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 1iss_1_B DATA FIRST_RESID 36 DATA SEQUENCE RSVARMDGDV IIGALFSVHH QPPAEKVPER KcGEIREQYG IQRVEAMFHT DATA SEQUENCE LDKINADPVL LPNITLGSEI RDScWHSSVA LEQSIEFIRD SLIXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXKP IAGVIGPGSS SVAIQVQNLL QLFDIPQIAY DATA SEQUENCE SATSIDLSDK TLYKYFLRVV PSDTLQARAM LDIVKRYNWT YVSAVHTEGN DATA SEQUENCE YGESGMDAFK ELAAQEGLCI AHSDKIYSNA GEKSFDRLLR KLRERLPKAR DATA SEQUENCE VVVCFCEGMT VRGLLSAMRR LGVVGEFSLI GSDGWADRDE VIEGYEVEAN DATA SEQUENCE GGITIKLQSP EVRSFDDYFL KLRLDTNTRN PWFPEFWQHR FQcRLPGHLL DATA SEQUENCE ENPNFKKVcT GNESLEENYV QDSKMGFVIN AIYAMAHGLQ NMHHALcPGH DATA SEQUENCE VGLcDAMKPI DGRKLLDFLI KSSFVGVSGE EVWFDEKGDA PGRYDIMNLQ DATA SEQUENCE YTEANRYDYV HVGTWHEGVL NIDDYKI 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 36 R HA 0.000 nan 4.340 nan 0.000 0.208 36 R C 0.000 176.319 176.300 0.032 0.000 0.893 36 R CA 0.000 56.117 56.100 0.028 0.000 0.921 36 R CB 0.000 30.316 30.300 0.027 0.000 0.687 37 S N 1.214 116.927 115.700 0.022 0.000 2.540 37 S HA 0.165 4.635 4.470 -0.000 0.000 0.272 37 S C 0.157 174.723 174.600 -0.057 0.000 1.357 37 S CA -0.331 57.814 58.200 -0.091 0.000 1.011 37 S CB 0.990 64.020 63.200 -0.283 0.000 0.852 37 S HN 0.355 nan 8.310 nan 0.000 0.535 38 V N 0.853 120.653 119.914 -0.190 0.000 2.697 38 V HA 0.598 4.717 4.120 -0.000 0.000 0.300 38 V C 0.261 176.300 176.094 -0.091 0.000 1.115 38 V CA -0.676 61.588 62.300 -0.060 0.000 0.912 38 V CB 1.236 33.047 31.823 -0.020 0.000 1.024 38 V HN 1.280 nan 8.190 nan 0.000 0.431 39 A N 5.046 127.907 122.820 0.068 0.000 2.425 39 A HA 0.817 5.137 4.320 -0.000 0.000 0.242 39 A C 0.178 177.909 177.584 0.245 0.000 1.077 39 A CA 0.170 52.352 52.037 0.242 0.000 0.781 39 A CB 0.466 19.832 19.000 0.610 0.000 1.020 39 A HN 0.876 nan 8.150 nan 0.000 0.494 40 R N 0.353 121.005 120.500 0.253 0.000 2.644 40 R HA 0.464 4.804 4.340 -0.000 0.000 0.257 40 R C -1.460 174.899 176.300 0.099 0.000 1.082 40 R CA -0.361 55.844 56.100 0.175 0.000 0.927 40 R CB 1.395 31.742 30.300 0.078 0.000 1.258 40 R HN 0.940 nan 8.270 nan 0.000 0.459 41 M N 2.269 121.926 119.600 0.094 0.000 2.572 41 M HA 0.435 4.915 4.480 -0.000 0.000 0.299 41 M C -1.535 174.775 176.300 0.016 0.000 1.205 41 M CA -0.567 54.732 55.300 -0.003 0.000 0.876 41 M CB 2.290 34.882 32.600 -0.013 0.000 1.728 41 M HN 0.623 nan 8.290 nan 0.000 0.458 42 D N 1.379 121.772 120.400 -0.012 0.000 2.277 42 D HA 0.840 5.479 4.640 -0.000 0.000 0.250 42 D C -0.499 175.797 176.300 -0.006 0.000 1.032 42 D CA 0.343 54.340 54.000 -0.004 0.000 0.947 42 D CB 1.806 42.598 40.800 -0.013 0.000 1.159 42 D HN 0.856 nan 8.370 nan 0.000 0.460 43 G N 0.740 109.538 108.800 -0.003 0.000 2.488 43 G HA2 0.107 4.066 3.960 -0.000 0.000 0.301 43 G HA3 0.107 4.066 3.960 -0.000 0.000 0.301 43 G C -0.220 174.673 174.900 -0.012 0.000 1.339 43 G CA -0.464 44.630 45.100 -0.010 0.000 0.803 43 G HN 0.419 nan 8.290 nan 0.000 0.482 44 D N -1.231 119.158 120.400 -0.020 0.000 2.162 44 D HA 0.042 4.682 4.640 -0.000 0.000 0.203 44 D C 0.745 177.033 176.300 -0.020 0.000 0.967 44 D CA 1.292 55.280 54.000 -0.021 0.000 0.840 44 D CB 0.685 41.467 40.800 -0.030 0.000 0.972 44 D HN 0.082 nan 8.370 nan 0.000 0.482 45 V N 2.593 122.492 119.914 -0.024 0.000 2.444 45 V HA 0.204 4.323 4.120 -0.000 0.000 0.294 45 V C -0.369 175.717 176.094 -0.012 0.000 1.022 45 V CA -0.730 61.556 62.300 -0.023 0.000 0.850 45 V CB 2.438 34.237 31.823 -0.039 0.000 0.992 45 V HN -0.059 nan 8.190 nan 0.000 0.426 46 I N 6.030 126.600 120.570 -0.001 0.000 2.315 46 I HA 0.457 4.627 4.170 -0.000 0.000 0.291 46 I C 0.063 176.185 176.117 0.010 0.000 1.006 46 I CA -0.546 60.766 61.300 0.019 0.000 1.265 46 I CB 1.315 39.341 38.000 0.043 0.000 1.387 46 I HN 0.412 nan 8.210 nan 0.000 0.475 47 I N 5.011 125.589 120.570 0.014 0.000 2.353 47 I HA 0.436 4.606 4.170 -0.000 0.000 0.293 47 I C 0.936 177.052 176.117 -0.002 0.000 0.992 47 I CA -0.271 61.018 61.300 -0.017 0.000 1.268 47 I CB 1.725 39.715 38.000 -0.016 0.000 1.387 47 I HN 0.653 nan 8.210 nan 0.000 0.478 48 G N 4.162 112.898 108.800 -0.107 0.000 2.451 48 G HA2 0.757 4.716 3.960 -0.000 0.000 0.303 48 G HA3 0.757 4.716 3.960 -0.000 0.000 0.303 48 G C -1.046 173.768 174.900 -0.142 0.000 1.166 48 G CA -0.367 44.668 45.100 -0.109 0.000 0.884 48 G HN 0.798 nan 8.290 nan 0.000 0.514 49 A N 0.369 123.188 122.820 -0.001 0.000 2.547 49 A HA 0.657 4.976 4.320 -0.000 0.000 0.297 49 A C -0.930 176.499 177.584 -0.258 0.000 1.056 49 A CA -0.547 51.312 52.037 -0.296 0.000 0.688 49 A CB 1.236 19.871 19.000 -0.608 0.000 1.282 49 A HN 0.671 nan 8.150 nan 0.000 0.400 50 L N 2.786 123.803 121.223 -0.344 0.000 2.581 50 L HA 0.395 4.735 4.340 -0.000 0.000 0.241 50 L C -1.282 175.561 176.870 -0.045 0.000 1.265 50 L CA -0.208 54.555 54.840 -0.128 0.000 0.954 50 L CB -0.069 41.988 42.059 -0.004 0.000 1.269 50 L HN 0.621 nan 8.230 nan 0.000 0.475 51 F N -0.351 119.668 119.950 0.115 0.000 2.370 51 F HA 0.206 4.733 4.527 -0.000 0.000 0.324 51 F C 1.292 177.141 175.800 0.082 0.000 1.116 51 F CA -0.994 57.069 58.000 0.104 0.000 1.123 51 F CB 1.212 40.216 39.000 0.006 0.000 1.238 51 F HN 0.029 nan 8.300 nan 0.000 0.536 52 S N 1.241 117.167 115.700 0.375 0.000 3.869 52 S HA 0.249 4.718 4.470 -0.000 0.000 0.241 52 S C 0.981 175.635 174.600 0.091 0.000 1.363 52 S CA -0.483 57.885 58.200 0.281 0.000 0.894 52 S CB -0.567 62.916 63.200 0.472 0.000 1.519 52 S HN 0.455 nan 8.310 nan 0.000 0.470 53 V N 3.915 123.825 119.914 -0.006 0.000 2.295 53 V HA -0.051 4.069 4.120 -0.000 0.000 0.246 53 V C 0.947 177.045 176.094 0.005 0.000 1.049 53 V CA 1.615 63.820 62.300 -0.158 0.000 1.024 53 V CB -0.678 30.823 31.823 -0.538 0.000 0.648 53 V HN 0.726 nan 8.190 nan 0.000 0.447 54 H N -2.616 116.391 119.070 -0.106 0.000 2.713 54 H HA 0.592 5.148 4.556 -0.000 0.000 0.340 54 H C -0.274 175.037 175.328 -0.029 0.000 1.271 54 H CA -1.172 54.859 56.048 -0.028 0.000 1.306 54 H CB 0.292 30.082 29.762 0.047 0.000 1.839 54 H HN 0.225 nan 8.280 nan 0.000 0.627 55 H N -0.384 118.745 119.070 0.098 0.000 2.544 55 H HA 0.155 4.711 4.556 -0.000 0.000 0.365 55 H C 0.151 175.542 175.328 0.106 0.000 1.268 55 H CA -0.415 55.656 56.048 0.038 0.000 1.400 55 H CB 0.663 30.414 29.762 -0.019 0.000 1.538 55 H HN 0.539 nan 8.280 nan 0.000 0.597 56 Q N 0.986 120.930 119.800 0.240 0.000 2.471 56 Q HA 0.314 4.654 4.340 -0.000 0.000 0.223 56 Q C -2.480 173.605 176.000 0.143 0.000 1.045 56 Q CA -1.926 54.009 55.803 0.220 0.000 0.956 56 Q CB -0.009 28.913 28.738 0.305 0.000 1.249 56 Q HN 0.297 nan 8.270 nan 0.000 0.549 57 P HA 0.175 nan 4.420 nan 0.000 0.271 57 P C -2.335 174.979 177.300 0.023 0.000 1.216 57 P CA -0.820 62.279 63.100 -0.002 0.000 0.776 57 P CB 0.281 31.911 31.700 -0.116 0.000 0.881 58 P HA -0.039 nan 4.420 nan 0.000 0.285 58 P C 0.655 177.972 177.300 0.029 0.000 1.282 58 P CA -0.017 63.102 63.100 0.031 0.000 0.778 58 P CB 0.207 31.919 31.700 0.019 0.000 1.222 59 A N 0.868 123.709 122.820 0.033 0.000 1.841 59 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 59 A C 1.813 179.412 177.584 0.024 0.000 1.199 59 A CA 2.065 54.125 52.037 0.037 0.000 0.621 59 A CB -1.462 17.557 19.000 0.032 0.000 0.835 59 A HN 0.673 nan 8.150 nan 0.000 0.445 60 E N -0.350 119.859 120.200 0.015 0.000 2.482 60 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 60 E C 0.776 177.377 176.600 0.002 0.000 1.047 60 E CA 0.692 57.098 56.400 0.010 0.000 0.869 60 E CB -0.176 29.529 29.700 0.009 0.000 0.836 60 E HN 0.404 nan 8.360 nan 0.000 0.520 61 K N 0.991 121.389 120.400 -0.004 0.000 2.444 61 K HA 0.137 4.456 4.320 -0.000 0.000 0.193 61 K C 1.820 178.396 176.600 -0.040 0.000 1.024 61 K CA 0.113 56.392 56.287 -0.014 0.000 1.077 61 K CB 0.297 32.792 32.500 -0.008 0.000 0.833 61 K HN 0.044 nan 8.250 nan 0.000 0.517 62 V N 1.665 121.550 119.914 -0.049 0.000 2.407 62 V HA -0.168 3.951 4.120 -0.000 0.000 0.248 62 V C -0.773 175.288 176.094 -0.055 0.000 1.055 62 V CA 1.671 63.914 62.300 -0.095 0.000 1.049 62 V CB -1.155 30.641 31.823 -0.045 0.000 0.662 62 V HN 0.180 nan 8.190 nan 0.000 0.455 63 P HA -0.163 nan 4.420 nan 0.000 0.214 63 P C 1.579 178.875 177.300 -0.008 0.000 1.162 63 P CA 1.464 64.562 63.100 -0.004 0.000 0.879 63 P CB -0.111 31.592 31.700 0.004 0.000 0.786 64 E N -0.344 119.850 120.200 -0.010 0.000 2.482 64 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 64 E C 0.202 176.794 176.600 -0.014 0.000 1.047 64 E CA 0.035 56.431 56.400 -0.007 0.000 0.869 64 E CB -0.502 29.197 29.700 -0.002 0.000 0.836 64 E HN 0.016 nan 8.360 nan 0.000 0.520 65 R N 0.723 121.204 120.500 -0.031 0.000 3.651 65 R HA -0.168 4.172 4.340 -0.000 0.000 0.292 65 R C -0.397 175.883 176.300 -0.033 0.000 1.161 65 R CA 0.980 57.051 56.100 -0.047 0.000 0.787 65 R CB -1.850 28.433 30.300 -0.027 0.000 1.249 65 R HN 0.301 nan 8.270 nan 0.000 0.476 66 K N 1.203 121.589 120.400 -0.023 0.000 2.312 66 K HA 0.224 4.544 4.320 -0.000 0.000 0.287 66 K C 0.293 176.896 176.600 0.005 0.000 1.062 66 K CA -0.445 55.840 56.287 -0.003 0.000 0.934 66 K CB 0.673 33.178 32.500 0.009 0.000 1.027 66 K HN 0.173 nan 8.250 nan 0.000 0.478 67 c N 2.842 121.454 118.600 0.020 0.000 2.574 67 c HA 0.509 5.079 4.570 -0.000 0.000 0.335 67 c C 1.407 175.569 174.090 0.119 0.000 1.493 67 c CA -0.602 55.766 56.329 0.064 0.000 2.217 67 c CB 0.435 42.980 42.510 0.057 0.000 2.056 67 c HN 1.029 nan 8.230 nan 0.000 0.607 68 G N -0.475 108.433 108.800 0.179 0.000 2.606 68 G HA2 0.519 4.478 3.960 -0.000 0.000 0.262 68 G HA3 0.519 4.478 3.960 -0.000 0.000 0.262 68 G C -0.623 174.399 174.900 0.204 0.000 1.394 68 G CA -0.408 44.790 45.100 0.163 0.000 1.044 68 G HN 0.890 nan 8.290 nan 0.000 0.553 69 E N -0.775 119.481 120.200 0.093 0.000 2.383 69 E HA 0.264 4.614 4.350 -0.000 0.000 0.264 69 E C 0.337 176.906 176.600 -0.052 0.000 1.050 69 E CA -0.627 55.788 56.400 0.024 0.000 0.896 69 E CB 1.440 31.124 29.700 -0.025 0.000 0.982 69 E HN 0.411 nan 8.360 nan 0.000 0.424 70 I N 1.215 121.589 120.570 -0.328 0.000 3.205 70 I HA -0.087 4.083 4.170 -0.000 0.000 0.287 70 I C -0.127 175.807 176.117 -0.305 0.000 1.266 70 I CA 0.376 61.365 61.300 -0.518 0.000 1.378 70 I CB 0.288 38.024 38.000 -0.439 0.000 1.347 70 I HN 0.613 nan 8.210 nan 0.000 0.603 71 R N 4.971 125.303 120.500 -0.280 0.000 2.621 71 R HA 0.216 4.556 4.340 -0.000 0.000 0.284 71 R C -0.048 176.093 176.300 -0.265 0.000 0.998 71 R CA -0.665 55.297 56.100 -0.231 0.000 0.895 71 R CB 1.905 32.034 30.300 -0.284 0.000 1.195 71 R HN 0.682 nan 8.270 nan 0.000 0.450 72 E N 1.991 122.057 120.200 -0.222 0.000 2.038 72 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 72 E C 0.571 177.050 176.600 -0.202 0.000 0.967 72 E CA 0.989 57.208 56.400 -0.301 0.000 0.816 72 E CB 0.324 29.961 29.700 -0.105 0.000 0.784 72 E HN 0.559 nan 8.360 nan 0.000 0.456 73 Q N 0.270 120.001 119.800 -0.115 0.000 1.914 73 Q HA -0.236 4.104 4.340 -0.000 0.000 0.222 73 Q C 1.847 177.856 176.000 0.015 0.000 1.031 73 Q CA 2.386 58.167 55.803 -0.038 0.000 0.886 73 Q CB -0.958 27.797 28.738 0.029 0.000 0.982 73 Q HN 0.399 nan 8.270 nan 0.000 0.417 74 Y N 0.012 120.154 120.300 -0.264 0.000 2.529 74 Y HA 0.277 4.826 4.550 -0.000 0.000 0.290 74 Y C 1.514 177.281 175.900 -0.222 0.000 1.177 74 Y CA 0.289 58.247 58.100 -0.238 0.000 1.305 74 Y CB -0.393 37.923 38.460 -0.241 0.000 1.047 74 Y HN 0.287 nan 8.280 nan 0.000 0.522 75 G N -0.857 107.874 108.800 -0.115 0.000 2.542 75 G HA2 0.090 4.050 3.960 -0.000 0.000 0.208 75 G HA3 0.090 4.050 3.960 -0.000 0.000 0.208 75 G C 1.244 176.006 174.900 -0.231 0.000 1.976 75 G CA -0.029 44.964 45.100 -0.179 0.000 0.722 75 G HN -0.044 nan 8.290 nan 0.000 0.798 76 I N 1.355 121.762 120.570 -0.273 0.000 2.227 76 I HA -0.282 3.888 4.170 -0.000 0.000 0.250 76 I C 2.691 178.791 176.117 -0.029 0.000 1.087 76 I CA 1.714 62.907 61.300 -0.178 0.000 1.352 76 I CB -0.858 36.850 38.000 -0.487 0.000 1.043 76 I HN 0.413 nan 8.210 nan 0.000 0.425 77 Q N -0.439 119.285 119.800 -0.127 0.000 2.079 77 Q HA -0.155 4.184 4.340 -0.000 0.000 0.200 77 Q C 2.409 178.290 176.000 -0.199 0.000 0.974 77 Q CA 1.071 56.817 55.803 -0.095 0.000 0.840 77 Q CB 0.089 28.652 28.738 -0.292 0.000 0.898 77 Q HN 0.364 nan 8.270 nan 0.000 0.430 78 R N -0.281 119.961 120.500 -0.430 0.000 2.070 78 R HA -0.121 4.218 4.340 -0.000 0.000 0.233 78 R C 2.290 178.181 176.300 -0.682 0.000 1.137 78 R CA 1.193 56.776 56.100 -0.862 0.000 0.945 78 R CB -1.139 28.421 30.300 -1.232 0.000 0.845 78 R HN 0.191 nan 8.270 nan 0.000 0.430 79 V N 1.931 121.678 119.914 -0.278 0.000 2.219 79 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 79 V C 2.463 178.441 176.094 -0.193 0.000 1.053 79 V CA 1.911 64.187 62.300 -0.040 0.000 1.009 79 V CB -0.464 31.378 31.823 0.032 0.000 0.636 79 V HN 0.262 nan 8.190 nan 0.000 0.445 80 E N 0.019 120.240 120.200 0.035 0.000 2.147 80 E HA -0.264 4.085 4.350 -0.000 0.000 0.199 80 E C 2.302 179.116 176.600 0.357 0.000 1.005 80 E CA 1.661 58.225 56.400 0.273 0.000 0.810 80 E CB -0.722 29.291 29.700 0.522 0.000 0.736 80 E HN 0.592 nan 8.360 nan 0.000 0.460 81 A N 1.042 124.069 122.820 0.345 0.000 1.873 81 A HA -0.278 4.041 4.320 -0.000 0.000 0.218 81 A C 2.259 179.939 177.584 0.162 0.000 1.193 81 A CA 2.336 54.573 52.037 0.333 0.000 0.629 81 A CB -0.653 18.319 19.000 -0.046 0.000 0.826 81 A HN 0.283 nan 8.150 nan 0.000 0.447 82 M N -0.549 119.091 119.600 0.066 0.000 2.706 82 M HA -0.232 4.248 4.480 -0.000 0.000 0.266 82 M C 1.909 178.313 176.300 0.173 0.000 1.060 82 M CA 2.273 57.643 55.300 0.116 0.000 1.070 82 M CB -1.018 31.654 32.600 0.119 0.000 1.241 82 M HN 0.479 nan 8.290 nan 0.000 0.488 83 F N -1.305 118.738 119.950 0.154 0.000 2.039 83 F HA -0.439 4.088 4.527 -0.000 0.000 0.296 83 F C 2.506 178.285 175.800 -0.034 0.000 1.119 83 F CA 1.621 59.676 58.000 0.091 0.000 1.211 83 F CB -1.193 37.910 39.000 0.172 0.000 0.956 83 F HN 0.487 nan 8.300 nan 0.000 0.496 84 H N 0.231 119.279 119.070 -0.037 0.000 2.257 84 H HA -0.193 4.362 4.556 -0.000 0.000 0.292 84 H C 2.170 177.382 175.328 -0.193 0.000 1.075 84 H CA 2.825 58.620 56.048 -0.422 0.000 1.212 84 H CB -0.913 28.403 29.762 -0.742 0.000 1.354 84 H HN 0.053 nan 8.280 nan 0.000 0.497 85 T N 0.977 115.426 114.554 -0.176 0.000 2.680 85 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 85 T C 2.275 176.782 174.700 -0.321 0.000 1.033 85 T CA 1.808 63.728 62.100 -0.300 0.000 1.152 85 T CB -0.502 68.229 68.868 -0.228 0.000 0.859 85 T HN 0.242 nan 8.240 nan 0.000 0.452 86 L N 0.487 121.614 121.223 -0.160 0.000 2.093 86 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 86 L C 2.588 179.383 176.870 -0.125 0.000 1.085 86 L CA 1.186 55.962 54.840 -0.106 0.000 0.755 86 L CB -0.454 41.620 42.059 0.024 0.000 0.904 86 L HN 0.197 nan 8.230 nan 0.000 0.435 87 D N 0.054 120.364 120.400 -0.149 0.000 2.117 87 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 87 D C 2.165 178.363 176.300 -0.169 0.000 0.987 87 D CA 1.167 55.083 54.000 -0.141 0.000 0.829 87 D CB 0.033 40.749 40.800 -0.140 0.000 0.961 87 D HN 0.244 nan 8.370 nan 0.000 0.460 88 K N 0.285 120.519 120.400 -0.277 0.000 2.057 88 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 88 K C 2.321 178.869 176.600 -0.086 0.000 1.049 88 K CA 0.651 56.818 56.287 -0.200 0.000 0.931 88 K CB -0.007 32.333 32.500 -0.267 0.000 0.714 88 K HN 0.133 nan 8.250 nan 0.000 0.440 89 I N 1.269 121.769 120.570 -0.116 0.000 2.163 89 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 89 I C 1.937 178.022 176.117 -0.053 0.000 1.081 89 I CA 1.004 62.273 61.300 -0.051 0.000 1.353 89 I CB -0.405 37.523 38.000 -0.120 0.000 1.054 89 I HN 0.199 nan 8.210 nan 0.000 0.407 90 N N 1.207 119.864 118.700 -0.072 0.000 2.149 90 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 90 N C 1.824 177.309 175.510 -0.043 0.000 1.019 90 N CA 1.686 54.702 53.050 -0.057 0.000 0.857 90 N CB -0.223 38.231 38.487 -0.056 0.000 0.997 90 N HN 0.375 nan 8.380 nan 0.000 0.426 91 A N 0.619 123.414 122.820 -0.042 0.000 2.066 91 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 91 A C 0.989 178.564 177.584 -0.015 0.000 1.157 91 A CA 0.235 52.256 52.037 -0.027 0.000 0.670 91 A CB -0.192 18.791 19.000 -0.028 0.000 0.804 91 A HN 0.184 nan 8.150 nan 0.000 0.453 92 D N 0.205 120.597 120.400 -0.012 0.000 2.455 92 D HA 0.070 4.710 4.640 -0.000 0.000 0.241 92 D C -1.611 174.686 176.300 -0.005 0.000 1.138 92 D CA -0.872 53.128 54.000 0.001 0.000 0.877 92 D CB 1.199 42.006 40.800 0.013 0.000 1.187 92 D HN 0.158 nan 8.370 nan 0.000 0.451 93 P HA 0.038 nan 4.420 nan 0.000 0.257 93 P C 1.105 178.413 177.300 0.012 0.000 1.241 93 P CA -0.028 63.075 63.100 0.006 0.000 0.816 93 P CB 0.919 32.625 31.700 0.010 0.000 1.150 94 V N -0.172 119.751 119.914 0.015 0.000 2.690 94 V HA 0.067 4.187 4.120 -0.000 0.000 0.240 94 V C 1.187 177.296 176.094 0.026 0.000 1.078 94 V CA 0.362 62.681 62.300 0.030 0.000 1.102 94 V CB -0.230 31.616 31.823 0.038 0.000 0.800 94 V HN 0.021 nan 8.190 nan 0.000 0.479 95 L N 0.952 122.167 121.223 -0.014 0.000 2.349 95 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 95 L C 0.079 176.902 176.870 -0.077 0.000 1.115 95 L CA -0.216 54.580 54.840 -0.073 0.000 0.820 95 L CB 0.114 42.092 42.059 -0.136 0.000 1.135 95 L HN 0.272 nan 8.230 nan 0.000 0.445 96 L N 6.957 128.111 121.223 -0.114 0.000 3.852 96 L HA -0.285 4.055 4.340 -0.000 0.000 0.543 96 L C -1.460 175.351 176.870 -0.098 0.000 1.068 96 L CA -0.445 54.309 54.840 -0.143 0.000 0.810 96 L CB -0.697 41.268 42.059 -0.156 0.000 1.103 96 L HN 0.690 nan 8.230 nan 0.000 0.743 97 P HA -0.154 nan 4.420 nan 0.000 0.205 97 P C 0.315 177.587 177.300 -0.047 0.000 1.181 97 P CA 1.566 64.644 63.100 -0.037 0.000 0.933 97 P CB 0.145 31.840 31.700 -0.008 0.000 0.775 98 N N -0.841 117.825 118.700 -0.056 0.000 2.671 98 N HA 0.290 5.029 4.740 -0.000 0.000 0.303 98 N C -0.649 174.822 175.510 -0.066 0.000 1.351 98 N CA 0.106 53.129 53.050 -0.044 0.000 0.991 98 N CB -0.332 38.147 38.487 -0.014 0.000 1.307 98 N HN 0.147 nan 8.380 nan 0.000 0.512 99 I N 0.684 121.200 120.570 -0.090 0.000 2.649 99 I HA 0.102 4.271 4.170 -0.000 0.000 0.275 99 I C 0.091 176.161 176.117 -0.078 0.000 1.153 99 I CA -0.751 60.492 61.300 -0.096 0.000 1.069 99 I CB 0.957 38.865 38.000 -0.154 0.000 1.227 99 I HN 0.105 nan 8.210 nan 0.000 0.505 100 T N 3.250 117.771 114.554 -0.055 0.000 2.946 100 T HA 0.222 4.572 4.350 -0.000 0.000 0.312 100 T C -0.189 174.483 174.700 -0.047 0.000 1.066 100 T CA -0.019 62.053 62.100 -0.047 0.000 1.138 100 T CB 1.216 70.063 68.868 -0.034 0.000 1.014 100 T HN 0.343 nan 8.240 nan 0.000 0.544 101 L N 2.827 124.024 121.223 -0.044 0.000 2.305 101 L HA 0.646 4.986 4.340 -0.000 0.000 0.284 101 L C 0.848 177.710 176.870 -0.013 0.000 1.013 101 L CA -0.746 54.072 54.840 -0.037 0.000 0.819 101 L CB 1.419 43.447 42.059 -0.050 0.000 1.227 101 L HN 1.060 nan 8.230 nan 0.000 0.417 102 G N 1.601 110.402 108.800 0.002 0.000 2.820 102 G HA2 0.759 4.719 3.960 -0.000 0.000 0.291 102 G HA3 0.759 4.719 3.960 -0.000 0.000 0.291 102 G C -1.026 173.911 174.900 0.061 0.000 1.323 102 G CA -0.315 44.803 45.100 0.030 0.000 1.055 102 G HN 0.590 nan 8.290 nan 0.000 0.520 103 S N -1.655 114.107 115.700 0.104 0.000 2.567 103 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 103 S C -1.530 173.177 174.600 0.178 0.000 1.152 103 S CA -0.812 57.471 58.200 0.138 0.000 0.835 103 S CB 2.322 65.621 63.200 0.166 0.000 1.115 103 S HN 0.648 nan 8.310 nan 0.000 0.459 104 E N 0.857 121.177 120.200 0.199 0.000 2.220 104 E HA 0.504 4.853 4.350 -0.000 0.000 0.256 104 E C -1.580 175.164 176.600 0.240 0.000 0.881 104 E CA -0.647 55.882 56.400 0.214 0.000 0.766 104 E CB 0.928 30.764 29.700 0.227 0.000 1.187 104 E HN 0.595 nan 8.360 nan 0.000 0.419 105 I N 4.413 125.110 120.570 0.212 0.000 2.312 105 I HA 0.312 4.482 4.170 -0.000 0.000 0.290 105 I C 0.144 176.396 176.117 0.226 0.000 1.008 105 I CA -0.105 61.301 61.300 0.176 0.000 1.226 105 I CB 1.022 39.154 38.000 0.220 0.000 1.371 105 I HN 0.273 nan 8.210 nan 0.000 0.468 106 R N 3.080 123.655 120.500 0.125 0.000 2.732 106 R HA 0.401 4.741 4.340 -0.000 0.000 0.278 106 R C -0.882 175.492 176.300 0.122 0.000 0.976 106 R CA -1.118 55.053 56.100 0.119 0.000 0.963 106 R CB 1.438 31.688 30.300 -0.084 0.000 1.150 106 R HN 0.410 nan 8.270 nan 0.000 0.478 107 D N 0.450 120.948 120.400 0.163 0.000 2.343 107 D HA 0.005 4.645 4.640 -0.000 0.000 0.255 107 D C 0.768 177.119 176.300 0.085 0.000 1.187 107 D CA 0.186 54.237 54.000 0.085 0.000 0.875 107 D CB 1.193 42.048 40.800 0.092 0.000 1.136 107 D HN 0.528 nan 8.370 nan 0.000 0.469 108 S N 1.744 117.507 115.700 0.105 0.000 2.470 108 S HA -0.051 4.419 4.470 -0.000 0.000 0.222 108 S C 1.384 176.076 174.600 0.153 0.000 1.024 108 S CA 0.277 58.548 58.200 0.118 0.000 0.931 108 S CB -0.438 62.835 63.200 0.121 0.000 0.791 108 S HN 0.692 nan 8.310 nan 0.000 0.513 109 c N 0.987 119.694 118.600 0.178 0.000 4.356 109 c HA -0.143 4.427 4.570 -0.000 0.000 0.296 109 c C 0.731 175.026 174.090 0.341 0.000 1.424 109 c CA 0.336 56.792 56.329 0.212 0.000 2.000 109 c CB -3.121 39.475 42.510 0.143 0.000 1.262 109 c HN 0.880 nan 8.230 nan 0.000 0.789 110 W N -0.088 121.273 121.300 0.102 0.000 6.502 110 W HA -0.221 4.439 4.660 -0.000 0.000 0.383 110 W C 0.251 176.852 176.519 0.137 0.000 1.377 110 W CA 2.089 59.496 57.345 0.104 0.000 1.064 110 W CB -1.037 28.468 29.460 0.075 0.000 2.497 110 W HN 0.847 nan 8.180 nan 0.000 1.636 111 H N 0.038 119.181 119.070 0.121 0.000 2.759 111 H HA 0.158 4.713 4.556 -0.000 0.000 0.354 111 H C 1.318 176.659 175.328 0.022 0.000 1.074 111 H CA 0.653 56.748 56.048 0.077 0.000 1.226 111 H CB 1.728 31.557 29.762 0.111 0.000 1.648 111 H HN -0.087 nan 8.280 nan 0.000 0.529 112 S N 2.838 118.446 115.700 -0.154 0.000 2.380 112 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 112 S C 1.749 176.430 174.600 0.135 0.000 1.043 112 S CA 1.941 60.120 58.200 -0.035 0.000 1.038 112 S CB -0.210 62.923 63.200 -0.111 0.000 0.872 112 S HN 0.498 nan 8.310 nan 0.000 0.456 113 S N 1.162 117.082 115.700 0.367 0.000 2.348 113 S HA -0.049 4.420 4.470 -0.000 0.000 0.221 113 S C 1.998 176.689 174.600 0.151 0.000 1.033 113 S CA 1.459 59.809 58.200 0.250 0.000 1.010 113 S CB -0.677 62.669 63.200 0.242 0.000 0.891 113 S HN 0.484 nan 8.310 nan 0.000 0.442 114 V N 2.086 122.094 119.914 0.157 0.000 2.307 114 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 114 V C 2.654 178.800 176.094 0.085 0.000 1.045 114 V CA 1.582 63.936 62.300 0.089 0.000 1.024 114 V CB -1.351 30.520 31.823 0.080 0.000 0.651 114 V HN 0.530 nan 8.190 nan 0.000 0.449 115 A N -0.180 122.700 122.820 0.099 0.000 1.927 115 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 115 A C 2.170 179.800 177.584 0.076 0.000 1.185 115 A CA 2.216 54.298 52.037 0.075 0.000 0.639 115 A CB -0.613 18.411 19.000 0.040 0.000 0.820 115 A HN 0.412 nan 8.150 nan 0.000 0.451 116 L N -0.428 120.839 121.223 0.073 0.000 2.005 116 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 116 L C 2.409 179.317 176.870 0.062 0.000 1.072 116 L CA 2.237 57.119 54.840 0.071 0.000 0.744 116 L CB -0.922 41.178 42.059 0.069 0.000 0.895 116 L HN 0.610 nan 8.230 nan 0.000 0.433 117 E N -0.940 119.291 120.200 0.053 0.000 2.086 117 E HA -0.315 4.035 4.350 -0.000 0.000 0.205 117 E C 2.085 178.691 176.600 0.011 0.000 1.027 117 E CA 1.769 58.186 56.400 0.029 0.000 0.830 117 E CB 0.077 29.792 29.700 0.024 0.000 0.751 117 E HN 0.452 nan 8.360 nan 0.000 0.456 118 Q N 0.250 120.057 119.800 0.012 0.000 2.002 118 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 118 Q C 2.443 178.447 176.000 0.006 0.000 0.988 118 Q CA 1.505 57.285 55.803 -0.038 0.000 0.843 118 Q CB -0.822 27.904 28.738 -0.019 0.000 0.908 118 Q HN 0.184 nan 8.270 nan 0.000 0.420 119 S N 0.904 116.693 115.700 0.149 0.000 2.400 119 S HA -0.184 4.286 4.470 -0.000 0.000 0.234 119 S C 1.908 176.603 174.600 0.158 0.000 1.049 119 S CA 1.032 59.395 58.200 0.272 0.000 1.039 119 S CB -0.257 63.041 63.200 0.162 0.000 0.856 119 S HN 0.227 nan 8.310 nan 0.000 0.465 120 I N 1.871 122.474 120.570 0.055 0.000 2.076 120 I HA -0.144 4.026 4.170 -0.000 0.000 0.237 120 I C 2.488 178.582 176.117 -0.039 0.000 1.059 120 I CA 1.452 62.746 61.300 -0.010 0.000 1.317 120 I CB -1.556 36.436 38.000 -0.014 0.000 1.037 120 I HN 0.228 nan 8.210 nan 0.000 0.398 121 E N 0.377 120.539 120.200 -0.063 0.000 2.136 121 E HA -0.266 4.084 4.350 -0.000 0.000 0.202 121 E C 2.204 178.762 176.600 -0.070 0.000 1.019 121 E CA 1.394 57.728 56.400 -0.109 0.000 0.819 121 E CB -0.679 28.906 29.700 -0.191 0.000 0.739 121 E HN 0.350 nan 8.360 nan 0.000 0.458 122 F N 0.954 120.858 119.950 -0.077 0.000 2.011 122 F HA -0.218 4.309 4.527 -0.000 0.000 0.296 122 F C 2.573 178.294 175.800 -0.132 0.000 1.144 122 F CA 1.705 59.653 58.000 -0.086 0.000 1.185 122 F CB -1.175 37.780 39.000 -0.075 0.000 0.961 122 F HN 0.077 nan 8.300 nan 0.000 0.485 123 I N -0.710 119.874 120.570 0.025 0.000 2.127 123 I HA -0.312 3.857 4.170 -0.000 0.000 0.241 123 I C 2.550 178.524 176.117 -0.239 0.000 1.075 123 I CA 2.156 63.319 61.300 -0.227 0.000 1.334 123 I CB -0.928 36.687 38.000 -0.642 0.000 1.040 123 I HN 0.134 nan 8.210 nan 0.000 0.405 124 R N 1.816 122.188 120.500 -0.213 0.000 2.080 124 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 124 R C 2.288 178.537 176.300 -0.084 0.000 1.137 124 R CA 2.706 58.714 56.100 -0.153 0.000 0.943 124 R CB -1.319 28.912 30.300 -0.115 0.000 0.846 124 R HN 0.586 nan 8.270 nan 0.000 0.431 125 D N -0.249 120.117 120.400 -0.056 0.000 2.149 125 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 125 D C 2.127 178.414 176.300 -0.022 0.000 1.001 125 D CA 2.413 56.394 54.000 -0.031 0.000 0.849 125 D CB -1.025 39.764 40.800 -0.019 0.000 0.939 125 D HN 0.688 nan 8.370 nan 0.000 0.449 126 S N -0.248 115.440 115.700 -0.020 0.000 2.343 126 S HA 0.218 4.688 4.470 -0.000 0.000 0.219 126 S C 2.663 177.245 174.600 -0.031 0.000 1.033 126 S CA 3.119 61.308 58.200 -0.020 0.000 1.014 126 S CB -1.113 62.073 63.200 -0.023 0.000 0.915 126 S HN 1.510 nan 8.310 nan 0.000 0.435 127 L N 0.656 121.841 121.223 -0.064 0.000 2.357 127 L HA 0.375 4.715 4.340 -0.000 0.000 0.220 127 L C 1.645 178.506 176.870 -0.015 0.000 1.123 127 L CA 2.049 56.867 54.840 -0.037 0.000 0.782 127 L CB -2.304 39.712 42.059 -0.071 0.000 0.910 127 L HN 0.912 nan 8.230 nan 0.000 0.442 155 P HA 0.408 nan 4.420 nan 0.000 0.282 155 P C -0.509 176.803 177.300 0.021 0.000 1.259 155 P CA -0.717 62.393 63.100 0.017 0.000 0.826 155 P CB 0.803 32.506 31.700 0.004 0.000 1.064 156 I N 1.278 121.865 120.570 0.027 0.000 2.529 156 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 156 I C 1.480 177.566 176.117 -0.052 0.000 1.082 156 I CA -0.059 61.238 61.300 -0.006 0.000 1.406 156 I CB 0.542 38.514 38.000 -0.046 0.000 1.405 156 I HN 0.569 nan 8.210 nan 0.000 0.548 157 A N 4.809 127.593 122.820 -0.060 0.000 2.115 157 A HA 0.555 4.875 4.320 -0.000 0.000 0.211 157 A C 0.930 178.460 177.584 -0.090 0.000 1.169 157 A CA 0.756 52.757 52.037 -0.060 0.000 0.787 157 A CB 0.145 19.120 19.000 -0.041 0.000 0.858 157 A HN 0.852 nan 8.150 nan 0.000 0.474 158 G N -2.114 106.605 108.800 -0.134 0.000 2.523 158 G HA2 0.483 4.443 3.960 -0.000 0.000 0.291 158 G HA3 0.483 4.443 3.960 -0.000 0.000 0.291 158 G C -1.869 172.877 174.900 -0.257 0.000 1.450 158 G CA -0.234 44.765 45.100 -0.169 0.000 0.790 158 G HN 0.387 nan 8.290 nan 0.000 0.496 159 V N 1.159 120.906 119.914 -0.278 0.000 2.656 159 V HA 0.576 4.696 4.120 -0.000 0.000 0.307 159 V C -0.571 175.380 176.094 -0.238 0.000 1.051 159 V CA -0.853 61.241 62.300 -0.344 0.000 0.893 159 V CB 1.761 33.309 31.823 -0.459 0.000 0.999 159 V HN 0.628 nan 8.190 nan 0.000 0.426 160 I N 3.572 124.022 120.570 -0.201 0.000 2.412 160 I HA 0.838 5.008 4.170 -0.000 0.000 0.296 160 I C 0.695 176.731 176.117 -0.135 0.000 0.987 160 I CA 0.253 61.489 61.300 -0.106 0.000 1.180 160 I CB 0.759 38.772 38.000 0.021 0.000 1.340 160 I HN 0.908 nan 8.210 nan 0.000 0.455 161 G N 7.715 116.400 108.800 -0.191 0.000 2.610 161 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.304 161 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.304 161 G C -3.136 171.589 174.900 -0.292 0.000 1.309 161 G CA -0.873 44.060 45.100 -0.279 0.000 0.906 161 G HN 0.497 nan 8.290 nan 0.000 0.521 162 P HA 0.385 nan 4.420 nan 0.000 0.279 162 P C 1.276 178.384 177.300 -0.320 0.000 1.276 162 P CA 0.590 63.578 63.100 -0.186 0.000 0.801 162 P CB 0.843 32.443 31.700 -0.166 0.000 1.127 163 G N 0.196 108.853 108.800 -0.239 0.000 2.524 163 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 163 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 163 G C 0.789 175.358 174.900 -0.553 0.000 1.239 163 G CA 0.624 45.557 45.100 -0.278 0.000 0.798 163 G HN 0.651 nan 8.290 nan 0.000 0.557 164 S N 0.145 115.153 115.700 -1.153 0.000 2.537 164 S HA 0.224 4.694 4.470 -0.000 0.000 0.286 164 S C 1.731 176.096 174.600 -0.393 0.000 1.299 164 S CA 0.408 58.148 58.200 -0.767 0.000 1.067 164 S CB 0.939 63.501 63.200 -1.063 0.000 0.864 164 S HN 0.256 nan 8.310 nan 0.000 0.494 165 S N 4.028 119.595 115.700 -0.221 0.000 2.370 165 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 165 S C 2.214 176.703 174.600 -0.185 0.000 1.033 165 S CA 1.514 59.612 58.200 -0.169 0.000 1.011 165 S CB -0.635 62.497 63.200 -0.114 0.000 0.852 165 S HN 0.884 nan 8.310 nan 0.000 0.457 166 S N 0.853 116.457 115.700 -0.161 0.000 2.383 166 S HA -0.112 4.357 4.470 -0.000 0.000 0.229 166 S C 1.824 176.324 174.600 -0.165 0.000 1.030 166 S CA 1.453 59.573 58.200 -0.133 0.000 1.002 166 S CB -0.372 62.770 63.200 -0.096 0.000 0.829 166 S HN 0.310 nan 8.310 nan 0.000 0.467 167 V N 2.151 121.927 119.914 -0.229 0.000 2.239 167 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 167 V C 2.968 178.962 176.094 -0.166 0.000 1.038 167 V CA 1.537 63.707 62.300 -0.216 0.000 1.002 167 V CB -1.626 30.009 31.823 -0.314 0.000 0.641 167 V HN 0.608 nan 8.190 nan 0.000 0.449 168 A N -0.055 122.657 122.820 -0.182 0.000 1.985 168 A HA -0.300 4.020 4.320 -0.000 0.000 0.223 168 A C 2.178 179.704 177.584 -0.098 0.000 1.189 168 A CA 2.503 54.483 52.037 -0.097 0.000 0.658 168 A CB -0.766 18.229 19.000 -0.009 0.000 0.820 168 A HN 0.538 nan 8.150 nan 0.000 0.464 169 I N -1.744 118.703 120.570 -0.204 0.000 2.113 169 I HA -0.292 3.878 4.170 -0.000 0.000 0.238 169 I C 2.803 178.866 176.117 -0.090 0.000 1.070 169 I CA 1.956 63.080 61.300 -0.295 0.000 1.332 169 I CB -0.474 37.357 38.000 -0.283 0.000 1.044 169 I HN 0.374 nan 8.210 nan 0.000 0.402 170 Q N 0.487 120.255 119.800 -0.054 0.000 2.077 170 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 170 Q C 2.119 178.133 176.000 0.023 0.000 0.989 170 Q CA 2.046 57.849 55.803 0.000 0.000 0.853 170 Q CB -0.361 28.366 28.738 -0.018 0.000 0.907 170 Q HN 0.357 nan 8.270 nan 0.000 0.418 171 V N 0.180 120.094 119.914 -0.000 0.000 2.407 171 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 171 V C 2.259 178.384 176.094 0.052 0.000 1.055 171 V CA 2.035 64.348 62.300 0.021 0.000 1.049 171 V CB -0.664 31.151 31.823 -0.013 0.000 0.662 171 V HN 0.439 nan 8.190 nan 0.000 0.455 172 Q N 0.795 120.633 119.800 0.063 0.000 2.170 172 Q HA -0.191 4.149 4.340 -0.000 0.000 0.203 172 Q C 1.846 177.947 176.000 0.168 0.000 0.976 172 Q CA 2.290 58.172 55.803 0.132 0.000 0.858 172 Q CB -0.505 28.322 28.738 0.148 0.000 0.907 172 Q HN 0.786 nan 8.270 nan 0.000 0.433 173 N N -0.721 118.073 118.700 0.156 0.000 2.106 173 N HA -0.140 4.599 4.740 -0.000 0.000 0.188 173 N C 1.367 176.951 175.510 0.123 0.000 1.029 173 N CA 1.054 54.194 53.050 0.151 0.000 0.848 173 N CB -0.163 38.403 38.487 0.132 0.000 1.007 173 N HN 0.216 nan 8.380 nan 0.000 0.423 174 L N 0.993 122.291 121.223 0.126 0.000 2.376 174 L HA 0.062 4.402 4.340 -0.000 0.000 0.219 174 L C 1.471 178.473 176.870 0.221 0.000 1.133 174 L CA 1.137 56.078 54.840 0.169 0.000 0.816 174 L CB -0.125 42.025 42.059 0.151 0.000 0.933 174 L HN 0.215 nan 8.230 nan 0.000 0.449 175 L N -0.915 120.397 121.223 0.149 0.000 2.249 175 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 175 L C 2.428 179.339 176.870 0.069 0.000 1.090 175 L CA 0.824 55.734 54.840 0.116 0.000 0.802 175 L CB -0.282 41.795 42.059 0.030 0.000 0.947 175 L HN 0.462 nan 8.230 nan 0.000 0.453 176 Q N 0.065 119.928 119.800 0.105 0.000 2.435 176 Q HA -0.082 4.258 4.340 -0.000 0.000 0.207 176 Q C 1.757 177.764 176.000 0.012 0.000 0.956 176 Q CA 0.825 56.717 55.803 0.149 0.000 0.917 176 Q CB -0.054 28.887 28.738 0.339 0.000 0.997 176 Q HN 0.514 nan 8.270 nan 0.000 0.497 177 L N -0.516 120.641 121.223 -0.109 0.000 2.478 177 L HA 0.090 4.430 4.340 -0.000 0.000 0.223 177 L C 0.445 176.799 176.870 -0.861 0.000 1.140 177 L CA 0.633 55.195 54.840 -0.463 0.000 0.842 177 L CB 0.011 41.726 42.059 -0.574 0.000 0.953 177 L HN 0.218 nan 8.230 nan 0.000 0.452 178 F N -1.408 118.502 119.950 -0.065 0.000 2.815 178 F HA 0.212 4.739 4.527 -0.000 0.000 0.335 178 F C 0.075 175.753 175.800 -0.205 0.000 1.179 178 F CA -0.968 56.976 58.000 -0.093 0.000 1.204 178 F CB 0.107 39.067 39.000 -0.067 0.000 1.050 178 F HN -0.076 nan 8.300 nan 0.000 0.510 179 D N 2.165 122.407 120.400 -0.264 0.000 2.704 179 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 179 D C -0.202 175.603 176.300 -0.825 0.000 1.183 179 D CA 0.899 54.443 54.000 -0.759 0.000 0.647 179 D CB -0.760 39.896 40.800 -0.240 0.000 1.013 179 D HN 0.330 nan 8.370 nan 0.000 0.415 180 I N 1.297 121.455 120.570 -0.687 0.000 2.382 180 I HA 0.196 4.366 4.170 -0.000 0.000 0.285 180 I C -1.894 174.038 176.117 -0.308 0.000 1.007 180 I CA -1.902 59.166 61.300 -0.387 0.000 1.142 180 I CB 1.828 39.706 38.000 -0.202 0.000 1.289 180 I HN -0.276 nan 8.210 nan 0.000 0.453 181 P HA -0.067 nan 4.420 nan 0.000 0.263 181 P C -1.055 176.180 177.300 -0.109 0.000 1.195 181 P CA 0.115 63.198 63.100 -0.029 0.000 0.762 181 P CB 0.743 32.443 31.700 0.001 0.000 0.799 182 Q N 3.851 123.582 119.800 -0.116 0.000 2.327 182 Q HA 0.491 4.830 4.340 -0.000 0.000 0.270 182 Q C -1.254 174.525 176.000 -0.369 0.000 1.022 182 Q CA -0.710 54.958 55.803 -0.225 0.000 0.773 182 Q CB 0.804 29.428 28.738 -0.190 0.000 1.251 182 Q HN 0.390 nan 8.270 nan 0.000 0.457 183 I N 3.029 123.406 120.570 -0.321 0.000 2.412 183 I HA 0.687 4.857 4.170 -0.000 0.000 0.296 183 I C -0.111 175.770 176.117 -0.392 0.000 0.987 183 I CA -0.709 60.388 61.300 -0.338 0.000 1.180 183 I CB 1.793 39.720 38.000 -0.122 0.000 1.340 183 I HN 0.765 nan 8.210 nan 0.000 0.455 184 A N 4.582 127.096 122.820 -0.510 0.000 2.347 184 A HA 0.750 5.069 4.320 -0.000 0.000 0.301 184 A C -0.687 176.708 177.584 -0.314 0.000 1.163 184 A CA -0.304 51.415 52.037 -0.530 0.000 0.860 184 A CB 0.978 19.637 19.000 -0.569 0.000 1.367 184 A HN 0.783 nan 8.150 nan 0.000 0.461 185 Y N -2.492 117.775 120.300 -0.056 0.000 2.729 185 Y HA 0.339 4.888 4.550 -0.000 0.000 0.266 185 Y C 0.760 176.625 175.900 -0.058 0.000 1.064 185 Y CA 0.137 58.211 58.100 -0.045 0.000 1.251 185 Y CB -0.278 38.227 38.460 0.075 0.000 1.379 185 Y HN 0.619 nan 8.280 nan 0.000 0.569 186 S N -0.644 115.073 115.700 0.028 0.000 2.700 186 S HA 0.602 5.072 4.470 -0.000 0.000 0.272 186 S C 0.597 175.201 174.600 0.007 0.000 1.052 186 S CA 0.115 58.386 58.200 0.118 0.000 1.317 186 S CB -0.272 63.110 63.200 0.304 0.000 1.212 186 S HN 0.482 nan 8.310 nan 0.000 0.675 187 A N 2.833 125.617 122.820 -0.061 0.000 2.666 187 A HA 0.559 4.879 4.320 -0.000 0.000 0.312 187 A C 1.224 178.818 177.584 0.016 0.000 1.471 187 A CA 0.187 52.207 52.037 -0.029 0.000 1.134 187 A CB -0.456 18.540 19.000 -0.008 0.000 1.129 187 A HN 0.563 nan 8.150 nan 0.000 0.539 188 T N -0.550 114.008 114.554 0.008 0.000 3.081 188 T HA 0.078 4.428 4.350 -0.000 0.000 0.250 188 T C 0.992 175.712 174.700 0.033 0.000 1.100 188 T CA 0.448 62.566 62.100 0.030 0.000 1.038 188 T CB -0.741 68.172 68.868 0.074 0.000 0.962 188 T HN 0.873 nan 8.240 nan 0.000 0.516 189 S N 1.283 116.990 115.700 0.011 0.000 2.558 189 S HA 0.041 4.511 4.470 -0.000 0.000 0.297 189 S C 1.096 175.678 174.600 -0.029 0.000 1.283 189 S CA -0.389 57.822 58.200 0.018 0.000 1.044 189 S CB -0.109 63.071 63.200 -0.033 0.000 0.789 189 S HN 0.404 nan 8.310 nan 0.000 0.500 190 I N 0.872 121.441 120.570 -0.001 0.000 3.291 190 I HA -0.074 4.096 4.170 -0.000 0.000 0.279 190 I C 1.038 177.137 176.117 -0.030 0.000 1.294 190 I CA 0.511 61.799 61.300 -0.020 0.000 1.428 190 I CB -0.416 37.572 38.000 -0.020 0.000 1.070 190 I HN 0.599 nan 8.210 nan 0.000 0.478 191 D N 1.094 121.474 120.400 -0.032 0.000 2.137 191 D HA -0.056 4.583 4.640 -0.000 0.000 0.202 191 D C 2.097 178.427 176.300 0.050 0.000 0.970 191 D CA 0.981 55.007 54.000 0.043 0.000 0.837 191 D CB -0.234 40.640 40.800 0.122 0.000 0.981 191 D HN 0.246 nan 8.370 nan 0.000 0.475 192 L N 0.680 121.762 121.223 -0.235 0.000 2.651 192 L HA -0.085 4.254 4.340 -0.000 0.000 0.236 192 L C 1.672 178.404 176.870 -0.230 0.000 1.173 192 L CA 0.477 55.006 54.840 -0.518 0.000 0.843 192 L CB -0.301 41.029 42.059 -1.214 0.000 0.964 192 L HN -0.107 nan 8.230 nan 0.000 0.454 193 S N -1.648 114.012 115.700 -0.067 0.000 2.548 193 S HA -0.020 4.450 4.470 -0.000 0.000 0.215 193 S C 0.664 175.272 174.600 0.013 0.000 0.976 193 S CA -0.082 58.111 58.200 -0.013 0.000 0.908 193 S CB -0.068 63.127 63.200 -0.009 0.000 0.781 193 S HN 0.329 nan 8.310 nan 0.000 0.519 194 D N 2.013 122.435 120.400 0.036 0.000 2.522 194 D HA 0.171 4.811 4.640 -0.000 0.000 0.218 194 D C 1.051 177.331 176.300 -0.033 0.000 1.149 194 D CA -0.158 53.833 54.000 -0.014 0.000 0.981 194 D CB 0.240 41.003 40.800 -0.061 0.000 1.041 194 D HN -0.181 nan 8.370 nan 0.000 0.518 195 K N 0.714 121.104 120.400 -0.016 0.000 2.113 195 K HA -0.145 4.174 4.320 -0.000 0.000 0.208 195 K C 1.910 178.463 176.600 -0.078 0.000 1.047 195 K CA 1.438 57.710 56.287 -0.026 0.000 0.928 195 K CB -1.084 31.396 32.500 -0.032 0.000 0.716 195 K HN 0.572 nan 8.250 nan 0.000 0.446 196 T N -1.107 113.391 114.554 -0.094 0.000 2.969 196 T HA -0.118 4.232 4.350 -0.000 0.000 0.271 196 T C 1.763 176.365 174.700 -0.162 0.000 1.127 196 T CA 1.022 63.056 62.100 -0.110 0.000 1.102 196 T CB -0.023 68.786 68.868 -0.099 0.000 0.855 196 T HN 0.190 nan 8.240 nan 0.000 0.536 197 L N -2.083 118.994 121.223 -0.244 0.000 2.730 197 L HA 0.373 4.713 4.340 -0.000 0.000 0.236 197 L C -0.150 176.437 176.870 -0.472 0.000 1.061 197 L CA -0.083 54.486 54.840 -0.452 0.000 0.898 197 L CB 0.951 42.563 42.059 -0.745 0.000 1.270 197 L HN 0.174 nan 8.230 nan 0.000 0.500 198 Y N -0.175 120.093 120.300 -0.053 0.000 2.495 198 Y HA 0.217 4.767 4.550 -0.000 0.000 0.362 198 Y C 1.040 176.935 175.900 -0.008 0.000 0.956 198 Y CA -0.963 57.119 58.100 -0.030 0.000 1.127 198 Y CB 0.327 38.719 38.460 -0.113 0.000 1.173 198 Y HN -0.058 nan 8.280 nan 0.000 0.639 199 K N 0.160 120.600 120.400 0.067 0.000 2.009 199 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 199 K C 0.507 177.044 176.600 -0.105 0.000 1.049 199 K CA 1.871 58.111 56.287 -0.080 0.000 0.929 199 K CB -0.165 32.195 32.500 -0.233 0.000 0.714 199 K HN 0.538 nan 8.250 nan 0.000 0.440 200 Y N -0.130 120.228 120.300 0.096 0.000 2.519 200 Y HA 0.062 4.612 4.550 -0.000 0.000 0.311 200 Y C 0.364 176.318 175.900 0.089 0.000 1.207 200 Y CA -0.364 57.776 58.100 0.066 0.000 1.289 200 Y CB -0.035 38.450 38.460 0.041 0.000 1.059 200 Y HN 0.060 nan 8.280 nan 0.000 0.507 201 F N 1.914 121.907 119.950 0.072 0.000 2.403 201 F HA 0.671 5.198 4.527 -0.000 0.000 0.326 201 F C -0.634 175.139 175.800 -0.045 0.000 1.081 201 F CA -1.243 56.756 58.000 -0.002 0.000 1.041 201 F CB 0.934 39.911 39.000 -0.038 0.000 1.234 201 F HN -0.175 nan 8.300 nan 0.000 0.503 202 L N 3.047 124.065 121.223 -0.343 0.000 2.724 202 L HA 0.609 4.949 4.340 -0.000 0.000 0.258 202 L C -1.863 174.783 176.870 -0.373 0.000 0.967 202 L CA -1.263 53.505 54.840 -0.120 0.000 0.891 202 L CB 2.111 44.007 42.059 -0.271 0.000 1.456 202 L HN 0.828 nan 8.230 nan 0.000 0.416 203 R N 0.762 121.285 120.500 0.039 0.000 2.836 203 R HA 0.701 5.041 4.340 -0.000 0.000 0.269 203 R C -0.067 176.300 176.300 0.112 0.000 1.010 203 R CA -0.412 55.684 56.100 -0.007 0.000 0.930 203 R CB 2.150 32.472 30.300 0.037 0.000 1.218 203 R HN 0.657 nan 8.270 nan 0.000 0.473 204 V N -1.533 118.364 119.914 -0.028 0.000 3.444 204 V HA 0.252 4.372 4.120 -0.000 0.000 0.308 204 V C 0.217 176.064 176.094 -0.412 0.000 1.371 204 V CA -0.006 62.194 62.300 -0.166 0.000 1.141 204 V CB -0.010 31.793 31.823 -0.034 0.000 1.037 204 V HN 0.437 nan 8.190 nan 0.000 0.433 205 V N -1.866 117.807 119.914 -0.401 0.000 2.604 205 V HA 0.708 4.828 4.120 -0.000 0.000 0.305 205 V C -2.446 173.474 176.094 -0.290 0.000 1.043 205 V CA -2.680 59.296 62.300 -0.540 0.000 0.888 205 V CB 1.596 33.044 31.823 -0.626 0.000 0.995 205 V HN 0.152 nan 8.190 nan 0.000 0.429 206 P HA 0.106 nan 4.420 nan 0.000 0.267 206 P C 0.295 177.583 177.300 -0.021 0.000 1.200 206 P CA 0.405 63.426 63.100 -0.131 0.000 0.772 206 P CB 0.964 32.588 31.700 -0.126 0.000 0.855 207 S N 1.426 117.138 115.700 0.021 0.000 2.633 207 S HA 0.097 4.567 4.470 -0.000 0.000 0.257 207 S C 0.823 175.490 174.600 0.113 0.000 1.265 207 S CA -0.169 58.061 58.200 0.050 0.000 0.980 207 S CB -0.024 63.192 63.200 0.027 0.000 1.017 207 S HN 0.378 nan 8.310 nan 0.000 0.577 208 D N 0.227 120.703 120.400 0.126 0.000 2.347 208 D HA 0.082 4.722 4.640 -0.000 0.000 0.213 208 D C 1.762 178.106 176.300 0.073 0.000 0.985 208 D CA 0.610 54.721 54.000 0.185 0.000 0.879 208 D CB -0.735 40.258 40.800 0.322 0.000 0.919 208 D HN 0.595 nan 8.370 nan 0.000 0.526 209 T N 1.370 115.942 114.554 0.030 0.000 2.607 209 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 209 T C 2.013 176.712 174.700 -0.002 0.000 1.049 209 T CA 0.724 62.821 62.100 -0.007 0.000 1.162 209 T CB -0.367 68.508 68.868 0.013 0.000 0.863 209 T HN 0.197 nan 8.240 nan 0.000 0.424 210 L N 1.165 122.408 121.223 0.035 0.000 2.651 210 L HA -0.131 4.209 4.340 -0.000 0.000 0.236 210 L C 2.750 179.454 176.870 -0.277 0.000 1.173 210 L CA 0.844 55.669 54.840 -0.025 0.000 0.843 210 L CB -0.564 41.573 42.059 0.130 0.000 0.964 210 L HN 0.360 nan 8.230 nan 0.000 0.454 211 Q N -0.196 119.496 119.800 -0.181 0.000 2.036 211 Q HA -0.078 4.261 4.340 -0.000 0.000 0.195 211 Q C 2.498 178.362 176.000 -0.227 0.000 0.971 211 Q CA 1.360 56.964 55.803 -0.331 0.000 0.826 211 Q CB -0.031 28.718 28.738 0.017 0.000 0.896 211 Q HN 0.535 nan 8.270 nan 0.000 0.449 212 A N 1.502 124.280 122.820 -0.071 0.000 1.873 212 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 212 A C 2.096 179.735 177.584 0.092 0.000 1.193 212 A CA 2.078 54.122 52.037 0.012 0.000 0.629 212 A CB -0.640 18.387 19.000 0.045 0.000 0.826 212 A HN 0.255 nan 8.150 nan 0.000 0.447 213 R N 0.043 120.556 120.500 0.021 0.000 2.112 213 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 213 R C 2.175 178.504 176.300 0.048 0.000 1.137 213 R CA 2.475 58.627 56.100 0.087 0.000 0.944 213 R CB -0.922 29.466 30.300 0.145 0.000 0.857 213 R HN 0.435 nan 8.270 nan 0.000 0.435 214 A N -0.070 122.517 122.820 -0.388 0.000 1.933 214 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 214 A C 2.310 179.781 177.584 -0.188 0.000 1.175 214 A CA 1.799 53.468 52.037 -0.613 0.000 0.628 214 A CB -0.469 17.500 19.000 -1.719 0.000 0.814 214 A HN 0.457 nan 8.150 nan 0.000 0.444 215 M N -1.311 118.183 119.600 -0.176 0.000 2.086 215 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 215 M C 2.207 178.601 176.300 0.158 0.000 1.067 215 M CA 1.472 56.723 55.300 -0.082 0.000 1.116 215 M CB -0.479 31.979 32.600 -0.237 0.000 1.348 215 M HN 0.464 nan 8.290 nan 0.000 0.407 216 L N 1.053 122.514 121.223 0.396 0.000 1.955 216 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 216 L C 1.460 178.490 176.870 0.266 0.000 1.072 216 L CA 2.199 57.330 54.840 0.485 0.000 0.755 216 L CB -0.879 41.371 42.059 0.319 0.000 0.888 216 L HN 0.204 nan 8.230 nan 0.000 0.432 217 D N -0.633 119.916 120.400 0.247 0.000 2.292 217 D HA -0.253 4.387 4.640 -0.000 0.000 0.205 217 D C 2.140 178.575 176.300 0.224 0.000 0.994 217 D CA 1.613 55.767 54.000 0.256 0.000 0.897 217 D CB -0.150 40.897 40.800 0.411 0.000 0.907 217 D HN 0.475 nan 8.370 nan 0.000 0.467 218 I N -0.613 120.076 120.570 0.198 0.000 2.235 218 I HA -0.178 3.992 4.170 -0.000 0.000 0.241 218 I C 2.151 178.345 176.117 0.128 0.000 1.085 218 I CA 0.435 61.825 61.300 0.151 0.000 1.378 218 I CB -0.120 37.920 38.000 0.066 0.000 1.076 218 I HN -0.083 nan 8.210 nan 0.000 0.415 219 V N 1.208 121.233 119.914 0.186 0.000 2.469 219 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 219 V C 2.383 178.574 176.094 0.162 0.000 1.064 219 V CA 1.796 64.251 62.300 0.259 0.000 1.066 219 V CB -0.801 31.262 31.823 0.401 0.000 0.667 219 V HN 0.381 nan 8.190 nan 0.000 0.461 220 K N -0.181 120.308 120.400 0.149 0.000 1.985 220 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 220 K C 2.436 179.069 176.600 0.055 0.000 1.047 220 K CA 1.597 57.944 56.287 0.101 0.000 0.932 220 K CB -0.327 32.232 32.500 0.099 0.000 0.716 220 K HN 0.223 nan 8.250 nan 0.000 0.439 221 R N 0.170 120.719 120.500 0.083 0.000 2.133 221 R HA -0.188 4.151 4.340 -0.000 0.000 0.247 221 R C 0.966 177.174 176.300 -0.153 0.000 1.151 221 R CA 1.634 57.734 56.100 -0.000 0.000 0.971 221 R CB -0.107 30.224 30.300 0.051 0.000 0.866 221 R HN 0.263 nan 8.270 nan 0.000 0.447 222 Y N 0.922 120.978 120.300 -0.407 0.000 2.537 222 Y HA 0.183 4.732 4.550 -0.000 0.000 0.303 222 Y C 0.453 175.976 175.900 -0.628 0.000 1.176 222 Y CA -0.608 57.069 58.100 -0.704 0.000 1.273 222 Y CB -0.359 37.212 38.460 -1.482 0.000 1.110 222 Y HN 0.111 nan 8.280 nan 0.000 0.518 223 N N -1.511 117.094 118.700 -0.158 0.000 2.604 223 N HA -0.252 4.488 4.740 -0.000 0.000 0.246 223 N C -0.867 174.712 175.510 0.116 0.000 1.190 223 N CA 0.934 53.971 53.050 -0.021 0.000 0.738 223 N CB -0.783 37.694 38.487 -0.017 0.000 1.125 223 N HN 0.409 nan 8.380 nan 0.000 0.561 224 W N 1.444 122.836 121.300 0.153 0.000 2.489 224 W HA 0.080 4.740 4.660 -0.000 0.000 0.327 224 W C 1.477 178.075 176.519 0.132 0.000 1.436 224 W CA 0.237 57.667 57.345 0.142 0.000 1.315 224 W CB -0.646 28.898 29.460 0.140 0.000 1.373 224 W HN 0.033 nan 8.180 nan 0.000 0.557 225 T N 0.556 115.320 114.554 0.349 0.000 3.244 225 T HA 0.155 4.505 4.350 -0.000 0.000 0.254 225 T C -0.698 174.215 174.700 0.356 0.000 1.024 225 T CA -0.030 62.231 62.100 0.267 0.000 0.920 225 T CB -0.419 68.559 68.868 0.183 0.000 1.042 225 T HN 0.215 nan 8.240 nan 0.000 0.572 226 Y N 1.059 121.445 120.300 0.143 0.000 2.262 226 Y HA 0.450 5.000 4.550 -0.000 0.000 0.317 226 Y C -0.975 174.961 175.900 0.060 0.000 1.230 226 Y CA -1.850 56.301 58.100 0.086 0.000 1.166 226 Y CB 1.071 39.570 38.460 0.066 0.000 1.254 226 Y HN 0.235 nan 8.280 nan 0.000 0.405 227 V N 0.689 120.487 119.914 -0.194 0.000 3.156 227 V HA 0.905 5.024 4.120 -0.000 0.000 0.311 227 V C -0.574 175.383 176.094 -0.228 0.000 1.208 227 V CA -0.731 61.480 62.300 -0.148 0.000 1.063 227 V CB 1.646 33.473 31.823 0.008 0.000 1.098 227 V HN 0.620 nan 8.190 nan 0.000 0.452 228 S N -0.415 115.204 115.700 -0.135 0.000 2.739 228 S HA 0.939 5.409 4.470 -0.000 0.000 0.306 228 S C -0.453 174.111 174.600 -0.059 0.000 1.115 228 S CA -0.006 58.125 58.200 -0.115 0.000 0.985 228 S CB 1.550 64.672 63.200 -0.129 0.000 1.133 228 S HN 2.163 nan 8.310 nan 0.000 0.541 229 A N 1.557 124.346 122.820 -0.052 0.000 2.465 229 A HA 0.692 5.012 4.320 -0.000 0.000 0.292 229 A C -1.675 175.906 177.584 -0.006 0.000 1.041 229 A CA -0.449 51.583 52.037 -0.009 0.000 0.718 229 A CB 1.289 20.309 19.000 0.034 0.000 1.266 229 A HN 0.729 nan 8.150 nan 0.000 0.403 230 V N 5.008 124.932 119.914 0.017 0.000 2.686 230 V HA 0.691 4.811 4.120 -0.000 0.000 0.306 230 V C -0.822 175.325 176.094 0.088 0.000 1.065 230 V CA -0.552 61.759 62.300 0.018 0.000 0.894 230 V CB 1.984 33.788 31.823 -0.031 0.000 1.004 230 V HN 1.125 nan 8.190 nan 0.000 0.424 231 H N 0.923 119.974 119.070 -0.032 0.000 2.961 231 H HA 0.610 5.166 4.556 -0.000 0.000 0.371 231 H C -0.888 174.421 175.328 -0.031 0.000 1.190 231 H CA -0.736 55.301 56.048 -0.018 0.000 1.138 231 H CB 1.826 31.567 29.762 -0.035 0.000 1.816 231 H HN 0.495 nan 8.280 nan 0.000 0.551 232 T N 1.674 116.228 114.554 -0.001 0.000 2.904 232 T HA 0.122 4.472 4.350 -0.000 0.000 0.290 232 T C 0.445 175.092 174.700 -0.087 0.000 1.018 232 T CA -0.840 61.222 62.100 -0.064 0.000 1.075 232 T CB 1.250 70.152 68.868 0.057 0.000 0.986 232 T HN 0.431 nan 8.240 nan 0.000 0.523 233 E N 0.797 120.823 120.200 -0.290 0.000 2.383 233 E HA 0.502 4.852 4.350 -0.000 0.000 0.264 233 E C 0.612 177.116 176.600 -0.160 0.000 1.050 233 E CA 0.276 56.454 56.400 -0.371 0.000 0.896 233 E CB 1.069 30.124 29.700 -1.075 0.000 0.982 233 E HN 1.012 nan 8.360 nan 0.000 0.424 234 G N 2.187 110.958 108.800 -0.047 0.000 2.406 234 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.680 234 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.680 234 G C 0.348 175.303 174.900 0.093 0.000 1.338 234 G CA -0.410 44.723 45.100 0.055 0.000 0.941 234 G HN 0.488 nan 8.290 nan 0.000 0.633 235 N N -0.870 117.890 118.700 0.100 0.000 2.588 235 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 235 N C 1.437 177.043 175.510 0.160 0.000 1.094 235 N CA 1.850 54.955 53.050 0.092 0.000 0.921 235 N CB -0.120 38.408 38.487 0.069 0.000 0.959 235 N HN 0.618 nan 8.380 nan 0.000 0.448 236 Y N 0.276 120.620 120.300 0.074 0.000 2.197 236 Y HA 0.194 4.743 4.550 -0.000 0.000 0.281 236 Y C 2.382 178.424 175.900 0.236 0.000 1.099 236 Y CA 1.821 60.008 58.100 0.145 0.000 1.092 236 Y CB -0.946 37.596 38.460 0.138 0.000 1.028 236 Y HN -0.083 nan 8.280 nan 0.000 0.489 237 G N 0.417 109.223 108.800 0.010 0.000 2.491 237 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 237 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 237 G C 1.500 176.358 174.900 -0.069 0.000 1.180 237 G CA 1.223 46.324 45.100 0.001 0.000 0.774 237 G HN 0.550 nan 8.290 nan 0.000 0.562 238 E N 0.318 120.514 120.200 -0.007 0.000 2.033 238 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 238 E C 2.948 179.380 176.600 -0.280 0.000 1.011 238 E CA 1.432 57.733 56.400 -0.164 0.000 0.815 238 E CB -0.330 29.344 29.700 -0.043 0.000 0.755 238 E HN 0.357 nan 8.360 nan 0.000 0.451 239 S N 0.145 115.729 115.700 -0.192 0.000 2.365 239 S HA -0.178 4.291 4.470 -0.000 0.000 0.225 239 S C 2.001 176.368 174.600 -0.389 0.000 1.039 239 S CA 1.231 59.304 58.200 -0.212 0.000 1.033 239 S CB -0.706 62.431 63.200 -0.104 0.000 0.887 239 S HN 0.512 nan 8.310 nan 0.000 0.447 240 G N 1.354 109.758 108.800 -0.660 0.000 2.459 240 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 240 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 240 G C 1.388 175.639 174.900 -1.082 0.000 1.183 240 G CA 1.475 45.741 45.100 -1.390 0.000 0.776 240 G HN 0.389 nan 8.290 nan 0.000 0.552 241 M N 1.209 120.289 119.600 -0.867 0.000 2.126 241 M HA -0.064 4.416 4.480 -0.000 0.000 0.259 241 M C 2.029 178.140 176.300 -0.314 0.000 1.073 241 M CA 1.926 56.929 55.300 -0.496 0.000 1.103 241 M CB -1.024 31.225 32.600 -0.585 0.000 1.284 241 M HN 0.191 nan 8.290 nan 0.000 0.420 242 D N -0.216 119.979 120.400 -0.343 0.000 2.200 242 D HA -0.242 4.398 4.640 -0.000 0.000 0.192 242 D C 1.768 177.966 176.300 -0.170 0.000 1.008 242 D CA 2.080 55.946 54.000 -0.224 0.000 0.872 242 D CB -0.205 40.473 40.800 -0.204 0.000 0.923 242 D HN 0.560 nan 8.370 nan 0.000 0.447 243 A N 0.301 122.997 122.820 -0.206 0.000 1.902 243 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 243 A C 2.062 179.607 177.584 -0.066 0.000 1.181 243 A CA 1.092 53.041 52.037 -0.147 0.000 0.623 243 A CB -0.854 18.028 19.000 -0.198 0.000 0.818 243 A HN 0.252 nan 8.150 nan 0.000 0.443 244 F N 0.734 120.532 119.950 -0.253 0.000 2.060 244 F HA -0.095 4.431 4.527 -0.000 0.000 0.295 244 F C 2.162 177.885 175.800 -0.129 0.000 1.120 244 F CA 2.057 59.951 58.000 -0.177 0.000 1.205 244 F CB -0.394 38.492 39.000 -0.190 0.000 0.986 244 F HN 0.111 nan 8.300 nan 0.000 0.470 245 K N 0.016 120.377 120.400 -0.065 0.000 2.173 245 K HA -0.288 4.032 4.320 -0.000 0.000 0.207 245 K C 2.104 178.603 176.600 -0.169 0.000 1.046 245 K CA 1.875 58.069 56.287 -0.154 0.000 0.929 245 K CB -0.378 32.065 32.500 -0.096 0.000 0.720 245 K HN 0.467 nan 8.250 nan 0.000 0.453 246 E N 1.009 121.129 120.200 -0.134 0.000 2.077 246 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 246 E C 1.691 178.215 176.600 -0.127 0.000 0.989 246 E CA 0.804 57.138 56.400 -0.110 0.000 0.800 246 E CB 0.058 29.707 29.700 -0.086 0.000 0.746 246 E HN 0.253 nan 8.360 nan 0.000 0.452 247 L N 0.215 121.338 121.223 -0.168 0.000 2.552 247 L HA 0.024 4.364 4.340 -0.000 0.000 0.227 247 L C 2.241 178.957 176.870 -0.258 0.000 1.146 247 L CA 0.266 55.000 54.840 -0.178 0.000 0.858 247 L CB -0.223 41.739 42.059 -0.161 0.000 0.969 247 L HN 0.198 nan 8.230 nan 0.000 0.451 248 A N 0.624 123.250 122.820 -0.323 0.000 1.823 248 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 248 A C 2.559 180.049 177.584 -0.157 0.000 1.225 248 A CA 1.456 53.311 52.037 -0.304 0.000 0.604 248 A CB -0.925 17.897 19.000 -0.297 0.000 0.878 248 A HN 0.305 nan 8.150 nan 0.000 0.450 249 A N -0.852 121.897 122.820 -0.117 0.000 1.852 249 A HA -0.327 3.993 4.320 -0.000 0.000 0.217 249 A C 2.097 179.648 177.584 -0.056 0.000 1.215 249 A CA 2.190 54.186 52.037 -0.069 0.000 0.641 249 A CB -1.190 17.775 19.000 -0.058 0.000 0.838 249 A HN 0.642 nan 8.150 nan 0.000 0.450 250 Q N -1.211 118.555 119.800 -0.057 0.000 2.224 250 Q HA -0.255 4.085 4.340 -0.000 0.000 0.213 250 Q C 1.943 177.923 176.000 -0.033 0.000 0.998 250 Q CA 1.840 57.619 55.803 -0.040 0.000 0.895 250 Q CB -0.205 28.509 28.738 -0.039 0.000 0.926 250 Q HN 0.682 nan 8.270 nan 0.000 0.417 251 E N -1.426 118.745 120.200 -0.048 0.000 2.190 251 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 251 E C 0.770 177.358 176.600 -0.019 0.000 0.978 251 E CA 0.898 57.279 56.400 -0.032 0.000 0.839 251 E CB 0.656 30.328 29.700 -0.048 0.000 0.787 251 E HN 0.440 nan 8.360 nan 0.000 0.473 252 G N 1.444 110.229 108.800 -0.025 0.000 2.754 252 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.215 252 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.215 252 G C -0.819 174.088 174.900 0.012 0.000 1.121 252 G CA -0.000 45.099 45.100 -0.002 0.000 0.954 252 G HN 0.079 nan 8.290 nan 0.000 0.511 253 L N -0.177 121.042 121.223 -0.007 0.000 2.393 253 L HA 0.911 5.251 4.340 -0.000 0.000 0.260 253 L C -0.360 176.521 176.870 0.018 0.000 1.002 253 L CA -0.799 54.050 54.840 0.015 0.000 0.818 253 L CB 2.320 44.356 42.059 -0.039 0.000 1.369 253 L HN 0.404 nan 8.230 nan 0.000 0.412 254 C N 3.702 123.047 119.300 0.076 0.000 2.455 254 C HA 0.623 5.083 4.460 -0.000 0.000 0.320 254 C C -0.508 174.405 174.990 -0.127 0.000 1.226 254 C CA -0.843 58.216 59.018 0.069 0.000 1.569 254 C CB 0.954 28.874 27.740 0.301 0.000 2.200 254 C HN 0.468 nan 8.230 nan 0.000 0.491 255 I N 4.858 125.341 120.570 -0.144 0.000 2.291 255 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 255 I C 1.201 177.156 176.117 -0.271 0.000 1.050 255 I CA 0.100 61.269 61.300 -0.219 0.000 1.245 255 I CB 0.357 38.292 38.000 -0.109 0.000 1.405 255 I HN 0.894 nan 8.210 nan 0.000 0.478 256 A N 6.867 129.374 122.820 -0.521 0.000 1.848 256 A HA -0.174 4.146 4.320 -0.000 0.000 0.211 256 A C 1.002 178.569 177.584 -0.028 0.000 1.225 256 A CA 1.408 53.266 52.037 -0.297 0.000 0.637 256 A CB -0.488 18.319 19.000 -0.321 0.000 0.867 256 A HN 0.751 nan 8.150 nan 0.000 0.463 257 H N -1.256 117.748 119.070 -0.110 0.000 2.585 257 H HA 0.613 5.169 4.556 -0.000 0.000 0.338 257 H C -0.450 174.842 175.328 -0.060 0.000 1.295 257 H CA -0.180 55.831 56.048 -0.061 0.000 1.356 257 H CB 1.303 31.032 29.762 -0.054 0.000 1.736 257 H HN 0.680 nan 8.280 nan 0.000 0.629 258 S N 2.008 117.146 115.700 -0.937 0.000 2.556 258 S HA 0.430 4.900 4.470 -0.000 0.000 0.280 258 S C -1.757 172.502 174.600 -0.568 0.000 1.141 258 S CA -1.011 56.897 58.200 -0.486 0.000 0.883 258 S CB 2.105 65.166 63.200 -0.231 0.000 1.103 258 S HN 0.741 nan 8.310 nan 0.000 0.453 259 D N 0.182 120.441 120.400 -0.236 0.000 2.713 259 D HA 0.599 5.239 4.640 -0.000 0.000 0.306 259 D C -1.617 174.549 176.300 -0.224 0.000 1.299 259 D CA -0.395 53.511 54.000 -0.157 0.000 0.823 259 D CB 1.945 42.730 40.800 -0.025 0.000 1.353 259 D HN 0.891 nan 8.370 nan 0.000 0.447 260 K N 0.121 120.365 120.400 -0.261 0.000 2.499 260 K HA 0.849 5.169 4.320 -0.000 0.000 0.277 260 K C -1.210 175.252 176.600 -0.231 0.000 1.025 260 K CA -0.913 55.101 56.287 -0.454 0.000 0.900 260 K CB 2.394 34.489 32.500 -0.676 0.000 1.494 260 K HN 0.452 nan 8.250 nan 0.000 0.442 261 I N 0.679 121.105 120.570 -0.239 0.000 2.639 261 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 261 I C -1.550 174.492 176.117 -0.125 0.000 1.762 261 I CA -0.809 60.419 61.300 -0.121 0.000 0.993 261 I CB 1.228 39.198 38.000 -0.049 0.000 1.518 261 I HN 0.730 nan 8.210 nan 0.000 0.517 262 Y N 3.770 124.026 120.300 -0.073 0.000 2.385 262 Y HA 0.080 4.630 4.550 -0.000 0.000 0.346 262 Y C 1.841 177.724 175.900 -0.028 0.000 1.270 262 Y CA 0.911 58.990 58.100 -0.036 0.000 1.472 262 Y CB 0.793 39.227 38.460 -0.044 0.000 1.354 262 Y HN 0.579 nan 8.280 nan 0.000 0.611 263 S N -0.644 115.165 115.700 0.182 0.000 2.562 263 S HA -0.100 4.370 4.470 -0.000 0.000 0.221 263 S C 0.889 175.571 174.600 0.138 0.000 0.975 263 S CA 0.645 58.949 58.200 0.173 0.000 0.918 263 S CB -0.357 62.934 63.200 0.151 0.000 0.772 263 S HN 0.833 nan 8.310 nan 0.000 0.531 264 N N 1.908 120.659 118.700 0.084 0.000 2.294 264 N HA 0.217 4.957 4.740 -0.000 0.000 0.186 264 N C 0.615 176.075 175.510 -0.084 0.000 1.107 264 N CA 0.382 53.444 53.050 0.019 0.000 0.884 264 N CB -0.470 38.027 38.487 0.017 0.000 1.030 264 N HN 0.382 nan 8.380 nan 0.000 0.482 265 A N 1.225 123.953 122.820 -0.153 0.000 2.613 265 A HA 0.376 4.696 4.320 -0.000 0.000 0.230 265 A C 1.052 178.434 177.584 -0.337 0.000 1.051 265 A CA 0.513 52.399 52.037 -0.251 0.000 0.754 265 A CB -0.572 18.247 19.000 -0.301 0.000 0.979 265 A HN 0.398 nan 8.150 nan 0.000 0.510 266 G N 0.301 108.970 108.800 -0.217 0.000 2.690 266 G HA2 0.257 4.217 3.960 -0.000 0.000 0.239 266 G HA3 0.257 4.217 3.960 -0.000 0.000 0.239 266 G C 0.598 175.405 174.900 -0.154 0.000 1.233 266 G CA 0.232 45.248 45.100 -0.141 0.000 0.847 266 G HN 0.852 nan 8.290 nan 0.000 0.588 267 E N 1.220 121.427 120.200 0.011 0.000 2.160 267 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 267 E C 2.922 179.584 176.600 0.103 0.000 0.991 267 E CA 1.509 58.001 56.400 0.153 0.000 0.810 267 E CB -0.107 29.676 29.700 0.139 0.000 0.742 267 E HN 0.618 nan 8.360 nan 0.000 0.466 268 K N 1.067 121.481 120.400 0.023 0.000 1.978 268 K HA -0.206 4.113 4.320 -0.000 0.000 0.214 268 K C 2.173 178.778 176.600 0.008 0.000 1.049 268 K CA 1.867 58.164 56.287 0.015 0.000 0.939 268 K CB -1.350 31.145 32.500 -0.008 0.000 0.721 268 K HN 0.032 nan 8.250 nan 0.000 0.441 269 S N 0.061 115.724 115.700 -0.062 0.000 2.389 269 S HA -0.141 4.328 4.470 -0.000 0.000 0.231 269 S C 1.872 176.465 174.600 -0.012 0.000 1.052 269 S CA 1.621 59.769 58.200 -0.086 0.000 1.053 269 S CB -0.571 62.512 63.200 -0.194 0.000 0.886 269 S HN 0.501 nan 8.310 nan 0.000 0.456 270 F N 1.808 121.758 119.950 -0.001 0.000 2.026 270 F HA -0.183 4.344 4.527 -0.000 0.000 0.296 270 F C 2.651 178.441 175.800 -0.016 0.000 1.133 270 F CA 1.138 59.131 58.000 -0.011 0.000 1.188 270 F CB -0.387 38.606 39.000 -0.012 0.000 0.968 270 F HN 0.159 nan 8.300 nan 0.000 0.476 271 D N -0.028 120.494 120.400 0.203 0.000 2.133 271 D HA -0.254 4.386 4.640 -0.000 0.000 0.192 271 D C 2.155 178.496 176.300 0.069 0.000 1.001 271 D CA 1.458 55.516 54.000 0.098 0.000 0.844 271 D CB -0.524 40.315 40.800 0.066 0.000 0.944 271 D HN 0.220 nan 8.370 nan 0.000 0.447 272 R N 0.257 120.794 120.500 0.062 0.000 2.103 272 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 272 R C 2.451 178.776 176.300 0.041 0.000 1.142 272 R CA 0.988 57.111 56.100 0.038 0.000 0.960 272 R CB -0.399 29.917 30.300 0.027 0.000 0.858 272 R HN 0.120 nan 8.270 nan 0.000 0.439 273 L N 0.727 121.995 121.223 0.074 0.000 1.994 273 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 273 L C 2.080 178.968 176.870 0.030 0.000 1.071 273 L CA 1.667 56.552 54.840 0.075 0.000 0.745 273 L CB -0.788 41.353 42.059 0.136 0.000 0.892 273 L HN 0.304 nan 8.230 nan 0.000 0.431 274 L N -0.155 121.090 121.223 0.036 0.000 2.012 274 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 274 L C 2.731 179.612 176.870 0.019 0.000 1.073 274 L CA 2.140 56.991 54.840 0.018 0.000 0.748 274 L CB -0.732 41.349 42.059 0.036 0.000 0.891 274 L HN 0.384 nan 8.230 nan 0.000 0.431 275 R N -0.123 120.385 120.500 0.013 0.000 2.148 275 R HA -0.275 4.064 4.340 -0.000 0.000 0.230 275 R C 2.437 178.704 176.300 -0.055 0.000 1.120 275 R CA 2.988 59.086 56.100 -0.004 0.000 0.902 275 R CB -0.666 29.632 30.300 -0.004 0.000 0.839 275 R HN 0.373 nan 8.270 nan 0.000 0.431 276 K N 0.782 121.120 120.400 -0.103 0.000 2.189 276 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 276 K C 2.067 178.421 176.600 -0.410 0.000 1.046 276 K CA 2.080 58.198 56.287 -0.281 0.000 0.928 276 K CB -1.053 31.276 32.500 -0.286 0.000 0.720 276 K HN 0.407 nan 8.250 nan 0.000 0.458 277 L N -0.622 120.472 121.223 -0.215 0.000 2.068 277 L HA -0.096 4.244 4.340 -0.000 0.000 0.204 277 L C 3.003 179.862 176.870 -0.019 0.000 1.076 277 L CA 1.000 55.730 54.840 -0.183 0.000 0.753 277 L CB -0.078 41.823 42.059 -0.263 0.000 0.910 277 L HN 0.391 nan 8.230 nan 0.000 0.439 278 R N -0.124 120.452 120.500 0.128 0.000 2.081 278 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 278 R C 1.958 178.323 176.300 0.108 0.000 1.131 278 R CA 1.501 57.752 56.100 0.252 0.000 0.960 278 R CB -0.399 30.004 30.300 0.173 0.000 0.856 278 R HN 0.439 nan 8.270 nan 0.000 0.436 279 E N 0.259 120.472 120.200 0.022 0.000 2.284 279 E HA -0.161 4.188 4.350 -0.000 0.000 0.200 279 E C 0.235 176.844 176.600 0.016 0.000 1.008 279 E CA 0.791 57.189 56.400 -0.003 0.000 0.829 279 E CB 0.089 29.761 29.700 -0.047 0.000 0.744 279 E HN 0.050 nan 8.360 nan 0.000 0.491 280 R N 0.749 121.267 120.500 0.030 0.000 2.755 280 R HA 0.395 4.735 4.340 -0.000 0.000 0.268 280 R C -0.523 175.852 176.300 0.125 0.000 1.295 280 R CA 0.002 56.146 56.100 0.073 0.000 1.379 280 R CB -0.112 30.228 30.300 0.066 0.000 1.170 280 R HN 0.049 nan 8.270 nan 0.000 0.584 281 L N 1.622 122.907 121.223 0.104 0.000 2.720 281 L HA 0.469 4.809 4.340 -0.000 0.000 0.261 281 L C -1.633 175.274 176.870 0.062 0.000 1.046 281 L CA -1.525 53.374 54.840 0.099 0.000 0.886 281 L CB 2.599 44.706 42.059 0.079 0.000 1.493 281 L HN 0.234 nan 8.230 nan 0.000 0.407 282 P HA 0.200 nan 4.420 nan 0.000 0.236 282 P C 0.107 177.452 177.300 0.076 0.000 1.709 282 P CA 0.093 63.221 63.100 0.047 0.000 0.942 282 P CB 0.496 32.208 31.700 0.019 0.000 1.615 283 K N 0.499 120.973 120.400 0.123 0.000 2.161 283 K HA 0.423 4.743 4.320 -0.000 0.000 0.205 283 K C 1.607 178.384 176.600 0.295 0.000 1.035 283 K CA 0.848 57.257 56.287 0.202 0.000 0.970 283 K CB -0.847 31.767 32.500 0.190 0.000 0.866 283 K HN 0.238 nan 8.250 nan 0.000 0.461 284 A N 1.753 124.730 122.820 0.262 0.000 3.026 284 A HA 0.348 4.667 4.320 -0.000 0.000 0.272 284 A C 1.365 179.025 177.584 0.127 0.000 1.782 284 A CA 0.253 52.366 52.037 0.125 0.000 1.451 284 A CB -0.634 18.415 19.000 0.081 0.000 1.081 284 A HN 0.543 nan 8.150 nan 0.000 0.611 285 R N 1.025 121.577 120.500 0.087 0.000 2.103 285 R HA 0.112 4.452 4.340 -0.000 0.000 0.212 285 R C -0.042 176.262 176.300 0.007 0.000 1.107 285 R CA 0.546 56.722 56.100 0.127 0.000 1.025 285 R CB 0.147 30.447 30.300 0.001 0.000 0.929 285 R HN 0.334 nan 8.270 nan 0.000 0.456 286 V N 3.100 122.876 119.914 -0.230 0.000 2.421 286 V HA 0.093 4.212 4.120 -0.000 0.000 0.271 286 V C -0.276 175.701 176.094 -0.195 0.000 1.031 286 V CA 0.040 62.121 62.300 -0.364 0.000 1.032 286 V CB 1.143 32.570 31.823 -0.660 0.000 1.009 286 V HN 0.030 nan 8.190 nan 0.000 0.477 287 V N 6.795 126.617 119.914 -0.153 0.000 2.318 287 V HA 0.207 4.326 4.120 -0.000 0.000 0.271 287 V C 0.204 176.245 176.094 -0.088 0.000 1.030 287 V CA -0.468 61.748 62.300 -0.140 0.000 0.844 287 V CB 1.616 33.312 31.823 -0.211 0.000 1.015 287 V HN 0.630 nan 8.190 nan 0.000 0.460 288 V N 4.764 124.633 119.914 -0.075 0.000 2.397 288 V HA 0.079 4.199 4.120 -0.000 0.000 0.262 288 V C 0.488 176.527 176.094 -0.091 0.000 1.047 288 V CA -0.130 62.102 62.300 -0.114 0.000 1.003 288 V CB 0.735 32.459 31.823 -0.164 0.000 1.037 288 V HN 0.963 nan 8.190 nan 0.000 0.480 289 C N 7.047 126.314 119.300 -0.055 0.000 2.170 289 C HA 0.405 4.865 4.460 -0.000 0.000 0.339 289 C C 0.373 175.362 174.990 -0.002 0.000 1.056 289 C CA -0.833 58.189 59.018 0.006 0.000 1.535 289 C CB -1.210 26.576 27.740 0.078 0.000 1.785 289 C HN 0.793 nan 8.230 nan 0.000 0.440 290 F N 4.860 124.725 119.950 -0.141 0.000 2.652 290 F HA 0.358 4.885 4.527 -0.000 0.000 0.352 290 F C 0.520 176.253 175.800 -0.113 0.000 1.259 290 F CA 0.039 57.922 58.000 -0.194 0.000 1.249 290 F CB -0.376 38.447 39.000 -0.296 0.000 1.628 290 F HN 0.524 nan 8.300 nan 0.000 0.654 291 C N 2.784 122.035 119.300 -0.081 0.000 2.614 291 C HA 0.409 4.869 4.460 -0.000 0.000 0.320 291 C C 0.183 175.238 174.990 0.109 0.000 1.200 291 C CA -1.221 57.816 59.018 0.032 0.000 1.700 291 C CB 1.518 29.284 27.740 0.043 0.000 2.275 291 C HN 0.582 nan 8.230 nan 0.000 0.492 292 E N 0.746 121.047 120.200 0.169 0.000 2.390 292 E HA 0.231 4.580 4.350 -0.000 0.000 0.261 292 E C 1.156 177.803 176.600 0.078 0.000 1.076 292 E CA 0.284 56.790 56.400 0.176 0.000 0.905 292 E CB 0.808 30.604 29.700 0.160 0.000 0.984 292 E HN 0.898 nan 8.360 nan 0.000 0.427 293 G N 2.455 111.287 108.800 0.052 0.000 2.529 293 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 293 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 293 G C 1.226 176.084 174.900 -0.069 0.000 1.177 293 G CA 0.780 45.873 45.100 -0.012 0.000 0.773 293 G HN 0.363 nan 8.290 nan 0.000 0.573 294 M N 1.016 120.610 119.600 -0.010 0.000 2.358 294 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 294 M C 2.568 178.885 176.300 0.029 0.000 1.064 294 M CA 1.204 56.507 55.300 0.005 0.000 1.093 294 M CB -1.386 31.248 32.600 0.056 0.000 1.401 294 M HN 0.209 nan 8.290 nan 0.000 0.440 295 T N 0.253 114.833 114.554 0.043 0.000 2.770 295 T HA -0.038 4.311 4.350 -0.000 0.000 0.263 295 T C 2.092 176.720 174.700 -0.120 0.000 1.039 295 T CA 1.073 63.222 62.100 0.083 0.000 1.142 295 T CB -0.283 68.646 68.868 0.101 0.000 0.868 295 T HN 0.137 nan 8.240 nan 0.000 0.435 296 V N 1.907 121.705 119.914 -0.193 0.000 2.255 296 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 296 V C 2.662 178.505 176.094 -0.418 0.000 1.051 296 V CA 2.037 64.117 62.300 -0.367 0.000 1.018 296 V CB -0.687 30.745 31.823 -0.651 0.000 0.641 296 V HN 0.391 nan 8.190 nan 0.000 0.445 297 R N 0.472 120.757 120.500 -0.360 0.000 2.112 297 R HA -0.224 4.115 4.340 -0.000 0.000 0.242 297 R C 2.317 178.475 176.300 -0.236 0.000 1.137 297 R CA 2.338 58.299 56.100 -0.233 0.000 0.944 297 R CB -1.024 29.185 30.300 -0.151 0.000 0.857 297 R HN 0.531 nan 8.270 nan 0.000 0.435 298 G N 0.921 109.477 108.800 -0.406 0.000 2.462 298 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 298 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 298 G C 1.289 175.476 174.900 -1.188 0.000 1.121 298 G CA 0.761 45.273 45.100 -0.978 0.000 0.758 298 G HN 0.332 nan 8.290 nan 0.000 0.559 299 L N 0.387 121.149 121.223 -0.767 0.000 2.044 299 L HA 0.195 4.535 4.340 -0.000 0.000 0.205 299 L C 2.734 179.384 176.870 -0.366 0.000 1.075 299 L CA 1.211 55.752 54.840 -0.498 0.000 0.747 299 L CB -0.517 41.356 42.059 -0.311 0.000 0.903 299 L HN 0.210 nan 8.230 nan 0.000 0.435 300 L N -1.212 119.808 121.223 -0.339 0.000 2.079 300 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 300 L C 2.697 179.177 176.870 -0.650 0.000 1.081 300 L CA 1.472 56.095 54.840 -0.361 0.000 0.752 300 L CB -1.019 40.913 42.059 -0.211 0.000 0.896 300 L HN 0.349 nan 8.230 nan 0.000 0.433 301 S N -0.063 115.277 115.700 -0.600 0.000 2.356 301 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 301 S C 2.168 176.548 174.600 -0.366 0.000 1.032 301 S CA 1.280 59.133 58.200 -0.578 0.000 1.005 301 S CB -0.163 62.990 63.200 -0.077 0.000 0.867 301 S HN 0.451 nan 8.310 nan 0.000 0.449 302 A N 0.951 123.598 122.820 -0.289 0.000 2.024 302 A HA -0.068 4.251 4.320 -0.000 0.000 0.220 302 A C 2.144 179.646 177.584 -0.138 0.000 1.164 302 A CA 1.717 53.661 52.037 -0.155 0.000 0.643 302 A CB -0.579 18.347 19.000 -0.123 0.000 0.806 302 A HN 0.673 nan 8.150 nan 0.000 0.451 303 M N -2.049 117.432 119.600 -0.199 0.000 2.287 303 M HA 0.022 4.502 4.480 -0.000 0.000 0.266 303 M C 2.222 178.416 176.300 -0.176 0.000 1.079 303 M CA 1.379 56.590 55.300 -0.149 0.000 1.146 303 M CB -0.083 32.434 32.600 -0.138 0.000 1.374 303 M HN 0.303 nan 8.290 nan 0.000 0.435 304 R N 0.838 121.167 120.500 -0.285 0.000 2.115 304 R HA 0.013 4.353 4.340 -0.000 0.000 0.230 304 R C 1.989 178.205 176.300 -0.141 0.000 1.111 304 R CA 1.582 57.534 56.100 -0.247 0.000 0.976 304 R CB -0.327 29.725 30.300 -0.413 0.000 0.870 304 R HN 0.224 nan 8.270 nan 0.000 0.445 305 R N -0.650 119.773 120.500 -0.129 0.000 2.057 305 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 305 R C 1.565 177.837 176.300 -0.047 0.000 1.136 305 R CA 1.360 57.423 56.100 -0.061 0.000 0.952 305 R CB -0.437 29.840 30.300 -0.038 0.000 0.848 305 R HN 0.182 nan 8.270 nan 0.000 0.430 306 L N 0.770 121.962 121.223 -0.052 0.000 2.675 306 L HA 0.126 4.466 4.340 -0.000 0.000 0.239 306 L C 0.866 177.709 176.870 -0.045 0.000 1.151 306 L CA 1.145 55.962 54.840 -0.037 0.000 0.905 306 L CB -0.202 41.840 42.059 -0.027 0.000 1.057 306 L HN 0.491 nan 8.230 nan 0.000 0.435 307 G N -0.567 108.199 108.800 -0.056 0.000 2.216 307 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.269 307 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.269 307 G C 0.504 175.368 174.900 -0.061 0.000 0.981 307 G CA 0.719 45.786 45.100 -0.054 0.000 0.658 307 G HN 0.748 nan 8.290 nan 0.000 0.539 308 V N -2.353 117.519 119.914 -0.069 0.000 2.686 308 V HA 0.849 4.968 4.120 -0.000 0.000 0.295 308 V C 0.239 176.276 176.094 -0.096 0.000 1.057 308 V CA -0.888 61.363 62.300 -0.081 0.000 1.012 308 V CB 2.073 33.846 31.823 -0.084 0.000 1.006 308 V HN 0.630 nan 8.190 nan 0.000 0.477 309 V N 3.679 123.531 119.914 -0.103 0.000 2.711 309 V HA 0.792 4.912 4.120 -0.000 0.000 0.304 309 V C 0.502 176.528 176.094 -0.113 0.000 1.097 309 V CA 0.157 62.396 62.300 -0.101 0.000 0.906 309 V CB 1.159 32.934 31.823 -0.079 0.000 1.015 309 V HN 1.809 nan 8.190 nan 0.000 0.427 310 G N 3.820 112.550 108.800 -0.118 0.000 2.473 310 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.289 310 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.289 310 G C -0.007 174.760 174.900 -0.220 0.000 1.084 310 G CA 0.447 45.473 45.100 -0.123 0.000 1.215 310 G HN 0.859 nan 8.290 nan 0.000 0.527 311 E N -1.188 118.768 120.200 -0.407 0.000 2.606 311 E HA 0.339 4.689 4.350 -0.000 0.000 0.224 311 E C 0.021 176.082 176.600 -0.898 0.000 0.930 311 E CA 0.133 56.103 56.400 -0.718 0.000 1.125 311 E CB 0.686 29.778 29.700 -1.014 0.000 1.123 311 E HN 0.495 nan 8.360 nan 0.000 0.522 312 F N -0.406 119.510 119.950 -0.057 0.000 2.643 312 F HA 0.408 4.935 4.527 -0.000 0.000 0.314 312 F C -0.282 175.469 175.800 -0.082 0.000 1.096 312 F CA -1.256 56.696 58.000 -0.080 0.000 0.953 312 F CB 1.585 40.542 39.000 -0.071 0.000 1.345 312 F HN -0.392 nan 8.300 nan 0.000 0.468 313 S N 2.319 118.065 115.700 0.075 0.000 2.498 313 S HA 0.631 5.101 4.470 -0.000 0.000 0.324 313 S C -0.588 173.999 174.600 -0.021 0.000 1.071 313 S CA -0.684 57.503 58.200 -0.021 0.000 1.113 313 S CB 0.376 63.468 63.200 -0.179 0.000 0.976 313 S HN 0.383 nan 8.310 nan 0.000 0.462 314 L N 3.511 124.766 121.223 0.053 0.000 2.418 314 L HA 0.554 4.894 4.340 -0.000 0.000 0.265 314 L C -0.255 176.604 176.870 -0.018 0.000 1.143 314 L CA -0.441 54.445 54.840 0.076 0.000 0.809 314 L CB 0.494 42.723 42.059 0.284 0.000 1.124 314 L HN 0.576 nan 8.230 nan 0.000 0.456 315 I N 1.811 122.365 120.570 -0.028 0.000 2.603 315 I HA 0.284 4.454 4.170 -0.000 0.000 0.276 315 I C 0.148 176.209 176.117 -0.093 0.000 1.133 315 I CA -0.227 61.012 61.300 -0.103 0.000 1.070 315 I CB 1.575 39.532 38.000 -0.072 0.000 1.215 315 I HN 0.630 nan 8.210 nan 0.000 0.487 316 G N 2.917 111.643 108.800 -0.123 0.000 2.434 316 G HA2 0.604 4.563 3.960 -0.000 0.000 0.330 316 G HA3 0.604 4.563 3.960 -0.000 0.000 0.330 316 G C 0.165 174.975 174.900 -0.150 0.000 1.155 316 G CA -0.336 44.764 45.100 -0.000 0.000 0.917 316 G HN 0.561 nan 8.290 nan 0.000 0.493 317 S N -0.188 115.380 115.700 -0.221 0.000 2.625 317 S HA 0.111 4.581 4.470 -0.000 0.000 0.258 317 S C 1.354 175.827 174.600 -0.211 0.000 1.256 317 S CA 0.455 58.412 58.200 -0.404 0.000 0.983 317 S CB 0.845 63.402 63.200 -1.071 0.000 1.032 317 S HN 0.729 nan 8.310 nan 0.000 0.572 318 D N -0.241 120.046 120.400 -0.189 0.000 2.310 318 D HA -0.032 4.608 4.640 -0.000 0.000 0.212 318 D C 1.847 178.151 176.300 0.007 0.000 0.965 318 D CA 1.133 55.096 54.000 -0.061 0.000 0.879 318 D CB -1.230 39.568 40.800 -0.004 0.000 0.921 318 D HN 0.673 nan 8.370 nan 0.000 0.510 319 G N 0.018 108.838 108.800 0.032 0.000 2.475 319 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 319 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 319 G C 1.248 176.235 174.900 0.145 0.000 1.125 319 G CA 0.816 45.958 45.100 0.070 0.000 0.755 319 G HN 0.343 nan 8.290 nan 0.000 0.565 320 W N 0.946 122.215 121.300 -0.052 0.000 2.560 320 W HA 0.386 5.045 4.660 -0.000 0.000 0.303 320 W C 1.849 178.342 176.519 -0.044 0.000 1.151 320 W CA 1.429 58.762 57.345 -0.021 0.000 1.426 320 W CB -0.674 28.783 29.460 -0.005 0.000 1.135 320 W HN 0.579 nan 8.180 nan 0.000 0.522 321 A N 1.571 124.446 122.820 0.091 0.000 5.395 321 A HA -0.374 3.946 4.320 -0.000 0.000 0.324 321 A C 0.845 178.274 177.584 -0.257 0.000 1.813 321 A CA 2.618 54.593 52.037 -0.104 0.000 0.714 321 A CB -2.099 16.855 19.000 -0.077 0.000 1.374 321 A HN 0.604 nan 8.150 nan 0.000 0.390 322 D N 0.001 120.117 120.400 -0.474 0.000 2.501 322 D HA 0.216 4.856 4.640 -0.000 0.000 0.226 322 D C 0.294 175.978 176.300 -1.027 0.000 1.198 322 D CA -0.130 53.050 54.000 -1.367 0.000 0.830 322 D CB -0.375 39.849 40.800 -0.960 0.000 1.014 322 D HN 0.586 nan 8.370 nan 0.000 0.496 323 R N 1.245 121.569 120.500 -0.292 0.000 2.488 323 R HA -0.025 4.315 4.340 -0.000 0.000 0.317 323 R C 0.684 177.060 176.300 0.127 0.000 0.941 323 R CA 0.084 56.158 56.100 -0.043 0.000 1.076 323 R CB 0.549 30.881 30.300 0.054 0.000 0.917 323 R HN 0.058 nan 8.270 nan 0.000 0.407 324 D N 2.904 123.371 120.400 0.111 0.000 2.269 324 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 324 D C 1.089 177.461 176.300 0.120 0.000 0.963 324 D CA 1.090 55.218 54.000 0.214 0.000 0.864 324 D CB 0.370 41.252 40.800 0.136 0.000 0.936 324 D HN 0.671 nan 8.370 nan 0.000 0.505 325 E N -0.244 119.988 120.200 0.053 0.000 2.485 325 E HA -0.005 4.344 4.350 -0.000 0.000 0.194 325 E C 1.352 177.937 176.600 -0.025 0.000 1.098 325 E CA 0.242 56.642 56.400 -0.000 0.000 0.878 325 E CB 0.370 30.057 29.700 -0.022 0.000 0.939 325 E HN 0.021 nan 8.360 nan 0.000 0.503 326 V N 0.492 120.408 119.914 0.004 0.000 3.263 326 V HA 0.011 4.130 4.120 -0.000 0.000 0.248 326 V C 1.536 177.557 176.094 -0.122 0.000 1.145 326 V CA 0.541 62.788 62.300 -0.090 0.000 1.107 326 V CB 0.070 31.796 31.823 -0.163 0.000 0.797 326 V HN 0.431 nan 8.190 nan 0.000 0.467 327 I N -1.251 119.307 120.570 -0.021 0.000 4.018 327 I HA 0.283 4.453 4.170 -0.000 0.000 0.337 327 I C 0.921 177.003 176.117 -0.058 0.000 1.327 327 I CA -0.524 60.760 61.300 -0.028 0.000 1.100 327 I CB -0.541 37.483 38.000 0.041 0.000 1.025 327 I HN 0.208 nan 8.210 nan 0.000 0.396 328 E N 2.597 122.749 120.200 -0.080 0.000 2.585 328 E HA 0.235 4.584 4.350 -0.000 0.000 0.252 328 E C 1.418 177.889 176.600 -0.215 0.000 0.981 328 E CA 1.084 57.427 56.400 -0.095 0.000 0.943 328 E CB -0.094 29.556 29.700 -0.083 0.000 0.923 328 E HN 0.596 nan 8.360 nan 0.000 0.486 329 G N 4.460 113.193 108.800 -0.111 0.000 2.336 329 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.233 329 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.233 329 G C 0.537 175.485 174.900 0.081 0.000 1.053 329 G CA 0.360 45.397 45.100 -0.106 0.000 0.625 329 G HN 0.688 nan 8.290 nan 0.000 0.511 330 Y N 1.277 121.545 120.300 -0.053 0.000 2.658 330 Y HA 0.356 4.905 4.550 -0.000 0.000 0.276 330 Y C 1.594 177.416 175.900 -0.129 0.000 1.167 330 Y CA 0.022 58.069 58.100 -0.087 0.000 1.230 330 Y CB 0.484 38.875 38.460 -0.115 0.000 1.144 330 Y HN 0.276 nan 8.280 nan 0.000 0.529 331 E N 0.150 120.359 120.200 0.015 0.000 2.517 331 E HA -0.115 4.235 4.350 -0.000 0.000 0.207 331 E C 1.177 177.458 176.600 -0.532 0.000 1.144 331 E CA 0.486 56.764 56.400 -0.202 0.000 0.920 331 E CB -0.160 29.521 29.700 -0.031 0.000 0.867 331 E HN 0.346 nan 8.360 nan 0.000 0.580 332 V N 0.498 120.264 119.914 -0.246 0.000 2.870 332 V HA -0.093 4.027 4.120 -0.000 0.000 0.232 332 V C 1.670 177.668 176.094 -0.161 0.000 1.161 332 V CA 0.660 62.815 62.300 -0.242 0.000 1.204 332 V CB -0.046 31.728 31.823 -0.081 0.000 1.003 332 V HN 0.260 nan 8.190 nan 0.000 0.499 333 E N 1.770 121.903 120.200 -0.113 0.000 2.515 333 E HA 0.009 4.358 4.350 -0.000 0.000 0.201 333 E C 1.503 178.071 176.600 -0.054 0.000 1.071 333 E CA 1.108 57.450 56.400 -0.097 0.000 0.880 333 E CB -0.130 29.483 29.700 -0.146 0.000 0.828 333 E HN 0.550 nan 8.360 nan 0.000 0.540 334 A N 1.501 124.288 122.820 -0.056 0.000 1.938 334 A HA -0.006 4.314 4.320 -0.000 0.000 0.207 334 A C 1.174 178.786 177.584 0.047 0.000 1.292 334 A CA 0.214 52.276 52.037 0.042 0.000 0.700 334 A CB -0.602 18.426 19.000 0.047 0.000 0.947 334 A HN 0.315 nan 8.150 nan 0.000 0.476 335 N N -0.601 118.040 118.700 -0.098 0.000 1.960 335 N HA 0.150 4.890 4.740 -0.000 0.000 0.299 335 N C 1.015 176.526 175.510 0.002 0.000 1.267 335 N CA 1.812 54.808 53.050 -0.091 0.000 0.802 335 N CB 0.110 38.480 38.487 -0.196 0.000 1.031 335 N HN 0.926 nan 8.380 nan 0.000 0.490 336 G N 1.078 109.892 108.800 0.023 0.000 2.313 336 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.215 336 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.215 336 G C 0.552 175.464 174.900 0.019 0.000 1.023 336 G CA 0.048 45.171 45.100 0.039 0.000 0.626 336 G HN 0.948 nan 8.290 nan 0.000 0.503 337 G N -0.111 108.692 108.800 0.006 0.000 2.716 337 G HA2 0.483 4.443 3.960 -0.000 0.000 0.251 337 G HA3 0.483 4.443 3.960 -0.000 0.000 0.251 337 G C -0.180 174.603 174.900 -0.193 0.000 1.224 337 G CA 0.255 45.306 45.100 -0.083 0.000 0.891 337 G HN 0.891 nan 8.290 nan 0.000 0.561 338 I N 0.099 120.502 120.570 -0.278 0.000 2.499 338 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 338 I C -0.097 175.786 176.117 -0.390 0.000 1.048 338 I CA -0.636 60.513 61.300 -0.252 0.000 1.062 338 I CB 2.616 40.531 38.000 -0.141 0.000 1.238 338 I HN 0.583 nan 8.210 nan 0.000 0.426 339 T N 4.032 118.355 114.554 -0.385 0.000 2.885 339 T HA 0.647 4.997 4.350 -0.000 0.000 0.285 339 T C -0.399 174.166 174.700 -0.225 0.000 1.019 339 T CA -0.798 61.056 62.100 -0.411 0.000 1.010 339 T CB 2.068 70.612 68.868 -0.541 0.000 1.022 339 T HN 0.146 nan 8.240 nan 0.000 0.466 340 I N 2.480 122.918 120.570 -0.221 0.000 2.336 340 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 340 I C 0.202 176.245 176.117 -0.123 0.000 0.991 340 I CA -0.624 60.558 61.300 -0.196 0.000 1.227 340 I CB 1.197 38.984 38.000 -0.356 0.000 1.366 340 I HN 0.790 nan 8.210 nan 0.000 0.466 341 K N 6.380 126.777 120.400 -0.005 0.000 2.426 341 K HA 0.502 4.822 4.320 -0.000 0.000 0.251 341 K C -1.442 175.298 176.600 0.234 0.000 0.941 341 K CA -0.792 55.526 56.287 0.053 0.000 0.808 341 K CB 2.236 34.708 32.500 -0.047 0.000 1.265 341 K HN 0.333 nan 8.250 nan 0.000 0.432 342 L N 3.164 124.535 121.223 0.248 0.000 2.462 342 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 342 L C 0.756 177.677 176.870 0.086 0.000 1.166 342 L CA 0.466 55.447 54.840 0.234 0.000 0.880 342 L CB 0.596 42.824 42.059 0.283 0.000 1.142 342 L HN 0.585 nan 8.230 nan 0.000 0.473 343 Q N 2.805 122.636 119.800 0.051 0.000 2.300 343 Q HA 0.157 4.497 4.340 -0.000 0.000 0.262 343 Q C -0.621 175.317 176.000 -0.104 0.000 1.109 343 Q CA 0.070 55.867 55.803 -0.010 0.000 0.905 343 Q CB 0.570 29.343 28.738 0.058 0.000 1.280 343 Q HN 0.579 nan 8.270 nan 0.000 0.426 344 S N 6.361 121.915 115.700 -0.244 0.000 2.789 344 S HA 0.472 4.942 4.470 -0.000 0.000 0.286 344 S C -2.346 172.075 174.600 -0.298 0.000 1.153 344 S CA -1.283 56.643 58.200 -0.457 0.000 1.084 344 S CB 0.969 63.663 63.200 -0.843 0.000 1.036 344 S HN 0.617 nan 8.310 nan 0.000 0.484 345 P HA 0.195 nan 4.420 nan 0.000 0.272 345 P C 0.079 177.293 177.300 -0.143 0.000 1.240 345 P CA -0.352 62.672 63.100 -0.128 0.000 0.791 345 P CB 0.618 32.281 31.700 -0.062 0.000 0.978 346 E N -0.393 119.749 120.200 -0.096 0.000 2.816 346 E HA 0.287 4.637 4.350 -0.000 0.000 0.260 346 E C -0.909 175.660 176.600 -0.052 0.000 1.414 346 E CA -0.565 55.782 56.400 -0.088 0.000 1.074 346 E CB 0.486 30.156 29.700 -0.049 0.000 1.123 346 E HN 0.162 nan 8.360 nan 0.000 0.664 347 V N 0.814 120.720 119.914 -0.014 0.000 2.624 347 V HA 0.267 4.387 4.120 -0.000 0.000 0.294 347 V C 0.853 177.016 176.094 0.113 0.000 1.077 347 V CA 0.005 62.332 62.300 0.045 0.000 0.905 347 V CB 1.012 32.854 31.823 0.031 0.000 1.025 347 V HN 0.827 nan 8.190 nan 0.000 0.440 348 R N 2.335 122.904 120.500 0.116 0.000 2.055 348 R HA -0.033 4.306 4.340 -0.000 0.000 0.226 348 R C 2.281 178.674 176.300 0.156 0.000 1.135 348 R CA 2.005 58.184 56.100 0.132 0.000 0.959 348 R CB -1.121 29.241 30.300 0.103 0.000 0.854 348 R HN 0.763 nan 8.270 nan 0.000 0.431 349 S N -0.386 115.411 115.700 0.161 0.000 2.432 349 S HA -0.234 4.236 4.470 -0.000 0.000 0.243 349 S C 1.649 176.300 174.600 0.085 0.000 1.069 349 S CA 2.069 60.376 58.200 0.179 0.000 1.047 349 S CB -0.557 62.804 63.200 0.269 0.000 0.854 349 S HN 0.661 nan 8.310 nan 0.000 0.474 350 F N 1.112 121.037 119.950 -0.041 0.000 2.512 350 F HA 0.110 4.637 4.527 -0.000 0.000 0.296 350 F C 1.690 177.526 175.800 0.060 0.000 1.110 350 F CA 0.974 58.904 58.000 -0.117 0.000 1.446 350 F CB -0.064 38.891 39.000 -0.075 0.000 1.092 350 F HN 0.157 nan 8.300 nan 0.000 0.554 351 D N 0.316 120.823 120.400 0.179 0.000 2.120 351 D HA -0.149 4.491 4.640 -0.000 0.000 0.202 351 D C 1.823 178.144 176.300 0.036 0.000 0.972 351 D CA 1.283 55.381 54.000 0.164 0.000 0.837 351 D CB -0.483 40.477 40.800 0.267 0.000 0.989 351 D HN 0.226 nan 8.370 nan 0.000 0.469 352 D N -0.410 120.023 120.400 0.055 0.000 2.190 352 D HA -0.194 4.446 4.640 -0.000 0.000 0.200 352 D C 1.776 178.086 176.300 0.018 0.000 0.992 352 D CA 0.771 54.798 54.000 0.046 0.000 0.854 352 D CB -0.069 40.777 40.800 0.077 0.000 0.936 352 D HN 0.311 nan 8.370 nan 0.000 0.462 353 Y N 0.131 120.319 120.300 -0.187 0.000 2.163 353 Y HA -0.112 4.438 4.550 -0.000 0.000 0.288 353 Y C 2.158 177.925 175.900 -0.221 0.000 1.112 353 Y CA 0.996 58.959 58.100 -0.228 0.000 1.104 353 Y CB -0.897 37.293 38.460 -0.451 0.000 1.016 353 Y HN -0.139 nan 8.280 nan 0.000 0.497 354 F N 0.931 120.482 119.950 -0.664 0.000 2.025 354 F HA -0.316 4.211 4.527 -0.000 0.000 0.297 354 F C 2.124 177.698 175.800 -0.377 0.000 1.132 354 F CA 2.345 59.958 58.000 -0.645 0.000 1.191 354 F CB -0.829 37.784 39.000 -0.644 0.000 0.963 354 F HN 0.107 nan 8.300 nan 0.000 0.481 355 L N -0.018 121.140 121.223 -0.108 0.000 2.137 355 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 355 L C 1.870 178.649 176.870 -0.151 0.000 1.085 355 L CA 1.716 56.466 54.840 -0.150 0.000 0.760 355 L CB -0.796 41.209 42.059 -0.091 0.000 0.893 355 L HN 0.161 nan 8.230 nan 0.000 0.434 356 K N 0.227 120.526 120.400 -0.169 0.000 2.504 356 K HA 0.179 4.498 4.320 -0.000 0.000 0.199 356 K C 0.106 176.614 176.600 -0.154 0.000 1.028 356 K CA -0.141 56.074 56.287 -0.120 0.000 1.164 356 K CB 0.024 32.470 32.500 -0.091 0.000 0.877 356 K HN 0.250 nan 8.250 nan 0.000 0.508 357 L N 2.216 123.305 121.223 -0.223 0.000 2.361 357 L HA 0.123 4.462 4.340 -0.000 0.000 0.278 357 L C 0.444 177.377 176.870 0.105 0.000 1.113 357 L CA -0.020 54.706 54.840 -0.190 0.000 0.849 357 L CB 0.437 42.261 42.059 -0.391 0.000 1.155 357 L HN 0.075 nan 8.230 nan 0.000 0.452 358 R N 2.313 122.834 120.500 0.034 0.000 2.643 358 R HA 0.207 4.547 4.340 -0.000 0.000 0.272 358 R C 0.628 176.926 176.300 -0.004 0.000 0.995 358 R CA -0.994 55.100 56.100 -0.009 0.000 1.032 358 R CB 1.380 31.638 30.300 -0.070 0.000 1.126 358 R HN 0.423 nan 8.270 nan 0.000 0.505 359 L N 1.701 122.720 121.223 -0.339 0.000 2.275 359 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 359 L C 1.112 177.905 176.870 -0.128 0.000 1.119 359 L CA 1.915 56.530 54.840 -0.375 0.000 0.790 359 L CB -0.331 41.193 42.059 -0.893 0.000 0.919 359 L HN 0.694 nan 8.230 nan 0.000 0.443 360 D N -3.590 116.740 120.400 -0.118 0.000 2.398 360 D HA -0.011 4.629 4.640 -0.000 0.000 0.210 360 D C 1.465 177.743 176.300 -0.036 0.000 1.094 360 D CA 0.992 54.954 54.000 -0.063 0.000 0.839 360 D CB -0.081 40.673 40.800 -0.077 0.000 0.963 360 D HN 0.402 nan 8.370 nan 0.000 0.506 361 T N -2.454 112.080 114.554 -0.035 0.000 3.023 361 T HA 0.027 4.377 4.350 -0.000 0.000 0.249 361 T C 0.892 175.570 174.700 -0.036 0.000 1.050 361 T CA -0.259 61.819 62.100 -0.036 0.000 1.088 361 T CB -0.296 68.543 68.868 -0.047 0.000 0.946 361 T HN -0.154 nan 8.240 nan 0.000 0.480 362 N N 3.028 121.710 118.700 -0.029 0.000 2.448 362 N HA 0.200 4.940 4.740 -0.000 0.000 0.250 362 N C 0.916 176.439 175.510 0.021 0.000 1.136 362 N CA 0.172 53.187 53.050 -0.059 0.000 0.953 362 N CB 0.788 39.130 38.487 -0.242 0.000 1.251 362 N HN 0.472 nan 8.380 nan 0.000 0.502 363 T N -0.200 114.349 114.554 -0.007 0.000 3.022 363 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 363 T C 1.452 176.146 174.700 -0.012 0.000 1.060 363 T CA -0.020 62.081 62.100 0.002 0.000 1.013 363 T CB 0.068 68.923 68.868 -0.021 0.000 0.982 363 T HN 0.533 nan 8.240 nan 0.000 0.508 364 R N 0.880 121.351 120.500 -0.049 0.000 2.254 364 R HA 0.201 4.541 4.340 -0.000 0.000 0.195 364 R C 0.602 177.009 176.300 0.179 0.000 0.957 364 R CA 0.073 56.113 56.100 -0.100 0.000 1.024 364 R CB -0.351 29.625 30.300 -0.540 0.000 0.952 364 R HN 0.145 nan 8.270 nan 0.000 0.484 365 N N 3.133 122.018 118.700 0.308 0.000 2.918 365 N HA 0.127 4.867 4.740 -0.000 0.000 0.247 365 N C -1.738 173.954 175.510 0.304 0.000 1.117 365 N CA -2.641 50.691 53.050 0.470 0.000 1.005 365 N CB 1.142 39.934 38.487 0.507 0.000 1.297 365 N HN -0.005 nan 8.380 nan 0.000 0.513 366 P HA -0.153 nan 4.420 nan 0.000 0.221 366 P C 0.911 178.198 177.300 -0.023 0.000 1.141 366 P CA 1.199 64.233 63.100 -0.110 0.000 0.794 366 P CB 0.127 31.589 31.700 -0.397 0.000 0.764 367 W N -1.669 119.820 121.300 0.315 0.000 2.481 367 W HA -0.004 4.655 4.660 -0.000 0.000 0.293 367 W C 2.133 178.914 176.519 0.436 0.000 1.201 367 W CA -0.137 57.413 57.345 0.341 0.000 1.328 367 W CB -1.619 28.040 29.460 0.330 0.000 1.112 367 W HN -0.113 nan 8.180 nan 0.000 0.546 368 F N 1.380 121.663 119.950 0.555 0.000 2.104 368 F HA -0.320 4.206 4.527 -0.000 0.000 0.289 368 F C -0.592 175.478 175.800 0.450 0.000 1.115 368 F CA 2.800 61.135 58.000 0.557 0.000 1.273 368 F CB -2.231 37.013 39.000 0.407 0.000 0.933 368 F HN -0.208 nan 8.300 nan 0.000 0.517 369 P HA -0.269 nan 4.420 nan 0.000 0.214 369 P C 1.703 179.072 177.300 0.114 0.000 1.172 369 P CA 2.765 65.906 63.100 0.068 0.000 0.925 369 P CB -0.273 31.405 31.700 -0.038 0.000 0.793 370 E N -1.408 118.909 120.200 0.194 0.000 2.065 370 E HA -0.275 4.075 4.350 -0.000 0.000 0.201 370 E C 1.943 178.698 176.600 0.259 0.000 1.016 370 E CA 1.380 57.913 56.400 0.223 0.000 0.818 370 E CB -0.743 29.133 29.700 0.293 0.000 0.749 370 E HN 0.102 nan 8.360 nan 0.000 0.453 371 F N 1.351 121.413 119.950 0.186 0.000 2.069 371 F HA -0.241 4.285 4.527 -0.000 0.000 0.298 371 F C 2.148 177.998 175.800 0.083 0.000 1.113 371 F CA 1.997 60.072 58.000 0.126 0.000 1.214 371 F CB -0.974 38.134 39.000 0.180 0.000 0.978 371 F HN 0.280 nan 8.300 nan 0.000 0.474 372 W N 1.760 122.601 121.300 -0.765 0.000 2.321 372 W HA -0.282 4.378 4.660 -0.000 0.000 0.306 372 W C 2.247 178.571 176.519 -0.325 0.000 1.217 372 W CA 2.487 59.356 57.345 -0.795 0.000 1.257 372 W CB -0.739 28.360 29.460 -0.601 0.000 1.145 372 W HN 0.292 nan 8.180 nan 0.000 0.509 373 Q N -1.508 118.353 119.800 0.102 0.000 1.990 373 Q HA -0.265 4.074 4.340 -0.000 0.000 0.200 373 Q C 2.460 178.507 176.000 0.077 0.000 0.980 373 Q CA 1.859 57.753 55.803 0.152 0.000 0.832 373 Q CB -1.050 27.839 28.738 0.251 0.000 0.897 373 Q HN 0.231 nan 8.270 nan 0.000 0.427 374 H N 0.639 119.774 119.070 0.108 0.000 2.390 374 H HA -0.148 4.407 4.556 -0.000 0.000 0.298 374 H C 2.117 177.356 175.328 -0.149 0.000 1.106 374 H CA 1.919 58.058 56.048 0.151 0.000 1.297 374 H CB 0.244 30.106 29.762 0.167 0.000 1.375 374 H HN -0.009 nan 8.280 nan 0.000 0.509 375 R N -0.028 120.315 120.500 -0.262 0.000 2.120 375 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 375 R C 1.237 176.958 176.300 -0.965 0.000 1.123 375 R CA 1.571 57.270 56.100 -0.668 0.000 0.975 375 R CB -0.534 28.939 30.300 -1.379 0.000 0.866 375 R HN 0.299 nan 8.270 nan 0.000 0.446 376 F N 0.121 119.767 119.950 -0.506 0.000 2.729 376 F HA 0.307 4.834 4.527 -0.000 0.000 0.315 376 F C -0.217 175.244 175.800 -0.565 0.000 1.102 376 F CA -0.609 57.102 58.000 -0.483 0.000 1.204 376 F CB 0.281 38.977 39.000 -0.506 0.000 1.052 376 F HN -0.102 nan 8.300 nan 0.000 0.551 377 Q N 1.097 120.441 119.800 -0.760 0.000 2.439 377 Q HA -0.217 4.123 4.340 -0.000 0.000 0.361 377 Q C -0.532 174.757 176.000 -1.185 0.000 1.408 377 Q CA 0.567 55.288 55.803 -1.804 0.000 1.052 377 Q CB -1.920 26.131 28.738 -1.145 0.000 1.233 377 Q HN 0.577 nan 8.270 nan 0.000 0.347 378 c N -1.274 116.901 118.600 -0.709 0.000 3.311 378 c HA 0.882 5.451 4.570 -0.000 0.000 0.325 378 c C -0.523 173.645 174.090 0.130 0.000 1.352 378 c CA -1.212 55.037 56.329 -0.133 0.000 1.308 378 c CB 2.122 44.591 42.510 -0.068 0.000 1.619 378 c HN 0.821 nan 8.230 nan 0.000 0.469 379 R N 1.131 121.724 120.500 0.155 0.000 2.854 379 R HA 0.883 5.223 4.340 -0.000 0.000 0.271 379 R C -1.689 174.667 176.300 0.092 0.000 0.996 379 R CA -0.798 55.399 56.100 0.161 0.000 0.961 379 R CB 1.262 31.665 30.300 0.171 0.000 1.182 379 R HN 0.806 nan 8.270 nan 0.000 0.479 380 L N 1.764 123.034 121.223 0.078 0.000 2.295 380 L HA 0.422 4.761 4.340 -0.000 0.000 0.285 380 L C -2.100 174.823 176.870 0.088 0.000 1.035 380 L CA -2.530 52.348 54.840 0.064 0.000 0.806 380 L CB 1.814 43.901 42.059 0.048 0.000 1.214 380 L HN 0.443 nan 8.230 nan 0.000 0.426 381 P HA -0.028 nan 4.420 nan 0.000 0.257 381 P C 0.482 177.822 177.300 0.066 0.000 1.189 381 P CA 0.415 63.547 63.100 0.053 0.000 0.780 381 P CB 0.297 32.015 31.700 0.030 0.000 0.772 382 G N 2.827 111.666 108.800 0.065 0.000 2.334 382 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.279 382 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.279 382 G C -0.181 174.768 174.900 0.081 0.000 0.918 382 G CA -0.084 45.052 45.100 0.059 0.000 1.314 382 G HN 0.750 nan 8.290 nan 0.000 0.463 383 H N 0.502 119.585 119.070 0.021 0.000 2.529 383 H HA 0.577 5.133 4.556 -0.000 0.000 0.348 383 H C 1.589 176.936 175.328 0.031 0.000 1.079 383 H CA -0.030 56.031 56.048 0.022 0.000 1.198 383 H CB 1.158 30.934 29.762 0.023 0.000 1.521 383 H HN 0.689 nan 8.280 nan 0.000 0.514 384 L N 4.504 125.887 121.223 0.266 0.000 2.357 384 L HA -0.071 4.269 4.340 -0.000 0.000 0.220 384 L C 1.412 178.461 176.870 0.297 0.000 1.123 384 L CA 2.018 56.996 54.840 0.230 0.000 0.782 384 L CB -1.282 40.842 42.059 0.107 0.000 0.910 384 L HN 0.620 nan 8.230 nan 0.000 0.442 385 L N -0.280 121.199 121.223 0.428 0.000 3.141 385 L HA 0.340 4.680 4.340 -0.000 0.000 0.263 385 L C 0.612 177.511 176.870 0.048 0.000 1.312 385 L CA -0.256 54.654 54.840 0.118 0.000 1.012 385 L CB 0.376 42.422 42.059 -0.022 0.000 1.408 385 L HN 0.561 nan 8.230 nan 0.000 0.559 386 E N 1.022 121.285 120.200 0.104 0.000 2.301 386 E HA 0.170 4.520 4.350 -0.000 0.000 0.275 386 E C -0.503 176.140 176.600 0.073 0.000 1.030 386 E CA -0.422 56.031 56.400 0.088 0.000 0.852 386 E CB 1.040 30.799 29.700 0.099 0.000 1.060 386 E HN 0.207 nan 8.360 nan 0.000 0.401 387 N N 3.404 122.147 118.700 0.072 0.000 2.443 387 N HA 0.214 4.954 4.740 -0.000 0.000 0.295 387 N C -1.889 173.588 175.510 -0.055 0.000 1.076 387 N CA -1.508 51.542 53.050 -0.001 0.000 0.919 387 N CB 1.720 40.196 38.487 -0.018 0.000 1.176 387 N HN 0.438 nan 8.380 nan 0.000 0.487 388 P HA 0.131 nan 4.420 nan 0.000 0.257 388 P C 0.058 177.253 177.300 -0.174 0.000 1.241 388 P CA 0.360 63.403 63.100 -0.096 0.000 0.816 388 P CB 0.689 32.352 31.700 -0.063 0.000 1.150 389 N N -0.264 118.205 118.700 -0.385 0.000 2.412 389 N HA 0.089 4.829 4.740 -0.000 0.000 0.184 389 N C 0.261 175.469 175.510 -0.503 0.000 1.101 389 N CA 0.481 53.217 53.050 -0.523 0.000 0.881 389 N CB 0.035 38.064 38.487 -0.764 0.000 0.969 389 N HN 0.292 nan 8.380 nan 0.000 0.459 390 F N -0.172 119.774 119.950 -0.007 0.000 2.556 390 F HA 0.394 4.921 4.527 -0.000 0.000 0.327 390 F C 1.373 177.172 175.800 -0.001 0.000 1.059 390 F CA -0.986 57.008 58.000 -0.010 0.000 0.953 390 F CB 2.135 41.130 39.000 -0.010 0.000 1.227 390 F HN -0.360 nan 8.300 nan 0.000 0.478 391 K N 0.312 120.841 120.400 0.214 0.000 2.403 391 K HA 0.118 4.438 4.320 -0.000 0.000 0.199 391 K C 0.182 176.831 176.600 0.081 0.000 1.199 391 K CA -0.090 56.263 56.287 0.110 0.000 0.924 391 K CB 0.468 33.012 32.500 0.074 0.000 1.137 391 K HN 0.474 nan 8.250 nan 0.000 0.510 392 K N 1.230 121.670 120.400 0.067 0.000 2.136 392 K HA 0.292 4.611 4.320 -0.000 0.000 0.237 392 K C 0.029 176.648 176.600 0.032 0.000 1.048 392 K CA -0.473 55.831 56.287 0.029 0.000 0.880 392 K CB 0.595 33.092 32.500 -0.005 0.000 1.105 392 K HN -0.278 nan 8.250 nan 0.000 0.507 393 V N 0.387 120.307 119.914 0.011 0.000 2.667 393 V HA 0.137 4.257 4.120 -0.000 0.000 0.308 393 V C -0.451 175.640 176.094 -0.004 0.000 1.048 393 V CA -1.062 61.245 62.300 0.012 0.000 0.928 393 V CB 1.685 33.510 31.823 0.004 0.000 1.004 393 V HN 0.882 nan 8.190 nan 0.000 0.444 394 c N 2.855 121.460 118.600 0.008 0.000 2.373 394 c HA 0.251 4.821 4.570 -0.000 0.000 0.354 394 c C 2.019 176.091 174.090 -0.031 0.000 1.249 394 c CA 0.010 56.345 56.329 0.011 0.000 1.784 394 c CB -0.271 42.287 42.510 0.080 0.000 2.408 394 c HN 1.057 nan 8.230 nan 0.000 0.542 395 T N -0.508 114.016 114.554 -0.050 0.000 3.098 395 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 395 T C 1.567 176.215 174.700 -0.087 0.000 1.145 395 T CA 0.944 63.005 62.100 -0.064 0.000 1.092 395 T CB -0.347 68.481 68.868 -0.067 0.000 0.908 395 T HN 1.592 nan 8.240 nan 0.000 0.526 396 G N 1.613 110.355 108.800 -0.098 0.000 2.225 396 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.267 396 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.267 396 G C 0.513 175.335 174.900 -0.129 0.000 1.024 396 G CA 0.490 45.463 45.100 -0.212 0.000 0.784 396 G HN 0.648 nan 8.290 nan 0.000 0.507 397 N N -0.626 118.038 118.700 -0.061 0.000 2.266 397 N HA 0.032 4.772 4.740 -0.000 0.000 0.217 397 N C 0.303 175.763 175.510 -0.083 0.000 1.211 397 N CA 0.198 53.216 53.050 -0.054 0.000 0.881 397 N CB 0.728 39.175 38.487 -0.066 0.000 1.153 397 N HN 0.493 nan 8.380 nan 0.000 0.489 398 E N 1.203 121.271 120.200 -0.219 0.000 2.534 398 E HA -0.003 4.347 4.350 -0.000 0.000 0.264 398 E C -0.616 175.757 176.600 -0.377 0.000 0.981 398 E CA 0.606 56.725 56.400 -0.469 0.000 0.948 398 E CB 0.588 29.587 29.700 -1.168 0.000 0.934 398 E HN 0.016 nan 8.360 nan 0.000 0.459 399 S N 2.531 118.124 115.700 -0.179 0.000 2.438 399 S HA 0.166 4.636 4.470 -0.000 0.000 0.293 399 S C 1.016 175.669 174.600 0.088 0.000 1.141 399 S CA -0.581 57.600 58.200 -0.031 0.000 1.080 399 S CB 0.430 63.630 63.200 0.000 0.000 0.978 399 S HN 0.431 nan 8.310 nan 0.000 0.479 400 L N 2.926 124.212 121.223 0.104 0.000 2.551 400 L HA -0.110 4.229 4.340 -0.000 0.000 0.230 400 L C 2.142 179.050 176.870 0.064 0.000 1.163 400 L CA 0.990 55.902 54.840 0.120 0.000 0.826 400 L CB -0.386 41.682 42.059 0.015 0.000 0.943 400 L HN 0.699 nan 8.230 nan 0.000 0.452 401 E N 0.606 120.843 120.200 0.061 0.000 2.152 401 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 401 E C 0.633 177.331 176.600 0.162 0.000 0.983 401 E CA 0.232 56.691 56.400 0.098 0.000 0.818 401 E CB -0.025 29.724 29.700 0.082 0.000 0.758 401 E HN 0.621 nan 8.360 nan 0.000 0.467 402 E N 1.747 122.024 120.200 0.128 0.000 2.415 402 E HA -0.101 4.249 4.350 -0.000 0.000 0.260 402 E C -0.200 176.467 176.600 0.112 0.000 1.016 402 E CA 0.232 56.698 56.400 0.109 0.000 0.924 402 E CB 0.020 29.775 29.700 0.091 0.000 0.961 402 E HN 0.146 nan 8.360 nan 0.000 0.459 403 N N 2.067 120.826 118.700 0.098 0.000 2.725 403 N HA -0.282 4.458 4.740 -0.000 0.000 0.249 403 N C -1.147 174.438 175.510 0.124 0.000 1.103 403 N CA 0.037 53.132 53.050 0.075 0.000 0.707 403 N CB -0.703 37.804 38.487 0.033 0.000 1.043 403 N HN 0.655 nan 8.380 nan 0.000 0.553 404 Y N 0.675 120.993 120.300 0.030 0.000 2.359 404 Y HA 0.483 5.033 4.550 -0.000 0.000 0.330 404 Y C -0.400 175.510 175.900 0.016 0.000 1.143 404 Y CA -0.144 57.982 58.100 0.042 0.000 1.318 404 Y CB 0.958 39.472 38.460 0.090 0.000 1.234 404 Y HN -0.059 nan 8.280 nan 0.000 0.522 405 V N 6.945 126.474 119.914 -0.642 0.000 2.668 405 V HA 0.207 4.327 4.120 -0.000 0.000 0.304 405 V C -0.627 174.952 176.094 -0.858 0.000 1.071 405 V CA -1.173 60.724 62.300 -0.671 0.000 0.894 405 V CB 1.682 33.333 31.823 -0.286 0.000 1.008 405 V HN 0.769 nan 8.190 nan 0.000 0.425 406 Q N 2.508 121.830 119.800 -0.797 0.000 2.304 406 Q HA 0.143 4.483 4.340 -0.000 0.000 0.260 406 Q C -0.081 175.704 176.000 -0.359 0.000 0.965 406 Q CA -0.434 55.071 55.803 -0.497 0.000 0.898 406 Q CB 0.909 29.466 28.738 -0.302 0.000 1.196 406 Q HN 0.833 nan 8.270 nan 0.000 0.402 407 D N 2.091 122.280 120.400 -0.352 0.000 2.662 407 D HA -0.123 4.516 4.640 -0.000 0.000 0.233 407 D C 0.918 177.018 176.300 -0.333 0.000 1.129 407 D CA 0.926 54.725 54.000 -0.334 0.000 0.851 407 D CB 0.855 41.404 40.800 -0.418 0.000 1.152 407 D HN 0.616 nan 8.370 nan 0.000 0.507 408 S N 4.074 119.610 115.700 -0.273 0.000 2.387 408 S HA -0.209 4.261 4.470 -0.000 0.000 0.230 408 S C 1.366 175.773 174.600 -0.322 0.000 1.035 408 S CA 0.781 58.824 58.200 -0.262 0.000 1.014 408 S CB -0.104 62.977 63.200 -0.198 0.000 0.836 408 S HN 0.481 nan 8.310 nan 0.000 0.466 409 K N 0.394 120.589 120.400 -0.340 0.000 2.437 409 K HA 0.346 4.665 4.320 -0.000 0.000 0.198 409 K C 1.377 177.731 176.600 -0.409 0.000 1.024 409 K CA 0.009 56.088 56.287 -0.346 0.000 1.148 409 K CB -0.330 32.047 32.500 -0.206 0.000 0.860 409 K HN 0.457 nan 8.250 nan 0.000 0.515 410 M N 1.116 120.446 119.600 -0.451 0.000 2.255 410 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 410 M C 1.961 178.056 176.300 -0.343 0.000 1.069 410 M CA 2.464 57.479 55.300 -0.474 0.000 1.089 410 M CB -1.124 31.158 32.600 -0.529 0.000 1.269 410 M HN 0.247 nan 8.290 nan 0.000 0.434 411 G N -0.494 108.111 108.800 -0.325 0.000 2.624 411 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.221 411 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.221 411 G C 1.287 176.164 174.900 -0.039 0.000 1.169 411 G CA 1.581 46.557 45.100 -0.206 0.000 0.771 411 G HN 0.509 nan 8.290 nan 0.000 0.598 412 F N 0.719 120.627 119.950 -0.069 0.000 2.095 412 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 412 F C 2.974 178.790 175.800 0.027 0.000 1.104 412 F CA 0.510 58.509 58.000 -0.001 0.000 1.232 412 F CB -1.277 37.733 39.000 0.017 0.000 0.987 412 F HN 0.012 nan 8.300 nan 0.000 0.475 413 V N 1.008 120.950 119.914 0.047 0.000 2.214 413 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 413 V C 2.498 178.628 176.094 0.061 0.000 1.051 413 V CA 2.185 64.440 62.300 -0.076 0.000 1.003 413 V CB -0.857 30.708 31.823 -0.429 0.000 0.635 413 V HN 0.270 nan 8.190 nan 0.000 0.447 414 I N 0.413 120.986 120.570 0.005 0.000 2.143 414 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 414 I C 2.457 178.700 176.117 0.210 0.000 1.068 414 I CA 2.066 63.407 61.300 0.068 0.000 1.326 414 I CB -0.820 37.244 38.000 0.106 0.000 1.028 414 I HN 0.414 nan 8.210 nan 0.000 0.412 415 N N 1.083 119.970 118.700 0.312 0.000 2.069 415 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 415 N C 1.963 177.736 175.510 0.438 0.000 1.031 415 N CA 1.794 55.118 53.050 0.457 0.000 0.852 415 N CB -0.477 38.267 38.487 0.428 0.000 1.018 415 N HN 0.419 nan 8.380 nan 0.000 0.423 416 A N 1.308 124.334 122.820 0.344 0.000 1.927 416 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 416 A C 2.356 180.092 177.584 0.253 0.000 1.185 416 A CA 1.288 53.511 52.037 0.310 0.000 0.639 416 A CB -0.790 18.400 19.000 0.317 0.000 0.820 416 A HN 0.271 nan 8.150 nan 0.000 0.451 417 I N -2.475 118.211 120.570 0.194 0.000 2.133 417 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 417 I C 2.399 178.566 176.117 0.084 0.000 1.074 417 I CA 1.686 63.039 61.300 0.089 0.000 1.342 417 I CB -0.656 37.336 38.000 -0.014 0.000 1.053 417 I HN 0.409 nan 8.210 nan 0.000 0.404 418 Y N 0.810 121.120 120.300 0.016 0.000 2.181 418 Y HA -0.350 4.200 4.550 -0.000 0.000 0.284 418 Y C 2.607 178.397 175.900 -0.182 0.000 1.179 418 Y CA 0.935 58.943 58.100 -0.153 0.000 1.179 418 Y CB -0.281 38.024 38.460 -0.258 0.000 0.973 418 Y HN 0.214 nan 8.280 nan 0.000 0.519 419 A N -0.854 122.125 122.820 0.266 0.000 2.121 419 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 419 A C 1.990 179.772 177.584 0.329 0.000 1.154 419 A CA 1.515 53.874 52.037 0.537 0.000 0.679 419 A CB -0.539 18.953 19.000 0.820 0.000 0.795 419 A HN 0.501 nan 8.150 nan 0.000 0.458 420 M N -0.592 119.121 119.600 0.189 0.000 2.388 420 M HA 0.269 4.749 4.480 -0.000 0.000 0.265 420 M C 1.971 178.303 176.300 0.053 0.000 1.088 420 M CA 1.163 56.521 55.300 0.097 0.000 1.134 420 M CB -0.469 32.160 32.600 0.049 0.000 1.384 420 M HN 0.314 nan 8.290 nan 0.000 0.447 421 A N -0.774 122.063 122.820 0.027 0.000 1.840 421 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 421 A C 2.097 179.642 177.584 -0.065 0.000 1.198 421 A CA 1.499 53.502 52.037 -0.057 0.000 0.608 421 A CB -1.255 17.681 19.000 -0.106 0.000 0.839 421 A HN 0.610 nan 8.150 nan 0.000 0.443 422 H N -0.279 118.788 119.070 -0.005 0.000 2.431 422 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 422 H C 2.364 177.741 175.328 0.082 0.000 1.115 422 H CA 1.443 57.513 56.048 0.035 0.000 1.277 422 H CB -0.591 29.227 29.762 0.094 0.000 1.372 422 H HN 0.517 nan 8.280 nan 0.000 0.516 423 G N 0.548 109.478 108.800 0.218 0.000 2.421 423 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 423 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 423 G C 1.962 176.898 174.900 0.060 0.000 1.171 423 G CA 0.759 45.970 45.100 0.185 0.000 0.775 423 G HN 0.271 nan 8.290 nan 0.000 0.543 424 L N -0.171 121.041 121.223 -0.019 0.000 2.005 424 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 424 L C 2.849 179.604 176.870 -0.192 0.000 1.072 424 L CA 1.498 56.268 54.840 -0.116 0.000 0.744 424 L CB -0.673 41.327 42.059 -0.100 0.000 0.895 424 L HN 0.227 nan 8.230 nan 0.000 0.433 425 Q N 1.175 120.860 119.800 -0.191 0.000 2.062 425 Q HA -0.293 4.047 4.340 -0.000 0.000 0.209 425 Q C 2.158 177.872 176.000 -0.476 0.000 0.996 425 Q CA 2.920 58.526 55.803 -0.329 0.000 0.859 425 Q CB -0.897 27.687 28.738 -0.257 0.000 0.920 425 Q HN 0.520 nan 8.270 nan 0.000 0.415 426 N N 0.033 118.611 118.700 -0.203 0.000 2.289 426 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 426 N C 1.736 177.055 175.510 -0.320 0.000 1.016 426 N CA 1.595 54.604 53.050 -0.067 0.000 0.872 426 N CB -0.603 38.025 38.487 0.234 0.000 0.973 426 N HN 0.597 nan 8.380 nan 0.000 0.433 427 M N -1.019 118.153 119.600 -0.714 0.000 2.200 427 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 427 M C 2.285 178.192 176.300 -0.654 0.000 1.066 427 M CA 1.508 55.875 55.300 -1.556 0.000 1.127 427 M CB -0.284 31.648 32.600 -1.113 0.000 1.379 427 M HN 0.652 nan 8.290 nan 0.000 0.420 428 H N -0.308 118.503 119.070 -0.431 0.000 2.267 428 H HA -0.224 4.331 4.556 -0.000 0.000 0.297 428 H C 1.669 176.974 175.328 -0.038 0.000 1.080 428 H CA 2.653 58.577 56.048 -0.207 0.000 1.278 428 H CB -0.710 28.948 29.762 -0.173 0.000 1.365 428 H HN 0.624 nan 8.280 nan 0.000 0.489 429 H N -0.298 118.775 119.070 0.004 0.000 2.357 429 H HA -0.178 4.378 4.556 -0.000 0.000 0.296 429 H C 2.352 177.661 175.328 -0.033 0.000 1.108 429 H CA 0.874 56.918 56.048 -0.006 0.000 1.273 429 H CB 0.112 29.925 29.762 0.085 0.000 1.367 429 H HN 0.491 nan 8.280 nan 0.000 0.498 430 A N 0.762 123.654 122.820 0.120 0.000 1.874 430 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 430 A C 2.080 179.715 177.584 0.084 0.000 1.189 430 A CA 0.819 52.950 52.037 0.157 0.000 0.615 430 A CB -0.226 19.000 19.000 0.377 0.000 0.830 430 A HN 0.273 nan 8.150 nan 0.000 0.443 431 L N -1.050 120.174 121.223 0.002 0.000 2.628 431 L HA 0.125 4.465 4.340 -0.000 0.000 0.229 431 L C -0.230 176.606 176.870 -0.057 0.000 1.137 431 L CA -0.231 54.608 54.840 -0.001 0.000 0.909 431 L CB 0.262 42.322 42.059 0.003 0.000 1.137 431 L HN 0.384 nan 8.230 nan 0.000 0.470 432 c N 0.373 118.899 118.600 -0.123 0.000 3.236 432 c HA 0.233 4.802 4.570 -0.000 0.000 0.208 432 c C -2.180 171.870 174.090 -0.067 0.000 1.879 432 c CA -1.095 55.163 56.329 -0.119 0.000 1.262 432 c CB 0.012 42.285 42.510 -0.395 0.000 2.186 432 c HN 0.122 nan 8.230 nan 0.000 0.552 433 P HA 0.202 nan 4.420 nan 0.000 0.266 433 P C 1.045 178.315 177.300 -0.050 0.000 1.195 433 P CA 1.931 65.020 63.100 -0.018 0.000 0.768 433 P CB 0.741 32.442 31.700 0.001 0.000 0.838 434 G N 1.430 110.190 108.800 -0.068 0.000 2.353 434 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.258 434 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.258 434 G C 0.461 175.271 174.900 -0.150 0.000 1.013 434 G CA 0.133 45.160 45.100 -0.122 0.000 0.622 434 G HN 0.742 nan 8.290 nan 0.000 0.535 435 H N 0.230 119.292 119.070 -0.014 0.000 2.629 435 H HA 0.358 4.914 4.556 -0.000 0.000 0.357 435 H C 1.758 177.165 175.328 0.132 0.000 1.121 435 H CA 0.522 56.590 56.048 0.033 0.000 1.406 435 H CB 1.591 31.356 29.762 0.005 0.000 1.456 435 H HN 0.071 nan 8.280 nan 0.000 0.579 436 V N 2.359 122.423 119.914 0.250 0.000 2.331 436 V HA 0.040 4.160 4.120 -0.000 0.000 0.242 436 V C 1.662 177.878 176.094 0.203 0.000 1.034 436 V CA 1.487 63.903 62.300 0.193 0.000 1.027 436 V CB -0.500 31.387 31.823 0.107 0.000 0.667 436 V HN 0.820 nan 8.190 nan 0.000 0.457 437 G N -0.504 108.409 108.800 0.188 0.000 3.075 437 G HA2 0.510 4.469 3.960 -0.000 0.000 0.156 437 G HA3 0.510 4.469 3.960 -0.000 0.000 0.156 437 G C -0.577 174.426 174.900 0.172 0.000 1.403 437 G CA -0.791 44.373 45.100 0.107 0.000 1.033 437 G HN 0.200 nan 8.290 nan 0.000 0.589 438 L N 1.281 122.547 121.223 0.072 0.000 2.278 438 L HA 0.275 4.614 4.340 -0.000 0.000 0.287 438 L C 0.912 177.767 176.870 -0.026 0.000 1.072 438 L CA -0.884 53.991 54.840 0.058 0.000 0.819 438 L CB 0.589 42.654 42.059 0.010 0.000 1.176 438 L HN 0.654 nan 8.230 nan 0.000 0.435 439 c N 0.324 118.856 118.600 -0.113 0.000 2.563 439 c HA 0.177 4.746 4.570 -0.000 0.000 0.358 439 c C 1.778 175.748 174.090 -0.200 0.000 1.336 439 c CA -0.632 55.486 56.329 -0.352 0.000 2.454 439 c CB 1.022 43.101 42.510 -0.718 0.000 2.448 439 c HN 0.926 nan 8.230 nan 0.000 0.670 440 D N 0.916 121.196 120.400 -0.200 0.000 2.149 440 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 440 D C 2.165 178.423 176.300 -0.070 0.000 1.001 440 D CA 2.408 56.349 54.000 -0.098 0.000 0.849 440 D CB -0.257 40.500 40.800 -0.072 0.000 0.939 440 D HN 0.829 nan 8.370 nan 0.000 0.449 441 A N -0.396 122.375 122.820 -0.081 0.000 2.084 441 A HA -0.167 4.153 4.320 -0.000 0.000 0.221 441 A C 2.146 179.714 177.584 -0.027 0.000 1.161 441 A CA 1.496 53.509 52.037 -0.041 0.000 0.653 441 A CB -0.530 18.447 19.000 -0.037 0.000 0.802 441 A HN 0.410 nan 8.150 nan 0.000 0.457 442 M N -1.623 117.954 119.600 -0.039 0.000 2.356 442 M HA 0.134 4.614 4.480 -0.000 0.000 0.262 442 M C -0.323 175.966 176.300 -0.018 0.000 1.097 442 M CA 0.282 55.568 55.300 -0.023 0.000 0.991 442 M CB 0.497 33.084 32.600 -0.022 0.000 1.450 442 M HN 0.053 nan 8.290 nan 0.000 0.495 443 K N 2.432 122.819 120.400 -0.021 0.000 2.414 443 K HA 0.340 4.660 4.320 -0.000 0.000 0.251 443 K C -2.254 174.341 176.600 -0.008 0.000 1.037 443 K CA -1.385 54.893 56.287 -0.015 0.000 0.980 443 K CB 1.178 33.666 32.500 -0.021 0.000 1.280 443 K HN 0.030 nan 8.250 nan 0.000 0.451 444 P HA 0.244 nan 4.420 nan 0.000 0.279 444 P C -0.257 177.044 177.300 0.001 0.000 1.282 444 P CA -0.516 62.583 63.100 -0.001 0.000 0.788 444 P CB 1.010 32.712 31.700 0.004 0.000 1.139 445 I N 0.900 121.470 120.570 -0.000 0.000 2.352 445 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 445 I C 0.931 177.058 176.117 0.018 0.000 1.036 445 I CA -0.270 61.033 61.300 0.004 0.000 1.336 445 I CB 0.232 38.228 38.000 -0.006 0.000 1.407 445 I HN 0.320 nan 8.210 nan 0.000 0.497 446 D N 5.771 126.194 120.400 0.038 0.000 2.371 446 D HA 0.047 4.686 4.640 -0.000 0.000 0.256 446 D C 1.025 177.365 176.300 0.066 0.000 1.193 446 D CA 0.149 54.182 54.000 0.055 0.000 0.881 446 D CB 1.736 42.582 40.800 0.077 0.000 1.143 446 D HN 0.724 nan 8.370 nan 0.000 0.473 447 G N 4.880 113.705 108.800 0.042 0.000 2.666 447 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.215 447 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.215 447 G C 1.476 176.451 174.900 0.126 0.000 1.294 447 G CA 0.835 45.950 45.100 0.025 0.000 0.811 447 G HN 0.654 nan 8.290 nan 0.000 0.594 448 R N 0.431 121.042 120.500 0.184 0.000 2.159 448 R HA -0.231 4.109 4.340 -0.000 0.000 0.252 448 R C 2.652 179.062 176.300 0.184 0.000 1.144 448 R CA 2.301 58.562 56.100 0.269 0.000 0.961 448 R CB -0.259 30.157 30.300 0.193 0.000 0.877 448 R HN 0.390 nan 8.270 nan 0.000 0.444 449 K N -0.014 120.484 120.400 0.162 0.000 1.985 449 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 449 K C 2.000 178.783 176.600 0.306 0.000 1.047 449 K CA 1.402 57.803 56.287 0.191 0.000 0.932 449 K CB -0.413 32.240 32.500 0.256 0.000 0.716 449 K HN 0.098 nan 8.250 nan 0.000 0.439 450 L N 1.635 123.041 121.223 0.306 0.000 2.197 450 L HA -0.195 4.144 4.340 -0.000 0.000 0.215 450 L C 1.870 178.883 176.870 0.238 0.000 1.095 450 L CA 1.378 56.397 54.840 0.299 0.000 0.764 450 L CB -0.513 41.627 42.059 0.135 0.000 0.897 450 L HN 0.164 nan 8.230 nan 0.000 0.436 451 L N -0.533 120.802 121.223 0.187 0.000 1.994 451 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 451 L C 2.199 179.092 176.870 0.039 0.000 1.071 451 L CA 2.021 56.935 54.840 0.123 0.000 0.745 451 L CB -1.042 41.114 42.059 0.162 0.000 0.892 451 L HN 0.316 nan 8.230 nan 0.000 0.431 452 D N -0.610 119.780 120.400 -0.015 0.000 2.108 452 D HA -0.252 4.388 4.640 -0.000 0.000 0.190 452 D C 2.160 178.397 176.300 -0.106 0.000 0.995 452 D CA 1.965 55.888 54.000 -0.129 0.000 0.834 452 D CB -0.379 40.252 40.800 -0.282 0.000 0.967 452 D HN 0.306 nan 8.370 nan 0.000 0.446 453 F N 1.068 121.045 119.950 0.046 0.000 2.085 453 F HA -0.236 4.290 4.527 -0.000 0.000 0.299 453 F C 2.604 178.447 175.800 0.071 0.000 1.096 453 F CA 0.866 58.904 58.000 0.064 0.000 1.227 453 F CB -0.943 38.094 39.000 0.060 0.000 0.983 453 F HN -0.017 nan 8.300 nan 0.000 0.482 454 L N -0.551 120.795 121.223 0.205 0.000 1.956 454 L HA -0.290 4.050 4.340 -0.000 0.000 0.216 454 L C 2.533 179.405 176.870 0.002 0.000 1.073 454 L CA 1.173 56.060 54.840 0.078 0.000 0.762 454 L CB -0.785 41.245 42.059 -0.049 0.000 0.889 454 L HN 0.087 nan 8.230 nan 0.000 0.433 455 I N 0.261 120.780 120.570 -0.086 0.000 2.087 455 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 455 I C 1.954 178.192 176.117 0.201 0.000 1.054 455 I CA 1.885 63.167 61.300 -0.030 0.000 1.311 455 I CB -0.941 37.051 38.000 -0.013 0.000 1.024 455 I HN 0.314 nan 8.210 nan 0.000 0.402 456 K N 0.776 121.260 120.400 0.140 0.000 2.668 456 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 456 K C 0.364 177.099 176.600 0.225 0.000 1.016 456 K CA -0.072 56.311 56.287 0.159 0.000 1.131 456 K CB -0.084 32.458 32.500 0.069 0.000 0.891 456 K HN 0.133 nan 8.250 nan 0.000 0.499 457 S N 0.673 116.563 115.700 0.316 0.000 2.541 457 S HA 0.376 4.845 4.470 -0.000 0.000 0.283 457 S C -0.295 174.513 174.600 0.347 0.000 1.196 457 S CA -0.880 57.531 58.200 0.352 0.000 1.062 457 S CB 1.526 64.981 63.200 0.425 0.000 1.009 457 S HN 0.322 nan 8.310 nan 0.000 0.502 458 S N 1.826 117.660 115.700 0.223 0.000 2.564 458 S HA 0.923 5.393 4.470 -0.000 0.000 0.274 458 S C -0.968 173.641 174.600 0.016 0.000 1.124 458 S CA -0.906 57.337 58.200 0.071 0.000 0.869 458 S CB 1.377 64.608 63.200 0.051 0.000 1.105 458 S HN 0.860 nan 8.310 nan 0.000 0.472 459 F N -1.591 118.276 119.950 -0.139 0.000 2.900 459 F HA 0.681 5.208 4.527 -0.000 0.000 0.321 459 F C -2.036 173.695 175.800 -0.114 0.000 1.160 459 F CA -1.511 56.335 58.000 -0.257 0.000 0.890 459 F CB 0.332 38.915 39.000 -0.696 0.000 1.334 459 F HN 0.449 nan 8.300 nan 0.000 0.459 460 V N 2.563 122.639 119.914 0.270 0.000 2.455 460 V HA 0.566 4.686 4.120 -0.000 0.000 0.273 460 V C 1.063 177.349 176.094 0.321 0.000 1.045 460 V CA 0.033 62.441 62.300 0.179 0.000 0.976 460 V CB 0.278 32.168 31.823 0.112 0.000 0.993 460 V HN 1.127 nan 8.190 nan 0.000 0.475 461 G N 2.578 111.488 108.800 0.183 0.000 2.732 461 G HA2 0.218 4.178 3.960 -0.000 0.000 0.244 461 G HA3 0.218 4.178 3.960 -0.000 0.000 0.244 461 G C 1.081 176.078 174.900 0.162 0.000 1.226 461 G CA 0.073 45.318 45.100 0.241 0.000 0.860 461 G HN 0.658 nan 8.290 nan 0.000 0.583 462 V N 0.285 120.306 119.914 0.177 0.000 2.759 462 V HA -0.075 4.045 4.120 -0.000 0.000 0.256 462 V C 2.218 178.379 176.094 0.112 0.000 1.080 462 V CA 2.496 64.882 62.300 0.143 0.000 1.101 462 V CB -0.181 31.794 31.823 0.254 0.000 0.698 462 V HN 0.748 nan 8.190 nan 0.000 0.477 463 S N -1.050 114.707 115.700 0.095 0.000 2.539 463 S HA 0.475 4.945 4.470 -0.000 0.000 0.221 463 S C 1.304 175.941 174.600 0.062 0.000 0.987 463 S CA 0.401 58.640 58.200 0.066 0.000 0.929 463 S CB 0.949 64.171 63.200 0.037 0.000 0.832 463 S HN 1.227 nan 8.310 nan 0.000 0.492 464 G N 2.302 111.145 108.800 0.071 0.000 2.148 464 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.203 464 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.203 464 G C -0.188 174.752 174.900 0.066 0.000 0.993 464 G CA -0.074 45.064 45.100 0.063 0.000 0.661 464 G HN 0.673 nan 8.290 nan 0.000 0.518 465 E N 0.634 120.876 120.200 0.070 0.000 2.345 465 E HA 0.523 4.873 4.350 -0.000 0.000 0.259 465 E C -0.734 175.878 176.600 0.020 0.000 1.117 465 E CA -0.554 55.883 56.400 0.063 0.000 0.913 465 E CB 1.217 30.953 29.700 0.060 0.000 1.057 465 E HN 0.154 nan 8.360 nan 0.000 0.432 466 E N 1.060 121.271 120.200 0.019 0.000 2.167 466 E HA 0.299 4.648 4.350 -0.000 0.000 0.284 466 E C -0.830 175.713 176.600 -0.095 0.000 1.016 466 E CA -0.661 55.740 56.400 0.002 0.000 0.817 466 E CB 1.722 31.483 29.700 0.101 0.000 1.080 466 E HN 0.277 nan 8.360 nan 0.000 0.397 467 V N 5.848 125.578 119.914 -0.307 0.000 2.409 467 V HA 0.556 4.676 4.120 -0.000 0.000 0.291 467 V C -0.282 175.506 176.094 -0.510 0.000 1.020 467 V CA -0.756 61.162 62.300 -0.637 0.000 0.848 467 V CB 0.957 32.011 31.823 -1.281 0.000 0.990 467 V HN 0.581 nan 8.190 nan 0.000 0.430 468 W N 4.108 124.971 121.300 -0.728 0.000 2.982 468 W HA 0.726 5.386 4.660 -0.000 0.000 0.344 468 W C -2.649 173.429 176.519 -0.735 0.000 1.215 468 W CA -1.409 55.582 57.345 -0.590 0.000 1.182 468 W CB 1.032 30.333 29.460 -0.265 0.000 1.437 468 W HN 0.356 nan 8.180 nan 0.000 0.570 469 F N 1.841 121.866 119.950 0.124 0.000 2.563 469 F HA 0.350 4.877 4.527 -0.000 0.000 0.316 469 F C 0.755 176.670 175.800 0.193 0.000 1.076 469 F CA -0.602 57.373 58.000 -0.041 0.000 0.921 469 F CB 1.304 40.305 39.000 0.002 0.000 1.209 469 F HN 0.228 nan 8.300 nan 0.000 0.462 470 D N 0.160 120.703 120.400 0.238 0.000 2.403 470 D HA 0.039 4.679 4.640 -0.000 0.000 0.278 470 D C 1.039 177.466 176.300 0.213 0.000 1.230 470 D CA -0.181 53.994 54.000 0.291 0.000 1.062 470 D CB 0.028 40.935 40.800 0.178 0.000 1.119 470 D HN 0.671 nan 8.370 nan 0.000 0.557 471 E N -0.310 119.978 120.200 0.147 0.000 2.358 471 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 471 E C 0.827 177.466 176.600 0.066 0.000 1.010 471 E CA 0.721 57.177 56.400 0.093 0.000 0.856 471 E CB -0.208 29.530 29.700 0.063 0.000 0.795 471 E HN 0.478 nan 8.360 nan 0.000 0.504 472 K N -0.091 120.355 120.400 0.077 0.000 2.358 472 K HA 0.206 4.526 4.320 -0.000 0.000 0.197 472 K C 0.767 177.423 176.600 0.093 0.000 1.025 472 K CA 0.399 56.724 56.287 0.062 0.000 1.104 472 K CB 0.872 33.403 32.500 0.051 0.000 0.855 472 K HN 0.249 nan 8.250 nan 0.000 0.531 473 G N 2.178 111.050 108.800 0.120 0.000 2.132 473 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.234 473 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.234 473 G C -0.674 174.372 174.900 0.243 0.000 0.989 473 G CA -0.265 44.927 45.100 0.154 0.000 0.676 473 G HN 0.262 nan 8.290 nan 0.000 0.522 474 D N 0.657 121.147 120.400 0.150 0.000 2.210 474 D HA 0.634 5.273 4.640 -0.000 0.000 0.249 474 D C 0.644 176.865 176.300 -0.132 0.000 1.062 474 D CA 0.623 54.650 54.000 0.046 0.000 0.891 474 D CB 1.755 42.559 40.800 0.007 0.000 1.186 474 D HN 0.555 nan 8.370 nan 0.000 0.432 475 A N 2.559 125.228 122.820 -0.251 0.000 2.282 475 A HA 0.598 4.918 4.320 -0.000 0.000 0.319 475 A C -2.312 174.942 177.584 -0.549 0.000 1.121 475 A CA -1.269 50.426 52.037 -0.569 0.000 0.836 475 A CB 0.523 19.209 19.000 -0.523 0.000 1.146 475 A HN 0.366 nan 8.150 nan 0.000 0.494 476 P HA 0.206 nan 4.420 nan 0.000 0.271 476 P C 0.205 177.366 177.300 -0.232 0.000 1.218 476 P CA 0.277 63.125 63.100 -0.420 0.000 0.780 476 P CB 0.766 32.235 31.700 -0.385 0.000 0.901 477 G N 2.428 111.224 108.800 -0.006 0.000 2.444 477 G HA2 0.546 4.505 3.960 -0.000 0.000 0.268 477 G HA3 0.546 4.505 3.960 -0.000 0.000 0.268 477 G C -0.337 174.597 174.900 0.056 0.000 1.203 477 G CA -0.789 44.344 45.100 0.055 0.000 0.835 477 G HN 0.677 nan 8.290 nan 0.000 0.543 478 R N 1.577 121.945 120.500 -0.219 0.000 3.172 478 R HA 0.227 4.567 4.340 -0.000 0.000 0.259 478 R C -1.767 174.447 176.300 -0.144 0.000 1.618 478 R CA -0.717 55.344 56.100 -0.064 0.000 1.047 478 R CB -0.045 30.152 30.300 -0.172 0.000 1.438 478 R HN 0.471 nan 8.270 nan 0.000 0.427 479 Y N 0.535 120.991 120.300 0.259 0.000 2.719 479 Y HA 0.563 5.113 4.550 -0.000 0.000 0.335 479 Y C 0.427 176.427 175.900 0.167 0.000 1.198 479 Y CA -0.757 57.434 58.100 0.153 0.000 1.274 479 Y CB 1.014 39.503 38.460 0.048 0.000 1.500 479 Y HN 0.327 nan 8.280 nan 0.000 0.616 480 D N 0.157 120.727 120.400 0.284 0.000 2.575 480 D HA 0.372 5.011 4.640 -0.000 0.000 0.236 480 D C -1.132 175.264 176.300 0.159 0.000 1.075 480 D CA -0.245 53.862 54.000 0.178 0.000 0.860 480 D CB 2.442 43.180 40.800 -0.103 0.000 1.475 480 D HN 0.206 nan 8.370 nan 0.000 0.474 481 I N 2.560 123.253 120.570 0.205 0.000 2.307 481 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 481 I C 0.124 176.305 176.117 0.108 0.000 1.054 481 I CA -0.400 60.970 61.300 0.117 0.000 1.218 481 I CB 0.488 38.564 38.000 0.126 0.000 1.398 481 I HN 0.169 nan 8.210 nan 0.000 0.475 482 M N 5.275 124.890 119.600 0.025 0.000 2.314 482 M HA 0.292 4.771 4.480 -0.000 0.000 0.342 482 M C 0.133 176.441 176.300 0.012 0.000 1.171 482 M CA -0.147 55.180 55.300 0.046 0.000 1.098 482 M CB 0.792 33.407 32.600 0.025 0.000 1.559 482 M HN 0.445 nan 8.290 nan 0.000 0.459 483 N N 2.526 121.262 118.700 0.060 0.000 2.519 483 N HA 0.274 5.014 4.740 -0.000 0.000 0.286 483 N C -1.781 173.739 175.510 0.018 0.000 1.079 483 N CA -0.552 52.507 53.050 0.014 0.000 0.878 483 N CB 1.512 40.020 38.487 0.034 0.000 1.375 483 N HN 0.496 nan 8.380 nan 0.000 0.514 484 L N 4.588 125.766 121.223 -0.074 0.000 2.407 484 L HA 0.230 4.570 4.340 -0.000 0.000 0.282 484 L C -0.260 176.603 176.870 -0.012 0.000 1.110 484 L CA 0.484 55.227 54.840 -0.162 0.000 0.863 484 L CB -0.001 41.849 42.059 -0.348 0.000 1.207 484 L HN 0.593 nan 8.230 nan 0.000 0.454 485 Q N 3.507 123.352 119.800 0.075 0.000 2.683 485 Q HA 0.357 4.697 4.340 -0.000 0.000 0.302 485 Q C -1.396 174.789 176.000 0.309 0.000 1.042 485 Q CA -0.981 54.937 55.803 0.192 0.000 0.773 485 Q CB 1.193 30.018 28.738 0.146 0.000 1.508 485 Q HN 0.466 nan 8.270 nan 0.000 0.459 486 Y N 2.381 122.797 120.300 0.192 0.000 2.425 486 Y HA 0.205 4.754 4.550 -0.000 0.000 0.347 486 Y C -0.048 175.855 175.900 0.005 0.000 0.976 486 Y CA -0.091 58.029 58.100 0.033 0.000 1.190 486 Y CB 0.780 39.196 38.460 -0.074 0.000 1.136 486 Y HN 0.730 nan 8.280 nan 0.000 0.517 487 T N 1.495 115.962 114.554 -0.145 0.000 2.791 487 T HA -0.049 4.301 4.350 -0.000 0.000 0.323 487 T C 1.224 175.896 174.700 -0.047 0.000 1.082 487 T CA -0.215 61.839 62.100 -0.077 0.000 1.084 487 T CB 0.816 69.615 68.868 -0.115 0.000 0.992 487 T HN 0.745 nan 8.240 nan 0.000 0.547 488 E N 0.829 121.040 120.200 0.018 0.000 2.333 488 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 488 E C 1.432 178.040 176.600 0.014 0.000 1.007 488 E CA 1.222 57.652 56.400 0.051 0.000 0.845 488 E CB -1.063 28.664 29.700 0.045 0.000 0.766 488 E HN 0.757 nan 8.360 nan 0.000 0.507 489 A N 1.479 124.261 122.820 -0.064 0.000 3.187 489 A HA 0.290 4.610 4.320 -0.000 0.000 0.172 489 A C 1.390 178.888 177.584 -0.144 0.000 1.530 489 A CA 1.477 53.460 52.037 -0.090 0.000 0.741 489 A CB -0.897 18.038 19.000 -0.110 0.000 1.079 489 A HN 0.594 nan 8.150 nan 0.000 0.486 490 N N -1.955 116.571 118.700 -0.290 0.000 2.805 490 N HA 0.624 5.364 4.740 -0.000 0.000 0.216 490 N C -0.588 174.623 175.510 -0.499 0.000 1.447 490 N CA 1.170 54.005 53.050 -0.358 0.000 0.785 490 N CB 0.304 38.733 38.487 -0.096 0.000 1.458 490 N HN 1.543 nan 8.380 nan 0.000 0.547 491 R N -0.088 119.851 120.500 -0.935 0.000 2.833 491 R HA 0.637 4.977 4.340 -0.000 0.000 0.259 491 R C -2.136 173.790 176.300 -0.624 0.000 1.047 491 R CA -0.757 54.984 56.100 -0.598 0.000 0.916 491 R CB -0.219 29.926 30.300 -0.259 0.000 1.259 491 R HN 0.608 nan 8.270 nan 0.000 0.482 492 Y N 2.001 122.190 120.300 -0.185 0.000 2.425 492 Y HA 0.564 5.114 4.550 -0.000 0.000 0.347 492 Y C 0.253 176.104 175.900 -0.081 0.000 0.976 492 Y CA -0.171 57.889 58.100 -0.066 0.000 1.190 492 Y CB 1.353 39.833 38.460 0.035 0.000 1.136 492 Y HN 0.731 nan 8.280 nan 0.000 0.517 493 D N 1.182 121.623 120.400 0.069 0.000 2.523 493 D HA 0.255 4.894 4.640 -0.000 0.000 0.236 493 D C -1.379 174.955 176.300 0.055 0.000 1.094 493 D CA -0.795 53.245 54.000 0.067 0.000 0.942 493 D CB 1.489 42.329 40.800 0.068 0.000 1.447 493 D HN 0.252 nan 8.370 nan 0.000 0.479 494 Y N 0.242 120.581 120.300 0.065 0.000 2.436 494 Y HA 0.328 4.878 4.550 -0.000 0.000 0.343 494 Y C 0.406 176.331 175.900 0.042 0.000 1.008 494 Y CA -0.366 57.761 58.100 0.045 0.000 1.241 494 Y CB 1.024 39.497 38.460 0.022 0.000 1.153 494 Y HN -0.108 nan 8.280 nan 0.000 0.521 495 V N 4.011 124.033 119.914 0.181 0.000 2.398 495 V HA 0.118 4.238 4.120 -0.000 0.000 0.286 495 V C 0.037 176.234 176.094 0.171 0.000 1.026 495 V CA -1.029 61.359 62.300 0.146 0.000 0.868 495 V CB 0.943 32.826 31.823 0.101 0.000 0.982 495 V HN 0.770 nan 8.190 nan 0.000 0.443 496 H N 3.929 123.028 119.070 0.048 0.000 2.929 496 H HA 0.246 4.802 4.556 -0.000 0.000 0.317 496 H C 0.660 175.997 175.328 0.015 0.000 1.031 496 H CA 0.256 56.323 56.048 0.032 0.000 1.466 496 H CB 1.377 31.155 29.762 0.026 0.000 1.482 496 H HN 0.606 nan 8.280 nan 0.000 0.561 497 V N 1.675 121.627 119.914 0.063 0.000 3.251 497 V HA 0.500 4.620 4.120 -0.000 0.000 0.239 497 V C 0.700 176.721 176.094 -0.123 0.000 1.332 497 V CA 0.687 62.936 62.300 -0.085 0.000 1.224 497 V CB 0.607 32.417 31.823 -0.021 0.000 1.004 497 V HN 0.729 nan 8.190 nan 0.000 0.464 498 G N 0.457 109.269 108.800 0.019 0.000 2.694 498 G HA2 0.653 4.613 3.960 -0.000 0.000 0.290 498 G HA3 0.653 4.613 3.960 -0.000 0.000 0.290 498 G C -0.734 174.290 174.900 0.208 0.000 1.386 498 G CA 0.105 45.240 45.100 0.058 0.000 0.872 498 G HN 0.709 nan 8.290 nan 0.000 0.475 499 T N -3.344 111.338 114.554 0.213 0.000 2.888 499 T HA 0.681 5.031 4.350 -0.000 0.000 0.288 499 T C -1.812 173.121 174.700 0.389 0.000 1.063 499 T CA -0.853 61.437 62.100 0.317 0.000 1.010 499 T CB 2.476 71.505 68.868 0.267 0.000 1.214 499 T HN 0.820 nan 8.240 nan 0.000 0.533 500 W N 1.265 122.704 121.300 0.232 0.000 2.534 500 W HA 0.448 5.108 4.660 -0.000 0.000 0.292 500 W C -1.201 175.456 176.519 0.231 0.000 1.027 500 W CA -0.493 56.985 57.345 0.222 0.000 1.304 500 W CB 0.698 30.307 29.460 0.248 0.000 1.187 500 W HN 0.925 nan 8.180 nan 0.000 0.356 501 H N 3.759 122.748 119.070 -0.135 0.000 2.553 501 H HA 0.245 4.801 4.556 -0.000 0.000 0.222 501 H C -0.117 174.989 175.328 -0.369 0.000 1.779 501 H CA 0.446 56.409 56.048 -0.143 0.000 1.241 501 H CB -0.119 29.603 29.762 -0.067 0.000 1.647 501 H HN 0.486 nan 8.280 nan 0.000 0.523 502 E N 0.823 120.591 120.200 -0.720 0.000 2.271 502 E HA -0.196 4.153 4.350 -0.000 0.000 0.215 502 E C 1.006 177.160 176.600 -0.744 0.000 1.256 502 E CA 0.496 56.491 56.400 -0.675 0.000 0.678 502 E CB -1.309 28.276 29.700 -0.192 0.000 1.187 502 E HN 0.969 nan 8.360 nan 0.000 0.392 503 G N -1.176 106.814 108.800 -1.349 0.000 2.241 503 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 503 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 503 G C 0.377 175.021 174.900 -0.428 0.000 0.998 503 G CA -0.012 44.758 45.100 -0.550 0.000 0.621 503 G HN 0.533 nan 8.290 nan 0.000 0.519 504 V N 2.248 121.862 119.914 -0.499 0.000 2.339 504 V HA 0.558 4.678 4.120 -0.000 0.000 0.261 504 V C 0.343 176.299 176.094 -0.230 0.000 1.058 504 V CA -0.414 61.733 62.300 -0.255 0.000 0.897 504 V CB 1.136 32.865 31.823 -0.156 0.000 1.052 504 V HN 0.411 nan 8.190 nan 0.000 0.480 505 L N 6.846 128.017 121.223 -0.087 0.000 2.265 505 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 505 L C -0.005 176.901 176.870 0.061 0.000 1.058 505 L CA 0.439 55.317 54.840 0.064 0.000 0.809 505 L CB 0.647 42.817 42.059 0.185 0.000 1.179 505 L HN 0.538 nan 8.230 nan 0.000 0.429 506 N N 6.762 125.509 118.700 0.080 0.000 2.314 506 N HA 0.639 5.379 4.740 -0.000 0.000 0.304 506 N C -1.141 174.398 175.510 0.048 0.000 1.073 506 N CA -0.326 52.749 53.050 0.042 0.000 0.822 506 N CB 2.492 40.989 38.487 0.017 0.000 1.280 506 N HN 0.491 nan 8.380 nan 0.000 0.489 507 I N 0.289 120.862 120.570 0.005 0.000 2.680 507 I HA 0.092 4.262 4.170 -0.000 0.000 0.291 507 I C -1.032 175.023 176.117 -0.104 0.000 1.244 507 I CA -0.672 60.615 61.300 -0.021 0.000 1.042 507 I CB 2.773 40.801 38.000 0.047 0.000 1.277 507 I HN 0.193 nan 8.210 nan 0.000 0.423 508 D N 5.950 126.216 120.400 -0.222 0.000 2.508 508 D HA 0.057 4.697 4.640 -0.000 0.000 0.224 508 D C 0.609 176.665 176.300 -0.406 0.000 1.171 508 D CA 0.025 53.745 54.000 -0.466 0.000 1.006 508 D CB 0.799 41.053 40.800 -0.909 0.000 1.073 508 D HN 0.443 nan 8.370 nan 0.000 0.513 509 D N 0.792 121.091 120.400 -0.169 0.000 2.254 509 D HA -0.236 4.404 4.640 -0.000 0.000 0.201 509 D C 1.716 178.009 176.300 -0.012 0.000 0.998 509 D CA 1.199 55.156 54.000 -0.071 0.000 0.885 509 D CB 0.031 40.802 40.800 -0.048 0.000 0.915 509 D HN 0.668 nan 8.370 nan 0.000 0.460 510 Y N 0.030 120.334 120.300 0.007 0.000 2.583 510 Y HA 0.191 4.741 4.550 -0.000 0.000 0.293 510 Y C 1.695 177.611 175.900 0.027 0.000 1.157 510 Y CA 0.212 58.320 58.100 0.014 0.000 1.315 510 Y CB -0.189 38.274 38.460 0.005 0.000 1.021 510 Y HN -0.211 nan 8.280 nan 0.000 0.536 511 K N 0.441 120.723 120.400 -0.196 0.000 2.334 511 K HA 0.272 4.592 4.320 -0.000 0.000 0.195 511 K C 0.380 176.982 176.600 0.004 0.000 1.045 511 K CA 0.163 56.392 56.287 -0.096 0.000 1.004 511 K CB 0.453 32.811 32.500 -0.238 0.000 0.837 511 K HN 0.277 nan 8.250 nan 0.000 0.510 512 I N 0.000 120.580 120.570 0.017 0.000 2.984 512 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 512 I CA 0.000 61.344 61.300 0.074 0.000 1.566 512 I CB 0.000 38.068 38.000 0.114 0.000 1.214 512 I HN 0.000 nan 8.210 nan 0.000 0.494