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 2hz7_1_A DATA FIRST_RESID 43 DATA SEQUENCE AAPLVAPNFI TEIIERDLEA GKYPRVVTRF PPDPSGYAHL GHVFASLLDF DATA SEQUENCE NTARQYGGQF NLRMDDTNPE LARQEYVDSI ADDLKWLGLD WGEHFYYASD DATA SEQUENCE YFDRYYAYAE QLIRQGDAYV ESVSPEELSR LRGNATTPGT PSPYRDRSVE DATA SEQUENCE ENLDLLRRMK AGEFADGEHV LRAKIDLTAP NMKLRDPVLY RIVNKPHFRT DATA SEQUENCE SDEWHIYPAY DFEHPLQDAI EGVTHSMCSL EFVDNRAIYD WLMEKLNFDP DATA SEQUENCE RPHQYEFGRR GLEYTITSKR KLRELVQAGR VSGWDDPRMP TLRAQRRLGV DATA SEQUENCE TPEAVRAFAA QIGVSRTNRT VDIAVYENAV RDDLNHRAPR VMAVLDPVKV DATA SEQUENCE TLTNLDGEKT LSLPYWPHDV VRDSPDGLVG MPGGGRVAPE EAVRDVPLTR DATA SEQUENCE ELYIERDDFS PAPPKGFKRL TPGGTVRLRG AGIIRADDFG TDEAGQVTHI DATA SEQUENCE RATLLGEDAK AAGVIHWVSA ERALPAEFRL YDRLFRVPHP EGENXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXGFMRYLTP DSLRVLRGYV EPSVAGDPAD DATA SEQUENCE TRYQFERQGY FWRDPVELER VXXXXXXLVF GRIITLKDTW 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 43 A HA 0.000 nan 4.320 nan 0.000 0.244 43 A C 0.000 177.542 177.584 -0.070 0.000 1.274 43 A CA 0.000 51.998 52.037 -0.066 0.000 0.836 43 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 44 A N 3.975 126.754 122.820 -0.067 0.000 2.507 44 A HA 0.586 4.907 4.320 0.001 0.000 0.235 44 A C -1.282 176.251 177.584 -0.086 0.000 1.070 44 A CA -0.278 51.718 52.037 -0.068 0.000 0.768 44 A CB -0.586 18.378 19.000 -0.060 0.000 1.011 44 A HN 0.823 nan 8.150 nan 0.000 0.502 45 P HA 0.057 nan 4.420 nan 0.000 0.268 45 P C 0.638 177.861 177.300 -0.128 0.000 1.204 45 P CA -0.468 62.561 63.100 -0.119 0.000 0.768 45 P CB 0.717 32.351 31.700 -0.110 0.000 0.842 46 L N 4.267 125.393 121.223 -0.162 0.000 2.042 46 L HA -0.102 4.238 4.340 0.001 0.000 0.210 46 L C 0.792 177.565 176.870 -0.161 0.000 1.076 46 L CA 1.758 56.497 54.840 -0.168 0.000 0.749 46 L CB -0.185 41.743 42.059 -0.218 0.000 0.893 46 L HN 0.209 nan 8.230 nan 0.000 0.432 47 V N 0.202 120.013 119.914 -0.172 0.000 2.376 47 V HA 0.615 4.735 4.120 0.001 0.000 0.287 47 V C 0.304 176.335 176.094 -0.105 0.000 1.015 47 V CA -0.933 61.280 62.300 -0.146 0.000 0.834 47 V CB 0.684 32.410 31.823 -0.161 0.000 1.001 47 V HN 0.268 nan 8.190 nan 0.000 0.428 48 A N 6.910 129.683 122.820 -0.078 0.000 2.520 48 A HA 0.495 4.816 4.320 0.001 0.000 0.235 48 A C -2.222 175.339 177.584 -0.038 0.000 1.065 48 A CA -0.800 51.207 52.037 -0.050 0.000 0.764 48 A CB -0.389 18.592 19.000 -0.032 0.000 1.002 48 A HN 0.686 nan 8.150 nan 0.000 0.502 49 P HA 0.054 nan 4.420 nan 0.000 0.258 49 P C -0.693 176.609 177.300 0.003 0.000 1.172 49 P CA 0.648 63.742 63.100 -0.009 0.000 0.762 49 P CB 0.115 31.815 31.700 -0.001 0.000 0.764 50 N N 1.592 120.284 118.700 -0.015 0.000 2.831 50 N HA 0.323 5.063 4.740 0.001 0.000 0.276 50 N C 0.551 176.075 175.510 0.023 0.000 1.416 50 N CA -1.065 52.003 53.050 0.030 0.000 0.799 50 N CB 0.160 38.641 38.487 -0.010 0.000 1.554 50 N HN 0.211 nan 8.380 nan 0.000 0.541 51 F N -0.845 119.095 119.950 -0.016 0.000 2.216 51 F HA 0.174 4.702 4.527 0.001 0.000 0.300 51 F C 1.299 177.041 175.800 -0.097 0.000 1.085 51 F CA 0.730 58.710 58.000 -0.033 0.000 1.326 51 F CB -0.388 38.618 39.000 0.009 0.000 1.027 51 F HN 0.337 nan 8.300 nan 0.000 0.497 52 I N 0.377 120.362 120.570 -0.973 0.000 2.286 52 I HA -0.208 3.963 4.170 0.001 0.000 0.245 52 I C 2.556 178.369 176.117 -0.506 0.000 1.104 52 I CA 1.487 62.285 61.300 -0.837 0.000 1.397 52 I CB -0.880 36.613 38.000 -0.845 0.000 1.072 52 I HN 0.230 nan 8.210 nan 0.000 0.417 53 T N 0.404 114.744 114.554 -0.357 0.000 2.720 53 T HA -0.174 4.176 4.350 0.001 0.000 0.268 53 T C 1.828 176.387 174.700 -0.235 0.000 1.037 53 T CA 1.446 63.410 62.100 -0.226 0.000 1.144 53 T CB -0.117 68.706 68.868 -0.074 0.000 0.864 53 T HN 0.275 nan 8.240 nan 0.000 0.444 54 E N 0.644 120.745 120.200 -0.166 0.000 2.106 54 E HA -0.003 4.347 4.350 0.001 0.000 0.192 54 E C 2.236 178.739 176.600 -0.162 0.000 0.984 54 E CA 0.689 57.020 56.400 -0.116 0.000 0.806 54 E CB -0.412 29.265 29.700 -0.039 0.000 0.750 54 E HN 0.542 nan 8.360 nan 0.000 0.458 55 I N 0.860 121.293 120.570 -0.228 0.000 2.226 55 I HA -0.262 3.908 4.170 0.001 0.000 0.245 55 I C 2.389 178.357 176.117 -0.248 0.000 1.100 55 I CA 0.939 62.096 61.300 -0.239 0.000 1.374 55 I CB -0.187 37.542 38.000 -0.452 0.000 1.057 55 I HN 0.039 nan 8.210 nan 0.000 0.413 56 I N 0.321 120.628 120.570 -0.439 0.000 2.202 56 I HA -0.267 3.903 4.170 0.001 0.000 0.242 56 I C 2.417 178.281 176.117 -0.422 0.000 1.091 56 I CA 1.469 62.423 61.300 -0.577 0.000 1.368 56 I CB -0.380 37.042 38.000 -0.964 0.000 1.058 56 I HN 0.223 nan 8.210 nan 0.000 0.410 57 E N 0.398 120.366 120.200 -0.387 0.000 2.110 57 E HA -0.255 4.095 4.350 0.001 0.000 0.193 57 E C 2.289 178.822 176.600 -0.112 0.000 0.988 57 E CA 0.934 57.207 56.400 -0.210 0.000 0.804 57 E CB -0.065 29.574 29.700 -0.102 0.000 0.745 57 E HN 0.308 nan 8.360 nan 0.000 0.458 58 R N 0.628 121.068 120.500 -0.100 0.000 2.081 58 R HA -0.151 4.189 4.340 0.001 0.000 0.235 58 R C 1.511 177.797 176.300 -0.023 0.000 1.131 58 R CA 1.666 57.737 56.100 -0.048 0.000 0.960 58 R CB 0.127 30.404 30.300 -0.039 0.000 0.856 58 R HN 0.092 nan 8.270 nan 0.000 0.436 59 D N 0.216 120.612 120.400 -0.006 0.000 2.149 59 D HA -0.113 4.527 4.640 0.001 0.000 0.201 59 D C 1.912 178.242 176.300 0.050 0.000 0.972 59 D CA 0.890 54.930 54.000 0.066 0.000 0.835 59 D CB -0.065 40.884 40.800 0.248 0.000 0.966 59 D HN 0.240 nan 8.370 nan 0.000 0.476 60 L N 0.838 122.065 121.223 0.007 0.000 2.056 60 L HA -0.123 4.217 4.340 0.001 0.000 0.207 60 L C 2.473 179.347 176.870 0.007 0.000 1.078 60 L CA 0.944 55.791 54.840 0.012 0.000 0.749 60 L CB -0.336 41.708 42.059 -0.025 0.000 0.901 60 L HN -0.001 nan 8.230 nan 0.000 0.433 61 E N 1.083 121.278 120.200 -0.008 0.000 2.058 61 E HA -0.229 4.121 4.350 0.001 0.000 0.194 61 E C 1.899 178.497 176.600 -0.004 0.000 0.997 61 E CA 1.662 58.059 56.400 -0.005 0.000 0.801 61 E CB 0.069 29.762 29.700 -0.011 0.000 0.746 61 E HN 0.407 nan 8.360 nan 0.000 0.450 62 A N -0.316 122.500 122.820 -0.008 0.000 2.259 62 A HA 0.278 4.598 4.320 0.001 0.000 0.208 62 A C 1.511 179.083 177.584 -0.021 0.000 1.201 62 A CA 1.026 53.053 52.037 -0.015 0.000 0.824 62 A CB -0.494 18.493 19.000 -0.023 0.000 0.838 62 A HN 0.378 nan 8.150 nan 0.000 0.485 63 G N 0.127 108.923 108.800 -0.008 0.000 2.225 63 G HA2 -0.362 3.598 3.960 0.001 0.000 0.267 63 G HA3 -0.362 3.598 3.960 0.001 0.000 0.267 63 G C 0.909 175.783 174.900 -0.044 0.000 1.024 63 G CA 0.942 46.038 45.100 -0.007 0.000 0.784 63 G HN 0.609 nan 8.290 nan 0.000 0.507 64 K N -1.305 119.045 120.400 -0.084 0.000 2.147 64 K HA 0.014 4.335 4.320 0.001 0.000 0.205 64 K C 0.258 176.582 176.600 -0.460 0.000 1.049 64 K CA 1.135 57.252 56.287 -0.285 0.000 0.936 64 K CB -0.046 32.255 32.500 -0.332 0.000 0.722 64 K HN 0.569 nan 8.250 nan 0.000 0.446 65 Y N -1.400 118.923 120.300 0.039 0.000 2.534 65 Y HA 0.211 4.761 4.550 0.001 0.000 0.345 65 Y C -1.745 174.174 175.900 0.032 0.000 1.031 65 Y CA -1.902 56.221 58.100 0.039 0.000 1.022 65 Y CB 1.806 40.302 38.460 0.060 0.000 1.292 65 Y HN -0.117 nan 8.280 nan 0.000 0.459 66 P HA 0.034 nan 4.420 nan 0.000 0.217 66 P C -0.356 177.007 177.300 0.104 0.000 1.154 66 P CA 1.160 64.328 63.100 0.114 0.000 0.841 66 P CB 0.970 32.723 31.700 0.089 0.000 0.788 67 R N -0.961 119.603 120.500 0.106 0.000 2.837 67 R HA 0.589 4.930 4.340 0.001 0.000 0.271 67 R C -0.988 175.334 176.300 0.037 0.000 0.993 67 R CA -1.046 55.093 56.100 0.065 0.000 0.931 67 R CB 2.327 32.653 30.300 0.043 0.000 1.206 67 R HN -0.246 nan 8.270 nan 0.000 0.474 68 V N 2.207 122.128 119.914 0.012 0.000 2.465 68 V HA 0.326 4.446 4.120 0.001 0.000 0.279 68 V C -0.365 175.715 176.094 -0.024 0.000 1.045 68 V CA -0.468 61.815 62.300 -0.029 0.000 0.938 68 V CB 1.616 33.396 31.823 -0.072 0.000 0.986 68 V HN 0.410 nan 8.190 nan 0.000 0.467 69 V N 4.517 124.401 119.914 -0.049 0.000 2.483 69 V HA 0.620 4.741 4.120 0.001 0.000 0.297 69 V C 0.173 176.256 176.094 -0.017 0.000 1.027 69 V CA -0.358 61.912 62.300 -0.051 0.000 0.855 69 V CB 1.880 33.631 31.823 -0.119 0.000 0.995 69 V HN 1.047 nan 8.190 nan 0.000 0.424 70 T N 2.442 117.028 114.554 0.055 0.000 2.883 70 T HA 0.951 5.301 4.350 0.001 0.000 0.284 70 T C -0.672 174.078 174.700 0.083 0.000 1.041 70 T CA -0.920 61.245 62.100 0.109 0.000 1.007 70 T CB 2.694 71.685 68.868 0.206 0.000 1.220 70 T HN 0.837 nan 8.240 nan 0.000 0.552 71 R N 0.242 120.814 120.500 0.120 0.000 2.664 71 R HA 0.489 4.830 4.340 0.001 0.000 0.266 71 R C -2.515 173.907 176.300 0.204 0.000 1.046 71 R CA -0.930 55.147 56.100 -0.039 0.000 0.885 71 R CB 0.756 30.953 30.300 -0.171 0.000 1.254 71 R HN 0.701 nan 8.270 nan 0.000 0.465 72 F N 4.738 124.676 119.950 -0.020 0.000 2.402 72 F HA 0.614 5.142 4.527 0.001 0.000 0.355 72 F C -2.291 173.463 175.800 -0.077 0.000 1.123 72 F CA -2.555 55.507 58.000 0.102 0.000 1.021 72 F CB 2.304 41.491 39.000 0.311 0.000 1.160 72 F HN 0.376 nan 8.300 nan 0.000 0.451 73 P HA 0.299 nan 4.420 nan 0.000 0.190 73 P C -3.029 173.887 177.300 -0.640 0.000 1.887 73 P CA -1.595 61.209 63.100 -0.493 0.000 1.194 73 P CB 0.784 32.336 31.700 -0.247 0.000 1.732 74 P HA 0.128 nan 4.420 nan 0.000 0.274 74 P C -0.527 176.557 177.300 -0.360 0.000 1.237 74 P CA 0.096 62.789 63.100 -0.678 0.000 0.793 74 P CB 0.963 32.230 31.700 -0.721 0.000 0.977 75 D N 1.914 122.158 120.400 -0.261 0.000 2.313 75 D HA 0.154 4.795 4.640 0.001 0.000 0.239 75 D C -1.837 174.366 176.300 -0.161 0.000 1.142 75 D CA -2.409 51.501 54.000 -0.151 0.000 0.847 75 D CB 0.253 40.992 40.800 -0.101 0.000 1.082 75 D HN 0.147 nan 8.370 nan 0.000 0.480 76 P HA 0.092 nan 4.420 nan 0.000 0.226 76 P C -0.391 176.884 177.300 -0.042 0.000 1.783 76 P CA -0.160 62.892 63.100 -0.080 0.000 0.980 76 P CB 0.193 31.864 31.700 -0.048 0.000 1.967 77 S N -0.595 114.976 115.700 -0.216 0.000 2.559 77 S HA 0.476 4.946 4.470 0.001 0.000 0.226 77 S C 0.838 174.854 174.600 -0.973 0.000 1.000 77 S CA -0.081 57.944 58.200 -0.291 0.000 0.948 77 S CB 0.758 63.853 63.200 -0.174 0.000 0.870 77 S HN 0.550 nan 8.310 nan 0.000 0.497 78 G N 0.141 108.010 108.800 -1.551 0.000 2.356 78 G HA2 0.470 4.430 3.960 0.001 0.000 0.294 78 G HA3 0.470 4.430 3.960 0.001 0.000 0.294 78 G C -1.795 172.441 174.900 -1.107 0.000 1.423 78 G CA -0.893 43.118 45.100 -1.814 0.000 0.806 78 G HN 0.138 nan 8.290 nan 0.000 0.527 79 Y N 0.697 120.688 120.300 -0.515 0.000 2.397 79 Y HA 0.446 4.996 4.550 0.001 0.000 0.335 79 Y C 1.315 177.236 175.900 0.034 0.000 1.213 79 Y CA 0.623 58.656 58.100 -0.113 0.000 1.391 79 Y CB 0.966 39.416 38.460 -0.017 0.000 1.293 79 Y HN 0.723 nan 8.280 nan 0.000 0.557 80 A N 2.773 125.737 122.820 0.240 0.000 2.498 80 A HA 0.357 4.678 4.320 0.001 0.000 0.239 80 A C -0.472 177.325 177.584 0.354 0.000 1.068 80 A CA -0.118 52.080 52.037 0.268 0.000 0.766 80 A CB -0.393 18.743 19.000 0.227 0.000 1.003 80 A HN 0.902 nan 8.150 nan 0.000 0.497 81 H N -1.330 118.024 119.070 0.473 0.000 2.943 81 H HA 0.544 5.100 4.556 0.001 0.000 0.323 81 H C 0.221 175.598 175.328 0.082 0.000 1.296 81 H CA -0.941 55.207 56.048 0.167 0.000 1.155 81 H CB 0.187 29.989 29.762 0.068 0.000 1.882 81 H HN 0.251 nan 8.280 nan 0.000 0.553 82 L N -0.034 121.342 121.223 0.255 0.000 2.189 82 L HA -0.101 4.240 4.340 0.001 0.000 0.214 82 L C 2.303 179.291 176.870 0.195 0.000 1.097 82 L CA 1.727 56.642 54.840 0.124 0.000 0.764 82 L CB -0.618 41.379 42.059 -0.103 0.000 0.900 82 L HN 0.995 nan 8.230 nan 0.000 0.436 83 G N -1.727 107.263 108.800 0.318 0.000 2.598 83 G HA2 -0.186 3.775 3.960 0.001 0.000 0.215 83 G HA3 -0.186 3.775 3.960 0.001 0.000 0.215 83 G C 1.059 176.054 174.900 0.158 0.000 1.131 83 G CA 0.297 45.528 45.100 0.218 0.000 0.785 83 G HN 0.521 nan 8.290 nan 0.000 0.539 84 H N -1.343 117.859 119.070 0.221 0.000 2.592 84 H HA 0.209 4.765 4.556 0.001 0.000 0.265 84 H C 2.394 177.740 175.328 0.031 0.000 0.955 84 H CA -0.216 55.920 56.048 0.147 0.000 1.175 84 H CB 0.707 30.530 29.762 0.102 0.000 1.433 84 H HN 0.182 nan 8.280 nan 0.000 0.537 85 V N 0.913 120.951 119.914 0.207 0.000 2.255 85 V HA -0.299 3.822 4.120 0.001 0.000 0.247 85 V C 2.110 178.252 176.094 0.081 0.000 1.051 85 V CA 1.992 64.374 62.300 0.136 0.000 1.018 85 V CB -0.564 31.404 31.823 0.241 0.000 0.641 85 V HN 0.368 nan 8.190 nan 0.000 0.445 86 F N 1.406 121.373 119.950 0.028 0.000 2.043 86 F HA -0.244 4.283 4.527 0.001 0.000 0.297 86 F C 2.287 178.058 175.800 -0.048 0.000 1.121 86 F CA 1.918 59.902 58.000 -0.027 0.000 1.199 86 F CB -0.843 38.169 39.000 0.020 0.000 0.968 86 F HN 0.077 nan 8.300 nan 0.000 0.478 87 A N -0.023 122.786 122.820 -0.018 0.000 1.877 87 A HA -0.189 4.131 4.320 0.001 0.000 0.216 87 A C 2.380 179.824 177.584 -0.234 0.000 1.186 87 A CA 2.523 54.522 52.037 -0.064 0.000 0.620 87 A CB -1.525 17.764 19.000 0.482 0.000 0.822 87 A HN 0.572 nan 8.150 nan 0.000 0.443 88 S N 0.189 115.574 115.700 -0.524 0.000 2.356 88 S HA -0.133 4.338 4.470 0.001 0.000 0.223 88 S C 1.892 176.267 174.600 -0.374 0.000 1.032 88 S CA 1.597 59.319 58.200 -0.796 0.000 1.005 88 S CB -0.811 61.624 63.200 -1.276 0.000 0.867 88 S HN 0.416 nan 8.310 nan 0.000 0.449 89 L N 0.331 121.367 121.223 -0.312 0.000 2.141 89 L HA 0.014 4.354 4.340 0.001 0.000 0.209 89 L C 2.631 179.334 176.870 -0.278 0.000 1.094 89 L CA 0.789 55.498 54.840 -0.218 0.000 0.763 89 L CB -0.549 41.416 42.059 -0.155 0.000 0.908 89 L HN 0.297 nan 8.230 nan 0.000 0.437 90 L N -0.127 120.836 121.223 -0.433 0.000 2.017 90 L HA -0.237 4.103 4.340 0.001 0.000 0.208 90 L C 2.109 178.786 176.870 -0.322 0.000 1.073 90 L CA 1.916 56.457 54.840 -0.499 0.000 0.745 90 L CB -0.663 40.887 42.059 -0.849 0.000 0.894 90 L HN 0.225 nan 8.230 nan 0.000 0.432 91 D N -0.998 119.285 120.400 -0.196 0.000 2.097 91 D HA -0.239 4.401 4.640 0.001 0.000 0.195 91 D C 2.015 178.269 176.300 -0.077 0.000 0.989 91 D CA 1.662 55.673 54.000 0.018 0.000 0.827 91 D CB -0.326 40.696 40.800 0.369 0.000 0.966 91 D HN 0.397 nan 8.370 nan 0.000 0.456 92 F N 2.404 122.003 119.950 -0.585 0.000 2.060 92 F HA -0.132 4.395 4.527 0.001 0.000 0.295 92 F C 1.932 177.499 175.800 -0.389 0.000 1.120 92 F CA 1.190 58.662 58.000 -0.879 0.000 1.205 92 F CB -0.450 37.910 39.000 -1.066 0.000 0.986 92 F HN -0.180 nan 8.300 nan 0.000 0.470 93 N N -0.070 118.319 118.700 -0.520 0.000 2.205 93 N HA -0.148 4.593 4.740 0.001 0.000 0.186 93 N C 1.792 177.065 175.510 -0.395 0.000 1.015 93 N CA 1.807 54.553 53.050 -0.508 0.000 0.862 93 N CB -0.811 37.501 38.487 -0.291 0.000 0.986 93 N HN 0.357 nan 8.380 nan 0.000 0.429 94 T N 0.820 115.205 114.554 -0.282 0.000 2.737 94 T HA -0.002 4.349 4.350 0.001 0.000 0.265 94 T C 2.006 176.661 174.700 -0.075 0.000 1.038 94 T CA 1.240 63.256 62.100 -0.139 0.000 1.144 94 T CB -0.273 68.519 68.868 -0.126 0.000 0.866 94 T HN 0.323 nan 8.240 nan 0.000 0.434 95 A N 2.006 124.749 122.820 -0.127 0.000 1.883 95 A HA -0.148 4.172 4.320 0.001 0.000 0.217 95 A C 2.260 179.750 177.584 -0.156 0.000 1.186 95 A CA 1.990 53.988 52.037 -0.065 0.000 0.624 95 A CB -0.557 18.461 19.000 0.031 0.000 0.822 95 A HN 0.284 nan 8.150 nan 0.000 0.444 96 R N 0.056 120.327 120.500 -0.382 0.000 2.080 96 R HA -0.189 4.151 4.340 0.001 0.000 0.236 96 R C 2.335 178.442 176.300 -0.322 0.000 1.137 96 R CA 2.339 58.194 56.100 -0.410 0.000 0.943 96 R CB -1.075 28.807 30.300 -0.695 0.000 0.846 96 R HN 0.681 nan 8.270 nan 0.000 0.431 97 Q N -1.211 118.358 119.800 -0.385 0.000 2.152 97 Q HA -0.193 4.148 4.340 0.001 0.000 0.206 97 Q C 0.551 176.143 176.000 -0.680 0.000 0.985 97 Q CA 1.874 57.354 55.803 -0.539 0.000 0.863 97 Q CB -0.094 28.236 28.738 -0.679 0.000 0.904 97 Q HN 0.588 nan 8.270 nan 0.000 0.422 98 Y N -1.068 119.138 120.300 -0.157 0.000 2.658 98 Y HA 0.346 4.896 4.550 0.001 0.000 0.276 98 Y C 1.034 176.880 175.900 -0.092 0.000 1.167 98 Y CA -0.058 57.970 58.100 -0.121 0.000 1.230 98 Y CB 0.794 39.174 38.460 -0.134 0.000 1.144 98 Y HN 0.223 nan 8.280 nan 0.000 0.529 99 G N 0.743 109.522 108.800 -0.035 0.000 2.305 99 G HA2 -0.246 3.714 3.960 0.001 0.000 0.287 99 G HA3 -0.246 3.714 3.960 0.001 0.000 0.287 99 G C 0.715 175.627 174.900 0.020 0.000 1.036 99 G CA 0.235 45.325 45.100 -0.017 0.000 0.887 99 G HN 0.702 nan 8.290 nan 0.000 0.505 100 G N -1.553 107.262 108.800 0.024 0.000 2.606 100 G HA2 0.618 4.578 3.960 0.001 0.000 0.262 100 G HA3 0.618 4.578 3.960 0.001 0.000 0.262 100 G C -0.111 174.823 174.900 0.057 0.000 1.394 100 G CA 0.169 45.291 45.100 0.037 0.000 1.044 100 G HN 0.656 nan 8.290 nan 0.000 0.553 101 Q N -1.041 118.797 119.800 0.062 0.000 2.312 101 Q HA 0.532 4.872 4.340 0.001 0.000 0.263 101 Q C -1.944 174.169 176.000 0.189 0.000 0.995 101 Q CA -0.784 55.076 55.803 0.096 0.000 0.853 101 Q CB 1.789 30.498 28.738 -0.048 0.000 1.300 101 Q HN 0.336 nan 8.270 nan 0.000 0.448 102 F N 4.254 124.300 119.950 0.159 0.000 2.444 102 F HA 0.520 5.047 4.527 0.001 0.000 0.342 102 F C -1.256 174.731 175.800 0.312 0.000 1.121 102 F CA -0.745 57.395 58.000 0.233 0.000 0.997 102 F CB 1.157 40.395 39.000 0.397 0.000 1.130 102 F HN 0.512 nan 8.300 nan 0.000 0.454 103 N N 5.797 124.202 118.700 -0.491 0.000 2.399 103 N HA 0.403 5.143 4.740 0.001 0.000 0.295 103 N C -1.635 173.403 175.510 -0.788 0.000 1.048 103 N CA -0.542 52.294 53.050 -0.356 0.000 0.886 103 N CB 2.114 40.499 38.487 -0.171 0.000 1.185 103 N HN 0.631 nan 8.380 nan 0.000 0.487 104 L N 1.640 122.546 121.223 -0.528 0.000 2.287 104 L HA 0.481 4.821 4.340 0.001 0.000 0.287 104 L C -0.122 176.366 176.870 -0.636 0.000 1.022 104 L CA -0.338 54.127 54.840 -0.624 0.000 0.814 104 L CB 0.441 41.955 42.059 -0.908 0.000 1.217 104 L HN 0.499 nan 8.230 nan 0.000 0.420 105 R N 5.883 126.063 120.500 -0.533 0.000 2.534 105 R HA 0.540 4.880 4.340 0.001 0.000 0.301 105 R C -1.352 174.646 176.300 -0.505 0.000 0.961 105 R CA -0.817 54.975 56.100 -0.512 0.000 0.871 105 R CB 1.331 31.423 30.300 -0.347 0.000 1.170 105 R HN 0.573 nan 8.270 nan 0.000 0.446 106 M N 3.506 122.785 119.600 -0.536 0.000 2.077 106 M HA 0.109 4.590 4.480 0.001 0.000 0.348 106 M C -0.440 175.779 176.300 -0.136 0.000 1.252 106 M CA -0.399 54.710 55.300 -0.318 0.000 1.096 106 M CB 0.832 33.275 32.600 -0.263 0.000 1.568 106 M HN 0.485 nan 8.290 nan 0.000 0.456 107 D N 3.714 124.044 120.400 -0.116 0.000 2.558 107 D HA 0.047 4.687 4.640 0.001 0.000 0.221 107 D C -0.043 176.302 176.300 0.076 0.000 1.143 107 D CA -0.126 53.860 54.000 -0.023 0.000 1.010 107 D CB 0.267 41.036 40.800 -0.052 0.000 1.068 107 D HN 0.431 nan 8.370 nan 0.000 0.511 108 D N 1.308 121.819 120.400 0.185 0.000 2.706 108 D HA -0.064 4.577 4.640 0.001 0.000 0.236 108 D C 1.086 177.673 176.300 0.478 0.000 1.231 108 D CA -0.199 53.998 54.000 0.328 0.000 0.828 108 D CB -0.331 40.796 40.800 0.544 0.000 1.015 108 D HN 0.241 nan 8.370 nan 0.000 0.484 109 T N -2.958 111.822 114.554 0.377 0.000 3.085 109 T HA -0.082 4.268 4.350 0.001 0.000 0.263 109 T C 0.719 175.659 174.700 0.400 0.000 1.127 109 T CA -0.094 62.319 62.100 0.521 0.000 1.103 109 T CB -0.522 68.596 68.868 0.417 0.000 0.921 109 T HN 0.274 nan 8.240 nan 0.000 0.510 110 N N 2.446 121.289 118.700 0.239 0.000 2.485 110 N HA 0.222 4.962 4.740 0.001 0.000 0.243 110 N C -1.577 173.943 175.510 0.015 0.000 0.987 110 N CA -2.237 50.863 53.050 0.084 0.000 0.940 110 N CB 1.655 40.179 38.487 0.063 0.000 1.122 110 N HN -0.023 nan 8.380 nan 0.000 0.509 111 P HA -0.185 nan 4.420 nan 0.000 0.218 111 P C 0.119 177.356 177.300 -0.105 0.000 1.148 111 P CA 1.454 64.457 63.100 -0.162 0.000 0.822 111 P CB 0.300 31.683 31.700 -0.529 0.000 0.784 112 E N -0.849 119.299 120.200 -0.087 0.000 2.435 112 E HA 0.070 4.421 4.350 0.001 0.000 0.195 112 E C 2.022 178.598 176.600 -0.040 0.000 1.029 112 E CA 0.351 56.724 56.400 -0.046 0.000 0.865 112 E CB -0.095 29.591 29.700 -0.023 0.000 0.833 112 E HN 0.339 nan 8.360 nan 0.000 0.510 113 L N 0.176 121.371 121.223 -0.046 0.000 2.467 113 L HA 0.259 4.599 4.340 0.001 0.000 0.213 113 L C 1.108 177.930 176.870 -0.080 0.000 1.053 113 L CA -0.274 54.542 54.840 -0.040 0.000 0.847 113 L CB 0.139 42.183 42.059 -0.025 0.000 1.075 113 L HN -0.072 nan 8.230 nan 0.000 0.479 114 A N 1.654 124.394 122.820 -0.135 0.000 2.520 114 A HA 0.350 4.670 4.320 0.001 0.000 0.245 114 A C -0.209 176.995 177.584 -0.632 0.000 1.072 114 A CA 0.325 52.173 52.037 -0.315 0.000 0.761 114 A CB -0.015 18.843 19.000 -0.235 0.000 1.004 114 A HN 0.177 nan 8.150 nan 0.000 0.499 115 R N 1.806 121.878 120.500 -0.713 0.000 2.673 115 R HA 0.235 4.575 4.340 0.001 0.000 0.281 115 R C 0.369 176.186 176.300 -0.806 0.000 0.991 115 R CA -0.823 54.812 56.100 -0.775 0.000 0.896 115 R CB 1.474 31.360 30.300 -0.689 0.000 1.201 115 R HN 0.890 nan 8.270 nan 0.000 0.457 116 Q N 2.067 121.525 119.800 -0.571 0.000 2.135 116 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 116 Q C 1.418 177.309 176.000 -0.182 0.000 0.981 116 Q CA 2.504 58.213 55.803 -0.157 0.000 0.856 116 Q CB 0.132 28.924 28.738 0.089 0.000 0.902 116 Q HN 0.752 nan 8.270 nan 0.000 0.425 117 E N -1.673 118.315 120.200 -0.354 0.000 2.153 117 E HA -0.231 4.120 4.350 0.001 0.000 0.194 117 E C 1.601 178.015 176.600 -0.310 0.000 0.988 117 E CA 1.407 57.601 56.400 -0.344 0.000 0.811 117 E CB -0.622 28.796 29.700 -0.470 0.000 0.746 117 E HN 0.649 nan 8.360 nan 0.000 0.466 118 Y N 0.601 120.741 120.300 -0.267 0.000 2.286 118 Y HA -0.060 4.491 4.550 0.001 0.000 0.293 118 Y C 2.495 178.320 175.900 -0.124 0.000 1.124 118 Y CA 0.226 58.154 58.100 -0.286 0.000 1.178 118 Y CB 0.193 38.431 38.460 -0.370 0.000 1.010 118 Y HN -0.065 nan 8.280 nan 0.000 0.536 119 V N 0.407 120.349 119.914 0.047 0.000 2.261 119 V HA -0.308 3.812 4.120 0.001 0.000 0.246 119 V C 1.698 177.876 176.094 0.140 0.000 1.047 119 V CA 2.134 64.515 62.300 0.134 0.000 1.015 119 V CB -0.538 31.451 31.823 0.277 0.000 0.642 119 V HN 0.391 nan 8.190 nan 0.000 0.446 120 D N 0.542 121.006 120.400 0.107 0.000 2.104 120 D HA -0.150 4.490 4.640 0.001 0.000 0.194 120 D C 2.453 178.827 176.300 0.124 0.000 0.994 120 D CA 1.976 56.036 54.000 0.100 0.000 0.830 120 D CB -0.431 40.413 40.800 0.074 0.000 0.959 120 D HN 0.607 nan 8.370 nan 0.000 0.452 121 S N 0.278 116.069 115.700 0.152 0.000 2.368 121 S HA -0.087 4.384 4.470 0.001 0.000 0.224 121 S C 2.304 177.026 174.600 0.202 0.000 1.029 121 S CA 0.501 58.828 58.200 0.212 0.000 0.988 121 S CB -0.651 62.776 63.200 0.379 0.000 0.838 121 S HN 0.251 nan 8.310 nan 0.000 0.462 122 I N 2.473 123.147 120.570 0.173 0.000 2.179 122 I HA -0.143 4.027 4.170 0.001 0.000 0.242 122 I C 3.127 179.353 176.117 0.181 0.000 1.088 122 I CA 1.182 62.574 61.300 0.154 0.000 1.357 122 I CB -0.753 37.293 38.000 0.076 0.000 1.051 122 I HN 0.426 nan 8.210 nan 0.000 0.409 123 A N 0.524 123.446 122.820 0.170 0.000 1.877 123 A HA -0.308 4.013 4.320 0.001 0.000 0.216 123 A C 2.010 179.791 177.584 0.328 0.000 1.186 123 A CA 2.401 54.564 52.037 0.210 0.000 0.620 123 A CB -0.786 18.267 19.000 0.087 0.000 0.822 123 A HN 0.450 nan 8.150 nan 0.000 0.443 124 D N -0.301 120.239 120.400 0.232 0.000 2.097 124 D HA -0.152 4.489 4.640 0.001 0.000 0.195 124 D C 1.315 177.780 176.300 0.275 0.000 0.989 124 D CA 1.609 55.744 54.000 0.224 0.000 0.827 124 D CB -0.176 40.717 40.800 0.155 0.000 0.966 124 D HN 0.362 nan 8.370 nan 0.000 0.456 125 D N -0.360 120.197 120.400 0.261 0.000 2.117 125 D HA -0.092 4.548 4.640 0.001 0.000 0.198 125 D C 2.229 178.780 176.300 0.418 0.000 0.982 125 D CA 0.522 54.707 54.000 0.308 0.000 0.828 125 D CB -0.250 40.692 40.800 0.237 0.000 0.967 125 D HN 0.311 nan 8.370 nan 0.000 0.464 126 L N 0.543 121.983 121.223 0.361 0.000 2.141 126 L HA -0.114 4.227 4.340 0.001 0.000 0.209 126 L C 2.439 179.520 176.870 0.352 0.000 1.094 126 L CA 0.886 55.936 54.840 0.350 0.000 0.763 126 L CB -0.322 41.954 42.059 0.361 0.000 0.908 126 L HN 0.030 nan 8.230 nan 0.000 0.437 127 K N 0.037 120.685 120.400 0.413 0.000 2.057 127 K HA -0.261 4.060 4.320 0.001 0.000 0.206 127 K C 2.161 178.834 176.600 0.121 0.000 1.050 127 K CA 1.669 58.063 56.287 0.179 0.000 0.935 127 K CB -0.364 32.221 32.500 0.140 0.000 0.715 127 K HN 0.272 nan 8.250 nan 0.000 0.439 128 W N 1.598 122.933 121.300 0.058 0.000 2.338 128 W HA -0.247 4.413 4.660 0.001 0.000 0.304 128 W C 1.603 178.131 176.519 0.014 0.000 1.212 128 W CA 1.229 58.596 57.345 0.036 0.000 1.264 128 W CB -0.384 29.115 29.460 0.064 0.000 1.142 128 W HN 0.204 nan 8.180 nan 0.000 0.512 129 L N 1.131 122.317 121.223 -0.063 0.000 2.265 129 L HA 0.143 4.484 4.340 0.001 0.000 0.215 129 L C 2.045 178.701 176.870 -0.355 0.000 1.117 129 L CA 2.418 57.051 54.840 -0.344 0.000 0.782 129 L CB -0.810 41.243 42.059 -0.010 0.000 0.914 129 L HN 0.392 nan 8.230 nan 0.000 0.441 130 G N -2.128 106.504 108.800 -0.281 0.000 2.205 130 G HA2 -0.164 3.796 3.960 0.001 0.000 0.180 130 G HA3 -0.164 3.796 3.960 0.001 0.000 0.180 130 G C 0.240 174.834 174.900 -0.511 0.000 1.004 130 G CA 0.027 44.939 45.100 -0.313 0.000 0.670 130 G HN 0.243 nan 8.290 nan 0.000 0.496 131 L N 0.858 121.756 121.223 -0.542 0.000 2.467 131 L HA 0.546 4.886 4.340 0.001 0.000 0.270 131 L C 0.029 176.494 176.870 -0.676 0.000 1.205 131 L CA 0.177 54.418 54.840 -0.998 0.000 0.828 131 L CB 0.862 42.757 42.059 -0.274 0.000 1.101 131 L HN 0.242 nan 8.230 nan 0.000 0.479 132 D N 1.150 121.128 120.400 -0.703 0.000 2.575 132 D HA 0.258 4.898 4.640 0.001 0.000 0.250 132 D C -0.184 176.332 176.300 0.361 0.000 1.279 132 D CA -0.629 53.255 54.000 -0.192 0.000 0.925 132 D CB 0.857 41.646 40.800 -0.018 0.000 1.261 132 D HN 0.425 nan 8.370 nan 0.000 0.567 133 W N 3.896 125.404 121.300 0.347 0.000 3.008 133 W HA 0.540 5.200 4.660 0.001 0.000 0.355 133 W C 0.987 177.662 176.519 0.260 0.000 1.095 133 W CA 0.070 57.653 57.345 0.396 0.000 1.738 133 W CB -0.326 29.311 29.460 0.296 0.000 1.091 133 W HN 0.573 nan 8.180 nan 0.000 0.574 134 G N 2.312 111.066 108.800 -0.077 0.000 2.665 134 G HA2 -0.544 3.417 3.960 0.001 0.000 0.326 134 G HA3 -0.544 3.417 3.960 0.001 0.000 0.326 134 G C 0.898 175.789 174.900 -0.014 0.000 1.231 134 G CA 1.672 46.732 45.100 -0.067 0.000 0.992 134 G HN 0.390 nan 8.290 nan 0.000 0.549 135 E N 0.838 120.988 120.200 -0.084 0.000 2.479 135 E HA 0.124 4.475 4.350 0.001 0.000 0.193 135 E C 1.013 177.491 176.600 -0.203 0.000 1.049 135 E CA 0.341 56.650 56.400 -0.152 0.000 0.870 135 E CB -0.160 29.381 29.700 -0.265 0.000 0.944 135 E HN 0.608 nan 8.360 nan 0.000 0.492 136 H N 0.312 119.512 119.070 0.216 0.000 2.799 136 H HA 0.115 4.671 4.556 0.001 0.000 0.225 136 H C -0.951 174.381 175.328 0.008 0.000 1.904 136 H CA -0.141 55.949 56.048 0.070 0.000 1.344 136 H CB -1.058 28.869 29.762 0.274 0.000 1.744 136 H HN 0.079 nan 8.280 nan 0.000 0.542 137 F N 2.326 122.120 119.950 -0.260 0.000 2.411 137 F HA 0.336 4.864 4.527 0.001 0.000 0.352 137 F C -1.292 174.221 175.800 -0.477 0.000 1.123 137 F CA -0.903 56.891 58.000 -0.343 0.000 1.044 137 F CB 0.655 39.532 39.000 -0.204 0.000 1.135 137 F HN 0.035 nan 8.300 nan 0.000 0.461 138 Y N 4.577 124.442 120.300 -0.725 0.000 2.499 138 Y HA 0.475 5.026 4.550 0.001 0.000 0.347 138 Y C -1.332 174.224 175.900 -0.573 0.000 0.987 138 Y CA -1.122 56.742 58.100 -0.393 0.000 1.044 138 Y CB 1.519 39.859 38.460 -0.201 0.000 1.245 138 Y HN 0.427 nan 8.280 nan 0.000 0.461 139 Y N 0.443 120.764 120.300 0.035 0.000 2.334 139 Y HA 0.479 5.029 4.550 0.001 0.000 0.336 139 Y C 0.910 176.841 175.900 0.052 0.000 0.960 139 Y CA -0.665 57.430 58.100 -0.009 0.000 1.164 139 Y CB 1.961 40.420 38.460 -0.001 0.000 1.155 139 Y HN 0.860 nan 8.280 nan 0.000 0.478 140 A N 1.525 124.431 122.820 0.144 0.000 1.978 140 A HA -0.212 4.108 4.320 0.001 0.000 0.220 140 A C 2.222 179.724 177.584 -0.136 0.000 1.170 140 A CA 2.134 54.248 52.037 0.128 0.000 0.636 140 A CB -0.804 18.278 19.000 0.136 0.000 0.810 140 A HN 0.793 nan 8.150 nan 0.000 0.448 141 S N 0.106 115.573 115.700 -0.389 0.000 2.419 141 S HA -0.178 4.292 4.470 0.001 0.000 0.233 141 S C 1.168 175.155 174.600 -1.021 0.000 1.016 141 S CA 1.374 58.777 58.200 -1.328 0.000 0.974 141 S CB -0.506 62.104 63.200 -0.983 0.000 0.786 141 S HN 0.501 nan 8.310 nan 0.000 0.492 142 D N 0.543 120.650 120.400 -0.488 0.000 2.350 142 D HA -0.004 4.636 4.640 0.001 0.000 0.216 142 D C 0.228 176.054 176.300 -0.791 0.000 0.968 142 D CA 0.817 54.492 54.000 -0.541 0.000 0.894 142 D CB -0.213 40.324 40.800 -0.438 0.000 0.909 142 D HN 0.654 nan 8.370 nan 0.000 0.520 143 Y N -1.432 118.567 120.300 -0.503 0.000 2.636 143 Y HA 0.264 4.815 4.550 0.001 0.000 0.260 143 Y C 1.451 176.840 175.900 -0.851 0.000 1.177 143 Y CA -0.569 57.184 58.100 -0.578 0.000 1.209 143 Y CB -0.484 37.630 38.460 -0.576 0.000 1.166 143 Y HN -0.082 nan 8.280 nan 0.000 0.531 144 F N 0.662 120.204 119.950 -0.680 0.000 2.154 144 F HA -0.317 4.210 4.527 0.001 0.000 0.301 144 F C 1.798 177.324 175.800 -0.456 0.000 1.087 144 F CA 0.886 58.380 58.000 -0.842 0.000 1.274 144 F CB 0.144 38.267 39.000 -1.462 0.000 1.009 144 F HN 0.207 nan 8.300 nan 0.000 0.485 145 D N -0.078 120.367 120.400 0.075 0.000 2.117 145 D HA -0.168 4.472 4.640 0.001 0.000 0.197 145 D C 2.160 178.582 176.300 0.203 0.000 0.987 145 D CA 1.044 55.216 54.000 0.287 0.000 0.829 145 D CB -0.390 40.526 40.800 0.193 0.000 0.961 145 D HN 0.159 nan 8.370 nan 0.000 0.460 146 R N -0.181 120.347 120.500 0.045 0.000 2.081 146 R HA -0.109 4.231 4.340 0.001 0.000 0.235 146 R C 2.398 178.821 176.300 0.206 0.000 1.131 146 R CA 1.120 57.250 56.100 0.050 0.000 0.960 146 R CB -0.414 29.964 30.300 0.131 0.000 0.856 146 R HN 0.375 nan 8.270 nan 0.000 0.436 147 Y N -2.147 118.315 120.300 0.269 0.000 2.200 147 Y HA -0.283 4.267 4.550 0.001 0.000 0.290 147 Y C 2.017 178.216 175.900 0.497 0.000 1.137 147 Y CA 0.730 58.986 58.100 0.260 0.000 1.163 147 Y CB -0.312 38.208 38.460 0.101 0.000 0.988 147 Y HN 0.141 nan 8.280 nan 0.000 0.518 148 Y N 0.883 121.520 120.300 0.561 0.000 2.145 148 Y HA -0.295 4.255 4.550 0.001 0.000 0.286 148 Y C 2.494 178.608 175.900 0.357 0.000 1.145 148 Y CA 1.081 59.508 58.100 0.545 0.000 1.148 148 Y CB -0.624 38.138 38.460 0.503 0.000 0.981 148 Y HN 0.062 nan 8.280 nan 0.000 0.507 149 A N -0.979 121.989 122.820 0.247 0.000 1.972 149 A HA -0.206 4.114 4.320 0.001 0.000 0.219 149 A C 2.043 179.617 177.584 -0.017 0.000 1.169 149 A CA 1.665 53.713 52.037 0.017 0.000 0.635 149 A CB -1.359 17.590 19.000 -0.085 0.000 0.810 149 A HN 0.691 nan 8.150 nan 0.000 0.446 150 Y N -0.472 119.951 120.300 0.204 0.000 2.263 150 Y HA -0.058 4.493 4.550 0.001 0.000 0.292 150 Y C 2.868 178.915 175.900 0.246 0.000 1.130 150 Y CA 0.572 58.787 58.100 0.192 0.000 1.179 150 Y CB -0.116 38.469 38.460 0.209 0.000 0.998 150 Y HN 0.364 nan 8.280 nan 0.000 0.532 151 A N 0.376 123.495 122.820 0.497 0.000 1.902 151 A HA -0.207 4.113 4.320 0.001 0.000 0.217 151 A C 1.962 179.594 177.584 0.081 0.000 1.181 151 A CA 1.802 54.031 52.037 0.320 0.000 0.623 151 A CB -0.508 18.733 19.000 0.400 0.000 0.818 151 A HN 0.485 nan 8.150 nan 0.000 0.443 152 E N -0.794 119.382 120.200 -0.039 0.000 2.106 152 E HA -0.232 4.118 4.350 0.001 0.000 0.192 152 E C 2.259 178.858 176.600 -0.001 0.000 0.984 152 E CA 1.169 57.518 56.400 -0.086 0.000 0.806 152 E CB -0.171 29.439 29.700 -0.149 0.000 0.750 152 E HN 0.791 nan 8.360 nan 0.000 0.458 153 Q N 0.893 120.718 119.800 0.040 0.000 2.050 153 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 153 Q C 2.334 178.365 176.000 0.052 0.000 0.980 153 Q CA 1.049 56.879 55.803 0.046 0.000 0.840 153 Q CB -0.025 28.760 28.738 0.078 0.000 0.898 153 Q HN 0.290 nan 8.270 nan 0.000 0.424 154 L N 0.415 121.692 121.223 0.091 0.000 2.042 154 L HA -0.243 4.097 4.340 0.001 0.000 0.210 154 L C 2.477 179.395 176.870 0.079 0.000 1.076 154 L CA 1.055 55.946 54.840 0.085 0.000 0.749 154 L CB -0.454 41.685 42.059 0.133 0.000 0.893 154 L HN 0.344 nan 8.230 nan 0.000 0.432 155 I N -0.403 120.204 120.570 0.062 0.000 2.127 155 I HA -0.323 3.848 4.170 0.001 0.000 0.241 155 I C 2.713 178.859 176.117 0.048 0.000 1.075 155 I CA 1.420 62.754 61.300 0.057 0.000 1.334 155 I CB -0.342 37.673 38.000 0.026 0.000 1.040 155 I HN 0.226 nan 8.210 nan 0.000 0.405 156 R N 0.416 120.934 120.500 0.029 0.000 2.152 156 R HA -0.177 4.164 4.340 0.001 0.000 0.232 156 R C 1.937 178.250 176.300 0.022 0.000 1.117 156 R CA 1.043 57.156 56.100 0.021 0.000 0.981 156 R CB -0.220 30.085 30.300 0.009 0.000 0.870 156 R HN 0.541 nan 8.270 nan 0.000 0.451 157 Q N -0.619 119.197 119.800 0.026 0.000 2.403 157 Q HA 0.099 4.440 4.340 0.001 0.000 0.203 157 Q C 0.661 176.686 176.000 0.043 0.000 0.932 157 Q CA 0.412 56.226 55.803 0.020 0.000 0.945 157 Q CB 0.938 29.675 28.738 -0.002 0.000 1.045 157 Q HN 0.514 nan 8.270 nan 0.000 0.511 158 G N 1.573 110.411 108.800 0.062 0.000 2.176 158 G HA2 -0.228 3.733 3.960 0.001 0.000 0.252 158 G HA3 -0.228 3.733 3.960 0.001 0.000 0.252 158 G C 0.062 175.042 174.900 0.132 0.000 1.024 158 G CA 0.441 45.590 45.100 0.082 0.000 0.755 158 G HN 0.339 nan 8.290 nan 0.000 0.507 159 D N -0.037 120.459 120.400 0.160 0.000 2.398 159 D HA 0.499 5.139 4.640 0.001 0.000 0.210 159 D C 1.044 177.546 176.300 0.337 0.000 1.094 159 D CA 1.064 55.232 54.000 0.280 0.000 0.839 159 D CB 0.800 41.736 40.800 0.226 0.000 0.963 159 D HN 0.989 nan 8.370 nan 0.000 0.506 160 A N 0.603 123.564 122.820 0.235 0.000 2.574 160 A HA 0.600 4.921 4.320 0.001 0.000 0.297 160 A C -1.665 176.046 177.584 0.212 0.000 1.062 160 A CA -0.916 51.225 52.037 0.174 0.000 0.686 160 A CB 1.147 20.192 19.000 0.074 0.000 1.285 160 A HN 0.114 nan 8.150 nan 0.000 0.403 161 Y N -0.882 119.430 120.300 0.019 0.000 2.588 161 Y HA 0.751 5.301 4.550 0.001 0.000 0.343 161 Y C -1.056 174.849 175.900 0.007 0.000 1.065 161 Y CA -1.532 56.579 58.100 0.019 0.000 1.038 161 Y CB 1.204 39.684 38.460 0.033 0.000 1.297 161 Y HN 0.426 nan 8.280 nan 0.000 0.467 162 V N 2.716 122.704 119.914 0.123 0.000 2.406 162 V HA 0.241 4.362 4.120 0.001 0.000 0.272 162 V C -0.223 175.925 176.094 0.090 0.000 1.043 162 V CA -0.201 62.099 62.300 -0.001 0.000 0.915 162 V CB 0.730 32.523 31.823 -0.051 0.000 0.988 162 V HN 0.750 nan 8.190 nan 0.000 0.466 163 E N 3.398 123.582 120.200 -0.027 0.000 2.227 163 E HA 0.397 4.748 4.350 0.001 0.000 0.282 163 E C 0.294 176.825 176.600 -0.114 0.000 1.015 163 E CA 0.007 56.427 56.400 0.034 0.000 0.823 163 E CB 1.591 31.277 29.700 -0.023 0.000 1.081 163 E HN 0.550 nan 8.360 nan 0.000 0.396 164 S N 2.567 118.021 115.700 -0.410 0.000 2.819 164 S HA 0.160 4.631 4.470 0.001 0.000 0.249 164 S C -0.043 174.295 174.600 -0.438 0.000 1.030 164 S CA -0.438 57.485 58.200 -0.461 0.000 1.052 164 S CB 0.672 63.461 63.200 -0.685 0.000 1.017 164 S HN 0.424 nan 8.310 nan 0.000 0.576 165 V N 2.404 122.179 119.914 -0.232 0.000 3.133 165 V HA 0.425 4.545 4.120 0.001 0.000 0.305 165 V C 0.673 176.734 176.094 -0.055 0.000 1.084 165 V CA -0.202 62.082 62.300 -0.028 0.000 1.089 165 V CB 1.647 33.536 31.823 0.110 0.000 1.073 165 V HN 0.438 nan 8.190 nan 0.000 0.477 166 S N 4.617 120.304 115.700 -0.022 0.000 2.568 166 S HA 0.191 4.662 4.470 0.001 0.000 0.282 166 S C -1.516 173.072 174.600 -0.020 0.000 1.338 166 S CA -0.177 58.004 58.200 -0.032 0.000 1.045 166 S CB 0.907 64.101 63.200 -0.011 0.000 0.873 166 S HN 0.692 nan 8.310 nan 0.000 0.516 167 P HA -0.078 nan 4.420 nan 0.000 0.218 167 P C 0.892 178.190 177.300 -0.003 0.000 1.148 167 P CA 1.320 64.412 63.100 -0.013 0.000 0.822 167 P CB 0.046 31.739 31.700 -0.012 0.000 0.784 168 E N -0.625 119.574 120.200 -0.001 0.000 2.107 168 E HA -0.158 4.193 4.350 0.001 0.000 0.191 168 E C 1.965 178.570 176.600 0.009 0.000 0.982 168 E CA 0.630 57.032 56.400 0.004 0.000 0.809 168 E CB -0.356 29.346 29.700 0.003 0.000 0.756 168 E HN 0.258 nan 8.360 nan 0.000 0.459 169 E N 1.177 121.384 120.200 0.013 0.000 2.072 169 E HA -0.139 4.211 4.350 0.001 0.000 0.191 169 E C 2.185 178.802 176.600 0.029 0.000 0.985 169 E CA 0.424 56.838 56.400 0.024 0.000 0.801 169 E CB -0.204 29.518 29.700 0.036 0.000 0.750 169 E HN 0.249 nan 8.360 nan 0.000 0.452 170 L N 0.543 121.782 121.223 0.026 0.000 2.043 170 L HA -0.228 4.113 4.340 0.001 0.000 0.212 170 L C 2.527 179.409 176.870 0.021 0.000 1.075 170 L CA 1.809 56.667 54.840 0.030 0.000 0.752 170 L CB -0.284 41.785 42.059 0.016 0.000 0.891 170 L HN 0.059 nan 8.230 nan 0.000 0.432 171 S N -0.727 114.980 115.700 0.012 0.000 2.387 171 S HA -0.197 4.273 4.470 0.001 0.000 0.226 171 S C 2.176 176.781 174.600 0.008 0.000 1.026 171 S CA 1.120 59.324 58.200 0.007 0.000 0.972 171 S CB -0.254 62.948 63.200 0.003 0.000 0.814 171 S HN 0.470 nan 8.310 nan 0.000 0.477 172 R N 0.268 120.775 120.500 0.011 0.000 2.075 172 R HA 0.059 4.400 4.340 0.001 0.000 0.232 172 R C 2.193 178.501 176.300 0.013 0.000 1.126 172 R CA 1.392 57.498 56.100 0.011 0.000 0.963 172 R CB -0.343 29.964 30.300 0.012 0.000 0.858 172 R HN 0.421 nan 8.270 nan 0.000 0.435 173 L N -0.038 121.197 121.223 0.021 0.000 2.201 173 L HA -0.081 4.259 4.340 0.001 0.000 0.212 173 L C 2.701 179.583 176.870 0.020 0.000 1.105 173 L CA 0.931 55.785 54.840 0.024 0.000 0.775 173 L CB -0.343 41.740 42.059 0.040 0.000 0.913 173 L HN 0.199 nan 8.230 nan 0.000 0.440 174 R N 0.344 120.855 120.500 0.018 0.000 2.105 174 R HA -0.053 4.287 4.340 0.001 0.000 0.239 174 R C 1.056 177.358 176.300 0.003 0.000 1.135 174 R CA 1.015 57.122 56.100 0.011 0.000 0.967 174 R CB -0.145 30.158 30.300 0.006 0.000 0.861 174 R HN 0.415 nan 8.270 nan 0.000 0.442 175 G N -0.877 107.925 108.800 0.002 0.000 2.615 175 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 175 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 175 G C -1.009 173.889 174.900 -0.005 0.000 1.339 175 G CA -0.155 44.944 45.100 -0.001 0.000 0.884 175 G HN 0.438 nan 8.290 nan 0.000 0.559 176 N N -1.200 117.496 118.700 -0.006 0.000 3.157 176 N HA 0.586 5.326 4.740 0.001 0.000 0.291 176 N C 1.081 176.585 175.510 -0.009 0.000 1.515 176 N CA -0.107 52.938 53.050 -0.008 0.000 0.807 176 N CB 1.361 39.844 38.487 -0.008 0.000 1.672 176 N HN 1.244 nan 8.380 nan 0.000 0.592 177 A N -0.410 122.404 122.820 -0.010 0.000 2.239 177 A HA -0.019 4.301 4.320 0.001 0.000 0.209 177 A C 1.332 178.911 177.584 -0.008 0.000 1.171 177 A CA 1.580 53.611 52.037 -0.010 0.000 0.768 177 A CB -0.726 18.267 19.000 -0.011 0.000 0.790 177 A HN 0.699 nan 8.150 nan 0.000 0.478 178 T N -4.984 109.565 114.554 -0.007 0.000 3.043 178 T HA 0.285 4.635 4.350 0.001 0.000 0.272 178 T C 0.392 175.089 174.700 -0.005 0.000 0.990 178 T CA 0.641 62.737 62.100 -0.006 0.000 0.897 178 T CB 0.112 68.976 68.868 -0.006 0.000 1.111 178 T HN 0.395 nan 8.240 nan 0.000 0.529 179 T N 3.101 117.652 114.554 -0.005 0.000 3.187 179 T HA 0.445 4.796 4.350 0.001 0.000 0.328 179 T C -3.304 171.393 174.700 -0.004 0.000 0.951 179 T CA -1.533 60.565 62.100 -0.004 0.000 1.049 179 T CB 1.663 70.529 68.868 -0.004 0.000 1.015 179 T HN -0.059 nan 8.240 nan 0.000 0.461 180 P HA 0.232 nan 4.420 nan 0.000 0.266 180 P C 0.827 178.125 177.300 -0.003 0.000 1.193 180 P CA 0.188 63.286 63.100 -0.005 0.000 0.770 180 P CB 0.381 32.078 31.700 -0.005 0.000 0.836 181 G N 1.694 110.492 108.800 -0.003 0.000 2.636 181 G HA2 0.362 4.322 3.960 0.001 0.000 0.246 181 G HA3 0.362 4.322 3.960 0.001 0.000 0.246 181 G C -0.598 174.302 174.900 0.000 0.000 1.216 181 G CA -0.065 45.036 45.100 0.001 0.000 0.854 181 G HN 0.483 nan 8.290 nan 0.000 0.572 182 T N 2.174 116.731 114.554 0.004 0.000 2.848 182 T HA 0.502 4.853 4.350 0.001 0.000 0.285 182 T C -2.490 172.210 174.700 0.001 0.000 0.995 182 T CA -0.597 61.502 62.100 -0.002 0.000 0.970 182 T CB 2.118 70.984 68.868 -0.002 0.000 0.976 182 T HN 0.267 nan 8.240 nan 0.000 0.441 183 P HA 0.174 nan 4.420 nan 0.000 0.268 183 P C -0.126 177.164 177.300 -0.017 0.000 1.205 183 P CA -0.288 62.791 63.100 -0.035 0.000 0.771 183 P CB 0.434 32.087 31.700 -0.079 0.000 0.858 184 S N 3.373 119.084 115.700 0.018 0.000 2.661 184 S HA 0.364 4.834 4.470 0.001 0.000 0.265 184 S C -1.512 173.067 174.600 -0.035 0.000 1.225 184 S CA -0.952 57.286 58.200 0.063 0.000 0.986 184 S CB -0.033 63.300 63.200 0.221 0.000 1.008 184 S HN 0.355 nan 8.310 nan 0.000 0.565 185 P HA 0.061 nan 4.420 nan 0.000 0.242 185 P C -0.073 176.927 177.300 -0.500 0.000 1.197 185 P CA 0.750 63.636 63.100 -0.358 0.000 0.765 185 P CB -0.301 31.111 31.700 -0.479 0.000 0.936 186 Y N -1.046 119.237 120.300 -0.029 0.000 2.444 186 Y HA 0.319 4.869 4.550 0.001 0.000 0.249 186 Y C 2.659 178.478 175.900 -0.135 0.000 1.134 186 Y CA -0.374 57.716 58.100 -0.016 0.000 1.261 186 Y CB -0.415 38.094 38.460 0.081 0.000 1.143 186 Y HN -0.204 nan 8.280 nan 0.000 0.523 187 R N 0.883 121.233 120.500 -0.250 0.000 2.127 187 R HA -0.147 4.194 4.340 0.001 0.000 0.238 187 R C 0.214 176.222 176.300 -0.487 0.000 1.134 187 R CA 1.847 57.444 56.100 -0.839 0.000 0.975 187 R CB -0.061 29.831 30.300 -0.681 0.000 0.865 187 R HN 0.197 nan 8.270 nan 0.000 0.447 188 D N 0.561 120.820 120.400 -0.234 0.000 2.370 188 D HA 0.029 4.670 4.640 0.001 0.000 0.230 188 D C -0.145 176.118 176.300 -0.062 0.000 1.143 188 D CA 0.123 54.043 54.000 -0.133 0.000 0.834 188 D CB 0.095 40.830 40.800 -0.108 0.000 0.944 188 D HN 0.158 nan 8.370 nan 0.000 0.504 189 R N 0.871 121.358 120.500 -0.021 0.000 2.734 189 R HA 0.127 4.467 4.340 0.001 0.000 0.266 189 R C 1.021 177.338 176.300 0.029 0.000 1.044 189 R CA 0.002 56.120 56.100 0.031 0.000 1.128 189 R CB 0.585 30.943 30.300 0.097 0.000 1.010 189 R HN 0.091 nan 8.270 nan 0.000 0.461 190 S N 0.151 115.866 115.700 0.026 0.000 2.600 190 S HA 0.035 4.505 4.470 0.001 0.000 0.265 190 S C 1.544 176.163 174.600 0.033 0.000 1.325 190 S CA -0.950 57.263 58.200 0.023 0.000 1.002 190 S CB 1.131 64.341 63.200 0.015 0.000 0.921 190 S HN 0.352 nan 8.310 nan 0.000 0.554 191 V N 1.789 121.720 119.914 0.029 0.000 2.287 191 V HA -0.176 3.944 4.120 0.001 0.000 0.248 191 V C 2.640 178.749 176.094 0.025 0.000 1.053 191 V CA 2.416 64.734 62.300 0.030 0.000 1.027 191 V CB -1.409 30.427 31.823 0.022 0.000 0.646 191 V HN 0.860 nan 8.190 nan 0.000 0.447 192 E N 0.237 120.449 120.200 0.020 0.000 2.049 192 E HA -0.257 4.094 4.350 0.001 0.000 0.198 192 E C 2.190 178.802 176.600 0.021 0.000 1.007 192 E CA 1.794 58.205 56.400 0.018 0.000 0.809 192 E CB -0.435 29.274 29.700 0.015 0.000 0.749 192 E HN 0.742 nan 8.360 nan 0.000 0.450 193 E N 0.211 120.426 120.200 0.024 0.000 2.051 193 E HA -0.206 4.145 4.350 0.001 0.000 0.192 193 E C 1.698 178.312 176.600 0.023 0.000 0.991 193 E CA 1.149 57.565 56.400 0.026 0.000 0.799 193 E CB 0.015 29.735 29.700 0.034 0.000 0.748 193 E HN 0.153 nan 8.360 nan 0.000 0.449 194 N N 0.537 119.257 118.700 0.034 0.000 2.120 194 N HA -0.140 4.600 4.740 0.001 0.000 0.188 194 N C 2.044 177.563 175.510 0.016 0.000 1.024 194 N CA 0.841 53.911 53.050 0.033 0.000 0.852 194 N CB -0.237 38.288 38.487 0.063 0.000 1.003 194 N HN 0.247 nan 8.380 nan 0.000 0.424 195 L N 0.619 121.851 121.223 0.016 0.000 2.046 195 L HA -0.188 4.153 4.340 0.001 0.000 0.208 195 L C 2.094 178.981 176.870 0.029 0.000 1.077 195 L CA 1.355 56.202 54.840 0.011 0.000 0.747 195 L CB -0.434 41.631 42.059 0.011 0.000 0.896 195 L HN 0.123 nan 8.230 nan 0.000 0.432 196 D N 0.101 120.517 120.400 0.027 0.000 2.117 196 D HA -0.176 4.465 4.640 0.001 0.000 0.198 196 D C 2.333 178.659 176.300 0.043 0.000 0.982 196 D CA 1.017 55.037 54.000 0.033 0.000 0.828 196 D CB 0.065 40.881 40.800 0.027 0.000 0.967 196 D HN 0.170 nan 8.370 nan 0.000 0.464 197 L N -0.114 121.120 121.223 0.019 0.000 2.093 197 L HA -0.086 4.255 4.340 0.001 0.000 0.208 197 L C 2.342 179.232 176.870 0.034 0.000 1.085 197 L CA 0.318 55.157 54.840 -0.001 0.000 0.755 197 L CB -0.353 41.617 42.059 -0.149 0.000 0.904 197 L HN 0.233 nan 8.230 nan 0.000 0.435 198 L N 0.121 121.364 121.223 0.032 0.000 2.056 198 L HA -0.195 4.145 4.340 0.001 0.000 0.207 198 L C 2.717 179.668 176.870 0.136 0.000 1.078 198 L CA 1.616 56.495 54.840 0.064 0.000 0.749 198 L CB -0.522 41.557 42.059 0.033 0.000 0.901 198 L HN 0.101 nan 8.230 nan 0.000 0.433 199 R N -0.723 119.861 120.500 0.140 0.000 2.091 199 R HA -0.164 4.176 4.340 0.001 0.000 0.238 199 R C 2.356 178.660 176.300 0.006 0.000 1.136 199 R CA 1.721 57.885 56.100 0.107 0.000 0.959 199 R CB -0.111 30.237 30.300 0.080 0.000 0.856 199 R HN 0.333 nan 8.270 nan 0.000 0.437 200 R N -0.642 119.882 120.500 0.040 0.000 2.153 200 R HA 0.021 4.362 4.340 0.001 0.000 0.218 200 R C 2.270 178.590 176.300 0.032 0.000 1.072 200 R CA 1.302 57.398 56.100 -0.006 0.000 0.990 200 R CB -0.103 30.231 30.300 0.057 0.000 0.889 200 R HN 0.248 nan 8.270 nan 0.000 0.452 201 M N 0.541 120.242 119.600 0.168 0.000 2.132 201 M HA -0.149 4.332 4.480 0.001 0.000 0.263 201 M C 2.357 178.693 176.300 0.060 0.000 1.065 201 M CA 1.566 56.991 55.300 0.209 0.000 1.122 201 M CB -0.086 32.610 32.600 0.160 0.000 1.365 201 M HN -0.024 nan 8.290 nan 0.000 0.411 202 K N 0.591 120.978 120.400 -0.023 0.000 2.097 202 K HA -0.129 4.191 4.320 0.001 0.000 0.206 202 K C 1.743 178.262 176.600 -0.133 0.000 1.049 202 K CA 1.528 57.736 56.287 -0.132 0.000 0.933 202 K CB -0.097 32.200 32.500 -0.337 0.000 0.717 202 K HN 0.302 nan 8.250 nan 0.000 0.442 203 A N 0.212 122.922 122.820 -0.182 0.000 2.168 203 A HA 0.094 4.414 4.320 0.001 0.000 0.215 203 A C 1.417 178.710 177.584 -0.486 0.000 1.152 203 A CA 1.184 53.075 52.037 -0.242 0.000 0.716 203 A CB -0.559 18.304 19.000 -0.228 0.000 0.794 203 A HN 0.630 nan 8.150 nan 0.000 0.465 204 G N -0.700 107.785 108.800 -0.526 0.000 2.132 204 G HA2 -0.311 3.649 3.960 0.001 0.000 0.234 204 G HA3 -0.311 3.649 3.960 0.001 0.000 0.234 204 G C 0.615 175.229 174.900 -0.476 0.000 0.989 204 G CA 0.830 45.428 45.100 -0.838 0.000 0.676 204 G HN 0.671 nan 8.290 nan 0.000 0.522 205 E N -0.919 119.004 120.200 -0.462 0.000 2.265 205 E HA 0.106 4.457 4.350 0.001 0.000 0.196 205 E C 0.477 176.670 176.600 -0.678 0.000 0.996 205 E CA 0.373 56.397 56.400 -0.627 0.000 0.832 205 E CB -0.031 29.149 29.700 -0.868 0.000 0.756 205 E HN 0.573 nan 8.360 nan 0.000 0.491 206 F N -0.143 119.797 119.950 -0.017 0.000 2.556 206 F HA 0.559 5.087 4.527 0.001 0.000 0.327 206 F C 0.469 176.282 175.800 0.022 0.000 1.059 206 F CA -1.130 56.892 58.000 0.037 0.000 0.953 206 F CB 1.222 40.318 39.000 0.160 0.000 1.227 206 F HN -0.153 nan 8.300 nan 0.000 0.478 207 A N 0.565 123.513 122.820 0.213 0.000 2.346 207 A HA 0.307 4.627 4.320 0.001 0.000 0.252 207 A C -0.567 177.084 177.584 0.113 0.000 1.089 207 A CA -0.675 51.435 52.037 0.121 0.000 0.797 207 A CB 0.038 19.084 19.000 0.076 0.000 1.047 207 A HN 0.696 nan 8.150 nan 0.000 0.494 208 D N 0.035 120.494 120.400 0.099 0.000 2.472 208 D HA 0.376 5.016 4.640 0.001 0.000 0.237 208 D C 1.376 177.703 176.300 0.045 0.000 1.141 208 D CA 1.851 55.907 54.000 0.094 0.000 0.875 208 D CB 0.409 41.264 40.800 0.093 0.000 1.192 208 D HN 1.112 nan 8.370 nan 0.000 0.450 209 G N 1.920 110.742 108.800 0.036 0.000 2.189 209 G HA2 -0.415 3.545 3.960 0.001 0.000 0.267 209 G HA3 -0.415 3.545 3.960 0.001 0.000 0.267 209 G C 0.997 175.842 174.900 -0.092 0.000 0.975 209 G CA 0.666 45.760 45.100 -0.011 0.000 0.644 209 G HN 0.591 nan 8.290 nan 0.000 0.537 210 E N -0.401 119.713 120.200 -0.143 0.000 2.152 210 E HA -0.030 4.320 4.350 0.001 0.000 0.192 210 E C 0.617 176.755 176.600 -0.771 0.000 0.983 210 E CA 0.760 56.915 56.400 -0.408 0.000 0.818 210 E CB 0.074 29.554 29.700 -0.366 0.000 0.758 210 E HN 0.701 nan 8.360 nan 0.000 0.467 211 H N -1.578 117.418 119.070 -0.124 0.000 3.016 211 H HA 0.380 4.936 4.556 0.001 0.000 0.362 211 H C -0.837 174.443 175.328 -0.079 0.000 1.233 211 H CA -0.631 55.315 56.048 -0.170 0.000 1.124 211 H CB 1.685 31.287 29.762 -0.266 0.000 1.850 211 H HN -0.041 nan 8.280 nan 0.000 0.549 212 V N -0.216 119.722 119.914 0.041 0.000 3.012 212 V HA 0.496 4.616 4.120 0.001 0.000 0.307 212 V C -1.120 174.943 176.094 -0.051 0.000 1.166 212 V CA -1.029 61.280 62.300 0.014 0.000 0.974 212 V CB 2.379 34.191 31.823 -0.019 0.000 1.040 212 V HN 0.463 nan 8.190 nan 0.000 0.428 213 L N 3.432 124.636 121.223 -0.032 0.000 2.289 213 L HA 0.762 5.103 4.340 0.001 0.000 0.285 213 L C 0.089 176.811 176.870 -0.246 0.000 1.049 213 L CA 0.082 54.855 54.840 -0.112 0.000 0.804 213 L CB 1.020 43.096 42.059 0.028 0.000 1.195 213 L HN 0.850 nan 8.230 nan 0.000 0.428 214 R N 3.970 124.188 120.500 -0.469 0.000 2.740 214 R HA 0.795 5.136 4.340 0.001 0.000 0.282 214 R C -0.727 175.314 176.300 -0.432 0.000 0.969 214 R CA -0.902 54.885 56.100 -0.520 0.000 0.918 214 R CB 1.655 31.508 30.300 -0.746 0.000 1.175 214 R HN 0.784 nan 8.270 nan 0.000 0.464 215 A N 1.961 124.601 122.820 -0.300 0.000 2.407 215 A HA 0.144 4.465 4.320 0.001 0.000 0.248 215 A C -0.236 177.266 177.584 -0.137 0.000 1.082 215 A CA -0.128 51.781 52.037 -0.213 0.000 0.785 215 A CB 0.327 19.046 19.000 -0.468 0.000 1.020 215 A HN 0.657 nan 8.150 nan 0.000 0.489 216 K N 3.271 123.713 120.400 0.070 0.000 2.300 216 K HA 0.501 4.822 4.320 0.001 0.000 0.264 216 K C -0.454 176.160 176.600 0.024 0.000 1.083 216 K CA -0.186 56.214 56.287 0.188 0.000 0.958 216 K CB -0.054 32.624 32.500 0.296 0.000 1.318 216 K HN 0.744 nan 8.250 nan 0.000 0.448 217 I N 0.737 121.219 120.570 -0.147 0.000 5.215 217 I HA 0.230 4.401 4.170 0.001 0.000 0.239 217 I C -0.354 175.714 176.117 -0.082 0.000 0.740 217 I CA -0.589 60.570 61.300 -0.234 0.000 2.528 217 I CB 0.414 38.046 38.000 -0.613 0.000 1.449 217 I HN 0.421 nan 8.210 nan 0.000 0.507 218 D N 0.569 120.908 120.400 -0.102 0.000 2.402 218 D HA 0.316 4.956 4.640 0.001 0.000 0.252 218 D C 0.089 176.366 176.300 -0.038 0.000 1.294 218 D CA -0.246 53.728 54.000 -0.043 0.000 0.948 218 D CB 1.105 41.890 40.800 -0.025 0.000 1.202 218 D HN 0.245 nan 8.370 nan 0.000 0.561 219 L N 2.471 123.682 121.223 -0.020 0.000 2.633 219 L HA 0.029 4.370 4.340 0.001 0.000 0.235 219 L C 1.811 178.674 176.870 -0.012 0.000 1.163 219 L CA 1.303 56.135 54.840 -0.013 0.000 0.859 219 L CB -0.389 41.669 42.059 -0.001 0.000 0.973 219 L HN 0.521 nan 8.230 nan 0.000 0.451 220 T N -4.443 110.103 114.554 -0.012 0.000 3.010 220 T HA 0.355 4.706 4.350 0.001 0.000 0.257 220 T C 0.870 175.565 174.700 -0.009 0.000 1.020 220 T CA 0.157 62.252 62.100 -0.009 0.000 0.938 220 T CB 0.220 69.085 68.868 -0.005 0.000 1.049 220 T HN 0.125 nan 8.240 nan 0.000 0.522 221 A N 3.525 126.337 122.820 -0.013 0.000 2.520 221 A HA 0.416 4.737 4.320 0.001 0.000 0.235 221 A C -0.493 177.085 177.584 -0.010 0.000 1.065 221 A CA -0.911 51.119 52.037 -0.011 0.000 0.764 221 A CB 0.203 19.192 19.000 -0.018 0.000 1.002 221 A HN 0.314 nan 8.150 nan 0.000 0.502 222 P HA -0.081 nan 4.420 nan 0.000 0.225 222 P C 0.146 177.441 177.300 -0.008 0.000 1.156 222 P CA 0.653 63.749 63.100 -0.006 0.000 0.787 222 P CB -0.065 31.633 31.700 -0.003 0.000 0.802 223 N N 0.781 119.476 118.700 -0.008 0.000 2.415 223 N HA 0.094 4.834 4.740 0.001 0.000 0.246 223 N C 1.253 176.753 175.510 -0.016 0.000 1.078 223 N CA -0.100 52.945 53.050 -0.009 0.000 0.942 223 N CB 0.314 38.800 38.487 -0.001 0.000 1.140 223 N HN -0.246 nan 8.380 nan 0.000 0.501 224 M N 2.493 122.082 119.600 -0.017 0.000 2.195 224 M HA -0.159 4.322 4.480 0.001 0.000 0.260 224 M C 1.335 177.618 176.300 -0.027 0.000 1.066 224 M CA 1.283 56.571 55.300 -0.021 0.000 1.089 224 M CB -0.584 32.005 32.600 -0.020 0.000 1.377 224 M HN 0.468 nan 8.290 nan 0.000 0.411 225 K N 0.270 120.657 120.400 -0.020 0.000 2.280 225 K HA -0.001 4.319 4.320 0.001 0.000 0.202 225 K C 1.865 178.430 176.600 -0.058 0.000 1.047 225 K CA 0.855 57.130 56.287 -0.020 0.000 0.942 225 K CB -0.418 32.090 32.500 0.013 0.000 0.739 225 K HN 0.431 nan 8.250 nan 0.000 0.457 226 L N 0.532 121.714 121.223 -0.069 0.000 2.591 226 L HA 0.042 4.383 4.340 0.001 0.000 0.228 226 L C 0.594 177.377 176.870 -0.144 0.000 1.133 226 L CA 0.077 54.839 54.840 -0.130 0.000 0.880 226 L CB 0.074 42.076 42.059 -0.095 0.000 1.033 226 L HN -0.081 nan 8.230 nan 0.000 0.450 227 R N 1.319 121.763 120.500 -0.093 0.000 3.701 227 R HA 0.099 4.439 4.340 0.001 0.000 0.210 227 R C -0.718 175.539 176.300 -0.071 0.000 1.598 227 R CA -0.304 55.755 56.100 -0.068 0.000 1.427 227 R CB -0.336 29.943 30.300 -0.036 0.000 1.339 227 R HN 0.065 nan 8.270 nan 0.000 0.720 228 D N 1.741 122.074 120.400 -0.112 0.000 2.803 228 D HA -0.112 4.528 4.640 0.001 0.000 0.233 228 D C -2.299 173.918 176.300 -0.138 0.000 1.182 228 D CA 0.586 54.522 54.000 -0.107 0.000 0.726 228 D CB -0.385 40.446 40.800 0.052 0.000 0.987 228 D HN 0.343 nan 8.370 nan 0.000 0.412 229 P HA 0.046 nan 4.420 nan 0.000 0.271 229 P C 0.225 177.435 177.300 -0.150 0.000 1.218 229 P CA -0.449 62.575 63.100 -0.127 0.000 0.780 229 P CB 0.917 32.553 31.700 -0.107 0.000 0.901 230 V N 4.364 124.216 119.914 -0.104 0.000 2.637 230 V HA -0.023 4.098 4.120 0.001 0.000 0.296 230 V C 1.833 177.853 176.094 -0.122 0.000 1.046 230 V CA 0.500 62.733 62.300 -0.111 0.000 1.066 230 V CB 0.229 32.024 31.823 -0.046 0.000 0.968 230 V HN 0.486 nan 8.190 nan 0.000 0.483 231 L N 3.895 124.991 121.223 -0.212 0.000 2.467 231 L HA 0.339 4.679 4.340 0.001 0.000 0.213 231 L C -0.082 176.609 176.870 -0.298 0.000 1.053 231 L CA 0.427 55.029 54.840 -0.396 0.000 0.847 231 L CB 0.207 41.721 42.059 -0.909 0.000 1.075 231 L HN 0.495 nan 8.230 nan 0.000 0.479 232 Y N -0.315 119.938 120.300 -0.078 0.000 2.524 232 Y HA 0.532 5.083 4.550 0.001 0.000 0.347 232 Y C -0.272 175.659 175.900 0.053 0.000 1.005 232 Y CA -0.889 57.237 58.100 0.044 0.000 1.025 232 Y CB 2.095 40.592 38.460 0.062 0.000 1.275 232 Y HN -0.160 nan 8.280 nan 0.000 0.460 233 R N 2.561 123.258 120.500 0.327 0.000 2.795 233 R HA 0.598 4.938 4.340 0.001 0.000 0.275 233 R C -1.514 174.936 176.300 0.250 0.000 0.981 233 R CA -1.066 55.168 56.100 0.224 0.000 0.917 233 R CB 2.444 32.855 30.300 0.184 0.000 1.202 233 R HN 0.570 nan 8.270 nan 0.000 0.469 234 I N 2.016 122.707 120.570 0.202 0.000 2.395 234 I HA 0.256 4.427 4.170 0.001 0.000 0.289 234 I C -0.475 175.788 176.117 0.243 0.000 1.023 234 I CA -0.482 60.951 61.300 0.222 0.000 1.350 234 I CB 1.405 39.524 38.000 0.199 0.000 1.409 234 I HN 0.154 nan 8.210 nan 0.000 0.507 235 V N 5.960 126.066 119.914 0.320 0.000 2.559 235 V HA 0.184 4.305 4.120 0.001 0.000 0.289 235 V C -0.313 175.978 176.094 0.328 0.000 1.036 235 V CA -0.854 61.621 62.300 0.292 0.000 0.887 235 V CB 1.439 33.427 31.823 0.275 0.000 1.022 235 V HN 0.642 nan 8.190 nan 0.000 0.442 236 N N 5.323 124.181 118.700 0.264 0.000 3.050 236 N HA 0.248 4.988 4.740 0.001 0.000 0.289 236 N C -0.376 175.245 175.510 0.185 0.000 1.209 236 N CA -0.097 53.128 53.050 0.291 0.000 1.154 236 N CB 0.431 39.079 38.487 0.269 0.000 1.444 236 N HN 0.511 nan 8.380 nan 0.000 0.529 237 K N 1.149 121.649 120.400 0.166 0.000 2.502 237 K HA 0.497 4.817 4.320 0.001 0.000 0.257 237 K C -2.551 174.126 176.600 0.128 0.000 0.938 237 K CA -1.467 54.886 56.287 0.110 0.000 0.819 237 K CB 2.712 35.249 32.500 0.062 0.000 1.333 237 K HN 0.075 nan 8.250 nan 0.000 0.434 238 P HA 0.143 nan 4.420 nan 0.000 0.276 238 P C -0.741 176.683 177.300 0.208 0.000 1.252 238 P CA -0.149 63.042 63.100 0.153 0.000 0.802 238 P CB 0.918 32.682 31.700 0.106 0.000 1.035 239 H N 1.846 121.027 119.070 0.186 0.000 2.469 239 H HA 0.148 4.704 4.556 0.001 0.000 0.342 239 H C 0.775 176.217 175.328 0.190 0.000 1.115 239 H CA -0.628 55.557 56.048 0.229 0.000 1.204 239 H CB 1.129 31.111 29.762 0.367 0.000 1.492 239 H HN 0.434 nan 8.280 nan 0.000 0.499 240 F N 3.734 123.520 119.950 -0.273 0.000 2.449 240 F HA -0.052 4.476 4.527 0.001 0.000 0.299 240 F C 1.242 177.051 175.800 0.014 0.000 1.092 240 F CA 0.739 58.663 58.000 -0.127 0.000 1.446 240 F CB 0.051 38.935 39.000 -0.192 0.000 1.084 240 F HN 0.307 nan 8.300 nan 0.000 0.567 241 R N -0.091 120.133 120.500 -0.461 0.000 2.302 241 R HA 0.074 4.414 4.340 0.001 0.000 0.187 241 R C 2.059 178.312 176.300 -0.078 0.000 0.904 241 R CA 0.979 56.812 56.100 -0.444 0.000 1.105 241 R CB -0.178 29.658 30.300 -0.772 0.000 1.239 241 R HN 0.364 nan 8.270 nan 0.000 0.620 242 T N -1.334 113.311 114.554 0.152 0.000 3.129 242 T HA 0.120 4.471 4.350 0.001 0.000 0.251 242 T C 0.957 175.776 174.700 0.199 0.000 1.117 242 T CA 0.540 62.735 62.100 0.157 0.000 1.034 242 T CB 0.308 69.346 68.868 0.283 0.000 0.968 242 T HN 0.189 nan 8.240 nan 0.000 0.526 243 S N 1.798 117.612 115.700 0.190 0.000 4.114 243 S HA -0.338 4.132 4.470 0.001 0.000 0.618 243 S C 0.413 175.102 174.600 0.148 0.000 1.937 243 S CA 1.673 59.956 58.200 0.137 0.000 4.228 243 S CB -1.719 61.521 63.200 0.066 0.000 0.216 243 S HN 0.729 nan 8.310 nan 0.000 0.528 244 D N 0.688 121.131 120.400 0.071 0.000 2.427 244 D HA 0.345 4.986 4.640 0.001 0.000 0.224 244 D C 1.211 177.474 176.300 -0.061 0.000 1.157 244 D CA 0.809 54.811 54.000 0.003 0.000 0.828 244 D CB 0.087 40.898 40.800 0.018 0.000 0.974 244 D HN 0.449 nan 8.370 nan 0.000 0.498 245 E N -0.474 119.721 120.200 -0.010 0.000 2.150 245 E HA -0.047 4.303 4.350 0.001 0.000 0.193 245 E C -0.478 175.828 176.600 -0.490 0.000 0.985 245 E CA 0.896 57.198 56.400 -0.164 0.000 0.814 245 E CB 0.169 29.878 29.700 0.014 0.000 0.752 245 E HN 0.254 nan 8.360 nan 0.000 0.466 246 W N -0.844 120.305 121.300 -0.253 0.000 2.785 246 W HA 0.420 5.080 4.660 0.001 0.000 0.333 246 W C 0.544 176.715 176.519 -0.581 0.000 1.062 246 W CA -0.597 56.471 57.345 -0.462 0.000 1.233 246 W CB 1.221 30.204 29.460 -0.796 0.000 1.413 246 W HN -0.003 nan 8.180 nan 0.000 0.489 247 H N 2.534 121.528 119.070 -0.127 0.000 2.755 247 H HA 0.262 4.819 4.556 0.001 0.000 0.273 247 H C -0.023 175.303 175.328 -0.003 0.000 1.055 247 H CA 0.257 56.304 56.048 -0.001 0.000 1.191 247 H CB 1.122 30.883 29.762 -0.003 0.000 1.536 247 H HN 0.318 nan 8.280 nan 0.000 0.529 248 I N -2.291 118.216 120.570 -0.106 0.000 2.545 248 I HA 0.478 4.648 4.170 0.001 0.000 0.292 248 I C -1.603 174.340 176.117 -0.290 0.000 1.040 248 I CA -1.140 60.136 61.300 -0.040 0.000 1.068 248 I CB 2.175 40.098 38.000 -0.129 0.000 1.251 248 I HN -0.269 nan 8.210 nan 0.000 0.424 249 Y N 4.532 124.981 120.300 0.247 0.000 2.442 249 Y HA 0.534 5.085 4.550 0.001 0.000 0.344 249 Y C -2.472 173.612 175.900 0.307 0.000 0.976 249 Y CA -2.377 55.809 58.100 0.142 0.000 1.040 249 Y CB 2.295 40.792 38.460 0.062 0.000 1.228 249 Y HN 0.443 nan 8.280 nan 0.000 0.451 250 P HA 0.150 nan 4.420 nan 0.000 0.271 250 P C -0.500 176.862 177.300 0.104 0.000 1.220 250 P CA 0.070 63.176 63.100 0.009 0.000 0.768 250 P CB 1.107 32.754 31.700 -0.088 0.000 0.848 251 A N 3.819 126.687 122.820 0.080 0.000 2.406 251 A HA -0.005 4.315 4.320 0.001 0.000 0.243 251 A C 1.200 178.857 177.584 0.121 0.000 1.082 251 A CA -0.279 51.831 52.037 0.122 0.000 0.786 251 A CB -0.464 18.594 19.000 0.097 0.000 1.029 251 A HN 0.688 nan 8.150 nan 0.000 0.495 252 Y N 0.370 120.691 120.300 0.035 0.000 2.114 252 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 252 Y C 1.692 177.604 175.900 0.021 0.000 1.165 252 Y CA 2.660 60.764 58.100 0.006 0.000 1.148 252 Y CB 0.021 38.486 38.460 0.009 0.000 0.972 252 Y HN 0.741 nan 8.280 nan 0.000 0.504 253 D N -0.624 119.884 120.400 0.180 0.000 2.351 253 D HA -0.168 4.473 4.640 0.001 0.000 0.216 253 D C 1.615 177.927 176.300 0.019 0.000 0.968 253 D CA 1.030 55.087 54.000 0.095 0.000 0.899 253 D CB -0.238 40.670 40.800 0.181 0.000 0.907 253 D HN 0.398 nan 8.370 nan 0.000 0.514 254 F N 1.812 121.633 119.950 -0.215 0.000 2.315 254 F HA -0.015 4.512 4.527 0.001 0.000 0.284 254 F C 2.175 177.695 175.800 -0.467 0.000 1.049 254 F CA 0.819 58.643 58.000 -0.293 0.000 1.323 254 F CB -0.173 38.641 39.000 -0.311 0.000 1.113 254 F HN -0.167 nan 8.300 nan 0.000 0.544 255 E N -1.082 118.728 120.200 -0.650 0.000 2.107 255 E HA -0.225 4.126 4.350 0.001 0.000 0.191 255 E C 1.996 178.150 176.600 -0.743 0.000 0.982 255 E CA 1.850 57.634 56.400 -1.026 0.000 0.809 255 E CB -1.051 28.183 29.700 -0.777 0.000 0.756 255 E HN 0.542 nan 8.360 nan 0.000 0.459 256 H N 1.707 120.346 119.070 -0.718 0.000 2.290 256 H HA 0.005 4.562 4.556 0.001 0.000 0.298 256 H C -0.755 174.208 175.328 -0.608 0.000 1.087 256 H CA 2.140 57.775 56.048 -0.689 0.000 1.291 256 H CB -1.094 28.035 29.762 -1.056 0.000 1.369 256 H HN 0.160 nan 8.280 nan 0.000 0.492 257 P HA -0.104 nan 4.420 nan 0.000 0.217 257 P C 1.736 178.459 177.300 -0.961 0.000 1.150 257 P CA 1.254 63.634 63.100 -1.201 0.000 0.832 257 P CB -0.002 30.949 31.700 -1.247 0.000 0.787 258 L N -1.034 119.700 121.223 -0.814 0.000 2.017 258 L HA -0.218 4.122 4.340 0.001 0.000 0.208 258 L C 2.676 179.201 176.870 -0.575 0.000 1.073 258 L CA 1.498 55.912 54.840 -0.710 0.000 0.745 258 L CB -0.895 40.756 42.059 -0.679 0.000 0.894 258 L HN -0.028 nan 8.230 nan 0.000 0.432 259 Q N 0.383 119.874 119.800 -0.515 0.000 2.050 259 Q HA -0.224 4.116 4.340 0.001 0.000 0.202 259 Q C 1.759 177.428 176.000 -0.552 0.000 0.980 259 Q CA 1.849 57.392 55.803 -0.435 0.000 0.840 259 Q CB -0.224 28.309 28.738 -0.342 0.000 0.898 259 Q HN 0.348 nan 8.270 nan 0.000 0.424 260 D N -0.421 119.620 120.400 -0.597 0.000 2.116 260 D HA -0.174 4.466 4.640 0.001 0.000 0.193 260 D C 1.612 177.576 176.300 -0.560 0.000 0.998 260 D CA 1.736 55.413 54.000 -0.538 0.000 0.836 260 D CB -0.416 40.087 40.800 -0.497 0.000 0.951 260 D HN 0.396 nan 8.370 nan 0.000 0.449 261 A N 0.577 122.955 122.820 -0.737 0.000 1.877 261 A HA -0.140 4.181 4.320 0.001 0.000 0.216 261 A C 2.429 179.626 177.584 -0.645 0.000 1.186 261 A CA 1.015 52.495 52.037 -0.929 0.000 0.620 261 A CB -0.740 17.112 19.000 -1.913 0.000 0.822 261 A HN 0.232 nan 8.150 nan 0.000 0.443 262 I N -0.575 119.683 120.570 -0.521 0.000 2.286 262 I HA -0.237 3.933 4.170 0.001 0.000 0.248 262 I C 2.279 178.194 176.117 -0.336 0.000 1.115 262 I CA 1.516 62.637 61.300 -0.299 0.000 1.392 262 I CB -0.353 37.455 38.000 -0.319 0.000 1.065 262 I HN 0.405 nan 8.210 nan 0.000 0.418 263 E N 0.377 120.288 120.200 -0.482 0.000 2.427 263 E HA 0.003 4.354 4.350 0.001 0.000 0.196 263 E C 1.424 177.835 176.600 -0.315 0.000 1.028 263 E CA 0.566 56.664 56.400 -0.503 0.000 0.864 263 E CB 0.153 29.409 29.700 -0.740 0.000 0.813 263 E HN 0.587 nan 8.360 nan 0.000 0.514 264 G N 1.054 109.686 108.800 -0.279 0.000 2.132 264 G HA2 -0.263 3.698 3.960 0.001 0.000 0.234 264 G HA3 -0.263 3.698 3.960 0.001 0.000 0.234 264 G C 0.343 175.112 174.900 -0.219 0.000 0.989 264 G CA 0.109 45.092 45.100 -0.194 0.000 0.676 264 G HN 0.154 nan 8.290 nan 0.000 0.522 265 V N 1.226 120.977 119.914 -0.273 0.000 2.694 265 V HA 0.318 4.439 4.120 0.001 0.000 0.306 265 V C 1.956 177.888 176.094 -0.269 0.000 1.054 265 V CA 1.614 63.769 62.300 -0.242 0.000 1.161 265 V CB 1.137 32.814 31.823 -0.244 0.000 0.916 265 V HN 0.824 nan 8.190 nan 0.000 0.490 266 T N 1.196 115.565 114.554 -0.308 0.000 3.046 266 T HA 0.115 4.466 4.350 0.001 0.000 0.242 266 T C 0.447 174.798 174.700 -0.583 0.000 1.018 266 T CA 0.163 61.876 62.100 -0.645 0.000 1.131 266 T CB 0.040 68.278 68.868 -1.050 0.000 0.904 266 T HN 0.657 nan 8.240 nan 0.000 0.459 267 H N 1.331 120.305 119.070 -0.161 0.000 2.685 267 H HA 0.693 5.249 4.556 0.001 0.000 0.307 267 H C -0.882 174.476 175.328 0.050 0.000 1.017 267 H CA -0.630 55.440 56.048 0.036 0.000 1.237 267 H CB 1.384 31.152 29.762 0.010 0.000 1.409 267 H HN 0.206 nan 8.280 nan 0.000 0.488 268 S N 4.116 119.874 115.700 0.096 0.000 2.430 268 S HA 0.415 4.886 4.470 0.001 0.000 0.289 268 S C -0.299 174.405 174.600 0.173 0.000 1.143 268 S CA -0.673 57.567 58.200 0.067 0.000 1.067 268 S CB -0.125 63.038 63.200 -0.062 0.000 0.964 268 S HN 0.515 nan 8.310 nan 0.000 0.485 269 M N 5.349 125.105 119.600 0.260 0.000 2.205 269 M HA 0.500 4.980 4.480 0.001 0.000 0.344 269 M C -0.263 176.305 176.300 0.446 0.000 1.085 269 M CA -0.586 54.972 55.300 0.430 0.000 1.001 269 M CB 1.278 34.152 32.600 0.456 0.000 1.626 269 M HN 0.839 nan 8.290 nan 0.000 0.442 270 C N -0.293 119.170 119.300 0.272 0.000 3.318 270 C HA 0.942 5.403 4.460 0.001 0.000 0.329 270 C C 0.300 175.036 174.990 -0.424 0.000 1.449 270 C CA -1.005 58.016 59.018 0.005 0.000 1.397 270 C CB 1.398 29.128 27.740 -0.017 0.000 1.810 270 C HN 0.924 nan 8.230 nan 0.000 0.449 271 S N 0.220 115.787 115.700 -0.222 0.000 2.669 271 S HA 0.436 4.906 4.470 0.001 0.000 0.270 271 S C 0.819 175.388 174.600 -0.053 0.000 1.225 271 S CA -0.653 57.372 58.200 -0.292 0.000 0.991 271 S CB 0.314 63.472 63.200 -0.070 0.000 0.987 271 S HN 0.816 nan 8.310 nan 0.000 0.552 272 L N 0.745 121.911 121.223 -0.094 0.000 2.189 272 L HA -0.163 4.178 4.340 0.001 0.000 0.214 272 L C 2.617 179.433 176.870 -0.090 0.000 1.097 272 L CA 1.600 56.409 54.840 -0.052 0.000 0.764 272 L CB -0.815 41.212 42.059 -0.053 0.000 0.900 272 L HN 0.807 nan 8.230 nan 0.000 0.436 273 E N -0.296 119.790 120.200 -0.189 0.000 2.331 273 E HA -0.210 4.141 4.350 0.001 0.000 0.199 273 E C 1.066 177.327 176.600 -0.564 0.000 1.008 273 E CA 1.068 57.218 56.400 -0.416 0.000 0.843 273 E CB -0.131 29.194 29.700 -0.624 0.000 0.761 273 E HN 0.508 nan 8.360 nan 0.000 0.507 274 F N -0.248 119.669 119.950 -0.056 0.000 2.668 274 F HA 0.102 4.630 4.527 0.001 0.000 0.297 274 F C 1.585 177.388 175.800 0.005 0.000 1.124 274 F CA -0.332 57.661 58.000 -0.012 0.000 1.353 274 F CB 0.230 39.246 39.000 0.026 0.000 0.992 274 F HN -0.184 nan 8.300 nan 0.000 0.524 275 V N 0.413 120.369 119.914 0.070 0.000 2.220 275 V HA -0.318 3.803 4.120 0.001 0.000 0.246 275 V C 1.972 178.101 176.094 0.058 0.000 1.049 275 V CA 2.271 64.602 62.300 0.052 0.000 1.003 275 V CB -0.262 31.567 31.823 0.009 0.000 0.634 275 V HN 0.276 nan 8.190 nan 0.000 0.444 276 D N 0.038 120.458 120.400 0.034 0.000 2.221 276 D HA -0.151 4.489 4.640 0.001 0.000 0.204 276 D C 1.930 178.281 176.300 0.083 0.000 0.982 276 D CA 1.072 55.095 54.000 0.039 0.000 0.857 276 D CB -0.536 40.269 40.800 0.009 0.000 0.934 276 D HN 0.541 nan 8.370 nan 0.000 0.475 277 N N 0.740 119.524 118.700 0.141 0.000 2.381 277 N HA -0.129 4.612 4.740 0.001 0.000 0.182 277 N C 1.788 177.426 175.510 0.213 0.000 1.025 277 N CA 0.173 53.353 53.050 0.218 0.000 0.888 277 N CB 0.014 38.735 38.487 0.391 0.000 0.965 277 N HN 0.232 nan 8.380 nan 0.000 0.438 278 R N 1.326 121.919 120.500 0.154 0.000 2.152 278 R HA -0.056 4.285 4.340 0.001 0.000 0.232 278 R C 2.062 178.450 176.300 0.148 0.000 1.117 278 R CA 1.039 57.205 56.100 0.109 0.000 0.981 278 R CB -0.019 30.290 30.300 0.015 0.000 0.870 278 R HN 0.133 nan 8.270 nan 0.000 0.451 279 A N 0.770 123.667 122.820 0.129 0.000 1.930 279 A HA -0.107 4.214 4.320 0.001 0.000 0.217 279 A C 2.031 179.729 177.584 0.190 0.000 1.175 279 A CA 1.139 53.256 52.037 0.133 0.000 0.627 279 A CB -0.304 18.746 19.000 0.083 0.000 0.815 279 A HN 0.328 nan 8.150 nan 0.000 0.443 280 I N -2.376 118.301 120.570 0.179 0.000 2.286 280 I HA -0.203 3.967 4.170 0.001 0.000 0.245 280 I C 2.417 178.702 176.117 0.279 0.000 1.104 280 I CA 1.365 62.786 61.300 0.203 0.000 1.397 280 I CB -0.425 37.653 38.000 0.130 0.000 1.072 280 I HN 0.505 nan 8.210 nan 0.000 0.417 281 Y N 2.073 122.432 120.300 0.098 0.000 2.128 281 Y HA -0.341 4.209 4.550 0.001 0.000 0.284 281 Y C 2.297 178.203 175.900 0.010 0.000 1.154 281 Y CA 1.902 60.011 58.100 0.015 0.000 1.149 281 Y CB -0.028 38.417 38.460 -0.026 0.000 0.976 281 Y HN 0.190 nan 8.280 nan 0.000 0.505 282 D N -0.787 119.805 120.400 0.321 0.000 2.097 282 D HA -0.226 4.414 4.640 0.001 0.000 0.197 282 D C 1.717 178.122 176.300 0.175 0.000 0.984 282 D CA 1.387 55.509 54.000 0.202 0.000 0.826 282 D CB -0.999 39.902 40.800 0.169 0.000 0.973 282 D HN 0.580 nan 8.370 nan 0.000 0.460 283 W N 1.731 123.057 121.300 0.044 0.000 2.321 283 W HA -0.175 4.486 4.660 0.001 0.000 0.306 283 W C 2.059 178.583 176.519 0.008 0.000 1.217 283 W CA 1.304 58.666 57.345 0.027 0.000 1.257 283 W CB -0.414 29.065 29.460 0.032 0.000 1.145 283 W HN -0.081 nan 8.180 nan 0.000 0.509 284 L N -0.235 121.098 121.223 0.184 0.000 2.027 284 L HA -0.287 4.054 4.340 0.001 0.000 0.206 284 L C 2.608 179.393 176.870 -0.143 0.000 1.074 284 L CA 1.150 55.970 54.840 -0.034 0.000 0.745 284 L CB -0.839 41.261 42.059 0.068 0.000 0.898 284 L HN 0.005 nan 8.230 nan 0.000 0.433 285 M N -0.547 118.988 119.600 -0.108 0.000 2.202 285 M HA -0.205 4.275 4.480 0.001 0.000 0.262 285 M C 2.048 178.317 176.300 -0.052 0.000 1.063 285 M CA 1.706 56.985 55.300 -0.034 0.000 1.097 285 M CB -0.981 31.558 32.600 -0.102 0.000 1.382 285 M HN 0.306 nan 8.290 nan 0.000 0.413 286 E N -0.317 119.799 120.200 -0.140 0.000 2.033 286 E HA -0.115 4.236 4.350 0.001 0.000 0.189 286 E C 2.043 178.473 176.600 -0.283 0.000 0.979 286 E CA 0.578 56.873 56.400 -0.176 0.000 0.802 286 E CB 0.020 29.630 29.700 -0.151 0.000 0.763 286 E HN 0.236 nan 8.360 nan 0.000 0.449 287 K N 0.720 120.824 120.400 -0.493 0.000 2.211 287 K HA -0.099 4.221 4.320 0.001 0.000 0.204 287 K C 1.849 178.236 176.600 -0.355 0.000 1.047 287 K CA 0.916 56.883 56.287 -0.533 0.000 0.935 287 K CB -0.135 31.785 32.500 -0.966 0.000 0.728 287 K HN 0.208 nan 8.250 nan 0.000 0.452 288 L N 0.256 121.279 121.223 -0.333 0.000 2.607 288 L HA 0.074 4.414 4.340 0.001 0.000 0.228 288 L C -0.483 176.099 176.870 -0.479 0.000 1.123 288 L CA -0.081 54.530 54.840 -0.382 0.000 0.890 288 L CB -0.547 41.228 42.059 -0.473 0.000 1.103 288 L HN 0.274 nan 8.230 nan 0.000 0.468 289 N N -0.781 117.737 118.700 -0.303 0.000 2.721 289 N HA -0.239 4.501 4.740 0.001 0.000 0.249 289 N C -0.412 174.973 175.510 -0.208 0.000 1.072 289 N CA 0.170 53.087 53.050 -0.221 0.000 0.710 289 N CB -1.563 36.812 38.487 -0.187 0.000 0.993 289 N HN 0.170 nan 8.380 nan 0.000 0.547 290 F N 1.084 120.952 119.950 -0.136 0.000 2.543 290 F HA 0.162 4.689 4.527 0.001 0.000 0.375 290 F C 0.935 176.684 175.800 -0.085 0.000 1.075 290 F CA 0.143 58.071 58.000 -0.121 0.000 1.225 290 F CB 0.555 39.447 39.000 -0.181 0.000 1.099 290 F HN 0.040 nan 8.300 nan 0.000 0.561 291 D N 5.236 125.715 120.400 0.131 0.000 2.613 291 D HA 0.297 4.937 4.640 0.001 0.000 0.230 291 D C -2.510 173.837 176.300 0.079 0.000 1.365 291 D CA -1.400 52.644 54.000 0.073 0.000 0.976 291 D CB 1.554 42.369 40.800 0.025 0.000 1.415 291 D HN 0.206 nan 8.370 nan 0.000 0.589 292 P HA 0.435 nan 4.420 nan 0.000 0.272 292 P C -0.630 176.737 177.300 0.111 0.000 1.230 292 P CA -0.324 62.837 63.100 0.101 0.000 0.788 292 P CB 0.532 32.331 31.700 0.166 0.000 0.949 293 R N 0.476 121.040 120.500 0.106 0.000 2.744 293 R HA 0.662 5.003 4.340 0.001 0.000 0.279 293 R C -2.841 173.440 176.300 -0.032 0.000 0.977 293 R CA -1.975 54.116 56.100 -0.015 0.000 0.906 293 R CB 1.206 31.467 30.300 -0.065 0.000 1.197 293 R HN 0.222 nan 8.270 nan 0.000 0.463 294 P HA 0.181 nan 4.420 nan 0.000 0.276 294 P C -1.015 176.152 177.300 -0.222 0.000 1.252 294 P CA -0.211 62.798 63.100 -0.153 0.000 0.802 294 P CB 0.860 32.457 31.700 -0.173 0.000 1.035 295 H N -0.284 118.709 119.070 -0.128 0.000 2.768 295 H HA 0.262 4.819 4.556 0.001 0.000 0.371 295 H C -0.402 174.605 175.328 -0.535 0.000 1.151 295 H CA -0.404 55.467 56.048 -0.294 0.000 1.165 295 H CB 2.477 32.075 29.762 -0.273 0.000 1.722 295 H HN 0.463 nan 8.280 nan 0.000 0.543 296 Q N 2.671 122.056 119.800 -0.690 0.000 2.271 296 Q HA 0.341 4.682 4.340 0.001 0.000 0.258 296 Q C -1.646 174.006 176.000 -0.580 0.000 0.936 296 Q CA -0.652 54.774 55.803 -0.629 0.000 0.909 296 Q CB 0.881 29.108 28.738 -0.851 0.000 1.253 296 Q HN 0.518 nan 8.270 nan 0.000 0.440 297 Y N 1.942 122.281 120.300 0.065 0.000 2.361 297 Y HA 0.321 4.872 4.550 0.001 0.000 0.337 297 Y C -0.914 175.157 175.900 0.285 0.000 0.965 297 Y CA -1.023 57.201 58.100 0.206 0.000 1.091 297 Y CB 2.007 40.606 38.460 0.232 0.000 1.182 297 Y HN 0.631 nan 8.280 nan 0.000 0.450 298 E N 3.886 124.333 120.200 0.411 0.000 2.175 298 E HA 0.472 4.823 4.350 0.001 0.000 0.278 298 E C -1.187 175.671 176.600 0.429 0.000 0.969 298 E CA -0.652 55.904 56.400 0.261 0.000 0.796 298 E CB 1.023 30.791 29.700 0.113 0.000 1.104 298 E HN 0.401 nan 8.360 nan 0.000 0.395 299 F N -0.479 119.714 119.950 0.405 0.000 2.538 299 F HA 0.793 5.320 4.527 0.001 0.000 0.325 299 F C 0.743 176.714 175.800 0.285 0.000 1.066 299 F CA -1.729 56.537 58.000 0.442 0.000 0.946 299 F CB 0.724 40.025 39.000 0.501 0.000 1.199 299 F HN 0.420 nan 8.300 nan 0.000 0.473 300 G N 1.797 110.796 108.800 0.331 0.000 2.491 300 G HA2 0.305 4.265 3.960 0.001 0.000 0.238 300 G HA3 0.305 4.265 3.960 0.001 0.000 0.238 300 G C -0.181 174.836 174.900 0.196 0.000 1.277 300 G CA -0.884 44.314 45.100 0.163 0.000 0.851 300 G HN 0.786 nan 8.290 nan 0.000 0.573 301 R N 0.463 121.009 120.500 0.077 0.000 2.679 301 R HA 0.290 4.630 4.340 0.001 0.000 0.269 301 R C -0.039 176.253 176.300 -0.013 0.000 1.076 301 R CA -0.185 55.961 56.100 0.077 0.000 1.160 301 R CB 0.615 30.934 30.300 0.033 0.000 1.054 301 R HN 0.309 nan 8.270 nan 0.000 0.507 302 R N 1.118 121.577 120.500 -0.068 0.000 2.629 302 R HA 0.180 4.521 4.340 0.001 0.000 0.277 302 R C -0.455 175.800 176.300 -0.076 0.000 1.637 302 R CA -0.402 55.578 56.100 -0.201 0.000 1.663 302 R CB 1.540 31.456 30.300 -0.641 0.000 1.228 302 R HN 0.834 nan 8.270 nan 0.000 0.632 303 G N 1.350 110.135 108.800 -0.025 0.000 2.398 303 G HA2 0.187 4.148 3.960 0.001 0.000 0.246 303 G HA3 0.187 4.148 3.960 0.001 0.000 0.246 303 G C -0.273 174.639 174.900 0.019 0.000 1.289 303 G CA -0.342 44.759 45.100 0.003 0.000 0.869 303 G HN 0.289 nan 8.290 nan 0.000 0.543 304 L N 1.802 123.041 121.223 0.026 0.000 2.331 304 L HA 0.319 4.660 4.340 0.001 0.000 0.278 304 L C 0.769 177.643 176.870 0.008 0.000 1.106 304 L CA -0.291 54.572 54.840 0.039 0.000 0.824 304 L CB 0.734 42.797 42.059 0.007 0.000 1.142 304 L HN 0.641 nan 8.230 nan 0.000 0.443 305 E N 3.818 124.034 120.200 0.027 0.000 2.392 305 E HA 0.037 4.388 4.350 0.001 0.000 0.256 305 E C -0.464 176.194 176.600 0.097 0.000 1.145 305 E CA -0.111 56.277 56.400 -0.020 0.000 0.929 305 E CB 0.184 29.876 29.700 -0.013 0.000 0.998 305 E HN 0.614 nan 8.360 nan 0.000 0.442 306 Y N -1.586 118.577 120.300 -0.229 0.000 4.705 306 Y HA -0.264 4.286 4.550 0.001 0.000 0.226 306 Y C 0.070 175.935 175.900 -0.058 0.000 1.039 306 Y CA 1.086 59.087 58.100 -0.166 0.000 1.968 306 Y CB -2.035 36.291 38.460 -0.223 0.000 1.614 306 Y HN 0.316 nan 8.280 nan 0.000 0.619 307 T N 0.912 115.469 114.554 0.005 0.000 2.861 307 T HA 0.752 5.102 4.350 0.001 0.000 0.287 307 T C -0.103 174.520 174.700 -0.129 0.000 1.003 307 T CA -0.609 61.493 62.100 0.003 0.000 0.977 307 T CB 1.932 70.781 68.868 -0.032 0.000 0.996 307 T HN 0.069 nan 8.240 nan 0.000 0.448 308 I N 2.651 123.148 120.570 -0.123 0.000 2.406 308 I HA 0.322 4.493 4.170 0.001 0.000 0.290 308 I C 1.107 177.115 176.117 -0.182 0.000 0.999 308 I CA -0.655 60.509 61.300 -0.227 0.000 1.124 308 I CB 2.246 40.024 38.000 -0.371 0.000 1.289 308 I HN 0.840 nan 8.210 nan 0.000 0.441 309 T N -0.360 114.035 114.554 -0.264 0.000 3.040 309 T HA 0.061 4.411 4.350 0.001 0.000 0.266 309 T C 0.801 175.349 174.700 -0.253 0.000 1.005 309 T CA -0.280 61.564 62.100 -0.427 0.000 0.906 309 T CB 0.195 68.531 68.868 -0.885 0.000 1.082 309 T HN 0.459 nan 8.240 nan 0.000 0.531 310 S N 1.619 117.216 115.700 -0.172 0.000 2.575 310 S HA 0.098 4.568 4.470 0.001 0.000 0.295 310 S C 1.409 176.002 174.600 -0.012 0.000 1.267 310 S CA -0.313 57.830 58.200 -0.096 0.000 1.074 310 S CB 0.817 63.925 63.200 -0.154 0.000 0.829 310 S HN 0.535 nan 8.310 nan 0.000 0.497 311 K N 4.592 125.032 120.400 0.065 0.000 2.026 311 K HA -0.161 4.159 4.320 0.001 0.000 0.208 311 K C 2.425 179.144 176.600 0.197 0.000 1.048 311 K CA 1.621 58.016 56.287 0.180 0.000 0.929 311 K CB -0.235 32.329 32.500 0.106 0.000 0.713 311 K HN 0.876 nan 8.250 nan 0.000 0.439 312 R N 0.674 121.233 120.500 0.097 0.000 2.096 312 R HA -0.139 4.201 4.340 0.001 0.000 0.235 312 R C 1.770 178.112 176.300 0.070 0.000 1.127 312 R CA 1.555 57.713 56.100 0.097 0.000 0.968 312 R CB -0.296 30.038 30.300 0.057 0.000 0.861 312 R HN 0.110 nan 8.270 nan 0.000 0.440 313 K N 0.875 121.242 120.400 -0.054 0.000 2.103 313 K HA 0.028 4.349 4.320 0.001 0.000 0.204 313 K C 2.221 178.792 176.600 -0.050 0.000 1.052 313 K CA 1.118 57.275 56.287 -0.217 0.000 0.945 313 K CB -0.100 31.929 32.500 -0.786 0.000 0.722 313 K HN 0.191 nan 8.250 nan 0.000 0.443 314 L N 0.654 121.863 121.223 -0.024 0.000 2.141 314 L HA -0.096 4.244 4.340 0.001 0.000 0.209 314 L C 2.689 179.426 176.870 -0.220 0.000 1.094 314 L CA 0.870 55.666 54.840 -0.073 0.000 0.763 314 L CB -0.346 41.705 42.059 -0.014 0.000 0.908 314 L HN 0.173 nan 8.230 nan 0.000 0.437 315 R N 0.156 120.669 120.500 0.023 0.000 2.092 315 R HA -0.151 4.190 4.340 0.001 0.000 0.231 315 R C 2.183 178.510 176.300 0.045 0.000 1.119 315 R CA 1.120 57.276 56.100 0.093 0.000 0.970 315 R CB 0.059 30.563 30.300 0.340 0.000 0.864 315 R HN 0.286 nan 8.270 nan 0.000 0.440 316 E N 0.797 121.065 120.200 0.114 0.000 2.077 316 E HA -0.191 4.159 4.350 0.001 0.000 0.193 316 E C 2.087 178.741 176.600 0.090 0.000 0.989 316 E CA 0.993 57.477 56.400 0.140 0.000 0.800 316 E CB -0.200 29.655 29.700 0.258 0.000 0.746 316 E HN 0.394 nan 8.360 nan 0.000 0.452 317 L N 0.245 121.524 121.223 0.093 0.000 2.083 317 L HA -0.167 4.174 4.340 0.001 0.000 0.209 317 L C 2.519 179.342 176.870 -0.078 0.000 1.083 317 L CA 0.747 55.604 54.840 0.028 0.000 0.752 317 L CB -0.461 41.623 42.059 0.042 0.000 0.899 317 L HN 0.001 nan 8.230 nan 0.000 0.433 318 V N -0.824 118.981 119.914 -0.182 0.000 2.307 318 V HA -0.236 3.884 4.120 0.001 0.000 0.245 318 V C 2.547 178.599 176.094 -0.071 0.000 1.045 318 V CA 1.432 63.604 62.300 -0.213 0.000 1.024 318 V CB -0.517 31.052 31.823 -0.422 0.000 0.651 318 V HN 0.453 nan 8.190 nan 0.000 0.449 319 Q N 0.199 119.988 119.800 -0.018 0.000 2.061 319 Q HA -0.169 4.172 4.340 0.001 0.000 0.204 319 Q C 2.285 178.294 176.000 0.015 0.000 0.984 319 Q CA 2.015 57.834 55.803 0.027 0.000 0.846 319 Q CB -0.524 28.248 28.738 0.057 0.000 0.902 319 Q HN 0.645 nan 8.270 nan 0.000 0.421 320 A N -0.213 122.611 122.820 0.007 0.000 2.235 320 A HA 0.249 4.570 4.320 0.001 0.000 0.208 320 A C 1.491 179.069 177.584 -0.011 0.000 1.172 320 A CA 0.980 53.017 52.037 -0.001 0.000 0.786 320 A CB -0.369 18.627 19.000 -0.006 0.000 0.804 320 A HN 0.482 nan 8.150 nan 0.000 0.479 321 G N -0.763 108.026 108.800 -0.018 0.000 2.153 321 G HA2 -0.299 3.662 3.960 0.001 0.000 0.252 321 G HA3 -0.299 3.662 3.960 0.001 0.000 0.252 321 G C 0.884 175.768 174.900 -0.026 0.000 0.994 321 G CA 0.541 45.628 45.100 -0.021 0.000 0.698 321 G HN 0.392 nan 8.290 nan 0.000 0.521 322 R N -0.891 119.588 120.500 -0.035 0.000 2.280 322 R HA 0.303 4.644 4.340 0.001 0.000 0.207 322 R C 0.928 177.202 176.300 -0.044 0.000 1.043 322 R CA 0.628 56.705 56.100 -0.039 0.000 1.006 322 R CB -0.138 30.134 30.300 -0.047 0.000 0.885 322 R HN 0.498 nan 8.270 nan 0.000 0.467 323 V N -0.257 119.624 119.914 -0.056 0.000 3.007 323 V HA 0.081 4.202 4.120 0.001 0.000 0.311 323 V C 1.107 177.169 176.094 -0.054 0.000 1.120 323 V CA -0.277 61.986 62.300 -0.062 0.000 0.980 323 V CB 2.277 34.031 31.823 -0.116 0.000 1.033 323 V HN 0.200 nan 8.190 nan 0.000 0.429 324 S N 1.735 117.418 115.700 -0.028 0.000 2.453 324 S HA 0.341 4.811 4.470 0.001 0.000 0.231 324 S C 0.679 175.263 174.600 -0.028 0.000 1.005 324 S CA 0.805 58.998 58.200 -0.012 0.000 0.949 324 S CB 0.127 63.339 63.200 0.019 0.000 0.774 324 S HN 1.795 nan 8.310 nan 0.000 0.510 325 G N -0.662 108.093 108.800 -0.075 0.000 2.323 325 G HA2 0.306 4.267 3.960 0.001 0.000 0.291 325 G HA3 0.306 4.267 3.960 0.001 0.000 0.291 325 G C -0.830 173.978 174.900 -0.153 0.000 1.278 325 G CA -0.482 44.567 45.100 -0.084 0.000 0.860 325 G HN 0.192 nan 8.290 nan 0.000 0.504 326 W N 1.022 122.298 121.300 -0.041 0.000 2.800 326 W HA 0.178 4.838 4.660 0.001 0.000 0.249 326 W C 1.742 178.154 176.519 -0.179 0.000 1.294 326 W CA 1.109 58.390 57.345 -0.106 0.000 1.402 326 W CB 0.462 29.789 29.460 -0.221 0.000 1.126 326 W HN 0.551 nan 8.180 nan 0.000 0.652 327 D N -0.906 119.505 120.400 0.020 0.000 2.501 327 D HA -0.043 4.597 4.640 0.001 0.000 0.226 327 D C -0.132 176.135 176.300 -0.054 0.000 1.198 327 D CA -0.037 53.938 54.000 -0.042 0.000 0.830 327 D CB -0.582 40.183 40.800 -0.059 0.000 1.014 327 D HN 0.024 nan 8.370 nan 0.000 0.496 328 D N 1.933 122.297 120.400 -0.059 0.000 2.417 328 D HA 0.016 4.657 4.640 0.001 0.000 0.250 328 D C -1.415 174.785 176.300 -0.167 0.000 1.166 328 D CA -1.506 52.444 54.000 -0.082 0.000 0.881 328 D CB 2.044 42.806 40.800 -0.065 0.000 1.164 328 D HN -0.118 nan 8.370 nan 0.000 0.467 329 P HA -0.180 nan 4.420 nan 0.000 0.218 329 P C 0.916 177.988 177.300 -0.379 0.000 1.147 329 P CA 1.341 64.150 63.100 -0.484 0.000 0.827 329 P CB 0.157 31.183 31.700 -1.122 0.000 0.778 330 R N -2.360 117.963 120.500 -0.294 0.000 2.276 330 R HA 0.101 4.442 4.340 0.001 0.000 0.203 330 R C 0.947 177.195 176.300 -0.087 0.000 1.017 330 R CA 0.287 56.305 56.100 -0.137 0.000 1.010 330 R CB -0.254 30.012 30.300 -0.056 0.000 0.900 330 R HN 0.255 nan 8.270 nan 0.000 0.469 331 M N 1.647 121.196 119.600 -0.085 0.000 2.241 331 M HA 0.105 4.585 4.480 0.001 0.000 0.335 331 M C -1.487 174.811 176.300 -0.003 0.000 1.122 331 M CA -1.878 53.402 55.300 -0.033 0.000 1.164 331 M CB 0.625 33.209 32.600 -0.027 0.000 1.459 331 M HN -0.171 nan 8.290 nan 0.000 0.461 332 P HA -0.008 nan 4.420 nan 0.000 0.245 332 P C 0.272 177.631 177.300 0.098 0.000 1.212 332 P CA 0.466 63.578 63.100 0.018 0.000 0.774 332 P CB -0.356 31.327 31.700 -0.029 0.000 0.999 333 T N -2.006 112.638 114.554 0.151 0.000 2.900 333 T HA 0.130 4.481 4.350 0.001 0.000 0.307 333 T C 1.573 176.342 174.700 0.115 0.000 1.065 333 T CA -0.449 61.779 62.100 0.214 0.000 1.105 333 T CB 0.574 69.572 68.868 0.216 0.000 0.979 333 T HN -0.122 nan 8.240 nan 0.000 0.544 334 L N 0.573 121.877 121.223 0.136 0.000 2.131 334 L HA -0.075 4.265 4.340 0.001 0.000 0.210 334 L C 3.169 179.947 176.870 -0.153 0.000 1.092 334 L CA 0.999 55.869 54.840 0.049 0.000 0.759 334 L CB -0.496 41.655 42.059 0.154 0.000 0.903 334 L HN 0.642 nan 8.230 nan 0.000 0.435 335 R N 0.349 120.788 120.500 -0.101 0.000 2.091 335 R HA -0.125 4.215 4.340 0.001 0.000 0.238 335 R C 2.326 178.533 176.300 -0.155 0.000 1.136 335 R CA 1.568 57.567 56.100 -0.168 0.000 0.959 335 R CB -0.813 29.396 30.300 -0.152 0.000 0.856 335 R HN 0.360 nan 8.270 nan 0.000 0.437 336 A N 1.208 123.972 122.820 -0.093 0.000 1.898 336 A HA -0.152 4.168 4.320 0.001 0.000 0.216 336 A C 2.102 179.627 177.584 -0.099 0.000 1.181 336 A CA 1.042 53.028 52.037 -0.086 0.000 0.620 336 A CB -0.217 18.749 19.000 -0.056 0.000 0.819 336 A HN 0.193 nan 8.150 nan 0.000 0.442 337 Q N -0.063 119.685 119.800 -0.087 0.000 2.119 337 Q HA -0.122 4.218 4.340 0.001 0.000 0.201 337 Q C 2.161 178.080 176.000 -0.135 0.000 0.972 337 Q CA 1.467 57.240 55.803 -0.050 0.000 0.847 337 Q CB -0.407 28.375 28.738 0.073 0.000 0.903 337 Q HN 0.722 nan 8.270 nan 0.000 0.433 338 R N 0.243 120.526 120.500 -0.363 0.000 2.075 338 R HA -0.057 4.284 4.340 0.001 0.000 0.232 338 R C 2.397 178.672 176.300 -0.043 0.000 1.126 338 R CA 1.246 57.071 56.100 -0.459 0.000 0.963 338 R CB -0.248 29.555 30.300 -0.830 0.000 0.858 338 R HN 0.136 nan 8.270 nan 0.000 0.435 339 R N 0.910 121.404 120.500 -0.010 0.000 2.115 339 R HA -0.090 4.251 4.340 0.001 0.000 0.226 339 R C 2.147 178.607 176.300 0.267 0.000 1.100 339 R CA 0.826 57.024 56.100 0.164 0.000 0.980 339 R CB -0.183 30.138 30.300 0.036 0.000 0.875 339 R HN 0.120 nan 8.270 nan 0.000 0.445 340 L N -0.101 121.156 121.223 0.056 0.000 2.127 340 L HA 0.000 4.341 4.340 0.001 0.000 0.211 340 L C 1.205 178.070 176.870 -0.009 0.000 1.089 340 L CA 2.447 57.288 54.840 0.003 0.000 0.757 340 L CB -0.155 41.841 42.059 -0.105 0.000 0.899 340 L HN 0.503 nan 8.230 nan 0.000 0.434 341 G N -2.433 106.238 108.800 -0.214 0.000 2.205 341 G HA2 -0.182 3.778 3.960 0.001 0.000 0.180 341 G HA3 -0.182 3.778 3.960 0.001 0.000 0.180 341 G C 0.197 174.711 174.900 -0.644 0.000 1.004 341 G CA -0.045 44.447 45.100 -1.012 0.000 0.670 341 G HN 0.254 nan 8.290 nan 0.000 0.496 342 V N 2.604 122.357 119.914 -0.269 0.000 2.763 342 V HA 0.443 4.564 4.120 0.001 0.000 0.306 342 V C 1.397 177.502 176.094 0.020 0.000 1.059 342 V CA 0.878 63.103 62.300 -0.126 0.000 1.138 342 V CB 1.056 32.890 31.823 0.019 0.000 0.940 342 V HN 0.764 nan 8.190 nan 0.000 0.489 343 T N 3.606 118.127 114.554 -0.054 0.000 2.909 343 T HA 0.346 4.697 4.350 0.001 0.000 0.286 343 T C -1.409 173.222 174.700 -0.114 0.000 1.002 343 T CA -1.855 60.221 62.100 -0.040 0.000 1.074 343 T CB 1.668 70.463 68.868 -0.122 0.000 0.984 343 T HN 0.522 nan 8.240 nan 0.000 0.495 344 P HA -0.090 nan 4.420 nan 0.000 0.218 344 P C 1.022 178.115 177.300 -0.345 0.000 1.148 344 P CA 1.061 63.712 63.100 -0.749 0.000 0.822 344 P CB 0.219 31.246 31.700 -1.120 0.000 0.784 345 E N 0.484 120.540 120.200 -0.240 0.000 2.085 345 E HA -0.132 4.219 4.350 0.001 0.000 0.194 345 E C 2.292 178.836 176.600 -0.094 0.000 0.994 345 E CA 1.733 58.043 56.400 -0.150 0.000 0.801 345 E CB -1.225 28.400 29.700 -0.125 0.000 0.743 345 E HN 0.221 nan 8.360 nan 0.000 0.453 346 A N 0.245 123.010 122.820 -0.092 0.000 1.930 346 A HA -0.115 4.206 4.320 0.001 0.000 0.217 346 A C 2.438 180.049 177.584 0.044 0.000 1.175 346 A CA 1.237 53.239 52.037 -0.059 0.000 0.627 346 A CB -0.541 18.376 19.000 -0.139 0.000 0.815 346 A HN 0.151 nan 8.150 nan 0.000 0.443 347 V N 0.210 120.169 119.914 0.075 0.000 2.343 347 V HA -0.256 3.865 4.120 0.001 0.000 0.247 347 V C 2.602 178.839 176.094 0.239 0.000 1.051 347 V CA 2.140 64.595 62.300 0.258 0.000 1.036 347 V CB -0.844 31.121 31.823 0.235 0.000 0.654 347 V HN 0.516 nan 8.190 nan 0.000 0.451 348 R N 0.343 120.882 120.500 0.066 0.000 2.092 348 R HA -0.065 4.276 4.340 0.001 0.000 0.231 348 R C 2.388 178.718 176.300 0.049 0.000 1.119 348 R CA 1.388 57.506 56.100 0.031 0.000 0.970 348 R CB -0.563 29.710 30.300 -0.044 0.000 0.864 348 R HN 0.524 nan 8.270 nan 0.000 0.440 349 A N 0.720 123.575 122.820 0.058 0.000 2.067 349 A HA -0.154 4.166 4.320 0.001 0.000 0.219 349 A C 1.861 179.517 177.584 0.121 0.000 1.158 349 A CA 0.825 52.893 52.037 0.052 0.000 0.661 349 A CB -0.495 18.522 19.000 0.028 0.000 0.801 349 A HN 0.431 nan 8.150 nan 0.000 0.452 350 F N 0.620 120.604 119.950 0.057 0.000 2.118 350 F HA 0.116 4.643 4.527 0.001 0.000 0.293 350 F C 2.410 178.279 175.800 0.115 0.000 1.102 350 F CA 1.260 59.327 58.000 0.111 0.000 1.247 350 F CB -0.321 38.825 39.000 0.243 0.000 1.017 350 F HN 0.212 nan 8.300 nan 0.000 0.475 351 A N 0.925 123.650 122.820 -0.159 0.000 1.940 351 A HA -0.110 4.210 4.320 0.001 0.000 0.219 351 A C 2.349 179.863 177.584 -0.118 0.000 1.176 351 A CA 1.755 53.659 52.037 -0.222 0.000 0.631 351 A CB -1.576 17.418 19.000 -0.011 0.000 0.814 351 A HN 0.584 nan 8.150 nan 0.000 0.446 352 A N -0.788 121.989 122.820 -0.072 0.000 1.972 352 A HA -0.186 4.135 4.320 0.001 0.000 0.219 352 A C 2.031 179.585 177.584 -0.050 0.000 1.169 352 A CA 1.553 53.555 52.037 -0.059 0.000 0.635 352 A CB -0.477 18.494 19.000 -0.048 0.000 0.810 352 A HN 0.655 nan 8.150 nan 0.000 0.446 353 Q N -0.588 119.174 119.800 -0.063 0.000 2.436 353 Q HA 0.141 4.482 4.340 0.001 0.000 0.209 353 Q C -0.170 175.791 176.000 -0.065 0.000 0.965 353 Q CA 0.075 55.850 55.803 -0.046 0.000 0.910 353 Q CB -0.094 28.636 28.738 -0.014 0.000 0.980 353 Q HN 0.657 nan 8.270 nan 0.000 0.491 354 I N 1.300 121.806 120.570 -0.106 0.000 2.471 354 I HA 0.091 4.262 4.170 0.001 0.000 0.286 354 I C 0.837 176.972 176.117 0.028 0.000 1.079 354 I CA -0.518 60.718 61.300 -0.107 0.000 1.398 354 I CB 0.836 38.697 38.000 -0.231 0.000 1.403 354 I HN 0.004 nan 8.210 nan 0.000 0.530 355 G N 5.501 114.298 108.800 -0.004 0.000 2.527 355 G HA2 0.412 4.373 3.960 0.001 0.000 0.248 355 G HA3 0.412 4.373 3.960 0.001 0.000 0.248 355 G C -0.460 174.527 174.900 0.146 0.000 1.231 355 G CA -0.328 44.808 45.100 0.060 0.000 0.838 355 G HN 0.391 nan 8.290 nan 0.000 0.570 356 V N 1.663 121.702 119.914 0.208 0.000 2.370 356 V HA 0.669 4.789 4.120 0.001 0.000 0.283 356 V C 0.314 176.617 176.094 0.348 0.000 1.023 356 V CA -0.080 62.418 62.300 0.330 0.000 0.857 356 V CB 0.611 32.559 31.823 0.209 0.000 0.985 356 V HN 1.178 nan 8.190 nan 0.000 0.443 357 S N 4.614 120.547 115.700 0.387 0.000 2.752 357 S HA 0.553 5.023 4.470 0.001 0.000 0.284 357 S C -0.142 174.566 174.600 0.180 0.000 1.189 357 S CA -1.043 57.307 58.200 0.250 0.000 0.835 357 S CB 1.821 65.084 63.200 0.104 0.000 1.192 357 S HN 0.510 nan 8.310 nan 0.000 0.506 358 R N 0.195 120.635 120.500 -0.099 0.000 2.480 358 R HA 0.327 4.667 4.340 0.001 0.000 0.277 358 R C -0.480 175.796 176.300 -0.040 0.000 1.008 358 R CA 0.002 56.027 56.100 -0.126 0.000 1.090 358 R CB 0.216 30.321 30.300 -0.325 0.000 1.234 358 R HN 0.589 nan 8.270 nan 0.000 0.549 359 T N 0.672 115.228 114.554 0.003 0.000 2.841 359 T HA 0.264 4.615 4.350 0.001 0.000 0.283 359 T C -0.338 174.369 174.700 0.011 0.000 1.000 359 T CA -0.837 61.259 62.100 -0.006 0.000 0.977 359 T CB 1.652 70.512 68.868 -0.014 0.000 0.979 359 T HN 0.031 nan 8.240 nan 0.000 0.446 360 N N 3.054 121.749 118.700 -0.008 0.000 2.520 360 N HA 0.390 5.130 4.740 0.001 0.000 0.273 360 N C -0.003 175.492 175.510 -0.024 0.000 1.155 360 N CA -0.016 53.026 53.050 -0.013 0.000 0.967 360 N CB 0.830 39.300 38.487 -0.029 0.000 1.092 360 N HN 0.501 nan 8.380 nan 0.000 0.457 361 R N -0.499 119.982 120.500 -0.033 0.000 2.764 361 R HA 0.443 4.783 4.340 0.001 0.000 0.270 361 R C -0.421 175.859 176.300 -0.034 0.000 1.014 361 R CA -0.822 55.258 56.100 -0.033 0.000 0.904 361 R CB 1.468 31.747 30.300 -0.035 0.000 1.236 361 R HN 0.587 nan 8.270 nan 0.000 0.466 362 T N -1.962 112.590 114.554 -0.003 0.000 2.944 362 T HA 0.669 5.019 4.350 0.001 0.000 0.284 362 T C -0.223 174.488 174.700 0.019 0.000 1.010 362 T CA -0.687 61.428 62.100 0.024 0.000 1.025 362 T CB 1.570 70.499 68.868 0.103 0.000 1.079 362 T HN 0.164 nan 8.240 nan 0.000 0.516 363 V N 2.663 122.600 119.914 0.039 0.000 2.588 363 V HA 0.394 4.515 4.120 0.001 0.000 0.304 363 V C -0.464 175.691 176.094 0.102 0.000 1.042 363 V CA -1.062 61.280 62.300 0.070 0.000 0.877 363 V CB 1.786 33.670 31.823 0.101 0.000 0.996 363 V HN 1.121 nan 8.190 nan 0.000 0.425 364 D N 4.513 124.975 120.400 0.102 0.000 2.304 364 D HA 0.170 4.811 4.640 0.001 0.000 0.250 364 D C 1.268 177.622 176.300 0.091 0.000 1.107 364 D CA -0.491 53.567 54.000 0.095 0.000 0.885 364 D CB 1.676 42.525 40.800 0.082 0.000 1.192 364 D HN 0.517 nan 8.370 nan 0.000 0.436 365 I N -0.087 120.498 120.570 0.024 0.000 2.623 365 I HA -0.241 3.929 4.170 0.001 0.000 0.261 365 I C 2.225 178.327 176.117 -0.026 0.000 1.204 365 I CA 1.026 62.307 61.300 -0.032 0.000 1.444 365 I CB -0.632 37.270 38.000 -0.163 0.000 1.094 365 I HN 0.382 nan 8.210 nan 0.000 0.451 366 A N 1.628 124.427 122.820 -0.035 0.000 1.940 366 A HA -0.121 4.200 4.320 0.001 0.000 0.219 366 A C 2.456 180.062 177.584 0.037 0.000 1.176 366 A CA 2.124 54.149 52.037 -0.021 0.000 0.631 366 A CB -0.976 18.023 19.000 -0.001 0.000 0.814 366 A HN 0.335 nan 8.150 nan 0.000 0.446 367 V N -1.541 118.445 119.914 0.120 0.000 2.407 367 V HA -0.256 3.864 4.120 0.001 0.000 0.248 367 V C 2.310 178.554 176.094 0.249 0.000 1.055 367 V CA 2.042 64.467 62.300 0.209 0.000 1.049 367 V CB -1.014 30.994 31.823 0.309 0.000 0.662 367 V HN 0.715 nan 8.190 nan 0.000 0.455 368 Y N 1.381 121.643 120.300 -0.062 0.000 2.153 368 Y HA -0.158 4.392 4.550 0.001 0.000 0.289 368 Y C 2.539 178.297 175.900 -0.238 0.000 1.127 368 Y CA 1.823 59.649 58.100 -0.457 0.000 1.131 368 Y CB -0.373 37.560 38.460 -0.879 0.000 0.995 368 Y HN 0.339 nan 8.280 nan 0.000 0.505 369 E N 0.132 120.185 120.200 -0.245 0.000 2.070 369 E HA -0.280 4.070 4.350 0.001 0.000 0.197 369 E C 1.899 178.367 176.600 -0.220 0.000 1.004 369 E CA 1.754 57.987 56.400 -0.278 0.000 0.805 369 E CB -0.431 29.181 29.700 -0.147 0.000 0.744 369 E HN 0.660 nan 8.360 nan 0.000 0.451 370 N N 0.491 119.123 118.700 -0.113 0.000 2.166 370 N HA -0.134 4.607 4.740 0.001 0.000 0.186 370 N C 1.879 177.333 175.510 -0.093 0.000 1.019 370 N CA 0.716 53.724 53.050 -0.070 0.000 0.856 370 N CB -0.101 38.381 38.487 -0.010 0.000 0.993 370 N HN 0.106 nan 8.380 nan 0.000 0.426 371 A N 0.780 123.541 122.820 -0.098 0.000 1.933 371 A HA -0.086 4.234 4.320 0.001 0.000 0.218 371 A C 2.381 179.850 177.584 -0.192 0.000 1.175 371 A CA 1.092 53.078 52.037 -0.085 0.000 0.628 371 A CB -0.663 18.347 19.000 0.016 0.000 0.814 371 A HN 0.090 nan 8.150 nan 0.000 0.444 372 V N -0.073 119.639 119.914 -0.337 0.000 2.270 372 V HA -0.260 3.860 4.120 0.001 0.000 0.245 372 V C 2.625 178.517 176.094 -0.337 0.000 1.043 372 V CA 2.217 64.294 62.300 -0.372 0.000 1.014 372 V CB -0.826 30.708 31.823 -0.482 0.000 0.645 372 V HN 0.517 nan 8.190 nan 0.000 0.447 373 R N 0.013 120.339 120.500 -0.291 0.000 2.091 373 R HA -0.175 4.166 4.340 0.001 0.000 0.238 373 R C 2.087 178.233 176.300 -0.258 0.000 1.136 373 R CA 1.865 57.786 56.100 -0.298 0.000 0.959 373 R CB -0.471 29.766 30.300 -0.105 0.000 0.856 373 R HN 0.538 nan 8.270 nan 0.000 0.437 374 D N 0.133 120.445 120.400 -0.146 0.000 2.144 374 D HA -0.149 4.491 4.640 0.001 0.000 0.200 374 D C 1.403 177.669 176.300 -0.057 0.000 0.978 374 D CA 1.235 55.193 54.000 -0.070 0.000 0.833 374 D CB -0.331 40.455 40.800 -0.024 0.000 0.961 374 D HN 0.230 nan 8.370 nan 0.000 0.470 375 D N -0.201 120.133 120.400 -0.110 0.000 2.183 375 D HA -0.042 4.598 4.640 0.001 0.000 0.203 375 D C 1.989 178.223 176.300 -0.109 0.000 0.969 375 D CA 0.511 54.461 54.000 -0.084 0.000 0.842 375 D CB 0.031 40.760 40.800 -0.119 0.000 0.957 375 D HN 0.099 nan 8.370 nan 0.000 0.484 376 L N 0.197 121.261 121.223 -0.265 0.000 2.313 376 L HA -0.016 4.324 4.340 0.001 0.000 0.214 376 L C 2.292 179.075 176.870 -0.145 0.000 1.119 376 L CA 0.439 55.080 54.840 -0.332 0.000 0.809 376 L CB -0.603 40.952 42.059 -0.840 0.000 0.933 376 L HN 0.220 nan 8.230 nan 0.000 0.449 377 N N 0.018 118.640 118.700 -0.130 0.000 2.094 377 N HA -0.239 4.501 4.740 0.001 0.000 0.191 377 N C 1.571 177.057 175.510 -0.039 0.000 1.023 377 N CA 1.249 54.279 53.050 -0.033 0.000 0.857 377 N CB 0.059 38.439 38.487 -0.178 0.000 1.013 377 N HN 0.490 nan 8.380 nan 0.000 0.426 378 H N -0.837 118.284 119.070 0.086 0.000 2.551 378 H HA 0.198 4.754 4.556 0.001 0.000 0.271 378 H C 1.115 176.456 175.328 0.021 0.000 0.984 378 H CA 0.175 56.234 56.048 0.019 0.000 1.164 378 H CB 0.653 30.362 29.762 -0.088 0.000 1.437 378 H HN 0.281 nan 8.280 nan 0.000 0.550 379 R N 0.164 120.814 120.500 0.251 0.000 2.373 379 R HA 0.306 4.646 4.340 0.001 0.000 0.221 379 R C 0.377 176.916 176.300 0.399 0.000 0.893 379 R CA 0.021 56.275 56.100 0.256 0.000 1.049 379 R CB 1.156 31.508 30.300 0.085 0.000 1.119 379 R HN -0.046 nan 8.270 nan 0.000 0.535 380 A N 3.913 126.962 122.820 0.381 0.000 2.322 380 A HA 0.382 4.703 4.320 0.001 0.000 0.327 380 A C -2.361 175.161 177.584 -0.104 0.000 1.394 380 A CA -1.731 50.410 52.037 0.173 0.000 0.921 380 A CB 0.275 19.445 19.000 0.285 0.000 1.153 380 A HN -0.107 nan 8.150 nan 0.000 0.523 381 P HA 0.079 nan 4.420 nan 0.000 0.269 381 P C -0.692 176.423 177.300 -0.309 0.000 1.209 381 P CA -0.013 62.424 63.100 -1.105 0.000 0.776 381 P CB 0.620 31.611 31.700 -1.181 0.000 0.876 382 R N 1.694 122.058 120.500 -0.225 0.000 2.390 382 R HA 0.526 4.866 4.340 0.001 0.000 0.291 382 R C 0.035 176.376 176.300 0.069 0.000 1.070 382 R CA -0.710 55.371 56.100 -0.032 0.000 1.014 382 R CB 0.228 30.491 30.300 -0.061 0.000 1.007 382 R HN 0.325 nan 8.270 nan 0.000 0.466 383 V N 3.189 123.147 119.914 0.073 0.000 3.181 383 V HA 0.458 4.578 4.120 0.001 0.000 0.308 383 V C -0.364 175.626 176.094 -0.174 0.000 1.214 383 V CA -0.951 61.346 62.300 -0.006 0.000 1.053 383 V CB 2.884 34.751 31.823 0.073 0.000 1.069 383 V HN 0.640 nan 8.190 nan 0.000 0.441 384 M N 2.373 121.778 119.600 -0.324 0.000 2.268 384 M HA 0.817 5.297 4.480 0.001 0.000 0.344 384 M C -0.510 175.459 176.300 -0.552 0.000 1.106 384 M CA -0.491 54.557 55.300 -0.420 0.000 1.010 384 M CB 1.828 34.157 32.600 -0.451 0.000 1.649 384 M HN 0.741 nan 8.290 nan 0.000 0.443 385 A N 2.687 125.141 122.820 -0.610 0.000 2.520 385 A HA 0.779 5.099 4.320 0.001 0.000 0.298 385 A C -1.287 176.081 177.584 -0.360 0.000 1.051 385 A CA -0.671 50.960 52.037 -0.676 0.000 0.690 385 A CB 1.622 19.738 19.000 -1.472 0.000 1.281 385 A HN 0.572 nan 8.150 nan 0.000 0.402 386 V N 3.997 123.789 119.914 -0.203 0.000 2.357 386 V HA 0.260 4.380 4.120 0.001 0.000 0.284 386 V C 0.841 176.782 176.094 -0.255 0.000 1.018 386 V CA -0.281 61.954 62.300 -0.108 0.000 0.841 386 V CB 1.053 32.885 31.823 0.015 0.000 0.991 386 V HN 0.884 nan 8.190 nan 0.000 0.437 387 L N 1.580 122.566 121.223 -0.394 0.000 2.307 387 L HA 0.268 4.608 4.340 0.001 0.000 0.211 387 L C 0.693 177.464 176.870 -0.164 0.000 1.099 387 L CA 0.830 55.375 54.840 -0.492 0.000 0.816 387 L CB 0.099 41.814 42.059 -0.573 0.000 0.952 387 L HN 0.610 nan 8.230 nan 0.000 0.455 388 D N 1.107 121.450 120.400 -0.095 0.000 2.502 388 D HA 0.193 4.834 4.640 0.001 0.000 0.301 388 D C -2.411 173.874 176.300 -0.024 0.000 1.202 388 D CA -2.182 51.795 54.000 -0.038 0.000 0.878 388 D CB 0.988 41.777 40.800 -0.017 0.000 1.062 388 D HN -0.049 nan 8.370 nan 0.000 0.499 389 P HA 0.032 nan 4.420 nan 0.000 0.267 389 P C -0.467 176.842 177.300 0.014 0.000 1.205 389 P CA -0.211 62.856 63.100 -0.055 0.000 0.765 389 P CB 1.448 32.989 31.700 -0.266 0.000 0.828 390 V N 4.481 124.461 119.914 0.111 0.000 2.531 390 V HA 0.268 4.388 4.120 0.001 0.000 0.301 390 V C 0.569 176.802 176.094 0.233 0.000 1.034 390 V CA -0.890 61.493 62.300 0.138 0.000 0.865 390 V CB 1.783 33.645 31.823 0.065 0.000 0.995 390 V HN 0.500 nan 8.190 nan 0.000 0.424 391 K N 3.239 123.799 120.400 0.266 0.000 2.350 391 K HA 0.524 4.844 4.320 0.001 0.000 0.279 391 K C -0.659 175.945 176.600 0.006 0.000 1.027 391 K CA -0.107 56.268 56.287 0.146 0.000 0.969 391 K CB 1.221 33.794 32.500 0.121 0.000 0.954 391 K HN 0.626 nan 8.250 nan 0.000 0.474 392 V N 1.863 121.725 119.914 -0.086 0.000 2.623 392 V HA 0.429 4.550 4.120 0.001 0.000 0.304 392 V C -1.057 174.960 176.094 -0.128 0.000 1.054 392 V CA -0.432 61.805 62.300 -0.106 0.000 0.882 392 V CB 2.022 33.760 31.823 -0.142 0.000 1.002 392 V HN 0.761 nan 8.190 nan 0.000 0.424 393 T N 7.813 122.311 114.554 -0.093 0.000 2.749 393 T HA 0.533 4.883 4.350 0.001 0.000 0.287 393 T C -0.002 174.639 174.700 -0.099 0.000 0.970 393 T CA -0.217 61.823 62.100 -0.100 0.000 0.980 393 T CB 0.928 69.754 68.868 -0.070 0.000 0.924 393 T HN 0.684 nan 8.240 nan 0.000 0.456 394 L N 4.434 125.585 121.223 -0.119 0.000 2.356 394 L HA 0.184 4.524 4.340 0.001 0.000 0.282 394 L C 2.181 178.998 176.870 -0.089 0.000 1.132 394 L CA -0.566 54.205 54.840 -0.116 0.000 0.923 394 L CB -0.131 41.840 42.059 -0.147 0.000 1.278 394 L HN 0.871 nan 8.230 nan 0.000 0.436 395 T N -1.596 112.917 114.554 -0.069 0.000 2.778 395 T HA -0.202 4.149 4.350 0.001 0.000 0.269 395 T C 1.262 175.931 174.700 -0.053 0.000 1.050 395 T CA 1.591 63.658 62.100 -0.054 0.000 1.137 395 T CB -0.316 68.529 68.868 -0.039 0.000 0.860 395 T HN 0.660 nan 8.240 nan 0.000 0.468 396 N N 0.756 119.422 118.700 -0.056 0.000 2.295 396 N HA 0.197 4.937 4.740 0.001 0.000 0.221 396 N C -0.307 175.168 175.510 -0.058 0.000 1.129 396 N CA -0.422 52.597 53.050 -0.051 0.000 0.836 396 N CB -0.037 38.422 38.487 -0.046 0.000 1.040 396 N HN 0.431 nan 8.380 nan 0.000 0.494 397 L N 0.525 121.707 121.223 -0.068 0.000 2.298 397 L HA 0.520 4.860 4.340 0.001 0.000 0.284 397 L C -1.584 175.249 176.870 -0.063 0.000 1.013 397 L CA -0.328 54.469 54.840 -0.072 0.000 0.824 397 L CB 1.302 43.304 42.059 -0.095 0.000 1.221 397 L HN -0.078 nan 8.230 nan 0.000 0.418 398 D N 4.329 124.698 120.400 -0.052 0.000 2.549 398 D HA 0.754 5.395 4.640 0.001 0.000 0.251 398 D C -0.484 175.792 176.300 -0.041 0.000 1.153 398 D CA 0.380 54.353 54.000 -0.045 0.000 0.861 398 D CB 1.716 42.494 40.800 -0.037 0.000 1.207 398 D HN 0.944 nan 8.370 nan 0.000 0.543 399 G N 1.984 110.760 108.800 -0.040 0.000 3.421 399 G HA2 -0.160 3.801 3.960 0.001 0.000 0.686 399 G HA3 -0.160 3.801 3.960 0.001 0.000 0.686 399 G C -0.230 174.649 174.900 -0.035 0.000 1.056 399 G CA -0.907 44.173 45.100 -0.033 0.000 0.891 399 G HN 0.572 nan 8.290 nan 0.000 0.514 400 E N 1.322 121.504 120.200 -0.030 0.000 2.452 400 E HA 0.269 4.619 4.350 0.001 0.000 0.261 400 E C 0.408 176.999 176.600 -0.016 0.000 0.987 400 E CA 0.174 56.560 56.400 -0.024 0.000 0.926 400 E CB 0.464 30.156 29.700 -0.013 0.000 0.934 400 E HN 0.532 nan 8.360 nan 0.000 0.452 401 K N 2.508 122.900 120.400 -0.014 0.000 2.207 401 K HA 0.276 4.597 4.320 0.001 0.000 0.255 401 K C -1.300 175.310 176.600 0.017 0.000 0.941 401 K CA -0.588 55.696 56.287 -0.005 0.000 0.825 401 K CB 1.733 34.222 32.500 -0.018 0.000 1.119 401 K HN 0.394 nan 8.250 nan 0.000 0.430 402 T N 4.660 119.225 114.554 0.018 0.000 2.770 402 T HA 0.348 4.699 4.350 0.001 0.000 0.297 402 T C -0.265 174.452 174.700 0.029 0.000 0.997 402 T CA -0.570 61.546 62.100 0.027 0.000 0.949 402 T CB 0.193 69.071 68.868 0.017 0.000 0.941 402 T HN 0.364 nan 8.240 nan 0.000 0.457 403 L N 2.214 123.466 121.223 0.048 0.000 2.360 403 L HA 0.618 4.958 4.340 0.001 0.000 0.271 403 L C 0.670 177.547 176.870 0.010 0.000 1.057 403 L CA -0.780 54.086 54.840 0.044 0.000 0.803 403 L CB 1.504 43.619 42.059 0.093 0.000 1.207 403 L HN 0.496 nan 8.230 nan 0.000 0.445 404 S N 3.339 119.037 115.700 -0.003 0.000 2.577 404 S HA 0.585 5.055 4.470 0.001 0.000 0.294 404 S C -0.702 173.869 174.600 -0.048 0.000 1.161 404 S CA -0.622 57.558 58.200 -0.032 0.000 1.143 404 S CB -0.016 63.175 63.200 -0.016 0.000 0.991 404 S HN 0.411 nan 8.310 nan 0.000 0.475 405 L N 6.221 127.385 121.223 -0.098 0.000 2.325 405 L HA 0.616 4.957 4.340 0.001 0.000 0.278 405 L C -2.076 174.685 176.870 -0.182 0.000 1.023 405 L CA -2.573 52.202 54.840 -0.108 0.000 0.811 405 L CB 1.868 43.863 42.059 -0.106 0.000 1.249 405 L HN 0.429 nan 8.230 nan 0.000 0.431 406 P HA 0.014 nan 4.420 nan 0.000 0.271 406 P C -0.161 177.072 177.300 -0.110 0.000 1.216 406 P CA 0.022 63.085 63.100 -0.061 0.000 0.776 406 P CB 0.674 32.407 31.700 0.054 0.000 0.881 407 Y N 0.600 120.832 120.300 -0.113 0.000 2.314 407 Y HA -0.054 4.497 4.550 0.001 0.000 0.293 407 Y C 0.831 176.351 175.900 -0.633 0.000 1.129 407 Y CA 0.501 58.337 58.100 -0.440 0.000 1.201 407 Y CB 0.091 38.142 38.460 -0.681 0.000 0.999 407 Y HN 0.380 nan 8.280 nan 0.000 0.541 408 W N 0.357 121.788 121.300 0.217 0.000 2.666 408 W HA 0.460 5.120 4.660 0.001 0.000 0.334 408 W C -2.447 174.138 176.519 0.110 0.000 1.051 408 W CA -2.552 54.879 57.345 0.144 0.000 1.224 408 W CB 0.048 29.584 29.460 0.127 0.000 1.405 408 W HN -0.300 nan 8.180 nan 0.000 0.513 409 P HA 0.044 nan 4.420 nan 0.000 0.276 409 P C 0.562 178.009 177.300 0.244 0.000 1.244 409 P CA -0.129 63.105 63.100 0.224 0.000 0.801 409 P CB 0.900 32.699 31.700 0.164 0.000 1.006 410 H N 1.927 121.065 119.070 0.114 0.000 2.353 410 H HA -0.208 4.348 4.556 0.001 0.000 0.298 410 H C 1.111 176.489 175.328 0.083 0.000 1.103 410 H CA 2.647 58.751 56.048 0.093 0.000 1.293 410 H CB -0.577 29.225 29.762 0.067 0.000 1.372 410 H HN 0.556 nan 8.280 nan 0.000 0.501 411 D N -0.898 119.508 120.400 0.010 0.000 2.221 411 D HA -0.134 4.507 4.640 0.001 0.000 0.204 411 D C 2.047 178.331 176.300 -0.027 0.000 0.982 411 D CA 1.225 55.194 54.000 -0.052 0.000 0.857 411 D CB -0.411 40.400 40.800 0.019 0.000 0.934 411 D HN 0.307 nan 8.370 nan 0.000 0.475 412 V N 0.363 120.291 119.914 0.023 0.000 2.346 412 V HA -0.176 3.944 4.120 0.001 0.000 0.244 412 V C 2.589 178.691 176.094 0.014 0.000 1.037 412 V CA 0.932 63.263 62.300 0.051 0.000 1.029 412 V CB -0.219 31.674 31.823 0.117 0.000 0.663 412 V HN 0.203 nan 8.190 nan 0.000 0.454 413 V N 0.603 120.507 119.914 -0.016 0.000 2.287 413 V HA -0.305 3.816 4.120 0.001 0.000 0.248 413 V C 2.625 178.654 176.094 -0.107 0.000 1.053 413 V CA 2.576 64.842 62.300 -0.057 0.000 1.027 413 V CB -0.839 30.997 31.823 0.021 0.000 0.646 413 V HN 0.568 nan 8.190 nan 0.000 0.447 414 R N 0.519 120.892 120.500 -0.211 0.000 2.094 414 R HA -0.225 4.115 4.340 0.001 0.000 0.239 414 R C 1.548 177.788 176.300 -0.100 0.000 1.137 414 R CA 2.363 58.336 56.100 -0.211 0.000 0.943 414 R CB -0.488 29.617 30.300 -0.325 0.000 0.850 414 R HN 0.490 nan 8.270 nan 0.000 0.433 415 D N 0.822 121.190 120.400 -0.053 0.000 2.324 415 D HA -0.019 4.621 4.640 0.001 0.000 0.235 415 D C -0.018 176.231 176.300 -0.085 0.000 1.095 415 D CA 0.276 54.257 54.000 -0.032 0.000 0.871 415 D CB 0.228 41.065 40.800 0.061 0.000 0.906 415 D HN 0.119 nan 8.370 nan 0.000 0.522 416 S N 2.157 117.803 115.700 -0.090 0.000 2.516 416 S HA 0.077 4.547 4.470 0.001 0.000 0.282 416 S C -0.834 173.694 174.600 -0.119 0.000 1.286 416 S CA -1.190 56.933 58.200 -0.128 0.000 1.066 416 S CB 1.297 64.420 63.200 -0.128 0.000 0.884 416 S HN -0.006 nan 8.310 nan 0.000 0.491 417 P HA -0.087 nan 4.420 nan 0.000 0.217 417 P C 0.342 177.590 177.300 -0.086 0.000 1.150 417 P CA 1.208 64.241 63.100 -0.112 0.000 0.832 417 P CB -0.028 31.596 31.700 -0.126 0.000 0.787 418 D N -2.279 118.069 120.400 -0.087 0.000 2.440 418 D HA 0.159 4.800 4.640 0.001 0.000 0.216 418 D C 1.321 177.587 176.300 -0.057 0.000 1.150 418 D CA 0.089 54.050 54.000 -0.066 0.000 0.832 418 D CB -0.601 40.161 40.800 -0.064 0.000 0.992 418 D HN 0.229 nan 8.370 nan 0.000 0.502 419 G N 0.527 109.289 108.800 -0.063 0.000 2.175 419 G HA2 -0.290 3.670 3.960 0.001 0.000 0.265 419 G HA3 -0.290 3.670 3.960 0.001 0.000 0.265 419 G C 0.061 174.933 174.900 -0.046 0.000 0.979 419 G CA 0.899 45.970 45.100 -0.047 0.000 0.663 419 G HN 0.434 nan 8.290 nan 0.000 0.533 420 L N -1.694 119.488 121.223 -0.069 0.000 2.260 420 L HA 0.978 5.319 4.340 0.001 0.000 0.265 420 L C 0.199 176.987 176.870 -0.137 0.000 1.015 420 L CA -1.377 53.421 54.840 -0.069 0.000 0.826 420 L CB 2.048 44.075 42.059 -0.054 0.000 1.373 420 L HN 0.064 nan 8.230 nan 0.000 0.450 421 V N -1.014 118.812 119.914 -0.148 0.000 3.216 421 V HA 0.658 4.778 4.120 0.001 0.000 0.302 421 V C -0.362 175.610 176.094 -0.205 0.000 1.286 421 V CA -0.402 61.695 62.300 -0.338 0.000 1.048 421 V CB 2.311 33.837 31.823 -0.494 0.000 1.081 421 V HN 0.765 nan 8.190 nan 0.000 0.442 422 G N 2.487 111.096 108.800 -0.319 0.000 2.527 422 G HA2 0.509 4.469 3.960 0.001 0.000 0.248 422 G HA3 0.509 4.469 3.960 0.001 0.000 0.248 422 G C -0.715 174.418 174.900 0.390 0.000 1.231 422 G CA -0.143 45.002 45.100 0.074 0.000 0.838 422 G HN 0.788 nan 8.290 nan 0.000 0.570 423 M N 3.365 123.093 119.600 0.213 0.000 2.124 423 M HA 0.376 4.856 4.480 0.001 0.000 0.280 423 M C -2.388 173.938 176.300 0.043 0.000 0.954 423 M CA -2.584 52.806 55.300 0.150 0.000 0.958 423 M CB 2.379 35.081 32.600 0.170 0.000 1.611 423 M HN 0.243 nan 8.290 nan 0.000 0.449 424 P HA 0.158 nan 4.420 nan 0.000 0.260 424 P C 0.700 178.013 177.300 0.023 0.000 1.185 424 P CA 1.570 64.631 63.100 -0.065 0.000 0.763 424 P CB 0.456 32.065 31.700 -0.153 0.000 0.776 425 G N 2.655 111.475 108.800 0.035 0.000 3.206 425 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 425 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 425 G C 0.661 175.592 174.900 0.052 0.000 1.350 425 G CA 0.154 45.284 45.100 0.051 0.000 0.836 425 G HN 0.839 nan 8.290 nan 0.000 0.548 426 G N 0.115 108.952 108.800 0.061 0.000 2.468 426 G HA2 0.587 4.547 3.960 0.001 0.000 0.264 426 G HA3 0.587 4.547 3.960 0.001 0.000 0.264 426 G C 1.061 175.991 174.900 0.050 0.000 1.460 426 G CA 0.975 46.111 45.100 0.060 0.000 1.060 426 G HN 1.520 nan 8.290 nan 0.000 0.543 427 G N -1.341 107.488 108.800 0.047 0.000 3.374 427 G HA2 0.495 4.455 3.960 0.001 0.000 0.200 427 G HA3 0.495 4.455 3.960 0.001 0.000 0.200 427 G C -0.041 174.879 174.900 0.034 0.000 1.801 427 G CA -0.636 44.483 45.100 0.032 0.000 0.842 427 G HN 0.564 nan 8.290 nan 0.000 0.688 428 R N -0.499 120.012 120.500 0.018 0.000 2.664 428 R HA 0.639 4.979 4.340 0.001 0.000 0.286 428 R C -0.890 175.425 176.300 0.024 0.000 0.967 428 R CA -0.527 55.576 56.100 0.006 0.000 0.933 428 R CB 2.200 32.481 30.300 -0.032 0.000 1.146 428 R HN 0.527 nan 8.270 nan 0.000 0.468 429 V N -2.346 117.590 119.914 0.036 0.000 3.202 429 V HA 0.795 4.915 4.120 0.001 0.000 0.306 429 V C -0.498 175.624 176.094 0.047 0.000 1.283 429 V CA -1.330 61.002 62.300 0.052 0.000 1.065 429 V CB 1.638 33.515 31.823 0.091 0.000 1.079 429 V HN 0.895 nan 8.190 nan 0.000 0.448 430 A N 2.108 124.959 122.820 0.052 0.000 2.477 430 A HA 0.577 4.897 4.320 0.001 0.000 0.246 430 A C -0.798 176.837 177.584 0.085 0.000 1.078 430 A CA -0.531 51.537 52.037 0.051 0.000 0.770 430 A CB -0.270 18.759 19.000 0.048 0.000 1.011 430 A HN 0.893 nan 8.150 nan 0.000 0.494 431 P HA -0.256 nan 4.420 nan 0.000 0.218 431 P C 0.785 178.176 177.300 0.152 0.000 1.152 431 P CA 1.872 65.056 63.100 0.140 0.000 0.857 431 P CB 0.090 31.864 31.700 0.124 0.000 0.787 432 E N -0.270 119.995 120.200 0.109 0.000 2.160 432 E HA -0.177 4.173 4.350 0.001 0.000 0.195 432 E C 1.884 178.542 176.600 0.097 0.000 0.991 432 E CA 0.857 57.312 56.400 0.091 0.000 0.810 432 E CB -0.264 29.476 29.700 0.067 0.000 0.742 432 E HN 0.381 nan 8.360 nan 0.000 0.466 433 E N 0.255 120.522 120.200 0.112 0.000 2.299 433 E HA 0.027 4.377 4.350 0.001 0.000 0.193 433 E C 0.649 177.353 176.600 0.173 0.000 0.998 433 E CA 0.304 56.775 56.400 0.119 0.000 0.851 433 E CB 0.179 29.943 29.700 0.108 0.000 0.795 433 E HN 0.123 nan 8.360 nan 0.000 0.492 434 A N 2.223 125.186 122.820 0.239 0.000 3.026 434 A HA 0.335 4.655 4.320 0.001 0.000 0.272 434 A C 0.451 178.192 177.584 0.261 0.000 1.782 434 A CA -0.216 52.056 52.037 0.391 0.000 1.451 434 A CB -0.958 18.399 19.000 0.594 0.000 1.081 434 A HN 0.021 nan 8.150 nan 0.000 0.611 435 V N -0.980 118.986 119.914 0.087 0.000 3.181 435 V HA 1.013 5.133 4.120 0.001 0.000 0.308 435 V C -0.880 175.049 176.094 -0.275 0.000 1.214 435 V CA -1.427 60.770 62.300 -0.173 0.000 1.053 435 V CB 2.024 33.809 31.823 -0.063 0.000 1.069 435 V HN 0.855 nan 8.190 nan 0.000 0.441 436 R N -0.417 119.864 120.500 -0.365 0.000 2.710 436 R HA 0.671 5.012 4.340 0.001 0.000 0.270 436 R C -1.794 174.419 176.300 -0.146 0.000 1.021 436 R CA -0.688 55.272 56.100 -0.233 0.000 0.889 436 R CB 0.318 30.431 30.300 -0.312 0.000 1.243 436 R HN 0.590 nan 8.270 nan 0.000 0.464 437 D N 0.755 121.117 120.400 -0.065 0.000 2.348 437 D HA 0.306 4.946 4.640 0.001 0.000 0.253 437 D C -0.622 175.653 176.300 -0.042 0.000 1.161 437 D CA -0.030 53.949 54.000 -0.035 0.000 0.876 437 D CB 1.347 42.146 40.800 -0.003 0.000 1.160 437 D HN 0.272 nan 8.370 nan 0.000 0.459 438 V N 5.790 125.686 119.914 -0.030 0.000 2.376 438 V HA 0.304 4.424 4.120 0.001 0.000 0.287 438 V C -2.167 173.967 176.094 0.066 0.000 1.015 438 V CA -1.571 60.711 62.300 -0.031 0.000 0.834 438 V CB 1.834 33.606 31.823 -0.086 0.000 1.001 438 V HN 0.427 nan 8.190 nan 0.000 0.428 439 P HA 0.192 nan 4.420 nan 0.000 0.282 439 P C -0.873 176.565 177.300 0.230 0.000 1.262 439 P CA -0.241 62.925 63.100 0.110 0.000 0.773 439 P CB 1.710 33.448 31.700 0.062 0.000 0.879 440 L N 5.566 126.887 121.223 0.164 0.000 2.277 440 L HA 0.354 4.694 4.340 0.001 0.000 0.284 440 L C -0.171 176.679 176.870 -0.032 0.000 1.028 440 L CA -0.045 54.835 54.840 0.065 0.000 0.835 440 L CB 0.867 42.901 42.059 -0.041 0.000 1.215 440 L HN 0.459 nan 8.230 nan 0.000 0.425 441 T N 0.917 115.443 114.554 -0.046 0.000 2.949 441 T HA 0.383 4.733 4.350 0.001 0.000 0.287 441 T C 1.099 175.725 174.700 -0.124 0.000 1.034 441 T CA -0.716 61.340 62.100 -0.074 0.000 1.018 441 T CB 1.941 70.775 68.868 -0.056 0.000 1.135 441 T HN 0.654 nan 8.240 nan 0.000 0.532 442 R N 0.314 120.747 120.500 -0.112 0.000 2.103 442 R HA -0.077 4.263 4.340 0.001 0.000 0.242 442 R C 0.144 176.356 176.300 -0.147 0.000 1.142 442 R CA 1.304 57.332 56.100 -0.121 0.000 0.960 442 R CB -0.041 30.201 30.300 -0.097 0.000 0.858 442 R HN 0.682 nan 8.270 nan 0.000 0.439 443 E N 1.045 121.146 120.200 -0.164 0.000 2.174 443 E HA 0.280 4.631 4.350 0.001 0.000 0.282 443 E C -0.572 175.861 176.600 -0.278 0.000 0.992 443 E CA -0.252 56.014 56.400 -0.223 0.000 0.803 443 E CB 1.759 31.313 29.700 -0.244 0.000 1.090 443 E HN 0.229 nan 8.360 nan 0.000 0.396 444 L N 1.845 122.885 121.223 -0.305 0.000 2.277 444 L HA 0.542 4.882 4.340 0.001 0.000 0.254 444 L C -0.822 175.844 176.870 -0.341 0.000 1.044 444 L CA -1.141 53.545 54.840 -0.257 0.000 0.842 444 L CB 1.539 43.520 42.059 -0.129 0.000 1.422 444 L HN 0.487 nan 8.230 nan 0.000 0.422 445 Y N 1.425 121.719 120.300 -0.010 0.000 2.391 445 Y HA 0.653 5.203 4.550 0.001 0.000 0.341 445 Y C -0.174 175.731 175.900 0.009 0.000 0.965 445 Y CA -0.914 57.168 58.100 -0.031 0.000 1.067 445 Y CB 2.316 40.736 38.460 -0.067 0.000 1.199 445 Y HN 0.353 nan 8.280 nan 0.000 0.450 446 I N -1.331 119.329 120.570 0.149 0.000 3.002 446 I HA 0.669 4.840 4.170 0.001 0.000 0.310 446 I C -0.800 175.310 176.117 -0.010 0.000 1.087 446 I CA -1.374 59.942 61.300 0.025 0.000 1.017 446 I CB 1.970 39.969 38.000 -0.003 0.000 1.226 446 I HN 0.339 nan 8.210 nan 0.000 0.443 447 E N 2.091 122.222 120.200 -0.115 0.000 2.376 447 E HA 0.091 4.441 4.350 0.001 0.000 0.266 447 E C 0.962 177.572 176.600 0.017 0.000 1.009 447 E CA 0.278 56.639 56.400 -0.066 0.000 0.902 447 E CB 0.926 30.557 29.700 -0.116 0.000 0.972 447 E HN 0.624 nan 8.360 nan 0.000 0.439 448 R N 2.724 123.245 120.500 0.034 0.000 2.103 448 R HA -0.207 4.133 4.340 0.001 0.000 0.242 448 R C 0.795 177.146 176.300 0.085 0.000 1.142 448 R CA 2.165 58.305 56.100 0.066 0.000 0.960 448 R CB -0.092 30.235 30.300 0.046 0.000 0.858 448 R HN 0.669 nan 8.270 nan 0.000 0.439 449 D N -0.788 119.654 120.400 0.070 0.000 2.378 449 D HA -0.111 4.530 4.640 0.001 0.000 0.227 449 D C 0.416 176.825 176.300 0.182 0.000 1.012 449 D CA 0.590 54.647 54.000 0.095 0.000 0.905 449 D CB -0.060 40.787 40.800 0.079 0.000 0.895 449 D HN 0.179 nan 8.370 nan 0.000 0.532 450 D N -0.978 119.519 120.400 0.163 0.000 2.349 450 D HA 0.086 4.727 4.640 0.001 0.000 0.214 450 D C -0.733 175.760 176.300 0.322 0.000 1.063 450 D CA -0.008 54.108 54.000 0.193 0.000 0.847 450 D CB 0.118 40.949 40.800 0.052 0.000 0.933 450 D HN 0.200 nan 8.370 nan 0.000 0.513 451 F N 0.990 121.003 119.950 0.104 0.000 2.518 451 F HA 0.428 4.955 4.527 0.001 0.000 0.323 451 F C -0.883 174.861 175.800 -0.094 0.000 1.129 451 F CA -1.212 56.797 58.000 0.014 0.000 0.920 451 F CB 1.960 40.899 39.000 -0.101 0.000 1.160 451 F HN -0.386 nan 8.300 nan 0.000 0.440 452 S N 7.550 122.727 115.700 -0.871 0.000 2.779 452 S HA 0.474 4.944 4.470 0.001 0.000 0.293 452 S C -2.365 171.642 174.600 -0.988 0.000 1.150 452 S CA -1.327 56.325 58.200 -0.914 0.000 1.057 452 S CB 1.635 64.148 63.200 -1.144 0.000 1.021 452 S HN 0.456 nan 8.310 nan 0.000 0.485 453 P HA 0.161 nan 4.420 nan 0.000 0.219 453 P C -0.076 177.026 177.300 -0.331 0.000 1.150 453 P CA 0.595 63.348 63.100 -0.578 0.000 0.814 453 P CB 0.259 31.756 31.700 -0.338 0.000 0.787 454 A N 0.084 122.706 122.820 -0.330 0.000 2.938 454 A HA 0.416 4.736 4.320 0.001 0.000 0.344 454 A C -2.368 175.027 177.584 -0.315 0.000 1.142 454 A CA -1.339 50.554 52.037 -0.239 0.000 0.841 454 A CB -0.176 18.728 19.000 -0.160 0.000 1.083 454 A HN 0.024 nan 8.150 nan 0.000 0.479 455 P HA 0.341 nan 4.420 nan 0.000 0.271 455 P C -2.568 174.594 177.300 -0.230 0.000 1.216 455 P CA -0.613 62.211 63.100 -0.460 0.000 0.776 455 P CB 0.672 32.126 31.700 -0.410 0.000 0.881 456 P HA 0.245 nan 4.420 nan 0.000 0.278 456 P C -0.267 177.043 177.300 0.017 0.000 1.258 456 P CA -0.653 62.410 63.100 -0.060 0.000 0.811 456 P CB 0.997 32.676 31.700 -0.036 0.000 1.063 457 K N 0.259 120.669 120.400 0.017 0.000 2.484 457 K HA 0.177 4.498 4.320 0.001 0.000 0.280 457 K C 1.007 177.644 176.600 0.061 0.000 1.013 457 K CA 1.075 57.382 56.287 0.033 0.000 1.029 457 K CB -0.681 31.829 32.500 0.017 0.000 0.902 457 K HN 0.815 nan 8.250 nan 0.000 0.481 458 G N 3.752 112.592 108.800 0.068 0.000 2.159 458 G HA2 -0.290 3.671 3.960 0.001 0.000 0.256 458 G HA3 -0.290 3.671 3.960 0.001 0.000 0.256 458 G C -0.110 174.845 174.900 0.092 0.000 0.977 458 G CA 0.006 45.143 45.100 0.061 0.000 0.652 458 G HN 0.634 nan 8.290 nan 0.000 0.531 459 F N 1.626 121.558 119.950 -0.030 0.000 2.578 459 F HA 0.457 4.984 4.527 0.001 0.000 0.381 459 F C 1.385 177.168 175.800 -0.028 0.000 1.069 459 F CA -0.050 57.928 58.000 -0.036 0.000 1.231 459 F CB 0.733 39.699 39.000 -0.058 0.000 1.086 459 F HN -0.074 nan 8.300 nan 0.000 0.564 460 K N 5.040 125.116 120.400 -0.539 0.000 2.367 460 K HA 0.130 4.451 4.320 0.001 0.000 0.194 460 K C 0.815 177.125 176.600 -0.483 0.000 1.027 460 K CA 0.225 56.285 56.287 -0.379 0.000 1.075 460 K CB 0.312 32.665 32.500 -0.244 0.000 0.845 460 K HN 0.590 nan 8.250 nan 0.000 0.529 461 R N 0.175 120.071 120.500 -1.006 0.000 2.583 461 R HA 0.279 4.619 4.340 0.001 0.000 0.212 461 R C -0.023 176.222 176.300 -0.091 0.000 1.350 461 R CA -0.810 54.973 56.100 -0.528 0.000 0.985 461 R CB -0.453 29.550 30.300 -0.495 0.000 2.068 461 R HN -0.133 nan 8.270 nan 0.000 0.516 462 L N 1.162 122.469 121.223 0.141 0.000 2.410 462 L HA 0.275 4.615 4.340 0.001 0.000 0.273 462 L C -0.348 176.697 176.870 0.292 0.000 1.152 462 L CA 1.023 56.027 54.840 0.273 0.000 0.855 462 L CB 0.568 42.837 42.059 0.350 0.000 1.129 462 L HN 0.809 nan 8.230 nan 0.000 0.463 463 T N 2.287 116.946 114.554 0.175 0.000 2.883 463 T HA 0.647 4.997 4.350 0.001 0.000 0.296 463 T C -2.886 171.866 174.700 0.087 0.000 1.117 463 T CA -2.176 59.882 62.100 -0.070 0.000 1.006 463 T CB 1.653 70.508 68.868 -0.021 0.000 1.191 463 T HN 0.317 nan 8.240 nan 0.000 0.508 464 P HA 0.296 nan 4.420 nan 0.000 0.262 464 P C 1.160 178.555 177.300 0.159 0.000 1.199 464 P CA 1.408 64.640 63.100 0.220 0.000 0.763 464 P CB 0.084 31.945 31.700 0.268 0.000 0.790 465 G N 2.319 111.220 108.800 0.168 0.000 2.184 465 G HA2 -0.194 3.767 3.960 0.001 0.000 0.264 465 G HA3 -0.194 3.767 3.960 0.001 0.000 0.264 465 G C 0.643 175.591 174.900 0.081 0.000 0.975 465 G CA 0.007 45.170 45.100 0.104 0.000 0.642 465 G HN 0.865 nan 8.290 nan 0.000 0.536 466 G N -0.927 107.931 108.800 0.096 0.000 2.537 466 G HA2 0.801 4.762 3.960 0.001 0.000 0.297 466 G HA3 0.801 4.762 3.960 0.001 0.000 0.297 466 G C 0.184 175.125 174.900 0.068 0.000 1.310 466 G CA 0.751 45.896 45.100 0.075 0.000 1.027 466 G HN 1.361 nan 8.290 nan 0.000 0.505 467 T N -3.719 110.863 114.554 0.046 0.000 2.916 467 T HA 0.708 5.059 4.350 0.001 0.000 0.292 467 T C -1.000 173.710 174.700 0.017 0.000 1.064 467 T CA -0.900 61.215 62.100 0.024 0.000 1.011 467 T CB 1.904 70.775 68.868 0.006 0.000 1.152 467 T HN 1.181 nan 8.240 nan 0.000 0.510 468 V N 0.075 119.988 119.914 -0.002 0.000 3.147 468 V HA 0.665 4.785 4.120 0.001 0.000 0.299 468 V C -1.242 174.835 176.094 -0.028 0.000 1.302 468 V CA -1.177 61.115 62.300 -0.015 0.000 1.015 468 V CB 2.376 34.197 31.823 -0.004 0.000 1.086 468 V HN 1.163 nan 8.190 nan 0.000 0.437 469 R N 4.214 124.701 120.500 -0.023 0.000 2.297 469 R HA 0.627 4.968 4.340 0.001 0.000 0.308 469 R C -1.208 175.090 176.300 -0.003 0.000 1.029 469 R CA -0.555 55.534 56.100 -0.020 0.000 0.929 469 R CB 1.018 31.315 30.300 -0.005 0.000 1.046 469 R HN 0.739 nan 8.270 nan 0.000 0.461 470 L N 4.597 125.795 121.223 -0.041 0.000 2.276 470 L HA 0.349 4.690 4.340 0.001 0.000 0.286 470 L C 0.479 177.451 176.870 0.171 0.000 1.061 470 L CA -0.841 53.985 54.840 -0.023 0.000 0.807 470 L CB 1.111 42.907 42.059 -0.438 0.000 1.177 470 L HN 0.580 nan 8.230 nan 0.000 0.429 471 R N 2.584 123.316 120.500 0.386 0.000 2.486 471 R HA 0.011 4.351 4.340 0.001 0.000 0.304 471 R C 1.148 177.669 176.300 0.368 0.000 0.913 471 R CA 1.201 57.492 56.100 0.318 0.000 1.124 471 R CB -0.235 30.205 30.300 0.234 0.000 0.891 471 R HN 0.859 nan 8.270 nan 0.000 0.410 472 G N 2.498 111.409 108.800 0.185 0.000 2.212 472 G HA2 -0.301 3.659 3.960 0.001 0.000 0.267 472 G HA3 -0.301 3.659 3.960 0.001 0.000 0.267 472 G C 0.489 175.477 174.900 0.147 0.000 1.002 472 G CA 0.676 45.864 45.100 0.147 0.000 0.729 472 G HN 0.924 nan 8.290 nan 0.000 0.517 473 A N -1.663 121.219 122.820 0.103 0.000 2.606 473 A HA 0.752 5.072 4.320 0.001 0.000 0.230 473 A C 1.605 179.142 177.584 -0.078 0.000 1.279 473 A CA 1.512 53.542 52.037 -0.012 0.000 1.010 473 A CB 0.534 19.444 19.000 -0.150 0.000 1.271 473 A HN 2.509 nan 8.150 nan 0.000 0.584 474 G N -0.703 108.064 108.800 -0.055 0.000 2.462 474 G HA2 0.094 4.055 3.960 0.001 0.000 0.685 474 G HA3 0.094 4.055 3.960 0.001 0.000 0.685 474 G C -0.798 174.053 174.900 -0.081 0.000 1.295 474 G CA -0.485 44.576 45.100 -0.065 0.000 0.941 474 G HN 0.549 nan 8.290 nan 0.000 0.554 475 I N 1.047 121.577 120.570 -0.067 0.000 2.396 475 I HA 0.601 4.771 4.170 0.001 0.000 0.292 475 I C 0.939 177.010 176.117 -0.077 0.000 0.999 475 I CA -0.784 60.478 61.300 -0.063 0.000 1.310 475 I CB 1.304 39.281 38.000 -0.039 0.000 1.404 475 I HN 0.692 nan 8.210 nan 0.000 0.496 476 I N 3.114 123.638 120.570 -0.077 0.000 2.846 476 I HA 0.672 4.843 4.170 0.001 0.000 0.307 476 I C -0.701 175.391 176.117 -0.041 0.000 1.053 476 I CA -0.967 60.286 61.300 -0.078 0.000 1.050 476 I CB 2.175 40.105 38.000 -0.116 0.000 1.239 476 I HN 0.580 nan 8.210 nan 0.000 0.439 477 R N 3.370 123.851 120.500 -0.031 0.000 2.534 477 R HA 0.730 5.070 4.340 0.001 0.000 0.301 477 R C -0.952 175.353 176.300 0.009 0.000 0.961 477 R CA -0.697 55.403 56.100 0.001 0.000 0.871 477 R CB 2.014 32.316 30.300 0.004 0.000 1.170 477 R HN 0.959 nan 8.270 nan 0.000 0.446 478 A N 3.665 126.515 122.820 0.050 0.000 2.438 478 A HA 0.126 4.447 4.320 0.001 0.000 0.280 478 A C -0.030 177.609 177.584 0.091 0.000 1.160 478 A CA -0.221 51.853 52.037 0.063 0.000 0.821 478 A CB 0.163 19.270 19.000 0.179 0.000 1.101 478 A HN 0.883 nan 8.150 nan 0.000 0.515 479 D N 0.745 121.179 120.400 0.057 0.000 2.301 479 D HA 0.090 4.730 4.640 0.001 0.000 0.206 479 D C -0.123 176.226 176.300 0.082 0.000 0.979 479 D CA 0.944 54.979 54.000 0.059 0.000 0.874 479 D CB 0.511 41.325 40.800 0.024 0.000 0.968 479 D HN 0.653 nan 8.370 nan 0.000 0.510 480 D N -1.280 119.182 120.400 0.103 0.000 2.710 480 D HA 0.346 4.986 4.640 0.001 0.000 0.276 480 D C -1.700 174.683 176.300 0.139 0.000 1.267 480 D CA -0.667 53.385 54.000 0.086 0.000 0.772 480 D CB 1.459 42.267 40.800 0.014 0.000 1.299 480 D HN -0.085 nan 8.370 nan 0.000 0.421 481 F N -1.012 118.857 119.950 -0.135 0.000 2.725 481 F HA 0.720 5.247 4.527 0.001 0.000 0.309 481 F C -0.670 174.929 175.800 -0.334 0.000 1.132 481 F CA -0.837 56.967 58.000 -0.327 0.000 0.957 481 F CB 0.958 39.828 39.000 -0.215 0.000 1.286 481 F HN 0.361 nan 8.300 nan 0.000 0.440 482 G N 0.353 108.820 108.800 -0.555 0.000 2.471 482 G HA2 0.650 4.611 3.960 0.001 0.000 0.332 482 G HA3 0.650 4.611 3.960 0.001 0.000 0.332 482 G C -1.608 173.292 174.900 0.000 0.000 1.176 482 G CA -1.035 43.893 45.100 -0.287 0.000 0.949 482 G HN 0.796 nan 8.290 nan 0.000 0.488 483 T N 0.745 115.315 114.554 0.026 0.000 2.916 483 T HA 0.469 4.820 4.350 0.001 0.000 0.298 483 T C -0.656 174.085 174.700 0.067 0.000 1.031 483 T CA -0.610 61.549 62.100 0.098 0.000 0.993 483 T CB 1.788 70.724 68.868 0.113 0.000 1.045 483 T HN 0.747 nan 8.240 nan 0.000 0.454 484 D N 1.115 121.560 120.400 0.075 0.000 2.451 484 D HA 0.256 4.896 4.640 0.001 0.000 0.259 484 D C 1.121 177.447 176.300 0.043 0.000 1.201 484 D CA -0.597 53.438 54.000 0.057 0.000 1.028 484 D CB 0.692 41.528 40.800 0.059 0.000 1.095 484 D HN 0.200 nan 8.370 nan 0.000 0.539 485 E N -0.235 119.985 120.200 0.033 0.000 2.118 485 E HA -0.154 4.196 4.350 0.001 0.000 0.195 485 E C 1.917 178.531 176.600 0.024 0.000 0.992 485 E CA 1.567 57.982 56.400 0.025 0.000 0.804 485 E CB -0.695 29.017 29.700 0.020 0.000 0.741 485 E HN 0.628 nan 8.360 nan 0.000 0.458 486 A N -0.096 122.740 122.820 0.027 0.000 2.209 486 A HA 0.169 4.489 4.320 0.001 0.000 0.212 486 A C 1.684 179.285 177.584 0.027 0.000 1.158 486 A CA 1.273 53.325 52.037 0.024 0.000 0.742 486 A CB -0.352 18.663 19.000 0.024 0.000 0.790 486 A HN 0.302 nan 8.150 nan 0.000 0.472 487 G N -1.724 107.098 108.800 0.037 0.000 2.132 487 G HA2 -0.191 3.770 3.960 0.001 0.000 0.234 487 G HA3 -0.191 3.770 3.960 0.001 0.000 0.234 487 G C -0.129 174.805 174.900 0.057 0.000 0.989 487 G CA 0.175 45.301 45.100 0.045 0.000 0.676 487 G HN 0.468 nan 8.290 nan 0.000 0.522 488 Q N 0.269 120.106 119.800 0.062 0.000 2.241 488 Q HA 0.511 4.852 4.340 0.001 0.000 0.254 488 Q C 0.867 176.931 176.000 0.106 0.000 0.917 488 Q CA -0.320 55.525 55.803 0.070 0.000 0.919 488 Q CB 2.079 30.851 28.738 0.058 0.000 1.237 488 Q HN 0.964 nan 8.270 nan 0.000 0.434 489 V N 0.539 120.530 119.914 0.129 0.000 2.529 489 V HA 0.125 4.246 4.120 0.001 0.000 0.292 489 V C 1.131 177.302 176.094 0.127 0.000 1.028 489 V CA 0.480 62.886 62.300 0.176 0.000 1.074 489 V CB 0.290 32.235 31.823 0.204 0.000 0.958 489 V HN 0.947 nan 8.190 nan 0.000 0.481 490 T N 1.266 115.897 114.554 0.128 0.000 3.031 490 T HA 0.221 4.571 4.350 0.001 0.000 0.254 490 T C 0.525 175.353 174.700 0.214 0.000 1.060 490 T CA 1.007 63.204 62.100 0.160 0.000 1.135 490 T CB -0.457 68.534 68.868 0.204 0.000 0.896 490 T HN 1.316 nan 8.240 nan 0.000 0.472 491 H N -1.256 117.860 119.070 0.077 0.000 3.037 491 H HA 0.696 5.252 4.556 0.001 0.000 0.336 491 H C -1.918 173.409 175.328 -0.000 0.000 1.323 491 H CA -1.416 54.647 56.048 0.025 0.000 1.159 491 H CB 0.646 30.418 29.762 0.017 0.000 1.882 491 H HN 0.154 nan 8.280 nan 0.000 0.535 492 I N 1.361 121.901 120.570 -0.050 0.000 2.647 492 I HA 0.475 4.646 4.170 0.001 0.000 0.295 492 I C -0.579 175.519 176.117 -0.031 0.000 1.078 492 I CA -0.858 60.339 61.300 -0.172 0.000 1.048 492 I CB 2.309 40.038 38.000 -0.452 0.000 1.239 492 I HN 0.469 nan 8.210 nan 0.000 0.421 493 R N 3.860 124.355 120.500 -0.009 0.000 2.437 493 R HA 0.863 5.203 4.340 0.001 0.000 0.310 493 R C -0.966 175.315 176.300 -0.032 0.000 0.955 493 R CA -0.575 55.528 56.100 0.005 0.000 0.851 493 R CB 2.275 32.603 30.300 0.048 0.000 1.161 493 R HN 0.774 nan 8.270 nan 0.000 0.446 494 A N 1.546 124.333 122.820 -0.054 0.000 2.532 494 A HA 0.744 5.065 4.320 0.001 0.000 0.290 494 A C -0.962 176.586 177.584 -0.060 0.000 1.143 494 A CA -0.629 51.373 52.037 -0.058 0.000 0.728 494 A CB 2.236 21.183 19.000 -0.089 0.000 1.317 494 A HN 0.501 nan 8.150 nan 0.000 0.414 495 T N 1.059 115.581 114.554 -0.054 0.000 2.824 495 T HA 0.479 4.829 4.350 0.001 0.000 0.282 495 T C -0.914 173.745 174.700 -0.068 0.000 0.993 495 T CA -0.276 61.791 62.100 -0.055 0.000 0.967 495 T CB 1.091 69.938 68.868 -0.036 0.000 0.960 495 T HN 0.584 nan 8.240 nan 0.000 0.441 496 L N 5.005 126.180 121.223 -0.081 0.000 2.313 496 L HA 0.447 4.787 4.340 0.001 0.000 0.282 496 L C -0.473 176.358 176.870 -0.065 0.000 1.092 496 L CA 0.039 54.825 54.840 -0.091 0.000 0.831 496 L CB -0.304 41.691 42.059 -0.107 0.000 1.159 496 L HN 0.571 nan 8.230 nan 0.000 0.442 497 L N 3.774 124.963 121.223 -0.057 0.000 2.488 497 L HA 0.631 4.972 4.340 0.001 0.000 0.249 497 L C 1.023 177.870 176.870 -0.039 0.000 1.151 497 L CA -0.405 54.410 54.840 -0.041 0.000 0.806 497 L CB 0.579 42.619 42.059 -0.032 0.000 1.261 497 L HN 0.716 nan 8.230 nan 0.000 0.484 498 G N -1.157 107.625 108.800 -0.030 0.000 2.642 498 G HA2 0.251 4.212 3.960 0.001 0.000 0.291 498 G HA3 0.251 4.212 3.960 0.001 0.000 0.291 498 G C 0.391 175.278 174.900 -0.022 0.000 1.345 498 G CA -0.312 44.773 45.100 -0.026 0.000 1.043 498 G HN 0.745 nan 8.290 nan 0.000 0.528 499 E N -0.235 119.954 120.200 -0.018 0.000 2.108 499 E HA -0.218 4.133 4.350 0.001 0.000 0.203 499 E C 1.662 178.254 176.600 -0.013 0.000 1.022 499 E CA 1.702 58.093 56.400 -0.015 0.000 0.823 499 E CB 0.002 29.695 29.700 -0.012 0.000 0.744 499 E HN 0.413 nan 8.360 nan 0.000 0.456 500 D N 0.633 121.026 120.400 -0.012 0.000 2.178 500 D HA -0.053 4.588 4.640 0.001 0.000 0.201 500 D C 0.642 176.936 176.300 -0.010 0.000 0.980 500 D CA 0.736 54.730 54.000 -0.010 0.000 0.842 500 D CB -0.222 40.572 40.800 -0.008 0.000 0.948 500 D HN 0.123 nan 8.370 nan 0.000 0.472 501 A N 1.015 123.828 122.820 -0.012 0.000 2.587 501 A HA 0.030 4.350 4.320 0.001 0.000 0.233 501 A C 0.497 178.074 177.584 -0.011 0.000 1.049 501 A CA 0.713 52.742 52.037 -0.012 0.000 0.754 501 A CB 0.281 19.271 19.000 -0.018 0.000 0.977 501 A HN 0.024 nan 8.150 nan 0.000 0.509 502 K N 0.012 120.407 120.400 -0.009 0.000 2.395 502 K HA 0.775 5.096 4.320 0.001 0.000 0.247 502 K C -0.704 175.891 176.600 -0.009 0.000 0.973 502 K CA -0.328 55.953 56.287 -0.009 0.000 0.828 502 K CB 2.523 35.019 32.500 -0.006 0.000 1.272 502 K HN 1.015 nan 8.250 nan 0.000 0.439 503 A N 0.086 122.899 122.820 -0.011 0.000 2.594 503 A HA 0.652 4.973 4.320 0.001 0.000 0.295 503 A C -0.622 176.950 177.584 -0.020 0.000 1.071 503 A CA -0.403 51.626 52.037 -0.015 0.000 0.685 503 A CB 1.525 20.514 19.000 -0.018 0.000 1.285 503 A HN 0.706 nan 8.150 nan 0.000 0.405 504 A N 0.414 123.218 122.820 -0.028 0.000 2.195 504 A HA 0.585 4.905 4.320 0.001 0.000 0.210 504 A C 1.012 178.562 177.584 -0.057 0.000 1.165 504 A CA 1.269 53.283 52.037 -0.038 0.000 0.806 504 A CB -0.156 18.820 19.000 -0.039 0.000 0.847 504 A HN 2.077 nan 8.150 nan 0.000 0.482 505 G N -1.789 106.973 108.800 -0.063 0.000 2.766 505 G HA2 0.529 4.490 3.960 0.001 0.000 0.288 505 G HA3 0.529 4.490 3.960 0.001 0.000 0.288 505 G C -1.593 173.281 174.900 -0.043 0.000 1.408 505 G CA -0.313 44.742 45.100 -0.074 0.000 0.852 505 G HN 0.418 nan 8.290 nan 0.000 0.487 506 V N 0.558 120.454 119.914 -0.029 0.000 2.686 506 V HA 0.699 4.820 4.120 0.001 0.000 0.306 506 V C -0.171 175.944 176.094 0.035 0.000 1.065 506 V CA -0.657 61.650 62.300 0.013 0.000 0.894 506 V CB 1.220 33.060 31.823 0.028 0.000 1.004 506 V HN 0.965 nan 8.190 nan 0.000 0.424 507 I N 0.535 121.151 120.570 0.076 0.000 2.934 507 I HA 0.717 4.888 4.170 0.001 0.000 0.306 507 I C -0.112 176.126 176.117 0.202 0.000 1.110 507 I CA -0.802 60.558 61.300 0.101 0.000 1.019 507 I CB 2.424 40.432 38.000 0.014 0.000 1.227 507 I HN 0.847 nan 8.210 nan 0.000 0.434 508 H N 1.879 120.990 119.070 0.069 0.000 2.509 508 H HA 0.540 5.097 4.556 0.001 0.000 0.360 508 H C -1.203 174.188 175.328 0.105 0.000 1.398 508 H CA -0.406 55.628 56.048 -0.024 0.000 1.429 508 H CB 1.112 30.775 29.762 -0.165 0.000 1.611 508 H HN 0.944 nan 8.280 nan 0.000 0.606 509 W N -1.408 119.877 121.300 -0.024 0.000 3.002 509 W HA 0.435 5.095 4.660 0.001 0.000 0.346 509 W C -2.151 174.352 176.519 -0.026 0.000 1.158 509 W CA -0.799 56.496 57.345 -0.083 0.000 1.150 509 W CB 0.220 29.627 29.460 -0.089 0.000 1.446 509 W HN 0.667 nan 8.180 nan 0.000 0.564 510 V N -1.006 119.041 119.914 0.222 0.000 3.049 510 V HA 0.643 4.763 4.120 0.001 0.000 0.309 510 V C -0.028 176.226 176.094 0.267 0.000 1.148 510 V CA -0.643 61.708 62.300 0.085 0.000 0.990 510 V CB 0.872 32.704 31.823 0.015 0.000 1.039 510 V HN 0.870 nan 8.190 nan 0.000 0.430 511 S N 2.430 118.256 115.700 0.211 0.000 2.525 511 S HA 0.420 4.891 4.470 0.001 0.000 0.285 511 S C 1.402 175.944 174.600 -0.097 0.000 1.283 511 S CA 0.228 58.482 58.200 0.091 0.000 1.072 511 S CB 0.817 64.066 63.200 0.081 0.000 0.867 511 S HN 1.971 nan 8.310 nan 0.000 0.492 512 A N 4.090 126.708 122.820 -0.336 0.000 2.119 512 A HA 0.010 4.330 4.320 0.001 0.000 0.217 512 A C 1.927 179.315 177.584 -0.327 0.000 1.153 512 A CA 1.119 52.740 52.037 -0.694 0.000 0.692 512 A CB -0.373 17.895 19.000 -1.220 0.000 0.799 512 A HN 1.002 nan 8.150 nan 0.000 0.458 513 E N -1.603 118.490 120.200 -0.179 0.000 2.340 513 E HA 0.050 4.401 4.350 0.001 0.000 0.198 513 E C 1.310 177.894 176.600 -0.027 0.000 0.961 513 E CA -0.180 56.166 56.400 -0.089 0.000 0.905 513 E CB -0.030 29.624 29.700 -0.078 0.000 0.884 513 E HN 0.312 nan 8.360 nan 0.000 0.491 514 R N 1.017 121.509 120.500 -0.014 0.000 2.334 514 R HA 0.368 4.708 4.340 0.001 0.000 0.212 514 R C 0.644 176.970 176.300 0.044 0.000 0.897 514 R CA 0.429 56.540 56.100 0.019 0.000 1.056 514 R CB 0.515 30.827 30.300 0.020 0.000 1.046 514 R HN 0.119 nan 8.270 nan 0.000 0.513 515 A N 1.680 124.533 122.820 0.056 0.000 2.351 515 A HA 0.471 4.792 4.320 0.001 0.000 0.257 515 A C 0.125 177.836 177.584 0.213 0.000 1.087 515 A CA -0.332 51.776 52.037 0.119 0.000 0.798 515 A CB 0.348 19.441 19.000 0.155 0.000 1.033 515 A HN 0.166 nan 8.150 nan 0.000 0.488 516 L N 2.912 124.253 121.223 0.198 0.000 2.289 516 L HA 0.379 4.719 4.340 0.001 0.000 0.285 516 L C -2.017 174.966 176.870 0.188 0.000 1.049 516 L CA -1.990 52.955 54.840 0.175 0.000 0.804 516 L CB 1.337 43.456 42.059 0.100 0.000 1.195 516 L HN 0.514 nan 8.230 nan 0.000 0.428 517 P HA 0.292 nan 4.420 nan 0.000 0.271 517 P C -0.987 176.181 177.300 -0.221 0.000 1.218 517 P CA -0.161 62.791 63.100 -0.248 0.000 0.780 517 P CB 1.615 33.209 31.700 -0.176 0.000 0.901 518 A N 1.202 123.813 122.820 -0.349 0.000 2.612 518 A HA 0.489 4.809 4.320 0.001 0.000 0.293 518 A C -1.194 176.088 177.584 -0.505 0.000 1.075 518 A CA -0.651 51.153 52.037 -0.388 0.000 0.680 518 A CB 1.332 20.092 19.000 -0.400 0.000 1.279 518 A HN 0.546 nan 8.150 nan 0.000 0.411 519 E N 0.697 120.629 120.200 -0.446 0.000 2.166 519 E HA 0.655 5.006 4.350 0.001 0.000 0.275 519 E C -1.764 174.655 176.600 -0.303 0.000 0.941 519 E CA -0.365 55.882 56.400 -0.254 0.000 0.784 519 E CB 0.788 30.413 29.700 -0.126 0.000 1.115 519 E HN 0.402 nan 8.360 nan 0.000 0.399 520 F N 2.563 122.595 119.950 0.137 0.000 2.495 520 F HA 0.491 5.019 4.527 0.001 0.000 0.327 520 F C 0.272 176.164 175.800 0.152 0.000 1.103 520 F CA -0.908 57.248 58.000 0.258 0.000 0.949 520 F CB 1.656 40.825 39.000 0.282 0.000 1.142 520 F HN 0.229 nan 8.300 nan 0.000 0.457 521 R N 3.784 124.461 120.500 0.295 0.000 2.310 521 R HA 0.567 4.908 4.340 0.001 0.000 0.324 521 R C -1.380 174.786 176.300 -0.223 0.000 0.955 521 R CA -0.653 55.414 56.100 -0.055 0.000 0.830 521 R CB 1.402 31.619 30.300 -0.138 0.000 1.154 521 R HN 0.603 nan 8.270 nan 0.000 0.458 522 L N 4.749 125.816 121.223 -0.260 0.000 2.265 522 L HA 0.453 4.794 4.340 0.001 0.000 0.289 522 L C -0.689 175.996 176.870 -0.308 0.000 1.033 522 L CA -0.794 53.932 54.840 -0.191 0.000 0.814 522 L CB 0.384 42.434 42.059 -0.014 0.000 1.203 522 L HN 0.468 nan 8.230 nan 0.000 0.423 523 Y N 1.065 121.388 120.300 0.037 0.000 2.419 523 Y HA 0.509 5.059 4.550 0.001 0.000 0.328 523 Y C 0.132 176.065 175.900 0.054 0.000 1.162 523 Y CA -0.540 57.583 58.100 0.039 0.000 1.174 523 Y CB 1.677 40.152 38.460 0.025 0.000 1.228 523 Y HN 0.468 nan 8.280 nan 0.000 0.473 524 D N -0.116 120.432 120.400 0.246 0.000 2.531 524 D HA 0.354 4.994 4.640 0.001 0.000 0.244 524 D C -0.921 175.501 176.300 0.203 0.000 1.090 524 D CA -0.995 53.151 54.000 0.243 0.000 0.989 524 D CB 1.512 42.461 40.800 0.248 0.000 1.433 524 D HN 0.442 nan 8.370 nan 0.000 0.492 525 R N 1.193 121.816 120.500 0.204 0.000 2.537 525 R HA -0.012 4.328 4.340 0.001 0.000 0.281 525 R C 1.179 177.512 176.300 0.054 0.000 0.988 525 R CA -0.253 55.856 56.100 0.016 0.000 1.077 525 R CB 0.471 30.580 30.300 -0.319 0.000 0.932 525 R HN 0.316 nan 8.270 nan 0.000 0.409 526 L N 3.734 124.933 121.223 -0.039 0.000 2.079 526 L HA -0.060 4.280 4.340 0.001 0.000 0.210 526 L C -0.074 176.545 176.870 -0.418 0.000 1.081 526 L CA 1.857 56.556 54.840 -0.235 0.000 0.752 526 L CB 0.009 41.870 42.059 -0.331 0.000 0.896 526 L HN 0.420 nan 8.230 nan 0.000 0.433 527 F N -1.285 118.741 119.950 0.126 0.000 2.522 527 F HA 0.377 4.905 4.527 0.001 0.000 0.324 527 F C 1.271 177.212 175.800 0.234 0.000 1.077 527 F CA -0.811 57.294 58.000 0.175 0.000 0.944 527 F CB 1.165 40.240 39.000 0.124 0.000 1.175 527 F HN -0.181 nan 8.300 nan 0.000 0.468 528 R N 0.338 121.137 120.500 0.499 0.000 2.334 528 R HA 0.328 4.669 4.340 0.001 0.000 0.216 528 R C -0.573 175.979 176.300 0.421 0.000 0.905 528 R CA 0.133 56.578 56.100 0.575 0.000 1.064 528 R CB -0.227 30.396 30.300 0.539 0.000 1.046 528 R HN 0.369 nan 8.270 nan 0.000 0.508 529 V N -3.848 116.073 119.914 0.010 0.000 2.962 529 V HA 0.484 4.604 4.120 0.001 0.000 0.313 529 V C -2.455 172.951 176.094 -1.146 0.000 1.099 529 V CA -2.712 59.333 62.300 -0.426 0.000 0.971 529 V CB 2.661 34.209 31.823 -0.459 0.000 1.028 529 V HN -0.211 nan 8.190 nan 0.000 0.430 530 P HA -0.073 nan 4.420 nan 0.000 0.218 530 P C 0.226 176.815 177.300 -1.186 0.000 1.148 530 P CA 1.565 63.715 63.100 -1.584 0.000 0.822 530 P CB -0.073 30.973 31.700 -1.089 0.000 0.784 531 H N -2.263 116.502 119.070 -0.508 0.000 2.348 531 H HA 0.196 4.753 4.556 0.001 0.000 0.232 531 H C -1.653 173.413 175.328 -0.438 0.000 1.419 531 H CA -1.870 53.951 56.048 -0.379 0.000 1.416 531 H CB 0.512 30.115 29.762 -0.266 0.000 1.510 531 H HN 0.205 nan 8.280 nan 0.000 0.507 532 P HA -0.121 nan 4.420 nan 0.000 0.223 532 P C 0.770 177.989 177.300 -0.135 0.000 1.144 532 P CA 1.080 63.931 63.100 -0.414 0.000 0.783 532 P CB 0.640 31.964 31.700 -0.627 0.000 0.771 533 E N -0.801 119.305 120.200 -0.158 0.000 2.476 533 E HA 0.315 4.666 4.350 0.001 0.000 0.199 533 E C 0.774 177.352 176.600 -0.037 0.000 1.021 533 E CA 0.147 56.499 56.400 -0.080 0.000 0.907 533 E CB 0.384 29.997 29.700 -0.146 0.000 0.974 533 E HN 0.218 nan 8.360 nan 0.000 0.489 534 G N 1.559 110.330 108.800 -0.048 0.000 2.555 534 G HA2 -0.204 3.756 3.960 0.001 0.000 0.686 534 G HA3 -0.204 3.756 3.960 0.001 0.000 0.686 534 G C -0.258 174.559 174.900 -0.138 0.000 1.275 534 G CA -0.693 44.374 45.100 -0.056 0.000 0.871 534 G HN 0.158 nan 8.290 nan 0.000 0.603 535 E N 0.455 120.522 120.200 -0.222 0.000 2.494 535 E HA 0.055 4.405 4.350 0.001 0.000 0.193 535 E C 0.788 177.250 176.600 -0.231 0.000 1.074 535 E CA 0.209 56.381 56.400 -0.380 0.000 0.867 535 E CB 0.020 29.476 29.700 -0.408 0.000 0.924 535 E HN 0.380 nan 8.360 nan 0.000 0.502 566 F N 1.064 121.040 119.950 0.042 0.000 2.494 566 F HA 0.309 4.836 4.527 0.001 0.000 0.298 566 F C 2.139 178.058 175.800 0.198 0.000 1.106 566 F CA 0.730 58.800 58.000 0.117 0.000 1.452 566 F CB -0.457 38.577 39.000 0.056 0.000 1.085 566 F HN 0.051 nan 8.300 nan 0.000 0.569 567 M N 1.427 120.649 119.600 -0.629 0.000 2.557 567 M HA -0.014 4.466 4.480 0.001 0.000 0.259 567 M C 2.135 178.347 176.300 -0.146 0.000 1.086 567 M CA 0.965 56.050 55.300 -0.358 0.000 1.096 567 M CB -0.437 31.856 32.600 -0.512 0.000 1.424 567 M HN 0.376 nan 8.290 nan 0.000 0.488 568 R N -0.321 120.035 120.500 -0.240 0.000 2.280 568 R HA -0.114 4.226 4.340 0.001 0.000 0.207 568 R C 0.748 176.916 176.300 -0.220 0.000 1.043 568 R CA 1.229 57.155 56.100 -0.291 0.000 1.006 568 R CB -0.602 29.412 30.300 -0.477 0.000 0.885 568 R HN 0.393 nan 8.270 nan 0.000 0.467 569 Y N 0.892 121.292 120.300 0.165 0.000 2.457 569 Y HA 0.280 4.831 4.550 0.001 0.000 0.263 569 Y C 0.410 176.521 175.900 0.352 0.000 1.164 569 Y CA -0.909 57.353 58.100 0.270 0.000 1.274 569 Y CB 0.511 39.149 38.460 0.296 0.000 1.097 569 Y HN -0.094 nan 8.280 nan 0.000 0.523 570 L N 1.299 122.710 121.223 0.312 0.000 2.513 570 L HA 0.014 4.355 4.340 0.001 0.000 0.272 570 L C 0.591 177.520 176.870 0.099 0.000 1.187 570 L CA 0.198 55.072 54.840 0.057 0.000 0.895 570 L CB 0.396 42.424 42.059 -0.051 0.000 1.147 570 L HN 0.081 nan 8.230 nan 0.000 0.483 571 T N 5.357 119.966 114.554 0.091 0.000 2.888 571 T HA 0.140 4.491 4.350 0.001 0.000 0.301 571 T C -2.052 172.702 174.700 0.090 0.000 1.001 571 T CA -0.679 61.522 62.100 0.168 0.000 1.147 571 T CB 0.407 69.430 68.868 0.257 0.000 0.931 571 T HN 0.429 nan 8.240 nan 0.000 0.541 572 P HA 0.278 nan 4.420 nan 0.000 0.276 572 P C -0.518 176.804 177.300 0.037 0.000 1.230 572 P CA -0.233 62.892 63.100 0.042 0.000 0.776 572 P CB 0.341 32.060 31.700 0.032 0.000 0.888 573 D N 0.674 121.089 120.400 0.025 0.000 2.746 573 D HA -0.156 4.484 4.640 0.001 0.000 0.236 573 D C 0.946 177.270 176.300 0.040 0.000 1.129 573 D CA 1.340 55.353 54.000 0.022 0.000 0.691 573 D CB -1.694 39.113 40.800 0.012 0.000 1.077 573 D HN 0.407 nan 8.370 nan 0.000 0.432 574 S N -1.142 114.591 115.700 0.055 0.000 2.507 574 S HA 0.014 4.484 4.470 0.001 0.000 0.235 574 S C 0.597 175.258 174.600 0.102 0.000 0.988 574 S CA 0.011 58.267 58.200 0.092 0.000 0.944 574 S CB 0.446 63.691 63.200 0.075 0.000 0.762 574 S HN 0.410 nan 8.310 nan 0.000 0.526 575 L N 1.202 122.453 121.223 0.046 0.000 2.409 575 L HA 0.652 4.992 4.340 0.001 0.000 0.272 575 L C -1.009 175.830 176.870 -0.052 0.000 0.980 575 L CA -0.806 54.018 54.840 -0.027 0.000 0.826 575 L CB 1.892 43.967 42.059 0.026 0.000 1.268 575 L HN 0.003 nan 8.230 nan 0.000 0.407 576 R N 3.742 124.183 120.500 -0.098 0.000 2.575 576 R HA 0.799 5.140 4.340 0.001 0.000 0.293 576 R C -1.507 174.766 176.300 -0.045 0.000 0.983 576 R CA -0.837 55.235 56.100 -0.045 0.000 0.887 576 R CB 2.517 32.806 30.300 -0.018 0.000 1.184 576 R HN 0.457 nan 8.270 nan 0.000 0.445 577 V N 4.998 124.907 119.914 -0.008 0.000 2.459 577 V HA 0.528 4.649 4.120 0.001 0.000 0.295 577 V C -0.267 175.864 176.094 0.062 0.000 1.029 577 V CA -0.695 61.621 62.300 0.026 0.000 0.874 577 V CB 1.522 33.352 31.823 0.013 0.000 0.985 577 V HN 0.534 nan 8.190 nan 0.000 0.438 578 L N 4.834 126.136 121.223 0.132 0.000 2.370 578 L HA 0.694 5.034 4.340 0.001 0.000 0.266 578 L C -0.368 176.633 176.870 0.218 0.000 1.002 578 L CA -0.884 54.040 54.840 0.140 0.000 0.818 578 L CB 2.652 44.782 42.059 0.117 0.000 1.325 578 L HN 0.515 nan 8.230 nan 0.000 0.418 579 R N 0.744 121.315 120.500 0.120 0.000 2.343 579 R HA 0.729 5.069 4.340 0.001 0.000 0.320 579 R C -0.135 176.177 176.300 0.021 0.000 0.956 579 R CA -0.378 55.754 56.100 0.055 0.000 0.836 579 R CB 2.109 32.385 30.300 -0.041 0.000 1.151 579 R HN 0.884 nan 8.270 nan 0.000 0.450 580 G N 1.541 110.385 108.800 0.073 0.000 2.933 580 G HA2 0.436 4.396 3.960 0.001 0.000 0.203 580 G HA3 0.436 4.396 3.960 0.001 0.000 0.203 580 G C -1.697 172.944 174.900 -0.431 0.000 1.170 580 G CA -0.243 44.828 45.100 -0.050 0.000 0.880 580 G HN 0.377 nan 8.290 nan 0.000 0.573 581 Y N -1.992 118.400 120.300 0.152 0.000 2.571 581 Y HA 0.664 5.214 4.550 0.001 0.000 0.341 581 Y C -0.455 175.454 175.900 0.014 0.000 1.076 581 Y CA -0.843 57.301 58.100 0.074 0.000 1.029 581 Y CB 2.353 40.843 38.460 0.050 0.000 1.308 581 Y HN 0.467 nan 8.280 nan 0.000 0.461 582 V N 2.298 122.259 119.914 0.078 0.000 2.823 582 V HA 0.463 4.584 4.120 0.001 0.000 0.312 582 V C -0.751 175.273 176.094 -0.116 0.000 1.072 582 V CA -0.852 61.328 62.300 -0.200 0.000 0.937 582 V CB 1.826 33.410 31.823 -0.398 0.000 1.013 582 V HN 0.863 nan 8.190 nan 0.000 0.430 583 E N 7.247 127.319 120.200 -0.212 0.000 2.436 583 E HA 0.103 4.453 4.350 0.001 0.000 0.262 583 E C -1.869 174.691 176.600 -0.066 0.000 1.063 583 E CA -0.769 55.545 56.400 -0.144 0.000 0.944 583 E CB 0.353 29.924 29.700 -0.215 0.000 0.950 583 E HN 0.546 nan 8.360 nan 0.000 0.444 584 P HA -0.229 nan 4.420 nan 0.000 0.220 584 P C 1.443 178.767 177.300 0.040 0.000 1.148 584 P CA 1.581 64.694 63.100 0.022 0.000 0.803 584 P CB -0.001 31.715 31.700 0.027 0.000 0.782 585 S N -0.446 115.273 115.700 0.032 0.000 2.440 585 S HA -0.127 4.343 4.470 0.001 0.000 0.240 585 S C 2.046 176.733 174.600 0.145 0.000 1.014 585 S CA 1.215 59.467 58.200 0.086 0.000 0.980 585 S CB -1.825 61.427 63.200 0.086 0.000 0.775 585 S HN -0.004 nan 8.310 nan 0.000 0.499 586 V N 2.006 121.987 119.914 0.112 0.000 2.626 586 V HA -0.062 4.058 4.120 0.001 0.000 0.252 586 V C 3.000 179.207 176.094 0.188 0.000 1.067 586 V CA 1.314 63.712 62.300 0.163 0.000 1.081 586 V CB -1.304 30.536 31.823 0.029 0.000 0.686 586 V HN 0.685 nan 8.190 nan 0.000 0.468 587 A N 0.153 123.051 122.820 0.130 0.000 1.986 587 A HA -0.162 4.158 4.320 0.001 0.000 0.220 587 A C 2.306 179.954 177.584 0.107 0.000 1.171 587 A CA 2.043 54.144 52.037 0.107 0.000 0.640 587 A CB -0.892 18.154 19.000 0.077 0.000 0.811 587 A HN 0.564 nan 8.150 nan 0.000 0.451 588 G N -0.631 108.241 108.800 0.120 0.000 2.494 588 G HA2 0.075 4.035 3.960 0.001 0.000 0.216 588 G HA3 0.075 4.035 3.960 0.001 0.000 0.216 588 G C 0.138 175.111 174.900 0.121 0.000 1.140 588 G CA 0.300 45.465 45.100 0.108 0.000 0.801 588 G HN 0.444 nan 8.290 nan 0.000 0.536 589 D N 1.550 122.051 120.400 0.168 0.000 2.419 589 D HA 0.192 4.832 4.640 0.001 0.000 0.236 589 D C -2.123 174.258 176.300 0.135 0.000 1.165 589 D CA -0.690 53.412 54.000 0.170 0.000 0.882 589 D CB 0.325 41.290 40.800 0.274 0.000 1.201 589 D HN 0.048 nan 8.370 nan 0.000 0.443 590 P HA 0.069 nan 4.420 nan 0.000 0.269 590 P C 0.189 177.540 177.300 0.085 0.000 1.209 590 P CA -0.120 63.025 63.100 0.075 0.000 0.776 590 P CB 0.632 32.370 31.700 0.063 0.000 0.876 591 A N 3.075 125.923 122.820 0.046 0.000 1.978 591 A HA -0.195 4.125 4.320 0.001 0.000 0.220 591 A C 1.406 178.987 177.584 -0.006 0.000 1.170 591 A CA 2.030 54.066 52.037 -0.003 0.000 0.636 591 A CB -1.033 17.931 19.000 -0.059 0.000 0.810 591 A HN 0.665 nan 8.150 nan 0.000 0.448 592 D N -0.909 119.540 120.400 0.081 0.000 2.325 592 D HA 0.044 4.685 4.640 0.001 0.000 0.225 592 D C -0.082 176.415 176.300 0.328 0.000 1.096 592 D CA 0.245 54.397 54.000 0.253 0.000 0.844 592 D CB -1.082 39.895 40.800 0.294 0.000 0.925 592 D HN 0.146 nan 8.370 nan 0.000 0.513 593 T N 1.091 115.748 114.554 0.171 0.000 2.888 593 T HA 0.196 4.547 4.350 0.001 0.000 0.301 593 T C 0.438 175.110 174.700 -0.046 0.000 1.001 593 T CA -0.192 61.891 62.100 -0.029 0.000 1.147 593 T CB 0.896 69.634 68.868 -0.218 0.000 0.931 593 T HN 0.070 nan 8.240 nan 0.000 0.541 594 R N 1.991 122.411 120.500 -0.134 0.000 2.460 594 R HA 0.544 4.884 4.340 0.001 0.000 0.303 594 R C -1.109 175.054 176.300 -0.227 0.000 0.968 594 R CA -0.651 55.439 56.100 -0.017 0.000 0.889 594 R CB 1.181 31.487 30.300 0.009 0.000 1.123 594 R HN 0.587 nan 8.270 nan 0.000 0.455 595 Y N -0.006 120.366 120.300 0.120 0.000 2.570 595 Y HA 0.272 4.822 4.550 0.001 0.000 0.345 595 Y C -0.075 175.834 175.900 0.015 0.000 1.014 595 Y CA -1.035 57.086 58.100 0.034 0.000 1.063 595 Y CB 1.619 40.083 38.460 0.006 0.000 1.272 595 Y HN 0.364 nan 8.280 nan 0.000 0.477 596 Q N 1.943 121.835 119.800 0.153 0.000 2.372 596 Q HA 0.370 4.711 4.340 0.001 0.000 0.259 596 Q C -1.744 174.278 176.000 0.036 0.000 0.993 596 Q CA -0.650 55.086 55.803 -0.112 0.000 0.854 596 Q CB 0.473 29.026 28.738 -0.308 0.000 1.231 596 Q HN 0.540 nan 8.270 nan 0.000 0.462 597 F N 3.260 123.141 119.950 -0.114 0.000 2.466 597 F HA 0.152 4.679 4.527 0.001 0.000 0.363 597 F C 0.692 176.283 175.800 -0.348 0.000 1.109 597 F CA -0.659 57.149 58.000 -0.320 0.000 1.161 597 F CB 0.203 38.829 39.000 -0.623 0.000 1.117 597 F HN 0.511 nan 8.300 nan 0.000 0.539 598 E N 3.940 124.029 120.200 -0.184 0.000 2.900 598 E HA -0.144 4.206 4.350 0.001 0.000 0.259 598 E C 0.617 176.980 176.600 -0.395 0.000 0.918 598 E CA 0.561 56.802 56.400 -0.265 0.000 0.960 598 E CB 0.163 29.717 29.700 -0.243 0.000 0.908 598 E HN 0.523 nan 8.360 nan 0.000 0.511 599 R N 1.611 121.974 120.500 -0.228 0.000 4.000 599 R HA -0.275 4.066 4.340 0.001 0.000 0.348 599 R C 0.802 177.021 176.300 -0.135 0.000 1.204 599 R CA 1.008 57.012 56.100 -0.160 0.000 0.987 599 R CB -0.934 29.302 30.300 -0.107 0.000 1.446 599 R HN 0.548 nan 8.270 nan 0.000 0.555 600 Q N -1.415 118.313 119.800 -0.121 0.000 2.534 600 Q HA 0.314 4.654 4.340 0.001 0.000 0.252 600 Q C 1.038 177.158 176.000 0.200 0.000 0.850 600 Q CA 1.378 57.200 55.803 0.031 0.000 0.974 600 Q CB 1.794 30.516 28.738 -0.027 0.000 1.205 600 Q HN 0.442 nan 8.270 nan 0.000 0.593 601 G N -0.229 108.679 108.800 0.180 0.000 2.350 601 G HA2 0.102 4.062 3.960 0.001 0.000 0.282 601 G HA3 0.102 4.062 3.960 0.001 0.000 0.282 601 G C -1.953 172.945 174.900 -0.003 0.000 1.314 601 G CA -0.983 44.161 45.100 0.074 0.000 0.915 601 G HN 0.004 nan 8.290 nan 0.000 0.499 602 Y N -0.326 119.983 120.300 0.014 0.000 2.330 602 Y HA 0.771 5.321 4.550 0.001 0.000 0.336 602 Y C 0.064 175.884 175.900 -0.134 0.000 1.036 602 Y CA -0.162 57.943 58.100 0.009 0.000 1.125 602 Y CB 1.525 39.946 38.460 -0.065 0.000 1.194 602 Y HN 0.453 nan 8.280 nan 0.000 0.469 603 F N 1.644 121.522 119.950 -0.121 0.000 2.650 603 F HA 0.589 5.116 4.527 0.001 0.000 0.320 603 F C -0.942 175.011 175.800 0.254 0.000 1.091 603 F CA -1.452 56.505 58.000 -0.072 0.000 0.962 603 F CB 2.012 40.632 39.000 -0.634 0.000 1.363 603 F HN 0.542 nan 8.300 nan 0.000 0.482 604 W N 0.572 122.134 121.300 0.437 0.000 3.161 604 W HA 0.516 5.176 4.660 0.001 0.000 0.314 604 W C -1.997 174.790 176.519 0.446 0.000 1.245 604 W CA -1.765 55.868 57.345 0.479 0.000 1.191 604 W CB 0.829 30.437 29.460 0.248 0.000 1.392 604 W HN 0.551 nan 8.180 nan 0.000 0.568 605 R N 3.002 123.532 120.500 0.050 0.000 2.484 605 R HA 0.029 4.369 4.340 0.001 0.000 0.293 605 R C 0.361 176.251 176.300 -0.684 0.000 1.023 605 R CA 0.118 55.962 56.100 -0.427 0.000 1.037 605 R CB 0.224 30.253 30.300 -0.451 0.000 0.951 605 R HN 0.249 nan 8.270 nan 0.000 0.418 606 D N 5.583 125.765 120.400 -0.364 0.000 2.451 606 D HA -0.035 4.606 4.640 0.001 0.000 0.254 606 D C -1.241 174.834 176.300 -0.375 0.000 1.204 606 D CA -1.653 52.192 54.000 -0.259 0.000 0.896 606 D CB 1.061 41.826 40.800 -0.058 0.000 1.136 606 D HN 0.317 nan 8.370 nan 0.000 0.499 607 P HA -0.147 nan 4.420 nan 0.000 0.218 607 P C 1.571 178.760 177.300 -0.185 0.000 1.149 607 P CA 0.423 63.303 63.100 -0.367 0.000 0.817 607 P CB 0.442 31.940 31.700 -0.336 0.000 0.785 608 V N 1.277 121.119 119.914 -0.119 0.000 2.307 608 V HA -0.152 3.969 4.120 0.001 0.000 0.245 608 V C 2.598 178.646 176.094 -0.076 0.000 1.045 608 V CA 1.775 64.032 62.300 -0.071 0.000 1.024 608 V CB -1.126 30.676 31.823 -0.035 0.000 0.651 608 V HN 0.083 nan 8.190 nan 0.000 0.449 609 E N -0.057 120.089 120.200 -0.090 0.000 2.338 609 E HA -0.097 4.254 4.350 0.001 0.000 0.197 609 E C 2.138 178.671 176.600 -0.112 0.000 1.007 609 E CA 0.688 57.034 56.400 -0.089 0.000 0.849 609 E CB -0.137 29.508 29.700 -0.092 0.000 0.774 609 E HN 0.513 nan 8.360 nan 0.000 0.506 610 L N 0.904 122.042 121.223 -0.142 0.000 2.072 610 L HA -0.130 4.210 4.340 0.001 0.000 0.205 610 L C 2.192 179.005 176.870 -0.095 0.000 1.079 610 L CA 0.967 55.724 54.840 -0.140 0.000 0.752 610 L CB -0.143 41.813 42.059 -0.173 0.000 0.906 610 L HN -0.001 nan 8.230 nan 0.000 0.436 611 E N 0.083 120.234 120.200 -0.082 0.000 2.338 611 E HA -0.062 4.289 4.350 0.001 0.000 0.197 611 E C 0.875 177.450 176.600 -0.042 0.000 1.007 611 E CA 0.334 56.701 56.400 -0.055 0.000 0.849 611 E CB 0.024 29.696 29.700 -0.046 0.000 0.774 611 E HN 0.453 nan 8.360 nan 0.000 0.506 612 R N 0.449 120.922 120.500 -0.046 0.000 2.840 612 R HA 0.157 4.498 4.340 0.001 0.000 0.282 612 R C 0.723 177.004 176.300 -0.031 0.000 1.133 612 R CA -0.385 55.694 56.100 -0.034 0.000 1.208 612 R CB 0.451 30.730 30.300 -0.035 0.000 1.160 612 R HN -0.143 nan 8.270 nan 0.000 0.576 621 V N 5.247 124.918 119.914 -0.404 0.000 2.347 621 V HA 0.526 4.646 4.120 0.001 0.000 0.280 621 V C -0.267 175.586 176.094 -0.402 0.000 1.021 621 V CA -0.180 61.928 62.300 -0.319 0.000 0.847 621 V CB 1.223 32.941 31.823 -0.175 0.000 0.990 621 V HN 0.490 nan 8.190 nan 0.000 0.444 622 F N 2.435 122.357 119.950 -0.048 0.000 2.436 622 F HA 0.745 5.272 4.527 0.001 0.000 0.340 622 F C 0.889 176.894 175.800 0.342 0.000 1.113 622 F CA -0.393 57.717 58.000 0.183 0.000 1.022 622 F CB 1.970 41.176 39.000 0.344 0.000 1.128 622 F HN 0.561 nan 8.300 nan 0.000 0.466 623 G N 2.133 111.274 108.800 0.567 0.000 2.388 623 G HA2 0.479 4.439 3.960 0.001 0.000 0.330 623 G HA3 0.479 4.439 3.960 0.001 0.000 0.330 623 G C -1.274 173.871 174.900 0.409 0.000 1.142 623 G CA -0.935 44.473 45.100 0.514 0.000 0.908 623 G HN 0.636 nan 8.290 nan 0.000 0.473 624 R N 2.411 122.947 120.500 0.059 0.000 2.267 624 R HA 0.270 4.610 4.340 0.001 0.000 0.319 624 R C 0.875 177.076 176.300 -0.166 0.000 1.067 624 R CA -0.487 55.211 56.100 -0.669 0.000 0.936 624 R CB 0.383 30.202 30.300 -0.802 0.000 1.006 624 R HN 0.559 nan 8.270 nan 0.000 0.452 625 I N 4.398 124.855 120.570 -0.189 0.000 2.233 625 I HA -0.012 4.158 4.170 0.001 0.000 0.243 625 I C 1.074 177.132 176.117 -0.099 0.000 1.093 625 I CA 1.027 62.262 61.300 -0.109 0.000 1.380 625 I CB 0.074 37.975 38.000 -0.165 0.000 1.067 625 I HN 0.571 nan 8.210 nan 0.000 0.413 626 I N -0.876 119.639 120.570 -0.091 0.000 2.793 626 I HA 0.084 4.255 4.170 0.001 0.000 0.295 626 I C -0.311 175.826 176.117 0.032 0.000 1.610 626 I CA -0.655 60.627 61.300 -0.030 0.000 0.986 626 I CB 2.066 40.032 38.000 -0.057 0.000 1.402 626 I HN 0.026 nan 8.210 nan 0.000 0.500 627 T N 3.216 117.795 114.554 0.042 0.000 2.802 627 T HA 0.280 4.630 4.350 0.001 0.000 0.305 627 T C 1.312 176.078 174.700 0.110 0.000 1.053 627 T CA -0.558 61.578 62.100 0.059 0.000 1.058 627 T CB 0.801 69.707 68.868 0.065 0.000 0.988 627 T HN 0.540 nan 8.240 nan 0.000 0.539 628 L N -0.054 121.209 121.223 0.067 0.000 2.191 628 L HA 0.087 4.427 4.340 0.001 0.000 0.212 628 L C 1.151 178.078 176.870 0.095 0.000 1.103 628 L CA 1.289 56.172 54.840 0.072 0.000 0.769 628 L CB -0.497 41.553 42.059 -0.015 0.000 0.908 628 L HN 0.679 nan 8.230 nan 0.000 0.438 629 K N -0.792 119.651 120.400 0.071 0.000 2.532 629 K HA 0.188 4.508 4.320 0.001 0.000 0.265 629 K C -1.063 175.580 176.600 0.071 0.000 0.948 629 K CA -0.920 55.405 56.287 0.064 0.000 0.842 629 K CB 2.065 34.594 32.500 0.049 0.000 1.392 629 K HN -0.220 nan 8.250 nan 0.000 0.436 630 D N 1.118 121.562 120.400 0.073 0.000 2.533 630 D HA -0.029 4.612 4.640 0.001 0.000 0.236 630 D C -0.327 176.045 176.300 0.121 0.000 1.137 630 D CA 0.980 55.044 54.000 0.106 0.000 0.867 630 D CB 0.878 41.730 40.800 0.088 0.000 1.170 630 D HN 0.440 nan 8.370 nan 0.000 0.474 631 T N 3.466 118.136 114.554 0.194 0.000 3.182 631 T HA 0.150 4.500 4.350 0.001 0.000 0.277 631 T C -0.370 174.287 174.700 -0.073 0.000 1.013 631 T CA -0.474 61.654 62.100 0.047 0.000 0.900 631 T CB 0.060 68.906 68.868 -0.036 0.000 1.098 631 T HN 0.350 nan 8.240 nan 0.000 0.543 632 W N 0.000 121.284 121.300 -0.027 0.000 2.388 632 W HA 0.000 4.660 4.660 0.001 0.000 0.303 632 W CA 0.000 57.331 57.345 -0.023 0.000 1.226 632 W CB 0.000 29.408 29.460 -0.087 0.000 1.126 632 W HN 0.000 nan 8.180 nan 0.000 0.535