176.104 176.094 0.149 0.000 1.037 471 V CA -0.395 61.955 62.300 0.082 0.000 0.900 471 V CB 1.302 33.171 31.823 0.077 0.000 0.983 471 V HN 0.829 nan 8.190 nan 0.000 0.459 472 S N 3.563 119.306 115.700 0.072 0.000 2.420 472 S HA 0.303 4.773 4.470 0.000 0.000 0.313 472 S C -0.653 173.995 174.600 0.081 0.000 1.079 472 S CA -0.625 57.640 58.200 0.108 0.000 1.104 472 S CB 0.410 63.637 63.200 0.046 0.000 0.969 472 S HN 0.822 nan 8.310 nan 0.000 0.471 473 D N 5.559 126.026 120.400 0.112 0.000 2.414 473 D HA 0.441 5.081 4.640 0.000 0.000 0.232 473 D C -1.835 174.513 176.300 0.081 0.000 1.070 473 D CA -2.290 51.779 54.000 0.115 0.000 0.839 473 D CB 1.874 42.782 40.800 0.180 0.000 1.079 473 D HN 0.212 nan 8.370 nan 0.000 0.521 474 P HA -0.043 nan 4.420 nan 0.000 0.223 474 P C 0.807 178.005 177.300 -0.170 0.000 1.144 474 P CA 0.736 63.822 63.100 -0.023 0.000 0.783 474 P CB 0.292 32.060 31.700 0.113 0.000 0.771 475 A N -1.449 121.283 122.820 -0.147 0.000 2.119 475 A HA -0.085 4.235 4.320 0.000 0.000 0.216 475 A C 0.397 177.642 177.584 -0.564 0.000 1.152 475 A CA 1.017 52.846 52.037 -0.346 0.000 0.708 475 A CB -1.009 17.804 19.000 -0.312 0.000 0.805 475 A HN 0.281 nan 8.150 nan 0.000 0.460 476 H N -0.452 118.610 119.070 -0.014 0.000 2.439 476 H HA 0.279 4.835 4.556 0.000 0.000 0.228 476 H C -2.822 172.552 175.328 0.078 0.000 1.423 476 H CA -1.684 54.403 56.048 0.065 0.000 1.386 476 H CB 0.521 30.328 29.762 0.076 0.000 1.641 476 H HN 0.266 nan 8.280 nan 0.000 0.508 477 P HA 0.008 nan 4.420 nan 0.000 0.274 477 P C 0.138 177.621 177.300 0.304 0.000 1.231 477 P CA -0.343 62.800 63.100 0.073 0.000 0.790 477 P CB 1.602 33.143 31.700 -0.266 0.000 0.951 478 V N 4.074 124.164 119.914 0.293 0.000 2.470 478 V HA 0.105 4.225 4.120 0.000 0.000 0.276 478 V C -1.945 174.427 176.094 0.463 0.000 1.040 478 V CA -1.373 61.121 62.300 0.324 0.000 1.008 478 V CB -0.010 31.958 31.823 0.242 0.000 0.990 478 V HN 0.538 nan 8.190 nan 0.000 0.477 479 P HA 0.057 nan 4.420 nan 0.000 0.267 479 P C 0.566 178.041 177.300 0.291 0.000 1.209 479 P CA -0.214 63.125 63.100 0.398 0.000 0.763 479 P CB 0.265 32.050 31.700 0.141 0.000 0.816 480 F N 5.470 125.445 119.950 0.042 0.000 2.216 480 F HA -0.004 4.523 4.527 0.000 0.000 0.300 480 F C 0.611 176.306 175.800 -0.174 0.000 1.085 480 F CA 0.491 58.388 58.000 -0.172 0.000 1.326 480 F CB -0.817 37.645 39.000 -0.896 0.000 1.027 480 F HN 0.148 nan 8.300 nan 0.000 0.497 481 I N -3.104 116.879 120.570 -0.978 0.000 2.994 481 I HA 0.513 4.683 4.170 0.000 0.000 0.306 481 I C -0.187 175.679 176.117 -0.419 0.000 1.195 481 I CA -1.434 59.444 61.300 -0.703 0.000 1.001 481 I CB 1.739 39.150 38.000 -0.982 0.000 1.244 481 I HN -0.264 nan 8.210 nan 0.000 0.437 482 S N 2.118 117.673 115.700 -0.241 0.000 2.558 482 S HA 0.139 4.609 4.470 0.000 0.000 0.291 482 S C 0.215 174.743 174.600 -0.120 0.000 1.306 482 S CA -0.313 57.800 58.200 -0.145 0.000 1.056 482 S CB 0.006 63.145 63.200 -0.101 0.000 0.836 482 S HN 0.466 nan 8.310 nan 0.000 0.504 483 R N 2.587 123.021 120.500 -0.110 0.000 2.582 483 R HA 0.323 4.663 4.340 0.000 0.000 0.271 483 R C -2.016 174.255 176.300 -0.049 0.000 1.078 483 R CA -1.234 54.816 56.100 -0.084 0.000 1.127 483 R CB -0.075 30.112 30.300 -0.188 0.000 1.038 483 R HN 0.457 nan 8.270 nan 0.000 0.500 484 P HA 0.246 nan 4.420 nan 0.000 0.284 484 P C -1.376 175.971 177.300 0.078 0.000 1.258 484 P CA -0.328 62.783 63.100 0.019 0.000 0.824 484 P CB 0.776 32.481 31.700 0.007 0.000 1.038 485 F N 0.938 120.843 119.950 -0.076 0.000 2.561 485 F HA 0.649 5.176 4.527 0.000 0.000 0.313 485 F C -1.629 174.086 175.800 -0.141 0.000 1.126 485 F CA -0.626 57.297 58.000 -0.128 0.000 0.918 485 F CB 1.833 40.705 39.000 -0.213 0.000 1.199 485 F HN 0.534 nan 8.300 nan 0.000 0.444 486 A N 5.297 127.411 122.820 -1.176 0.000 2.355 486 A HA 0.530 4.850 4.320 0.000 0.000 0.317 486 A C -0.324 176.402 177.584 -1.431 0.000 1.094 486 A CA -0.620 50.835 52.037 -0.969 0.000 0.764 486 A CB 0.466 19.227 19.000 -0.399 0.000 1.230 486 A HN 0.869 nan 8.150 nan 0.000 0.448 487 F N 1.518 120.973 119.950 -0.826 0.000 2.373 487 F HA -0.159 4.369 4.527 0.000 0.000 0.300 487 F C 2.448 178.028 175.800 -0.366 0.000 1.080 487 F CA 1.763 59.430 58.000 -0.556 0.000 1.417 487 F CB 0.116 38.891 39.000 -0.375 0.000 1.070 487 F HN 0.659 nan 8.300 nan 0.000 0.546 488 A N -0.732 121.992 122.820 -0.160 0.000 2.119 488 A HA -0.083 4.237 4.320 0.000 0.000 0.216 488 A C 1.246 178.787 177.584 -0.071 0.000 1.152 488 A CA 0.300 52.288 52.037 -0.082 0.000 0.708 488 A CB -0.475 18.487 19.000 -0.064 0.000 0.805 488 A HN 0.351 nan 8.150 nan 0.000 0.460 489 Q N 0.973 120.688 119.800 -0.143 0.000 2.837 489 Q HA 0.131 4.471 4.340 0.000 0.000 0.235 489 Q C 1.224 177.317 176.000 0.155 0.000 1.348 489 Q CA 0.175 55.966 55.803 -0.021 0.000 0.990 489 Q CB 0.205 28.907 28.738 -0.060 0.000 1.570 489 Q HN 0.732 nan 8.270 nan 0.000 0.575 490 S N -0.302 115.488 115.700 0.150 0.000 2.400 490 S HA -0.232 4.238 4.470 0.000 0.000 0.232 490 S C 2.010 176.759 174.600 0.249 0.000 1.025 490 S CA 1.512 59.861 58.200 0.249 0.000 0.993 490 S CB -0.223 63.075 63.200 0.162 0.000 0.808 490 S HN 0.597 nan 8.310 nan 0.000 0.478 491 S N 2.020 117.813 115.700 0.155 0.000 2.419 491 S HA -0.004 4.466 4.470 0.000 0.000 0.233 491 S C 1.923 176.605 174.600 0.137 0.000 1.016 491 S CA 0.514 58.781 58.200 0.112 0.000 0.974 491 S CB -0.450 62.789 63.200 0.064 0.000 0.786 491 S HN 0.615 nan 8.310 nan 0.000 0.492 492 R N -0.815 119.813 120.500 0.213 0.000 2.189 492 R HA 0.144 4.484 4.340 0.000 0.000 0.203 492 R C 2.095 178.570 176.300 0.292 0.000 1.012 492 R CA 0.641 56.872 56.100 0.218 0.000 1.015 492 R CB -0.298 30.163 30.300 0.267 0.000 0.938 492 R HN 0.677 nan 8.270 nan 0.000 0.472 493 W N 2.789 124.243 121.300 0.256 0.000 2.407 493 W HA -0.120 4.540 4.660 0.000 0.000 0.305 493 W C 1.156 177.854 176.519 0.300 0.000 1.196 493 W CA 1.123 58.643 57.345 0.292 0.000 1.311 493 W CB 0.004 29.673 29.460 0.347 0.000 1.135 493 W HN -0.073 nan 8.180 nan 0.000 0.514 494 K N 0.109 120.565 120.400 0.093 0.000 2.034 494 K HA -0.193 4.127 4.320 0.000 0.000 0.214 494 K C -1.031 175.489 176.600 -0.132 0.000 1.051 494 K CA 2.095 58.346 56.287 -0.061 0.000 0.931 494 K CB -1.478 31.058 32.500 0.059 0.000 0.715 494 K HN 0.159 nan 8.250 nan 0.000 0.446 495 P HA -0.028 nan 4.420 nan 0.000 0.262 495 P C 0.342 177.547 177.300 -0.157 0.000 1.651 495 P CA -0.161 62.859 63.100 -0.134 0.000 1.119 495 P CB -0.543 31.102 31.700 -0.091 0.000 1.552 496 W N 0.262 121.389 121.300 -0.287 0.000 2.374 496 W HA -0.086 4.574 4.660 0.000 0.000 0.288 496 W C 0.494 176.881 176.519 -0.220 0.000 1.218 496 W CA 0.185 57.355 57.345 -0.292 0.000 1.245 496 W CB -1.337 27.906 29.460 -0.362 0.000 1.126 496 W HN -0.144 nan 8.180 nan 0.000 0.545 497 L N 2.001 122.654 121.223 -0.949 0.000 2.456 497 L HA -0.139 4.201 4.340 0.000 0.000 0.224 497 L C 2.215 178.808 176.870 -0.462 0.000 1.148 497 L CA 1.057 55.370 54.840 -0.879 0.000 0.825 497 L CB -0.414 41.259 42.059 -0.642 0.000 0.937 497 L HN 0.008 nan 8.230 nan 0.000 0.450 498 V N -5.048 114.582 119.914 -0.473 0.000 3.578 498 V HA 0.174 4.294 4.120 0.000 0.000 0.290 498 V C 0.923 176.961 176.094 -0.093 0.000 1.376 498 V CA -0.429 61.605 62.300 -0.443 0.000 1.083 498 V CB -0.194 31.185 31.823 -0.740 0.000 0.911 498 V HN 0.125 nan 8.190 nan 0.000 0.433 499 Q N 1.905 121.672 119.800 -0.054 0.000 2.392 499 Q HA 0.193 4.533 4.340 0.000 0.000 0.262 499 Q C -0.165 175.804 176.000 -0.051 0.000 1.003 499 Q CA 0.287 56.100 55.803 0.017 0.000 0.888 499 Q CB 0.619 29.356 28.738 -0.003 0.000 1.260 499 Q HN 0.531 nan 8.270 nan 0.000 0.435 500 D N 1.521 121.738 120.400 -0.306 0.000 2.458 500 D HA -0.071 4.569 4.640 0.000 0.000 0.243 500 D C 0.188 176.330 176.300 -0.264 0.000 1.146 500 D CA 0.254 53.846 54.000 -0.680 0.000 0.877 500 D CB 0.723 40.967 40.800 -0.927 0.000 1.176 500 D HN 0.178 nan 8.370 nan 0.000 0.461 501 Q N 3.284 122.980 119.800 -0.174 0.000 2.222 501 Q HA 0.098 4.438 4.340 0.000 0.000 0.206 501 Q C 1.388 177.355 176.000 -0.055 0.000 0.877 501 Q CA 0.000 55.781 55.803 -0.037 0.000 0.958 501 Q CB 0.210 28.975 28.738 0.046 0.000 1.075 501 Q HN 0.500 nan 8.270 nan 0.000 0.483 502 R N 0.473 120.903 120.500 -0.118 0.000 2.148 502 R HA -0.115 4.225 4.340 0.000 0.000 0.227 502 R C 1.928 178.189 176.300 -0.064 0.000 1.103 502 R CA 0.966 57.011 56.100 -0.091 0.000 0.983 502 R CB 0.194 30.424 30.300 -0.116 0.000 0.874 502 R HN 0.368 nan 8.270 nan 0.000 0.451 503 E N 0.540 120.704 120.200 -0.059 0.000 2.051 503 E HA -0.194 4.156 4.350 0.000 0.000 0.192 503 E C 1.849 178.440 176.600 -0.015 0.000 0.991 503 E CA 1.232 57.610 56.400 -0.038 0.000 0.799 503 E CB -0.010 29.668 29.700 -0.037 0.000 0.748 503 E HN 0.344 nan 8.360 nan 0.000 0.449 504 A N 1.346 124.170 122.820 0.008 0.000 1.902 504 A HA -0.239 4.081 4.320 0.000 0.000 0.217 504 A C 2.076 179.652 177.584 -0.013 0.000 1.181 504 A CA 1.677 53.728 52.037 0.024 0.000 0.623 504 A CB -0.658 18.382 19.000 0.066 0.000 0.818 504 A HN 0.480 nan 8.150 nan 0.000 0.443 505 E N 0.577 120.761 120.200 -0.026 0.000 2.118 505 E HA -0.212 4.138 4.350 0.000 0.000 0.195 505 E C 1.975 178.538 176.600 -0.062 0.000 0.992 505 E CA 1.656 58.026 56.400 -0.050 0.000 0.804 505 E CB -0.150 29.519 29.700 -0.051 0.000 0.741 505 E HN 0.716 nan 8.360 nan 0.000 0.458 506 S N -0.148 115.522 115.700 -0.050 0.000 2.555 506 S HA -0.020 4.450 4.470 0.000 0.000 0.230 506 S C 0.769 175.344 174.600 -0.041 0.000 0.978 506 S CA -0.114 58.057 58.200 -0.049 0.000 0.934 506 S CB -0.145 63.030 63.200 -0.043 0.000 0.766 506 S HN 0.114 nan 8.310 nan 0.000 0.533 507 R N 1.827 122.308 120.500 -0.033 0.000 2.404 507 R HA 0.333 4.673 4.340 0.000 0.000 0.291 507 R C -1.790 174.498 176.300 -0.020 0.000 1.025 507 R CA -2.021 54.068 56.100 -0.017 0.000 0.991 507 R CB 0.432 30.735 30.300 0.005 0.000 1.053 507 R HN 0.151 nan 8.270 nan 0.000 0.479 508 P HA -0.084 nan 4.420 nan 0.000 0.233 508 P C -0.218 177.132 177.300 0.083 0.000 1.167 508 P CA 0.921 64.038 63.100 0.028 0.000 0.770 508 P CB 0.216 31.935 31.700 0.032 0.000 0.837 509 D N -0.546 119.901 120.400 0.078 0.000 2.395 509 D HA 0.111 4.751 4.640 0.000 0.000 0.226 509 D C -0.013 176.242 176.300 -0.074 0.000 1.146 509 D CA -0.642 53.454 54.000 0.160 0.000 0.830 509 D CB -0.331 40.575 40.800 0.178 0.000 0.958 509 D HN -0.034 nan 8.370 nan 0.000 0.501 510 V N 0.281 120.074 119.914 -0.200 0.000 2.686 510 V HA 0.334 4.454 4.120 0.000 0.000 0.306 510 V C -0.597 175.309 176.094 -0.313 0.000 1.065 510 V CA -1.162 60.931 62.300 -0.346 0.000 0.894 510 V CB 2.426 34.161 31.823 -0.147 0.000 1.004 510 V HN -0.003 nan 8.190 nan 0.000 0.424 511 V N 4.340 124.028 119.914 -0.377 0.000 2.435 511 V HA 0.712 4.832 4.120 0.000 0.000 0.290 511 V C -0.010 176.058 176.094 -0.044 0.000 1.030 511 V CA 0.276 62.505 62.300 -0.118 0.000 0.881 511 V CB 2.177 34.057 31.823 0.096 0.000 0.983 511 V HN 1.036 nan 8.190 nan 0.000 0.445 512 T N 6.670 121.146 114.554 -0.131 0.000 2.841 512 T HA 0.672 5.022 4.350 0.000 0.000 0.283 512 T C -1.514 173.060 174.700 -0.211 0.000 1.000 512 T CA -0.093 61.959 62.100 -0.081 0.000 0.977 512 T CB 1.138 69.949 68.868 -0.094 0.000 0.979 512 T HN 0.538 nan 8.240 nan 0.000 0.446 513 Y N 1.426 121.758 120.300 0.053 0.000 2.499 513 Y HA 0.603 5.153 4.550 0.000 0.000 0.347 513 Y C 0.327 176.221 175.900 -0.010 0.000 0.987 513 Y CA -1.102 57.018 58.100 0.033 0.000 1.044 513 Y CB 1.879 40.331 38.460 -0.013 0.000 1.245 513 Y HN 0.702 nan 8.280 nan 0.000 0.461 514 E N -0.788 119.483 120.200 0.119 0.000 2.392 514 E HA 0.521 4.871 4.350 0.000 0.000 0.279 514 E C -1.320 175.285 176.600 0.009 0.000 0.964 514 E CA -1.182 55.243 56.400 0.041 0.000 0.777 514 E CB 1.874 31.591 29.700 0.027 0.000 1.249 514 E HN 0.533 nan 8.360 nan 0.000 0.449 515 T N -0.534 114.004 114.554 -0.028 0.000 2.788 515 T HA 0.253 4.603 4.350 0.000 0.000 0.280 515 T C 0.394 175.095 174.700 0.001 0.000 0.984 515 T CA -0.819 61.260 62.100 -0.035 0.000 0.972 515 T CB 0.841 69.670 68.868 -0.065 0.000 1.039 515 T HN 0.467 nan 8.240 nan 0.000 0.530 516 E N 0.114 120.321 120.200 0.011 0.000 2.391 516 E HA 0.229 4.579 4.350 0.000 0.000 0.255 516 E C -0.026 176.597 176.600 0.040 0.000 1.187 516 E CA -0.499 55.915 56.400 0.024 0.000 0.941 516 E CB 0.696 30.412 29.700 0.026 0.000 1.010 516 E HN 0.443 nan 8.360 nan 0.000 0.458 517 V N 2.280 122.221 119.914 0.044 0.000 2.557 517 V HA -0.091 4.030 4.120 0.000 0.000 0.301 517 V C 0.689 176.828 176.094 0.075 0.000 1.026 517 V CA 0.356 62.694 62.300 0.062 0.000 1.137 517 V CB -0.332 31.522 31.823 0.051 0.000 0.917 517 V HN 0.374 nan 8.190 nan 0.000 0.484 518 L N 4.672 125.958 121.223 0.104 0.000 2.455 518 L HA 0.096 4.436 4.340 0.000 0.000 0.272 518 L C 1.028 177.954 176.870 0.094 0.000 1.174 518 L CA 0.175 55.080 54.840 0.109 0.000 0.869 518 L CB 0.129 42.275 42.059 0.144 0.000 1.130 518 L HN 0.673 nan 8.230 nan 0.000 0.474 519 D N 0.945 121.391 120.400 0.076 0.000 2.277 519 D HA 0.037 4.677 4.640 0.000 0.000 0.209 519 D C 0.081 176.415 176.300 0.056 0.000 0.970 519 D CA 0.846 54.882 54.000 0.060 0.000 0.874 519 D CB 0.581 41.410 40.800 0.049 0.000 0.982 519 D HN 0.533 nan 8.370 nan 0.000 0.504 520 E N 0.326 120.563 120.200 0.062 0.000 2.266 520 E HA 0.298 4.648 4.350 0.000 0.000 0.268 520 E C -2.447 174.192 176.600 0.065 0.000 0.879 520 E CA -2.098 54.332 56.400 0.050 0.000 0.762 520 E CB 2.305 32.026 29.700 0.035 0.000 1.199 520 E HN -0.025 nan 8.360 nan 0.000 0.422 521 P HA 0.052 nan 4.420 nan 0.000 0.271 521 P C -0.673 176.674 177.300 0.078 0.000 1.218 521 P CA -0.195 62.939 63.100 0.056 0.000 0.780 521 P CB 0.734 32.438 31.700 0.007 0.000 0.901 522 V N 4.154 124.160 119.914 0.153 0.000 2.378 522 V HA 0.342 4.462 4.120 0.000 0.000 0.288 522 V C 0.701 176.928 176.094 0.222 0.000 1.016 522 V CA -0.639 61.774 62.300 0.187 0.000 0.840 522 V CB 1.169 33.154 31.823 0.270 0.000 0.994 522 V HN 0.504 nan 8.190 nan 0.000 0.431 523 R N 3.836 124.404 120.500 0.113 0.000 2.254 523 R HA 0.709 5.049 4.340 0.000 0.000 0.318 523 R C -0.867 175.499 176.300 0.111 0.000 1.031 523 R CA -0.335 55.812 56.100 0.077 0.000 0.905 523 R CB 1.503 31.820 30.300 0.028 0.000 1.050 523 R HN 0.665 nan 8.270 nan 0.000 0.456 524 V N 0.278 120.266 119.914 0.125 0.000 2.656 524 V HA 0.688 4.808 4.120 0.000 0.000 0.307 524 V C -0.714 175.434 176.094 0.090 0.000 1.051 524 V CA -0.688 61.691 62.300 0.132 0.000 0.893 524 V CB 1.933 33.901 31.823 0.241 0.000 0.999 524 V HN 0.680 nan 8.190 nan 0.000 0.426 525 S N 2.472 118.210 115.700 0.063 0.000 2.680 525 S HA 0.864 5.334 4.470 0.000 0.000 0.262 525 S C -0.104 174.514 174.600 0.030 0.000 1.138 525 S CA 0.631 58.897 58.200 0.110 0.000 1.072 525 S CB 0.531 63.778 63.200 0.078 0.000 1.097 525 S HN 2.404 nan 8.310 nan 0.000 0.468 526 G N 2.032 110.898 108.800 0.110 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 -1.817 173.044 174.900 -0.065 0.000 1.327 526 G CA -0.100 44.884 45.100 -0.194 0.000 0.979 526 G HN 1.020 nan 8.290 nan 0.000 0.471 527 V N 2.778 122.596 119.914 -0.160 0.000 2.328 527 V HA 0.520 4.640 4.120 0.000 0.000 0.278 527 V C -2.031 174.023 176.094 -0.067 0.000 1.021 527 V CA -1.117 61.133 62.300 -0.084 0.000 0.838 527 V CB 1.391 33.144 31.823 -0.116 0.000 0.999 527 V HN 0.541 nan 8.190 nan 0.000 0.447 528 P HA 0.315 nan 4.420 nan 0.000 0.275 528 P C -0.874 176.374 177.300 -0.088 0.000 1.228 528 P CA -0.173 62.901 63.100 -0.044 0.000 0.786 528 P CB 0.980 32.677 31.700 -0.006 0.000 0.927 529 V N 1.849 121.669 119.914 -0.157 0.000 2.531 529 V HA 0.555 4.675 4.120 0.000 0.000 0.301 529 V C 0.110 175.962 176.094 -0.405 0.000 1.034 529 V CA -1.011 61.116 62.300 -0.289 0.000 0.865 529 V CB 1.573 33.204 31.823 -0.321 0.000 0.995 529 V HN 0.650 nan 8.190 nan 0.000 0.424 530 A N 2.865 125.308 122.820 -0.627 0.000 2.396 530 A HA 0.475 4.795 4.320 0.000 0.000 0.279 530 A C -0.115 177.078 177.584 -0.651 0.000 1.165 530 A CA -0.020 51.595 52.037 -0.704 0.000 0.824 530 A CB -0.100 18.196 19.000 -1.173 0.000 1.100 530 A HN 0.848 nan 8.150 nan 0.000 0.516 531 D N 2.699 122.894 120.400 -0.341 0.000 2.493 531 D HA 0.417 5.057 4.640 0.000 0.000 0.235 531 D C -0.966 175.279 176.300 -0.093 0.000 1.117 531 D CA -0.069 53.858 54.000 -0.122 0.000 0.930 531 D CB 0.363 41.201 40.800 0.063 0.000 1.010 531 D HN 0.350 nan 8.370 nan 0.000 0.514 532 L N 3.706 124.827 121.223 -0.169 0.000 2.295 532 L HA 0.572 4.912 4.340 0.000 0.000 0.285 532 L C -1.461 175.285 176.870 -0.207 0.000 1.035 532 L CA -0.393 54.367 54.840 -0.134 0.000 0.806 532 L CB 0.694 42.644 42.059 -0.181 0.000 1.214 532 L HN 0.144 nan 8.230 nan 0.000 0.426 533 F N 5.376 125.335 119.950 0.016 0.000 2.359 533 F HA 0.733 5.261 4.527 0.000 0.000 0.369 533 F C 0.345 176.116 175.800 -0.048 0.000 1.084 533 F CA -0.259 57.745 58.000 0.006 0.000 1.096 533 F CB 1.258 40.235 39.000 -0.039 0.000 1.335 533 F HN 0.636 nan 8.300 nan 0.000 0.457 534 A N 2.082 124.900 122.820 -0.003 0.000 2.454 534 A HA 0.968 5.288 4.320 0.000 0.000 0.302 534 A C -1.259 176.312 177.584 -0.022 0.000 1.079 534 A CA -0.677 51.230 52.037 -0.217 0.000 0.731 534 A CB 1.376 19.740 19.000 -1.060 0.000 1.299 534 A HN 0.737 nan 8.150 nan 0.000 0.413 535 A N 0.272 123.133 122.820 0.069 0.000 2.401 535 A HA 0.904 5.224 4.320 0.000 0.000 0.310 535 A C -0.275 177.492 177.584 0.305 0.000 1.075 535 A CA -0.213 51.937 52.037 0.189 0.000 0.746 535 A CB 1.654 20.731 19.000 0.128 0.000 1.277 535 A HN 1.514 nan 8.150 nan 0.000 0.425 536 T N -0.643 114.091 114.554 0.301 0.000 2.900 536 T HA 0.463 4.813 4.350 0.000 0.000 0.295 536 T C 1.073 175.850 174.700 0.128 0.000 1.044 536 T CA 0.272 62.509 62.100 0.229 0.000 0.995 536 T CB 1.303 70.318 68.868 0.246 0.000 1.072 536 T HN 1.338 nan 8.240 nan 0.000 0.473 537 S N 2.114 117.858 115.700 0.074 0.000 2.522 537 S HA 0.257 4.727 4.470 0.000 0.000 0.227 537 S C 1.194 175.825 174.600 0.051 0.000 0.986 537 S CA 0.231 58.464 58.200 0.055 0.000 0.929 537 S CB -0.314 62.908 63.200 0.036 0.000 0.769 537 S HN 0.913 nan 8.310 nan 0.000 0.529 538 G N 1.085 109.917 108.800 0.053 0.000 2.510 538 G HA2 0.431 4.391 3.960 0.000 0.000 0.280 538 G HA3 0.431 4.391 3.960 0.000 0.000 0.280 538 G C 0.477 175.419 174.900 0.070 0.000 1.386 538 G CA 0.135 45.264 45.100 0.048 0.000 1.047 538 G HN 0.397 nan 8.290 nan 0.000 0.527 539 T N -2.875 111.724 114.554 0.076 0.000 3.132 539 T HA 0.344 4.694 4.350 0.000 0.000 0.274 539 T C -0.246 174.542 174.700 0.145 0.000 1.011 539 T CA -0.084 62.075 62.100 0.097 0.000 0.899 539 T CB 0.383 69.311 68.868 0.099 0.000 1.089 539 T HN 0.396 nan 8.240 nan 0.000 0.543 540 D N -0.401 120.071 120.400 0.120 0.000 2.653 540 D HA 0.640 5.280 4.640 0.000 0.000 0.258 540 D C -1.588 174.716 176.300 0.008 0.000 1.252 540 D CA -0.162 53.908 54.000 0.116 0.000 0.777 540 D CB 2.182 43.050 40.800 0.113 0.000 1.339 540 D HN 0.034 nan 8.370 nan 0.000 0.422 541 S N 0.324 115.984 115.700 -0.067 0.000 2.614 541 S HA 0.336 4.806 4.470 0.000 0.000 0.280 541 S C -2.063 172.243 174.600 -0.489 0.000 1.111 541 S CA -0.772 57.216 58.200 -0.353 0.000 0.847 541 S CB 1.362 64.195 63.200 -0.613 0.000 1.079 541 S HN 0.376 nan 8.310 nan 0.000 0.452 542 D N 0.570 120.626 120.400 -0.574 0.000 2.181 542 D HA 0.576 5.216 4.640 0.000 0.000 0.248 542 D C -1.232 174.652 176.300 -0.693 0.000 1.020 542 D CA 0.001 53.746 54.000 -0.425 0.000 0.891 542 D CB 0.840 41.524 40.800 -0.193 0.000 1.187 542 D HN 0.436 nan 8.370 nan 0.000 0.443 543 W N 1.275 122.544 121.300 -0.052 0.000 2.463 543 W HA 0.442 5.102 4.660 0.000 0.000 0.316 543 W C -0.885 175.598 176.519 -0.058 0.000 1.004 543 W CA -0.896 56.410 57.345 -0.066 0.000 1.309 543 W CB 1.167 30.522 29.460 -0.175 0.000 1.288 543 W HN -0.065 nan 8.180 nan 0.000 0.423 544 V N 4.669 124.614 119.914 0.052 0.000 2.407 544 V HA 0.444 4.564 4.120 0.000 0.000 0.278 544 V C -0.126 175.942 176.094 -0.043 0.000 1.037 544 V CA -0.816 61.363 62.300 -0.202 0.000 0.900 544 V CB 1.141 32.549 31.823 -0.692 0.000 0.983 544 V HN 0.267 nan 8.190 nan 0.000 0.459 545 V N 5.981 125.927 119.914 0.054 0.000 2.487 545 V HA 0.505 4.625 4.120 0.000 0.000 0.298 545 V C -0.229 175.919 176.094 0.091 0.000 1.028 545 V CA -0.943 61.415 62.300 0.097 0.000 0.860 545 V CB 1.819 33.728 31.823 0.143 0.000 0.991 545 V HN 0.861 nan 8.190 nan 0.000 0.427 546 K N 4.567 125.014 120.400 0.078 0.000 2.345 546 K HA 0.654 4.975 4.320 0.000 0.000 0.255 546 K C -1.295 175.374 176.600 0.115 0.000 0.934 546 K CA -0.880 55.486 56.287 0.130 0.000 0.801 546 K CB 2.672 35.261 32.500 0.148 0.000 1.137 546 K HN 0.439 nan 8.250 nan 0.000 0.424 547 L N 4.751 126.055 121.223 0.136 0.000 2.265 547 L HA 0.482 4.822 4.340 0.000 0.000 0.289 547 L C -1.202 175.782 176.870 0.189 0.000 1.033 547 L CA -0.245 54.675 54.840 0.134 0.000 0.814 547 L CB 0.448 42.588 42.059 0.135 0.000 1.203 547 L HN 0.589 nan 8.230 nan 0.000 0.423 548 I N 3.961 124.647 120.570 0.193 0.000 2.646 548 I HA 0.363 4.533 4.170 0.000 0.000 0.299 548 I C -0.840 175.493 176.117 0.360 0.000 1.036 548 I CA -0.647 60.794 61.300 0.235 0.000 1.074 548 I CB 2.063 40.164 38.000 0.169 0.000 1.258 548 I HN 0.511 nan 8.210 nan 0.000 0.430 549 D N 5.518 126.161 120.400 0.404 0.000 2.392 549 D HA 0.265 4.905 4.640 0.000 0.000 0.228 549 D C -0.915 175.620 176.300 0.391 0.000 1.074 549 D CA -0.313 54.018 54.000 0.552 0.000 0.838 549 D CB 1.457 42.536 40.800 0.465 0.000 1.067 549 D HN 0.079 nan 8.370 nan 0.000 0.511 550 V N 5.145 125.255 119.914 0.327 0.000 2.427 550 V HA 0.109 4.229 4.120 0.000 0.000 0.268 550 V C 0.828 176.998 176.094 0.126 0.000 1.046 550 V CA -0.700 61.720 62.300 0.200 0.000 0.970 550 V CB 0.905 32.803 31.823 0.125 0.000 1.001 550 V HN 0.495 nan 8.190 nan 0.000 0.476 551 Q N 5.401 125.228 119.800 0.045 0.000 2.492 551 Q HA 0.229 4.569 4.340 0.000 0.000 0.238 551 Q C -2.234 173.593 176.000 -0.288 0.000 1.045 551 Q CA -1.886 53.767 55.803 -0.249 0.000 0.934 551 Q CB -0.165 28.531 28.738 -0.069 0.000 1.276 551 Q HN 0.435 nan 8.270 nan 0.000 0.521 552 P HA -0.074 nan 4.420 nan 0.000 0.265 552 P C 0.056 177.307 177.300 -0.082 0.000 1.187 552 P CA 0.539 63.525 63.100 -0.191 0.000 0.766 552 P CB 0.403 32.020 31.700 -0.139 0.000 0.820 553 A N 3.878 126.675 122.820 -0.039 0.000 1.940 553 A HA -0.174 4.146 4.320 0.000 0.000 0.221 553 A C 0.974 178.550 177.584 -0.014 0.000 1.190 553 A CA 1.836 53.862 52.037 -0.017 0.000 0.647 553 A CB -0.636 18.360 19.000 -0.007 0.000 0.821 553 A HN 0.501 nan 8.150 nan 0.000 0.457 554 M N -0.365 119.225 119.600 -0.017 0.000 2.393 554 M HA 0.316 4.796 4.480 0.000 0.000 0.299 554 M C -0.915 175.374 176.300 -0.018 0.000 1.103 554 M CA -0.086 55.207 55.300 -0.012 0.000 0.910 554 M CB 1.781 34.377 32.600 -0.006 0.000 1.659 554 M HN 0.256 nan 8.290 nan 0.000 0.445 555 T N -0.697 113.847 114.554 -0.016 0.000 3.241 555 T HA 0.393 4.743 4.350 0.000 0.000 0.387 555 T C -2.010 172.682 174.700 -0.013 0.000 1.451 555 T CA -1.394 60.695 62.100 -0.018 0.000 1.363 555 T CB 0.461 69.312 68.868 -0.029 0.000 1.074 555 T HN 0.368 nan 8.240 nan 0.000 0.598 556 P HA -0.095 nan 4.420 nan 0.000 0.218 556 P C 0.554 177.849 177.300 -0.009 0.000 1.146 556 P CA 1.090 64.186 63.100 -0.007 0.000 0.813 556 P CB 0.246 31.944 31.700 -0.003 0.000 0.778 557 D N -0.965 119.429 120.400 -0.010 0.000 2.347 557 D HA -0.022 4.618 4.640 0.000 0.000 0.213 557 D C 0.318 176.606 176.300 -0.021 0.000 0.985 557 D CA 1.098 55.090 54.000 -0.012 0.000 0.879 557 D CB -0.159 40.635 40.800 -0.010 0.000 0.919 557 D HN 0.182 nan 8.370 nan 0.000 0.526 558 D N -1.368 119.017 120.400 -0.025 0.000 2.934 558 D HA 0.128 4.769 4.640 0.000 0.000 0.249 558 D C -2.097 174.185 176.300 -0.030 0.000 1.293 558 D CA -1.533 52.446 54.000 -0.036 0.000 0.812 558 D CB 1.101 41.868 40.800 -0.055 0.000 1.439 558 D HN -0.234 nan 8.370 nan 0.000 0.555 559 P HA -0.219 nan 4.420 nan 0.000 0.217 559 P C 1.275 178.574 177.300 -0.001 0.000 1.151 559 P CA 1.530 64.624 63.100 -0.010 0.000 0.849 559 P CB 0.098 31.793 31.700 -0.008 0.000 0.787 560 K N -1.218 119.181 120.400 -0.003 0.000 2.360 560 K HA -0.083 4.237 4.320 0.000 0.000 0.201 560 K C 1.429 178.064 176.600 0.058 0.000 1.046 560 K CA 1.309 57.609 56.287 0.022 0.000 0.945 560 K CB -0.560 31.947 32.500 0.012 0.000 0.750 560 K HN 0.060 nan 8.250 nan 0.000 0.464 561 M N 1.447 121.050 119.600 0.005 0.000 2.556 561 M HA 0.122 4.602 4.480 0.000 0.000 0.245 561 M C 0.707 177.041 176.300 0.058 0.000 1.128 561 M CA 0.165 55.462 55.300 -0.005 0.000 1.069 561 M CB -0.281 32.247 32.600 -0.120 0.000 1.469 561 M HN 0.224 nan 8.290 nan 0.000 0.494 562 G N 0.313 109.136 108.800 0.039 0.000 2.298 562 G HA2 0.326 4.286 3.960 0.000 0.000 0.263 562 G HA3 0.326 4.286 3.960 0.000 0.000 0.263 562 G C 1.120 176.047 174.900 0.045 0.000 1.229 562 G CA 0.410 45.524 45.100 0.023 0.000 0.976 562 G HN 0.695 nan 8.290 nan 0.000 0.459 563 G N 1.780 110.598 108.800 0.031 0.000 2.168 563 G HA2 -0.329 3.631 3.960 0.000 0.000 0.263 563 G HA3 -0.329 3.631 3.960 0.000 0.000 0.263 563 G C 0.491 175.436 174.900 0.075 0.000 0.977 563 G CA 0.654 45.775 45.100 0.034 0.000 0.659 563 G HN 1.089 nan 8.290 nan 0.000 0.533 564 Y N 1.741 122.027 120.300 -0.023 0.000 2.721 564 Y HA 0.326 4.876 4.550 0.000 0.000 0.329 564 Y C 0.814 176.724 175.900 0.016 0.000 1.211 564 Y CA 0.639 58.733 58.100 -0.010 0.000 1.512 564 Y CB 0.447 38.895 38.460 -0.020 0.000 1.249 564 Y HN 0.336 nan 8.280 nan 0.000 0.549 565 E N 6.873 127.039 120.200 -0.058 0.000 1.998 565 E HA 0.149 4.499 4.350 0.000 0.000 0.257 565 E C -1.271 175.398 176.600 0.115 0.000 1.038 565 E CA -0.587 55.841 56.400 0.047 0.000 0.869 565 E CB 0.444 30.132 29.700 -0.019 0.000 1.135 565 E HN 0.416 nan 8.360 nan 0.000 0.430 566 L N 5.313 126.731 121.223 0.325 0.000 2.278 566 L HA 0.329 4.669 4.340 0.000 0.000 0.287 566 L C -2.503 174.508 176.870 0.235 0.000 1.072 566 L CA -2.054 52.984 54.840 0.330 0.000 0.819 566 L CB 0.438 42.683 42.059 0.310 0.000 1.176 566 L HN 0.162 nan 8.230 nan 0.000 0.435 567 P HA 0.087 nan 4.420 nan 0.000 0.282 567 P C 0.520 178.006 177.300 0.310 0.000 1.274 567 P CA -0.269 62.965 63.100 0.224 0.000 0.770 567 P CB 1.270 33.093 31.700 0.205 0.000 0.867 568 V N 0.764 120.806 119.914 0.213 0.000 3.471 568 V HA 0.239 4.359 4.120 0.000 0.000 0.258 568 V C 0.626 176.736 176.094 0.026 0.000 1.192 568 V CA 0.550 62.915 62.300 0.108 0.000 1.116 568 V CB -0.268 31.423 31.823 -0.221 0.000 0.792 568 V HN 0.592 nan 8.190 nan 0.000 0.459 569 S N 1.165 116.934 115.700 0.116 0.000 2.590 569 S HA 0.724 5.194 4.470 0.000 0.000 0.286 569 S C -0.989 173.727 174.600 0.193 0.000 1.147 569 S CA -0.645 57.622 58.200 0.111 0.000 0.963 569 S CB 1.062 64.302 63.200 0.068 0.000 1.124 569 S HN 0.652 nan 8.310 nan 0.000 0.458 570 M N 2.676 122.437 119.600 0.268 0.000 2.520 570 M HA 0.796 5.276 4.480 0.000 0.000 0.280 570 M C -1.778 174.845 176.300 0.539 0.000 1.232 570 M CA -0.711 54.816 55.300 0.379 0.000 0.892 570 M CB 2.177 35.051 32.600 0.457 0.000 1.728 570 M HN 0.479 nan 8.290 nan 0.000 0.475 571 D N 0.677 121.403 120.400 0.543 0.000 2.665 571 D HA 0.670 5.310 4.640 0.000 0.000 0.287 571 D C -2.021 174.548 176.300 0.447 0.000 1.266 571 D CA -0.387 54.012 54.000 0.665 0.000 0.830 571 D CB 3.071 44.286 40.800 0.692 0.000 1.356 571 D HN 0.855 nan 8.370 nan 0.000 0.437 572 I N 1.034 121.853 120.570 0.414 0.000 2.569 572 I HA 0.625 4.795 4.170 0.000 0.000 0.296 572 I C -1.560 174.617 176.117 0.100 0.000 1.028 572 I CA -0.905 60.460 61.300 0.107 0.000 1.082 572 I CB 1.522 39.444 38.000 -0.130 0.000 1.264 572 I HN 0.288 nan 8.210 nan 0.000 0.429 573 F N 6.836 126.643 119.950 -0.238 0.000 2.518 573 F HA 0.522 5.049 4.527 0.000 0.000 0.323 573 F C -0.332 175.421 175.800 -0.078 0.000 1.129 573 F CA -0.770 57.022 58.000 -0.347 0.000 0.920 573 F CB 1.185 39.516 39.000 -1.115 0.000 1.160 573 F HN 0.414 nan 8.300 nan 0.000 0.440 574 R N 3.964 124.309 120.500 -0.258 0.000 2.248 574 R HA 0.281 4.621 4.340 0.000 0.000 0.337 574 R C 1.347 177.719 176.300 0.121 0.000 1.085 574 R CA 0.594 56.678 56.100 -0.027 0.000 0.934 574 R CB 0.675 31.025 30.300 0.083 0.000 1.034 574 R HN 0.983 nan 8.270 nan 0.000 0.465 575 G N 4.748 113.739 108.800 0.318 0.000 2.507 575 G HA2 -0.380 3.580 3.960 0.000 0.000 0.221 575 G HA3 -0.380 3.580 3.960 0.000 0.000 0.221 575 G C 1.236 176.376 174.900 0.399 0.000 1.119 575 G CA 1.080 46.545 45.100 0.609 0.000 0.751 575 G HN 0.792 nan 8.290 nan 0.000 0.574 576 R N -0.819 119.736 120.500 0.091 0.000 2.249 576 R HA -0.044 4.296 4.340 0.000 0.000 0.230 576 R C 1.298 177.519 176.300 -0.131 0.000 1.121 576 R CA 1.290 57.362 56.100 -0.045 0.000 0.997 576 R CB -0.575 29.646 30.300 -0.133 0.000 0.867 576 R HN 0.486 nan 8.270 nan 0.000 0.465 577 Y N 0.329 120.769 120.300 0.233 0.000 2.532 577 Y HA 0.284 4.834 4.550 0.000 0.000 0.283 577 Y C 2.183 178.164 175.900 0.137 0.000 1.181 577 Y CA -0.686 57.511 58.100 0.161 0.000 1.256 577 Y CB 0.098 38.696 38.460 0.230 0.000 1.112 577 Y HN -0.008 nan 8.280 nan 0.000 0.521 578 R N 1.299 122.025 120.500 0.377 0.000 2.096 578 R HA -0.219 4.121 4.340 0.000 0.000 0.240 578 R C 1.478 177.756 176.300 -0.037 0.000 1.139 578 R CA 2.012 58.240 56.100 0.213 0.000 0.952 578 R CB 0.098 30.371 30.300 -0.044 0.000 0.854 578 R HN 0.316 nan 8.270 nan 0.000 0.436 579 K N -1.415 118.958 120.400 -0.045 0.000 2.202 579 K HA 0.022 4.342 4.320 0.000 0.000 0.201 579 K C -0.057 176.492 176.600 -0.084 0.000 1.051 579 K CA 0.508 56.746 56.287 -0.081 0.000 0.977 579 K CB 0.384 32.847 32.500 -0.060 0.000 0.792 579 K HN 0.054 nan 8.250 nan 0.000 0.469 580 D N -1.267 119.106 120.400 -0.046 0.000 2.966 580 D HA 0.098 4.738 4.640 0.000 0.000 0.222 580 D C -0.118 176.245 176.300 0.106 0.000 1.292 580 D CA -0.486 53.506 54.000 -0.014 0.000 0.907 580 D CB 0.878 41.713 40.800 0.059 0.000 1.621 580 D HN -0.213 nan 8.370 nan 0.000 0.557 581 F N 1.944 122.028 119.950 0.223 0.000 2.293 581 F HA 0.027 4.554 4.527 0.000 0.000 0.300 581 F C 2.405 178.193 175.800 -0.019 0.000 1.086 581 F CA 1.137 59.190 58.000 0.089 0.000 1.375 581 F CB -0.334 38.604 39.000 -0.103 0.000 1.045 581 F HN 0.498 nan 8.300 nan 0.000 0.516 582 A N -1.185 121.767 122.820 0.220 0.000 2.021 582 A HA 0.040 4.360 4.320 0.000 0.000 0.216 582 A C 0.975 178.661 177.584 0.171 0.000 1.163 582 A CA 0.636 52.742 52.037 0.115 0.000 0.676 582 A CB -0.041 19.000 19.000 0.068 0.000 0.818 582 A HN -0.032 nan 8.150 nan 0.000 0.453 583 K N 1.389 121.914 120.400 0.209 0.000 2.579 583 K HA 0.319 4.639 4.320 0.000 0.000 0.225 583 K C -3.154 173.580 176.600 0.224 0.000 0.992 583 K CA -2.041 54.358 56.287 0.187 0.000 1.018 583 K CB 1.497 34.062 32.500 0.109 0.000 1.249 583 K HN 0.182 nan 8.250 nan 0.000 0.489 584 P HA 0.086 nan 4.420 nan 0.000 0.268 584 P C -0.512 176.873 177.300 0.141 0.000 1.205 584 P CA 0.145 63.366 63.100 0.202 0.000 0.771 584 P CB 1.158 32.975 31.700 0.196 0.000 0.858 585 E N 0.766 120.950 120.200 -0.027 0.000 2.356 585 E HA 0.540 4.890 4.350 0.000 0.000 0.275 585 E C -0.936 175.299 176.600 -0.608 0.000 0.904 585 E CA -1.105 55.090 56.400 -0.343 0.000 0.757 585 E CB 2.247 31.842 29.700 -0.176 0.000 1.232 585 E HN 0.476 nan 8.360 nan 0.000 0.442 586 A N 3.567 125.733 122.820 -1.090 0.000 2.445 586 A HA 0.294 4.614 4.320 0.000 0.000 0.242 586 A C -0.163 177.274 177.584 -0.244 0.000 1.075 586 A CA -0.055 51.527 52.037 -0.758 0.000 0.777 586 A CB 0.137 18.733 19.000 -0.674 0.000 1.013 586 A HN 0.570 nan 8.150 nan 0.000 0.493 587 L N 1.634 122.825 121.223 -0.053 0.000 2.349 587 L HA 0.239 4.579 4.340 0.000 0.000 0.275 587 L C 0.942 177.825 176.870 0.021 0.000 1.115 587 L CA -0.241 54.623 54.840 0.040 0.000 0.820 587 L CB 0.878 43.041 42.059 0.172 0.000 1.135 587 L HN 0.855 nan 8.230 nan 0.000 0.445 588 Q N 5.577 125.388 119.800 0.018 0.000 2.281 588 Q HA 0.163 4.503 4.340 0.000 0.000 0.267 588 Q C -2.165 173.864 176.000 0.048 0.000 1.053 588 Q CA -1.619 54.192 55.803 0.014 0.000 0.905 588 Q CB 0.865 29.604 28.738 0.001 0.000 1.195 588 Q HN 0.263 nan 8.270 nan 0.000 0.398 589 P HA -0.110 nan 4.420 nan 0.000 0.264 589 P C -0.682 176.652 177.300 0.056 0.000 1.193 589 P CA 0.524 63.657 63.100 0.056 0.000 0.763 589 P CB 0.539 32.264 31.700 0.041 0.000 0.810 590 D N -1.133 119.310 120.400 0.072 0.000 3.059 590 D HA -0.191 4.449 4.640 0.000 0.000 0.213 590 D C 0.269 176.606 176.300 0.062 0.000 1.144 590 D CA 1.582 55.622 54.000 0.066 0.000 0.975 590 D CB -1.382 39.446 40.800 0.046 0.000 1.125 590 D HN 0.599 nan 8.370 nan 0.000 0.412 591 A N 0.484 123.344 122.820 0.066 0.000 2.301 591 A HA 0.512 4.832 4.320 0.000 0.000 0.298 591 A C 0.542 178.167 177.584 0.069 0.000 1.185 591 A CA -0.064 52.003 52.037 0.050 0.000 0.830 591 A CB 0.842 19.861 19.000 0.032 0.000 1.112 591 A HN -0.006 nan 8.150 nan 0.000 0.508 592 T N 3.755 118.338 114.554 0.048 0.000 2.752 592 T HA 0.412 4.762 4.350 0.000 0.000 0.295 592 T C -0.060 174.682 174.700 0.071 0.000 0.923 592 T CA 0.596 62.736 62.100 0.066 0.000 1.112 592 T CB -0.606 68.268 68.868 0.011 0.000 0.884 592 T HN 0.410 nan 8.240 nan 0.000 0.525 593 L N 2.829 124.095 121.223 0.073 0.000 2.334 593 L HA 0.443 4.783 4.340 0.000 0.000 0.273 593 L C 0.477 177.257 176.870 -0.150 0.000 1.013 593 L CA -1.072 53.734 54.840 -0.055 0.000 0.816 593 L CB 1.636 43.600 42.059 -0.159 0.000 1.278 593 L HN 0.643 nan 8.230 nan 0.000 0.431 594 H N 1.882 120.701 119.070 -0.419 0.000 2.652 594 H HA 0.323 4.879 4.556 0.000 0.000 0.298 594 H C -1.505 173.416 175.328 -0.677 0.000 1.076 594 H CA -0.518 55.141 56.048 -0.648 0.000 1.360 594 H CB 0.580 30.014 29.762 -0.548 0.000 1.421 594 H HN 0.417 nan 8.280 nan 0.000 0.464 595 Y N 3.202 123.248 120.300 -0.423 0.000 2.377 595 Y HA 0.206 4.756 4.550 0.000 0.000 0.339 595 Y C -0.305 175.338 175.900 -0.427 0.000 1.011 595 Y CA -0.773 57.056 58.100 -0.451 0.000 1.093 595 Y CB 1.527 39.758 38.460 -0.382 0.000 1.201 595 Y HN 0.695 nan 8.280 nan 0.000 0.455 596 H N 4.343 123.202 119.070 -0.352 0.000 3.172 596 H HA 0.485 5.041 4.556 0.000 0.000 0.322 596 H C -1.782 173.501 175.328 -0.074 0.000 1.003 596 H CA -1.009 54.859 56.048 -0.301 0.000 1.466 596 H CB 0.410 29.937 29.762 -0.391 0.000 1.673 596 H HN 0.509 nan 8.280 nan 0.000 0.512 597 F N 1.239 120.969 119.950 -0.367 0.000 2.619 597 F HA 0.516 5.043 4.527 0.000 0.000 0.308 597 F C -0.557 175.213 175.800 -0.049 0.000 1.097 597 F CA -1.165 56.733 58.000 -0.170 0.000 0.953 597 F CB 0.924 39.699 39.000 -0.376 0.000 1.287 597 F HN 0.344 nan 8.300 nan 0.000 0.446 598 T N 1.296 116.034 114.554 0.308 0.000 2.913 598 T HA 0.638 4.988 4.350 0.000 0.000 0.297 598 T C -0.314 174.620 174.700 0.389 0.000 1.029 598 T CA -0.506 61.733 62.100 0.233 0.000 1.104 598 T CB 1.039 70.056 68.868 0.249 0.000 0.964 598 T HN 0.705 nan 8.240 nan 0.000 0.532 599 L N 2.179 123.525 121.223 0.205 0.000 2.304 599 L HA 0.543 4.883 4.340 0.000 0.000 0.268 599 L C -2.248 174.731 176.870 0.181 0.000 1.010 599 L CA -3.171 51.822 54.840 0.255 0.000 0.813 599 L CB 1.370 43.518 42.059 0.148 0.000 1.315 599 L HN 0.418 nan 8.230 nan 0.000 0.445 600 P HA -0.000 nan 4.420 nan 0.000 0.265 600 P C -0.720 176.594 177.300 0.023 0.000 1.187 600 P CA -0.091 63.064 63.100 0.091 0.000 0.766 600 P CB 0.434 32.183 31.700 0.082 0.000 0.820 601 A N 2.830 125.645 122.820 -0.007 0.000 2.466 601 A HA 0.419 4.739 4.320 0.000 0.000 0.238 601 A C 0.238 177.791 177.584 -0.051 0.000 1.074 601 A CA 0.112 52.157 52.037 0.014 0.000 0.774 601 A CB -0.266 18.790 19.000 0.095 0.000 1.015 601 A HN 0.477 nan 8.150 nan 0.000 0.498 602 V N -0.895 119.022 119.914 0.006 0.000 2.962 602 V HA 0.849 4.969 4.120 0.000 0.000 0.313 602 V C -0.657 175.447 176.094 0.017 0.000 1.099 602 V CA -0.824 61.446 62.300 -0.050 0.000 0.971 602 V CB 2.176 33.992 31.823 -0.011 0.000 1.028 602 V HN 0.902 nan 8.190 nan 0.000 0.430 603 N N 0.886 119.556 118.700 -0.050 0.000 2.751 603 N HA 0.419 5.159 4.740 0.000 0.000 0.234 603 N C -1.258 174.229 175.510 -0.039 0.000 1.403 603 N CA -0.163 52.880 53.050 -0.011 0.000 0.747 603 N CB 0.470 38.915 38.487 -0.070 0.000 1.326 603 N HN 1.127 nan 8.380 nan 0.000 0.532 604 H N -0.296 118.676 119.070 -0.162 0.000 2.907 604 H HA 0.774 5.330 4.556 0.000 0.000 0.361 604 H C -1.379 173.801 175.328 -0.246 0.000 1.194 604 H CA -0.678 55.212 56.048 -0.263 0.000 1.152 604 H CB 1.732 31.251 29.762 -0.406 0.000 1.867 604 H HN -0.045 nan 8.280 nan 0.000 0.561 605 V N 3.352 122.749 119.914 -0.862 0.000 2.482 605 V HA 0.234 4.354 4.120 0.000 0.000 0.295 605 V C -0.948 174.739 176.094 -0.678 0.000 1.026 605 V CA -0.637 61.350 62.300 -0.521 0.000 0.856 605 V CB 1.000 32.616 31.823 -0.344 0.000 1.001 605 V HN 0.590 nan 8.190 nan 0.000 0.424 606 F N 3.972 123.834 119.950 -0.146 0.000 2.439 606 F HA 0.601 5.128 4.527 0.000 0.000 0.356 606 F C 1.076 176.768 175.800 -0.180 0.000 1.161 606 F CA -0.027 57.924 58.000 -0.081 0.000 1.151 606 F CB 0.685 39.749 39.000 0.107 0.000 1.222 606 F HN 0.595 nan 8.300 nan 0.000 0.558 607 A N 4.116 126.732 122.820 -0.339 0.000 2.327 607 A HA 0.258 4.578 4.320 0.000 0.000 0.255 607 A C 0.387 177.991 177.584 0.034 0.000 1.099 607 A CA -0.751 51.150 52.037 -0.226 0.000 0.801 607 A CB 0.303 19.098 19.000 -0.343 0.000 1.062 607 A HN 0.701 nan 8.150 nan 0.000 0.496 608 K N -0.556 119.893 120.400 0.082 0.000 2.448 608 K HA 0.324 4.644 4.320 0.000 0.000 0.278 608 K C 1.159 177.891 176.600 0.220 0.000 1.009 608 K CA 1.187 57.552 56.287 0.130 0.000 0.995 608 K CB -0.091 32.458 32.500 0.082 0.000 0.917 608 K HN 1.496 nan 8.250 nan 0.000 0.481 609 G N 2.633 111.546 108.800 0.189 0.000 2.258 609 G HA2 -0.234 3.726 3.960 0.000 0.000 0.233 609 G HA3 -0.234 3.726 3.960 0.000 0.000 0.233 609 G C 0.204 175.202 174.900 0.164 0.000 1.006 609 G CA 0.007 45.201 45.100 0.157 0.000 0.620 609 G HN 0.786 nan 8.290 nan 0.000 0.511 610 H N 0.210 119.345 119.070 0.107 0.000 2.437 610 H HA 0.691 5.247 4.556 0.000 0.000 0.338 610 H C 0.514 175.922 175.328 0.134 0.000 1.495 610 H CA -0.112 56.024 56.048 0.146 0.000 1.453 610 H CB 0.761 30.655 29.762 0.220 0.000 1.707 610 H HN 0.212 nan 8.280 nan 0.000 0.655 611 R N 0.189 120.860 120.500 0.285 0.000 2.740 611 R HA 0.407 4.747 4.340 0.000 0.000 0.273 611 R C -0.921 175.455 176.300 0.126 0.000 0.998 611 R CA -0.785 55.406 56.100 0.152 0.000 0.900 611 R CB 2.090 32.446 30.300 0.093 0.000 1.223 611 R HN 0.413 nan 8.270 nan 0.000 0.466 612 I N 2.756 123.284 120.570 -0.069 0.000 2.353 612 I HA 0.394 4.564 4.170 0.000 0.000 0.293 612 I C 0.008 176.067 176.117 -0.097 0.000 0.992 612 I CA -0.334 60.805 61.300 -0.268 0.000 1.268 612 I CB 1.550 39.193 38.000 -0.595 0.000 1.387 612 I HN 0.416 nan 8.210 nan 0.000 0.478 613 M N 6.739 126.330 119.600 -0.015 0.000 2.518 613 M HA 0.654 5.134 4.480 0.000 0.000 0.300 613 M C -2.025 174.304 176.300 0.048 0.000 1.175 613 M CA -0.596 54.725 55.300 0.035 0.000 0.890 613 M CB 2.366 35.009 32.600 0.073 0.000 1.710 613 M HN 0.304 nan 8.290 nan 0.000 0.453 614 V N 3.761 123.721 119.914 0.077 0.000 2.531 614 V HA 0.475 4.595 4.120 0.000 0.000 0.301 614 V C -0.977 175.207 176.094 0.149 0.000 1.034 614 V CA -0.538 61.814 62.300 0.086 0.000 0.865 614 V CB 2.036 33.876 31.823 0.028 0.000 0.995 614 V HN 0.879 nan 8.190 nan 0.000 0.424 615 Q N 4.112 123.977 119.800 0.107 0.000 2.353 615 Q HA 0.712 5.052 4.340 0.000 0.000 0.268 615 Q C -1.396 174.638 176.000 0.057 0.000 1.045 615 Q CA -0.556 55.298 55.803 0.085 0.000 0.811 615 Q CB 3.091 31.858 28.738 0.049 0.000 1.305 615 Q HN 0.643 nan 8.270 nan 0.000 0.447 616 I N 2.722 123.316 120.570 0.041 0.000 2.498 616 I HA 0.337 4.507 4.170 0.000 0.000 0.290 616 I C -0.434 175.597 176.117 -0.143 0.000 1.032 616 I CA -0.511 60.811 61.300 0.036 0.000 1.073 616 I CB 1.816 39.923 38.000 0.179 0.000 1.251 616 I HN 0.607 nan 8.210 nan 0.000 0.426 617 Q N 2.951 122.702 119.800 -0.081 0.000 2.626 617 Q HA 0.568 4.908 4.340 0.000 0.000 0.300 617 Q C -1.122 174.916 176.000 0.064 0.000 0.988 617 Q CA -0.919 54.809 55.803 -0.125 0.000 0.761 617 Q CB 2.011 30.656 28.738 -0.154 0.000 1.494 617 Q HN 0.397 nan 8.270 nan 0.000 0.439 618 S N 0.047 115.807 115.700 0.100 0.000 2.730 618 S HA 0.265 4.735 4.470 0.000 0.000 0.244 618 S C -0.617 173.963 174.600 -0.034 0.000 1.022 618 S CA 0.255 58.430 58.200 -0.043 0.000 1.014 618 S CB 0.460 63.583 63.200 -0.128 0.000 0.963 618 S HN 0.621 nan 8.310 nan 0.000 0.540 619 S N -0.174 115.546 115.700 0.033 0.000 2.570 619 S HA 0.753 5.223 4.470 0.000 0.000 0.270 619 S C -2.083 172.687 174.600 0.283 0.000 1.149 619 S CA -0.669 57.618 58.200 0.144 0.000 0.837 619 S CB 1.566 64.853 63.200 0.146 0.000 1.124 619 S HN 0.239 nan 8.310 nan 0.000 0.465 620 W N 2.003 123.437 121.300 0.223 0.000 1.896 620 W HA 0.499 5.159 4.660 0.000 0.000 0.302 620 W C -2.082 174.592 176.519 0.259 0.000 1.016 620 W CA -1.682 55.822 57.345 0.265 0.000 1.200 620 W CB 0.932 30.552 29.460 0.266 0.000 1.226 620 W HN 0.675 nan 8.180 nan 0.000 0.308 621 F N 5.254 125.382 119.950 0.298 0.000 2.458 621 F HA 0.623 5.150 4.527 0.000 0.000 0.330 621 F C -1.280 174.658 175.800 0.230 0.000 1.082 621 F CA -2.577 55.487 58.000 0.106 0.000 0.995 621 F CB 1.831 40.833 39.000 0.003 0.000 1.170 621 F HN -0.075 nan 8.300 nan 0.000 0.478 622 P HA 0.025 nan 4.420 nan 0.000 0.261 622 P C 1.291 177.993 177.300 -0.998 0.000 1.352 622 P CA 0.234 62.470 63.100 -1.440 0.000 0.891 622 P CB 0.278 31.151 31.700 -1.379 0.000 1.383 623 L N 0.076 120.661 121.223 -1.064 0.000 1.990 623 L HA -0.055 4.285 4.340 0.000 0.000 0.213 623 L C 0.330 176.596 176.870 -1.006 0.000 1.072 623 L CA 1.829 55.938 54.840 -1.219 0.000 0.755 623 L CB -1.287 39.572 42.059 -2.000 0.000 0.889 623 L HN -0.112 nan 8.230 nan 0.000 0.432 624 Y N 0.659 120.687 120.300 -0.453 0.000 2.360 624 Y HA 0.319 4.869 4.550 0.000 0.000 0.337 624 Y C 0.117 176.004 175.900 -0.022 0.000 1.039 624 Y CA -1.810 56.162 58.100 -0.213 0.000 1.109 624 Y CB 0.463 38.917 38.460 -0.009 0.000 1.201 624 Y HN 0.239 nan 8.280 nan 0.000 0.458 625 D N 2.011 122.534 120.400 0.206 0.000 2.423 625 D HA 0.040 4.680 4.640 0.000 0.000 0.238 625 D C -0.423 176.106 176.300 0.380 0.000 1.142 625 D CA -0.397 53.817 54.000 0.358 0.000 0.884 625 D CB 0.661 41.729 40.800 0.447 0.000 1.199 625 D HN 0.467 nan 8.370 nan 0.000 0.438 626 R N 1.229 121.971 120.500 0.403 0.000 2.491 626 R HA 0.117 4.457 4.340 0.000 0.000 0.283 626 R C 0.589 177.041 176.300 0.253 0.000 1.072 626 R CA -0.503 55.763 56.100 0.276 0.000 1.048 626 R CB 0.232 30.627 30.300 0.158 0.000 0.983 626 R HN 0.445 nan 8.270 nan 0.000 0.450 627 N N 3.741 122.520 118.700 0.131 0.000 2.442 627 N HA 0.046 4.786 4.740 0.000 0.000 0.265 627 N C -1.866 173.651 175.510 0.013 0.000 1.138 627 N CA -1.776 51.294 53.050 0.034 0.000 0.956 627 N CB 1.340 39.803 38.487 -0.040 0.000 1.067 627 N HN 0.273 nan 8.380 nan 0.000 0.474 628 P HA -0.098 nan 4.420 nan 0.000 0.222 628 P C -0.236 176.991 177.300 -0.122 0.000 1.147 628 P CA 1.053 63.961 63.100 -0.320 0.000 0.790 628 P CB 0.178 31.543 31.700 -0.559 0.000 0.780 629 Q N -3.170 116.581 119.800 -0.082 0.000 2.416 629 Q HA -0.228 4.112 4.340 0.000 0.000 0.235 629 Q C 0.188 176.179 176.000 -0.016 0.000 0.773 629 Q CA 0.906 56.681 55.803 -0.046 0.000 1.286 629 Q CB -1.954 26.761 28.738 -0.038 0.000 1.556 629 Q HN 0.348 nan 8.270 nan 0.000 0.650 630 K N 0.320 120.699 120.400 -0.036 0.000 2.507 630 K HA 0.428 4.748 4.320 0.000 0.000 0.251 630 K C -1.184 175.425 176.600 0.015 0.000 0.943 630 K CA -0.763 55.527 56.287 0.005 0.000 0.794 630 K CB 1.024 33.508 32.500 -0.027 0.000 1.188 630 K HN -0.002 nan 8.250 nan 0.000 0.428 631 F N 5.856 125.774 119.950 -0.054 0.000 2.519 631 F HA 0.143 4.670 4.527 0.000 0.000 0.375 631 F C -0.237 175.530 175.800 -0.056 0.000 1.084 631 F CA 0.097 58.063 58.000 -0.057 0.000 1.147 631 F CB 0.405 39.382 39.000 -0.039 0.000 1.088 631 F HN 0.222 nan 8.300 nan 0.000 0.555 632 V N 4.981 124.547 119.914 -0.580 0.000 2.815 632 V HA 0.525 4.645 4.120 0.000 0.000 0.314 632 V C -2.130 173.563 176.094 -0.669 0.000 1.064 632 V CA -1.958 60.079 62.300 -0.437 0.000 0.952 632 V CB 1.459 33.120 31.823 -0.269 0.000 1.020 632 V HN 0.514 nan 8.190 nan 0.000 0.439 633 P HA -0.078 nan 4.420 nan 0.000 0.216 633 P C 0.162 177.314 177.300 -0.247 0.000 1.153 633 P CA 1.491 64.432 63.100 -0.265 0.000 0.858 633 P CB 0.108 31.748 31.700 -0.101 0.000 0.789 634 N N -1.235 117.349 118.700 -0.194 0.000 2.519 634 N HA 0.176 4.916 4.740 0.000 0.000 0.286 634 N C 0.545 175.987 175.510 -0.114 0.000 1.079 634 N CA -0.377 52.589 53.050 -0.140 0.000 0.878 634 N CB 0.723 39.156 38.487 -0.090 0.000 1.375 634 N HN -0.200 nan 8.380 nan 0.000 0.514 635 I N 2.296 122.759 120.570 -0.178 0.000 2.567 635 I HA -0.218 3.952 4.170 0.000 0.000 0.257 635 I C 1.450 177.590 176.117 0.038 0.000 1.184 635 I CA 1.081 62.304 61.300 -0.127 0.000 1.451 635 I CB -0.152 37.757 38.000 -0.152 0.000 1.089 635 I HN 0.497 nan 8.210 nan 0.000 0.441 636 F N 0.921 120.942 119.950 0.119 0.000 2.161 636 F HA -0.242 4.285 4.527 0.000 0.000 0.300 636 F C 1.535 177.490 175.800 0.259 0.000 1.089 636 F CA 0.823 58.962 58.000 0.232 0.000 1.282 636 F CB -0.060 39.080 39.000 0.234 0.000 1.010 636 F HN 0.148 nan 8.300 nan 0.000 0.485 637 D N 0.409 121.018 120.400 0.348 0.000 2.427 637 D HA 0.195 4.835 4.640 0.000 0.000 0.224 637 D C 0.468 176.862 176.300 0.156 0.000 1.157 637 D CA 0.119 54.277 54.000 0.263 0.000 0.828 637 D CB -0.140 40.800 40.800 0.233 0.000 0.974 637 D HN 0.018 nan 8.370 nan 0.000 0.498 638 A N 0.998 123.896 122.820 0.129 0.000 2.540 638 A HA 0.118 4.438 4.320 0.000 0.000 0.239 638 A C 0.632 178.299 177.584 0.139 0.000 1.061 638 A CA 0.252 52.300 52.037 0.018 0.000 0.758 638 A CB 0.501 19.398 19.000 -0.173 0.000 0.991 638 A HN 0.002 nan 8.150 nan 0.000 0.502 639 K N 2.740 123.191 120.400 0.085 0.000 2.095 639 K HA 0.365 4.685 4.320 0.000 0.000 0.252 639 K C -1.920 174.831 176.600 0.252 0.000 0.977 639 K CA -1.833 54.545 56.287 0.152 0.000 0.900 639 K CB 0.758 33.309 32.500 0.085 0.000 1.060 639 K HN 0.294 nan 8.250 nan 0.000 0.449 640 P HA -0.263 nan 4.420 nan 0.000 0.216 640 P C 0.680 178.122 177.300 0.236 0.000 1.154 640 P CA 1.504 64.748 63.100 0.239 0.000 0.865 640 P CB 0.101 31.870 31.700 0.115 0.000 0.789 641 A N -0.907 121.998 122.820 0.141 0.000 2.168 641 A HA -0.129 4.191 4.320 0.000 0.000 0.215 641 A C 1.739 179.368 177.584 0.075 0.000 1.152 641 A CA 1.322 53.418 52.037 0.098 0.000 0.716 641 A CB -0.951 18.085 19.000 0.062 0.000 0.794 641 A HN 0.087 nan 8.150 nan 0.000 0.465 642 D N -1.073 119.354 120.400 0.045 0.000 2.234 642 D HA -0.019 4.621 4.640 0.000 0.000 0.205 642 D C -0.255 175.957 176.300 -0.147 0.000 0.962 642 D CA 0.609 54.553 54.000 -0.093 0.000 0.855 642 D CB -0.245 40.424 40.800 -0.218 0.000 0.951 642 D HN 0.549 nan 8.370 nan 0.000 0.500 643 Y N 1.296 121.602 120.300 0.010 0.000 2.605 643 Y HA 0.132 4.682 4.550 0.000 0.000 0.336 643 Y C 0.735 176.636 175.900 0.002 0.000 1.111 643 Y CA 0.201 58.301 58.100 -0.000 0.000 1.422 643 Y CB 0.321 38.775 38.460 -0.011 0.000 1.193 643 Y HN -0.337 nan 8.280 nan 0.000 0.526 644 T N 3.092 117.701 114.554 0.093 0.000 2.841 644 T HA 0.417 4.767 4.350 0.000 0.000 0.283 644 T C -0.364 174.371 174.700 0.059 0.000 1.000 644 T CA -0.866 61.272 62.100 0.064 0.000 0.977 644 T CB 1.418 70.304 68.868 0.030 0.000 0.979 644 T HN 0.219 nan 8.240 nan 0.000 0.446 645 V N 2.438 122.386 119.914 0.058 0.000 2.637 645 V HA 0.584 4.704 4.120 0.000 0.000 0.296 645 V C 0.464 176.577 176.094 0.032 0.000 1.046 645 V CA -0.143 62.188 62.300 0.052 0.000 1.066 645 V CB 0.531 32.389 31.823 0.059 0.000 0.968 645 V HN 1.133 nan 8.190 nan 0.000 0.483 646 A N 3.692 126.522 122.820 0.015 0.000 2.498 646 A HA 0.761 5.081 4.320 0.000 0.000 0.298 646 A C -0.276 177.291 177.584 -0.027 0.000 1.075 646 A CA -0.581 51.454 52.037 -0.003 0.000 0.714 646 A CB 1.797 20.786 19.000 -0.019 0.000 1.299 646 A HN 0.648 nan 8.150 nan 0.000 0.407 647 T N 3.153 117.694 114.554 -0.022 0.000 2.733 647 T HA 0.435 4.785 4.350 0.000 0.000 0.294 647 T C -0.491 174.163 174.700 -0.076 0.000 0.956 647 T CA -0.262 61.810 62.100 -0.046 0.000 0.987 647 T CB 0.555 69.421 68.868 -0.003 0.000 0.920 647 T HN 0.568 nan 8.240 nan 0.000 0.470 648 Q N 2.118 121.775 119.800 -0.239 0.000 2.256 648 Q HA 0.560 4.900 4.340 0.000 0.000 0.257 648 Q C -0.691 175.230 176.000 -0.132 0.000 0.936 648 Q CA -0.587 55.083 55.803 -0.223 0.000 0.903 648 Q CB 1.884 30.232 28.738 -0.651 0.000 1.263 648 Q HN 0.509 nan 8.270 nan 0.000 0.440 649 S N 2.542 118.281 115.700 0.066 0.000 2.561 649 S HA 0.542 5.012 4.470 0.000 0.000 0.303 649 S C -0.225 174.454 174.600 0.131 0.000 1.110 649 S CA -0.709 57.552 58.200 0.102 0.000 1.034 649 S CB 0.936 64.189 63.200 0.088 0.000 1.010 649 S HN 0.381 nan 8.310 nan 0.000 0.482 650 I N 3.122 123.802 120.570 0.184 0.000 2.330 650 I HA 0.292 4.462 4.170 0.000 0.000 0.289 650 I C 0.282 176.482 176.117 0.138 0.000 1.001 650 I CA -0.415 60.986 61.300 0.168 0.000 1.193 650 I CB 0.546 38.696 38.000 0.249 0.000 1.345 650 I HN 0.729 nan 8.210 nan 0.000 0.461 651 H N 6.859 125.944 119.070 0.026 0.000 2.525 651 H HA 0.399 4.955 4.556 0.000 0.000 0.339 651 H C -0.303 174.992 175.328 -0.055 0.000 1.109 651 H CA 0.077 56.078 56.048 -0.078 0.000 1.352 651 H CB 0.667 30.384 29.762 -0.075 0.000 1.461 651 H HN 0.638 nan 8.280 nan 0.000 0.533 652 H N 2.147 121.046 119.070 -0.284 0.000 2.851 652 H HA 0.533 5.089 4.556 0.000 0.000 0.372 652 H C 0.145 175.344 175.328 -0.215 0.000 1.158 652 H CA -0.829 55.119 56.048 -0.167 0.000 1.159 652 H CB 1.243 30.897 29.762 -0.181 0.000 1.757 652 H HN 1.031 nan 8.280 nan 0.000 0.546 653 G N 0.259 109.029 108.800 -0.050 0.000 2.828 653 G HA2 0.232 4.192 3.960 0.000 0.000 0.463 653 G HA3 0.232 4.192 3.960 0.000 0.000 0.463 653 G C 0.479 175.293 174.900 -0.144 0.000 1.394 653 G CA 0.680 45.635 45.100 -0.241 0.000 0.862 653 G HN 1.924 nan 8.290 nan 0.000 0.540 654 G N -0.439 108.260 108.800 -0.169 0.000 2.566 654 G HA2 -0.227 3.733 3.960 0.000 0.000 0.280 654 G HA3 -0.227 3.733 3.960 0.000 0.000 0.280 654 G C 0.955 175.871 174.900 0.028 0.000 1.225 654 G CA 1.205 46.302 45.100 -0.005 0.000 0.966 654 G HN 1.533 nan 8.290 nan 0.000 0.560 655 K N 1.024 121.355 120.400 -0.115 0.000 2.459 655 K HA 0.153 4.473 4.320 0.000 0.000 0.193 655 K C 0.972 177.253 176.600 -0.532 0.000 1.030 655 K CA 0.997 57.151 56.287 -0.222 0.000 1.026 655 K CB 0.203 32.589 32.500 -0.190 0.000 0.809 655 K HN 0.522 nan 8.250 nan 0.000 0.504 656 E N 0.661 120.456 120.200 -0.674 0.000 3.388 656 E HA 0.182 4.532 4.350 0.000 0.000 0.214 656 E C -1.202 174.917 176.600 -0.802 0.000 1.040 656 E CA -0.365 55.178 56.400 -1.429 0.000 1.327 656 E CB 1.305 30.341 29.700 -1.106 0.000 1.243 656 E HN 0.121 nan 8.360 nan 0.000 0.444 657 A N 1.437 124.000 122.820 -0.429 0.000 2.544 657 A HA 0.162 4.482 4.320 0.000 0.000 0.301 657 A C 0.509 178.249 177.584 0.260 0.000 1.368 657 A CA -0.144 51.912 52.037 0.032 0.000 1.045 657 A CB -0.229 18.863 19.000 0.153 0.000 1.129 657 A HN 0.115 nan 8.150 nan 0.000 0.540 658 T N 2.519 117.240 114.554 0.278 0.000 2.928 658 T HA 0.397 4.747 4.350 0.000 0.000 0.305 658 T C 0.677 175.441 174.700 0.106 0.000 1.035 658 T CA 1.073 63.333 62.100 0.266 0.000 1.145 658 T CB 0.170 69.118 68.868 0.134 0.000 0.963 658 T HN 1.274 nan 8.240 nan 0.000 0.545 659 S N 2.199 117.901 115.700 0.005 0.000 2.611 659 S HA 0.614 5.084 4.470 0.000 0.000 0.268 659 S C -1.644 172.844 174.600 -0.187 0.000 1.156 659 S CA -1.099 57.007 58.200 -0.157 0.000 0.817 659 S CB 1.172 64.158 63.200 -0.358 0.000 1.122 659 S HN 0.418 nan 8.310 nan 0.000 0.466 660 I N 2.262 122.699 120.570 -0.222 0.000 2.330 660 I HA 0.320 4.490 4.170 0.000 0.000 0.289 660 I C -0.499 175.510 176.117 -0.179 0.000 1.001 660 I CA -0.660 60.524 61.300 -0.193 0.000 1.193 660 I CB 1.101 39.008 38.000 -0.155 0.000 1.345 660 I HN 0.658 nan 8.210 nan 0.000 0.461 661 L N 7.069 128.194 121.223 -0.162 0.000 2.433 661 L HA 0.245 4.585 4.340 0.000 0.000 0.284 661 L C 0.144 176.971 176.870 -0.072 0.000 1.120 661 L CA -0.039 54.732 54.840 -0.114 0.000 0.879 661 L CB -0.151 41.852 42.059 -0.093 0.000 1.232 661 L HN 0.342 nan 8.230 nan 0.000 0.454 662 L N 6.390 127.599 121.223 -0.025 0.000 2.326 662 L HA 0.325 4.665 4.340 0.000 0.000 0.278 662 L C -1.679 175.204 176.870 0.022 0.000 1.092 662 L CA -1.698 53.159 54.840 0.029 0.000 0.810 662 L CB 1.317 43.442 42.059 0.111 0.000 1.153 662 L HN 0.357 nan 8.230 nan 0.000 0.439 663 P HA 0.075 nan 4.420 nan 0.000 0.220 663 P C -0.280 177.019 177.300 -0.001 0.000 1.806 663 P CA -0.130 62.952 63.100 -0.030 0.000 0.976 663 P CB 0.021 31.680 31.700 -0.067 0.000 1.952 664 V N 2.765 122.687 119.914 0.014 0.000 2.529 664 V HA 0.089 4.209 4.120 0.000 0.000 0.292 664 V C 1.115 177.193 176.094 -0.027 0.000 1.028 664 V CA 0.197 62.503 62.300 0.010 0.000 1.074 664 V CB 1.024 32.830 31.823 -0.028 0.000 0.958 664 V HN 0.269 nan 8.190 nan 0.000 0.481 665 V N 2.946 122.851 119.914 -0.014 0.000 3.126 665 V HA 0.752 4.872 4.120 0.000 0.000 0.314 665 V C -0.393 175.693 176.094 -0.013 0.000 1.138 665 V CA -1.278 61.009 62.300 -0.022 0.000 1.034 665 V CB 2.015 33.827 31.823 -0.019 0.000 1.075 665 V HN 0.667 nan 8.190 nan 0.000 0.442 666 K N 0.000 120.394 120.400 -0.010 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543