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 3d2e_1_C DATA FIRST_RESID 2 DATA SEQUENCE STPFGLDLGN NNSVLAVARN RGIDIVVNEV SNRSTPSVVG FGPKNRYLGE DATA SEQUENCE TGKNKQTSNI KNTVANLKRI IGLDYHHPDF EQESKHFTSK LVELDDKKTG DATA SEQUENCE AEVRFAGEKH VFSATQLAAX FIDKVKDTVK QDTKANITDV CIAVPPWYTE DATA SEQUENCE EQRYNIADAA RIAGLNPVRI VNDVTAAGVS YGIFKTDLPE GEEKPRIVAF DATA SEQUENCE VDIGHSSYTC SIXAFKKGQL KVLGTACDKH FGGRDFDLAI TEHFADEFKT DATA SEQUENCE KYKIDIRENP KAYNRILTAA EKLKKVLSAN TNAPFSVESV XNDVDVSSQL DATA SEQUENCE SREELEELVK PLLERVTEPV TKALAQAKLS AEEVDFVEII GGTTRIPTLK DATA SEQUENCE QSISEAFGKP LSTTLNQDEA IAKGAAFICA IHSPTLRVRP FKFEDIHPYS DATA SEQUENCE VSYSWDKQVE DEDHXEVFPA GSSFPSTKLI TLNRTGDFSX AASYTDITQL DATA SEQUENCE PPNTPEQIAN WEITGVQLPE GQDSVPVKLK LRCDPSGLHT IEEAYTIXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXKTVKKD DLTIVAHTFG LDAKKLNELI DATA SEQUENCE EKENEXLAQD KLVAETEDRK NTLEEYIYTL RGKLEEEYAP FASDAEKTKL DATA SEQUENCE QGXLNKAEEW LYDEGFDSIK AKYIAKYEEL ASLGNIIRGR YLAKEEEKKQ DATA SEQUENCE AIRS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.016 0.000 1.055 2 S CA 0.000 58.207 58.200 0.012 0.000 1.107 2 S CB 0.000 63.212 63.200 0.021 0.000 0.593 3 T N 0.637 115.202 114.554 0.018 0.000 2.795 3 T HA 0.691 5.041 4.350 -0.000 0.000 0.282 3 T C -2.961 171.777 174.700 0.063 0.000 0.980 3 T CA -1.986 60.131 62.100 0.028 0.000 1.012 3 T CB 0.371 69.247 68.868 0.014 0.000 0.936 3 T HN 0.370 nan 8.240 nan 0.000 0.457 4 P HA 0.211 nan 4.420 nan 0.000 0.265 4 P C -1.315 176.088 177.300 0.173 0.000 1.193 4 P CA -0.080 63.074 63.100 0.091 0.000 0.765 4 P CB -0.008 31.719 31.700 0.045 0.000 0.823 5 F N 2.606 122.551 119.950 -0.008 0.000 2.507 5 F HA 0.632 5.159 4.527 -0.000 0.000 0.328 5 F C -0.116 175.679 175.800 -0.008 0.000 1.136 5 F CA -0.760 57.234 58.000 -0.011 0.000 0.930 5 F CB 1.492 40.479 39.000 -0.021 0.000 1.166 5 F HN 0.341 nan 8.300 nan 0.000 0.436 6 G N 6.980 115.779 108.800 -0.002 0.000 2.343 6 G HA2 0.507 4.467 3.960 -0.000 0.000 0.319 6 G HA3 0.507 4.467 3.960 -0.000 0.000 0.319 6 G C -1.961 172.751 174.900 -0.314 0.000 1.126 6 G CA -0.737 44.238 45.100 -0.209 0.000 0.889 6 G HN 0.733 nan 8.290 nan 0.000 0.457 7 L N 2.937 123.909 121.223 -0.419 0.000 2.342 7 L HA 0.339 4.679 4.340 -0.000 0.000 0.276 7 L C -1.108 175.687 176.870 -0.124 0.000 0.997 7 L CA -0.817 53.860 54.840 -0.271 0.000 0.838 7 L CB 1.788 43.611 42.059 -0.394 0.000 1.224 7 L HN 0.468 nan 8.230 nan 0.000 0.416 8 D N 5.827 126.202 120.400 -0.042 0.000 2.393 8 D HA 0.125 4.765 4.640 -0.000 0.000 0.232 8 D C -0.376 175.927 176.300 0.006 0.000 1.192 8 D CA 0.027 54.006 54.000 -0.036 0.000 0.882 8 D CB 0.755 41.541 40.800 -0.023 0.000 1.038 8 D HN 0.463 nan 8.370 nan 0.000 0.499 9 L N 4.532 125.745 121.223 -0.017 0.000 2.358 9 L HA 0.444 4.784 4.340 -0.000 0.000 0.274 9 L C 0.708 177.557 176.870 -0.035 0.000 1.136 9 L CA -0.548 54.309 54.840 0.030 0.000 0.970 9 L CB 0.110 42.197 42.059 0.046 0.000 1.314 9 L HN 0.393 nan 8.230 nan 0.000 0.427 10 G N 1.428 110.211 108.800 -0.028 0.000 2.539 10 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.258 10 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.258 10 G C 0.638 175.493 174.900 -0.075 0.000 1.202 10 G CA -0.419 44.657 45.100 -0.042 0.000 0.851 10 G HN 0.692 nan 8.290 nan 0.000 0.556 11 N N 0.068 118.753 118.700 -0.024 0.000 2.188 11 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 11 N C 1.694 177.089 175.510 -0.191 0.000 1.018 11 N CA 1.064 54.097 53.050 -0.028 0.000 0.858 11 N CB 0.036 38.608 38.487 0.142 0.000 0.989 11 N HN 0.669 nan 8.380 nan 0.000 0.426 12 N N 0.143 118.683 118.700 -0.265 0.000 2.428 12 N HA -0.031 4.709 4.740 -0.000 0.000 0.181 12 N C -0.417 174.947 175.510 -0.243 0.000 1.028 12 N CA 0.415 53.205 53.050 -0.433 0.000 0.877 12 N CB 0.380 38.543 38.487 -0.539 0.000 1.064 12 N HN 0.329 nan 8.380 nan 0.000 0.434 13 N N -0.593 118.021 118.700 -0.144 0.000 2.416 13 N HA 0.200 4.940 4.740 -0.000 0.000 0.276 13 N C -1.767 173.736 175.510 -0.011 0.000 1.261 13 N CA -0.497 52.509 53.050 -0.073 0.000 0.790 13 N CB 2.035 40.496 38.487 -0.043 0.000 1.554 13 N HN -0.188 nan 8.380 nan 0.000 0.481 14 S N 0.357 116.105 115.700 0.081 0.000 2.503 14 S HA 0.543 5.013 4.470 -0.000 0.000 0.301 14 S C -0.435 174.238 174.600 0.123 0.000 1.087 14 S CA -0.611 57.680 58.200 0.152 0.000 1.042 14 S CB 1.586 65.018 63.200 0.386 0.000 1.043 14 S HN 0.412 nan 8.310 nan 0.000 0.489 15 V N 3.765 123.733 119.914 0.091 0.000 2.555 15 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 15 V C -1.172 174.986 176.094 0.108 0.000 1.038 15 V CA -0.860 61.485 62.300 0.075 0.000 0.887 15 V CB 1.382 33.228 31.823 0.039 0.000 0.991 15 V HN 0.583 nan 8.190 nan 0.000 0.434 16 L N 4.198 125.496 121.223 0.124 0.000 2.313 16 L HA 0.903 5.242 4.340 -0.000 0.000 0.283 16 L C 0.241 177.206 176.870 0.158 0.000 1.013 16 L CA -0.502 54.467 54.840 0.215 0.000 0.816 16 L CB 1.099 43.245 42.059 0.145 0.000 1.236 16 L HN 0.836 nan 8.230 nan 0.000 0.419 17 A N 2.777 125.727 122.820 0.217 0.000 2.454 17 A HA 0.931 5.251 4.320 -0.000 0.000 0.302 17 A C -1.406 176.298 177.584 0.200 0.000 1.079 17 A CA -0.657 51.470 52.037 0.149 0.000 0.731 17 A CB 2.187 21.244 19.000 0.095 0.000 1.299 17 A HN 0.415 nan 8.150 nan 0.000 0.413 18 V N 0.560 120.549 119.914 0.125 0.000 2.760 18 V HA 0.698 4.818 4.120 -0.000 0.000 0.309 18 V C -0.092 176.052 176.094 0.084 0.000 1.077 18 V CA -0.066 62.304 62.300 0.115 0.000 0.910 18 V CB 1.980 33.836 31.823 0.055 0.000 1.008 18 V HN 1.627 nan 8.190 nan 0.000 0.424 19 A N 6.419 129.286 122.820 0.079 0.000 2.279 19 A HA 0.900 5.220 4.320 -0.000 0.000 0.306 19 A C -0.114 177.495 177.584 0.042 0.000 1.300 19 A CA -0.332 51.743 52.037 0.063 0.000 0.925 19 A CB 0.104 19.133 19.000 0.049 0.000 1.152 19 A HN 0.998 nan 8.150 nan 0.000 0.544 20 R N 2.086 122.608 120.500 0.037 0.000 2.716 20 R HA 0.646 4.986 4.340 -0.000 0.000 0.271 20 R C 0.158 176.471 176.300 0.021 0.000 1.028 20 R CA -0.336 55.778 56.100 0.023 0.000 0.883 20 R CB 0.373 30.681 30.300 0.014 0.000 1.250 20 R HN 0.634 nan 8.270 nan 0.000 0.465 21 N N -0.970 117.738 118.700 0.014 0.000 1.188 21 N HA -0.439 4.301 4.740 -0.000 0.000 0.128 21 N C 1.478 176.997 175.510 0.015 0.000 0.759 21 N CA 2.660 55.716 53.050 0.011 0.000 0.905 21 N CB -0.864 37.628 38.487 0.007 0.000 1.156 21 N HN 0.860 nan 8.380 nan 0.000 0.553 22 R N 0.319 120.827 120.500 0.013 0.000 2.122 22 R HA 0.076 4.416 4.340 -0.000 0.000 0.236 22 R C 1.740 178.058 176.300 0.030 0.000 1.129 22 R CA 3.227 59.335 56.100 0.014 0.000 0.925 22 R CB -1.729 28.573 30.300 0.004 0.000 0.850 22 R HN 0.784 nan 8.270 nan 0.000 0.431 23 G N -1.999 106.823 108.800 0.037 0.000 3.517 23 G HA2 0.482 4.442 3.960 -0.000 0.000 0.173 23 G HA3 0.482 4.442 3.960 -0.000 0.000 0.173 23 G C -0.908 174.035 174.900 0.072 0.000 1.340 23 G CA 0.189 45.327 45.100 0.063 0.000 1.228 23 G HN 0.412 nan 8.290 nan 0.000 0.745 24 I N 1.935 122.548 120.570 0.071 0.000 2.499 24 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 24 I C -1.702 174.449 176.117 0.056 0.000 1.048 24 I CA -0.632 60.714 61.300 0.076 0.000 1.062 24 I CB 2.548 40.608 38.000 0.100 0.000 1.238 24 I HN 0.135 nan 8.210 nan 0.000 0.426 25 D N 6.802 127.231 120.400 0.049 0.000 2.375 25 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 25 D C -0.276 176.046 176.300 0.037 0.000 1.061 25 D CA -0.403 53.618 54.000 0.035 0.000 0.834 25 D CB 2.686 43.499 40.800 0.021 0.000 1.247 25 D HN 0.155 nan 8.370 nan 0.000 0.489 26 I N 2.103 122.691 120.570 0.030 0.000 2.533 26 I HA 0.016 4.186 4.170 -0.000 0.000 0.284 26 I C 0.491 176.617 176.117 0.015 0.000 1.109 26 I CA -0.150 61.167 61.300 0.029 0.000 1.412 26 I CB 0.672 38.685 38.000 0.022 0.000 1.396 26 I HN 0.029 nan 8.210 nan 0.000 0.543 27 V N 8.069 127.991 119.914 0.013 0.000 2.461 27 V HA 0.186 4.306 4.120 -0.000 0.000 0.275 27 V C 0.513 176.597 176.094 -0.016 0.000 1.047 27 V CA -0.576 61.714 62.300 -0.017 0.000 0.955 27 V CB 1.709 33.499 31.823 -0.054 0.000 0.988 27 V HN 0.415 nan 8.190 nan 0.000 0.471 28 V N 6.786 126.687 119.914 -0.022 0.000 2.732 28 V HA 0.211 4.331 4.120 -0.000 0.000 0.297 28 V C 0.744 176.819 176.094 -0.031 0.000 1.060 28 V CA -0.297 61.991 62.300 -0.020 0.000 1.038 28 V CB 1.430 33.242 31.823 -0.018 0.000 1.003 28 V HN 1.105 nan 8.190 nan 0.000 0.481 29 N N 3.557 122.242 118.700 -0.025 0.000 2.431 29 N HA 0.170 4.910 4.740 -0.000 0.000 0.289 29 N C 0.888 176.378 175.510 -0.032 0.000 1.277 29 N CA -0.418 52.612 53.050 -0.033 0.000 0.972 29 N CB 0.544 39.017 38.487 -0.023 0.000 1.143 29 N HN 0.686 nan 8.380 nan 0.000 0.578 30 E N -0.023 120.156 120.200 -0.034 0.000 2.274 30 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 30 E C 1.591 178.175 176.600 -0.026 0.000 0.996 30 E CA 0.934 57.315 56.400 -0.033 0.000 0.840 30 E CB -0.367 29.312 29.700 -0.035 0.000 0.772 30 E HN 0.478 nan 8.360 nan 0.000 0.491 31 V N -0.840 119.061 119.914 -0.021 0.000 3.633 31 V HA 0.382 4.502 4.120 -0.000 0.000 0.283 31 V C 1.077 177.161 176.094 -0.017 0.000 1.305 31 V CA 1.436 63.725 62.300 -0.019 0.000 1.153 31 V CB -0.909 30.903 31.823 -0.018 0.000 0.950 31 V HN 0.500 nan 8.190 nan 0.000 0.432 32 S N 0.105 115.794 115.700 -0.017 0.000 3.091 32 S HA -0.193 4.277 4.470 -0.000 0.000 0.275 32 S C 0.175 174.768 174.600 -0.012 0.000 1.306 32 S CA 0.932 59.122 58.200 -0.015 0.000 1.083 32 S CB -2.757 60.434 63.200 -0.014 0.000 1.313 32 S HN 0.690 nan 8.310 nan 0.000 0.673 33 N N 0.623 119.318 118.700 -0.009 0.000 2.530 33 N HA 0.408 5.148 4.740 -0.000 0.000 0.277 33 N C 1.182 176.691 175.510 -0.001 0.000 1.168 33 N CA -0.489 52.558 53.050 -0.005 0.000 0.979 33 N CB 0.558 39.044 38.487 -0.002 0.000 1.141 33 N HN 0.512 nan 8.380 nan 0.000 0.459 34 R N -0.248 120.253 120.500 0.002 0.000 2.275 34 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 34 R C 0.227 176.537 176.300 0.015 0.000 0.989 34 R CA 0.400 56.504 56.100 0.006 0.000 1.016 34 R CB 0.062 30.364 30.300 0.003 0.000 0.918 34 R HN 0.636 nan 8.270 nan 0.000 0.473 35 S N -0.583 115.127 115.700 0.018 0.000 2.632 35 S HA 0.414 4.884 4.470 -0.000 0.000 0.289 35 S C -0.372 174.254 174.600 0.043 0.000 1.115 35 S CA -0.803 57.417 58.200 0.033 0.000 0.889 35 S CB 2.535 65.749 63.200 0.024 0.000 1.116 35 S HN 0.026 nan 8.310 nan 0.000 0.486 36 T N 0.294 114.900 114.554 0.085 0.000 2.841 36 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 36 T C -3.216 171.564 174.700 0.133 0.000 1.000 36 T CA -2.266 59.901 62.100 0.113 0.000 0.977 36 T CB 1.018 69.959 68.868 0.122 0.000 0.979 36 T HN 0.374 nan 8.240 nan 0.000 0.446 37 P HA 0.122 nan 4.420 nan 0.000 0.261 37 P C -0.346 176.901 177.300 -0.088 0.000 1.183 37 P CA 0.057 63.143 63.100 -0.023 0.000 0.761 37 P CB 0.299 31.985 31.700 -0.024 0.000 0.785 38 S N 2.273 117.771 115.700 -0.338 0.000 4.183 38 S HA 0.211 4.681 4.470 -0.000 0.000 0.195 38 S C 0.108 174.359 174.600 -0.583 0.000 1.421 38 S CA -0.264 57.419 58.200 -0.861 0.000 0.920 38 S CB -0.635 62.153 63.200 -0.687 0.000 1.525 38 S HN 0.155 nan 8.310 nan 0.000 0.447 39 V N 2.051 121.754 119.914 -0.352 0.000 2.531 39 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 39 V C -0.259 175.796 176.094 -0.065 0.000 1.034 39 V CA -0.749 61.458 62.300 -0.156 0.000 0.865 39 V CB 2.018 33.795 31.823 -0.077 0.000 0.995 39 V HN 0.269 nan 8.190 nan 0.000 0.424 40 V N 4.029 123.895 119.914 -0.081 0.000 2.350 40 V HA 0.811 4.931 4.120 -0.000 0.000 0.285 40 V C 0.622 176.578 176.094 -0.231 0.000 1.014 40 V CA -0.078 62.122 62.300 -0.167 0.000 0.831 40 V CB 1.366 33.100 31.823 -0.149 0.000 1.000 40 V HN 0.989 nan 8.190 nan 0.000 0.433 41 G N 3.248 111.858 108.800 -0.318 0.000 2.568 41 G HA2 0.831 4.791 3.960 -0.000 0.000 0.313 41 G HA3 0.831 4.791 3.960 -0.000 0.000 0.313 41 G C -1.573 172.964 174.900 -0.606 0.000 1.227 41 G CA -0.535 44.457 45.100 -0.181 0.000 0.979 41 G HN 0.369 nan 8.290 nan 0.000 0.486 42 F N -0.793 119.131 119.950 -0.043 0.000 2.578 42 F HA 0.717 5.244 4.527 -0.000 0.000 0.311 42 F C 0.633 176.382 175.800 -0.084 0.000 1.094 42 F CA -0.517 57.335 58.000 -0.247 0.000 0.923 42 F CB 2.718 41.611 39.000 -0.179 0.000 1.230 42 F HN 0.777 nan 8.300 nan 0.000 0.450 43 G N 0.984 109.761 108.800 -0.038 0.000 3.015 43 G HA2 0.546 4.506 3.960 -0.000 0.000 0.281 43 G HA3 0.546 4.506 3.960 -0.000 0.000 0.281 43 G C -2.385 172.648 174.900 0.222 0.000 1.386 43 G CA -1.622 43.562 45.100 0.141 0.000 0.959 43 G HN 0.298 nan 8.290 nan 0.000 0.522 44 P HA -0.046 nan 4.420 nan 0.000 0.221 44 P C 0.821 178.165 177.300 0.073 0.000 1.145 44 P CA 1.353 64.530 63.100 0.128 0.000 0.795 44 P CB 0.377 32.151 31.700 0.123 0.000 0.775 45 K N -1.692 118.759 120.400 0.085 0.000 2.474 45 K HA 0.125 4.445 4.320 -0.000 0.000 0.204 45 K C 0.928 177.570 176.600 0.069 0.000 1.220 45 K CA 0.020 56.338 56.287 0.053 0.000 0.966 45 K CB 0.577 33.117 32.500 0.067 0.000 1.049 45 K HN 0.260 nan 8.250 nan 0.000 0.554 46 N N 0.611 119.373 118.700 0.102 0.000 3.227 46 N HA 0.123 4.863 4.740 -0.000 0.000 0.241 46 N C -1.533 173.893 175.510 -0.141 0.000 1.480 46 N CA -0.886 52.219 53.050 0.091 0.000 0.886 46 N CB 1.244 39.736 38.487 0.007 0.000 1.406 46 N HN -0.170 nan 8.380 nan 0.000 0.514 47 R N -0.633 119.715 120.500 -0.254 0.000 2.596 47 R HA 0.448 4.788 4.340 -0.000 0.000 0.267 47 R C -1.261 174.737 176.300 -0.503 0.000 1.026 47 R CA -0.366 55.352 56.100 -0.636 0.000 1.087 47 R CB 0.281 30.069 30.300 -0.853 0.000 1.132 47 R HN 0.566 nan 8.270 nan 0.000 0.531 48 Y N 1.362 121.503 120.300 -0.264 0.000 2.464 48 Y HA 0.426 4.976 4.550 -0.000 0.000 0.326 48 Y C -0.329 175.464 175.900 -0.179 0.000 0.969 48 Y CA -0.961 57.043 58.100 -0.161 0.000 1.270 48 Y CB 1.148 39.543 38.460 -0.108 0.000 1.103 48 Y HN 0.297 nan 8.280 nan 0.000 0.491 49 L N 2.854 124.082 121.223 0.009 0.000 2.333 49 L HA 0.817 5.157 4.340 -0.000 0.000 0.280 49 L C 0.869 177.779 176.870 0.067 0.000 1.004 49 L CA -0.509 54.332 54.840 0.001 0.000 0.820 49 L CB 1.652 43.675 42.059 -0.059 0.000 1.247 49 L HN 0.827 nan 8.230 nan 0.000 0.416 50 G N 1.866 110.767 108.800 0.168 0.000 2.536 50 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 50 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 50 G C 0.791 175.742 174.900 0.086 0.000 1.152 50 G CA 0.226 45.446 45.100 0.201 0.000 0.970 50 G HN 0.591 nan 8.290 nan 0.000 0.549 51 E N -0.023 120.208 120.200 0.052 0.000 2.086 51 E HA -0.158 4.192 4.350 -0.000 0.000 0.200 51 E C 2.761 179.359 176.600 -0.004 0.000 1.012 51 E CA 2.200 58.609 56.400 0.016 0.000 0.812 51 E CB -0.838 28.863 29.700 0.003 0.000 0.743 51 E HN 0.570 nan 8.360 nan 0.000 0.453 52 T N 0.390 114.944 114.554 0.001 0.000 2.833 52 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 52 T C 1.811 176.492 174.700 -0.032 0.000 1.054 52 T CA 1.232 63.319 62.100 -0.020 0.000 1.135 52 T CB -0.487 68.396 68.868 0.026 0.000 0.869 52 T HN 0.394 nan 8.240 nan 0.000 0.466 53 G N 1.691 110.510 108.800 0.031 0.000 2.446 53 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 53 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 53 G C 1.710 176.603 174.900 -0.013 0.000 1.168 53 G CA 0.613 45.734 45.100 0.036 0.000 0.771 53 G HN 0.320 nan 8.290 nan 0.000 0.551 54 K N 0.386 120.773 120.400 -0.022 0.000 2.057 54 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 54 K C 2.446 179.017 176.600 -0.048 0.000 1.050 54 K CA 0.906 57.173 56.287 -0.033 0.000 0.935 54 K CB -0.317 32.164 32.500 -0.031 0.000 0.715 54 K HN 0.151 nan 8.250 nan 0.000 0.439 55 N N 1.128 119.790 118.700 -0.064 0.000 2.061 55 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 55 N C 1.456 176.894 175.510 -0.120 0.000 1.030 55 N CA 1.232 54.230 53.050 -0.087 0.000 0.856 55 N CB -0.064 38.364 38.487 -0.099 0.000 1.023 55 N HN 0.120 nan 8.380 nan 0.000 0.424 56 K N 0.892 121.182 120.400 -0.184 0.000 2.400 56 K HA 0.015 4.335 4.320 -0.000 0.000 0.194 56 K C 1.726 178.265 176.600 -0.102 0.000 1.033 56 K CA 0.035 56.178 56.287 -0.241 0.000 1.021 56 K CB 0.082 32.225 32.500 -0.596 0.000 0.808 56 K HN 0.383 nan 8.250 nan 0.000 0.505 57 Q N 0.856 120.626 119.800 -0.050 0.000 2.029 57 Q HA -0.217 4.123 4.340 -0.000 0.000 0.209 57 Q C 2.054 178.066 176.000 0.019 0.000 0.999 57 Q CA 2.563 58.368 55.803 0.003 0.000 0.857 57 Q CB -0.208 28.530 28.738 -0.001 0.000 0.926 57 Q HN 0.200 nan 8.270 nan 0.000 0.415 58 T N -0.678 113.879 114.554 0.005 0.000 2.720 58 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 58 T C 1.615 176.329 174.700 0.024 0.000 1.037 58 T CA 1.793 63.904 62.100 0.017 0.000 1.144 58 T CB -0.329 68.541 68.868 0.003 0.000 0.864 58 T HN 0.544 nan 8.240 nan 0.000 0.444 59 S N -0.207 115.499 115.700 0.010 0.000 2.631 59 S HA 0.174 4.644 4.470 -0.000 0.000 0.217 59 S C 0.909 175.537 174.600 0.047 0.000 0.958 59 S CA -0.046 58.166 58.200 0.020 0.000 0.920 59 S CB -0.285 62.914 63.200 -0.002 0.000 0.776 59 S HN 0.668 nan 8.310 nan 0.000 0.517 60 N N 0.688 119.426 118.700 0.063 0.000 2.595 60 N HA 0.182 4.922 4.740 -0.000 0.000 0.291 60 N C 0.784 176.371 175.510 0.128 0.000 1.706 60 N CA 0.192 53.309 53.050 0.111 0.000 0.867 60 N CB 0.453 39.024 38.487 0.140 0.000 1.414 60 N HN 0.512 nan 8.380 nan 0.000 0.492 61 I N -2.036 118.599 120.570 0.109 0.000 2.493 61 I HA -0.062 4.108 4.170 -0.000 0.000 0.254 61 I C 1.712 177.913 176.117 0.140 0.000 1.160 61 I CA 0.818 62.188 61.300 0.115 0.000 1.445 61 I CB -0.078 37.984 38.000 0.103 0.000 1.086 61 I HN -0.046 nan 8.210 nan 0.000 0.433 62 K N 1.170 121.654 120.400 0.140 0.000 2.283 62 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 62 K C 0.640 177.349 176.600 0.182 0.000 1.048 62 K CA 1.031 57.406 56.287 0.147 0.000 0.948 62 K CB -0.113 32.462 32.500 0.126 0.000 0.742 62 K HN 0.453 nan 8.250 nan 0.000 0.458 63 N N 0.193 119.021 118.700 0.214 0.000 2.291 63 N HA 0.045 4.785 4.740 -0.000 0.000 0.244 63 N C -0.935 174.785 175.510 0.350 0.000 1.216 63 N CA 0.134 53.358 53.050 0.290 0.000 0.879 63 N CB 1.634 40.304 38.487 0.305 0.000 1.167 63 N HN -0.104 nan 8.380 nan 0.000 0.515 64 T N 0.804 115.510 114.554 0.254 0.000 2.770 64 T HA 0.309 4.659 4.350 -0.000 0.000 0.283 64 T C -0.304 174.511 174.700 0.190 0.000 0.988 64 T CA -0.465 61.753 62.100 0.196 0.000 0.957 64 T CB 2.521 71.463 68.868 0.123 0.000 0.930 64 T HN -0.130 nan 8.240 nan 0.000 0.443 65 V N 3.028 123.055 119.914 0.188 0.000 2.417 65 V HA 0.917 5.037 4.120 -0.000 0.000 0.291 65 V C -0.237 175.865 176.094 0.014 0.000 1.024 65 V CA -0.287 62.119 62.300 0.177 0.000 0.861 65 V CB 0.600 32.636 31.823 0.356 0.000 0.985 65 V HN 1.097 nan 8.190 nan 0.000 0.436 66 A N 4.658 127.399 122.820 -0.131 0.000 3.120 66 A HA 0.592 4.912 4.320 -0.000 0.000 0.213 66 A C 0.534 177.939 177.584 -0.299 0.000 1.202 66 A CA -0.200 51.710 52.037 -0.212 0.000 0.876 66 A CB 0.436 19.305 19.000 -0.218 0.000 1.456 66 A HN 1.235 nan 8.150 nan 0.000 0.530 67 N N -0.490 118.050 118.700 -0.268 0.000 2.701 67 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 67 N C 0.825 176.370 175.510 0.060 0.000 1.046 67 N CA 0.991 53.952 53.050 -0.147 0.000 0.733 67 N CB -1.258 37.035 38.487 -0.324 0.000 0.973 67 N HN 0.547 nan 8.380 nan 0.000 0.541 68 L N 0.385 121.621 121.223 0.022 0.000 2.042 68 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 68 L C 2.488 179.459 176.870 0.167 0.000 1.076 68 L CA 1.985 56.886 54.840 0.101 0.000 0.749 68 L CB -0.358 41.694 42.059 -0.011 0.000 0.893 68 L HN 0.415 nan 8.230 nan 0.000 0.432 69 K N -0.775 119.715 120.400 0.151 0.000 2.366 69 K HA -0.057 4.263 4.320 -0.000 0.000 0.198 69 K C 1.944 178.759 176.600 0.357 0.000 1.044 69 K CA 0.408 56.840 56.287 0.241 0.000 0.973 69 K CB 0.025 32.609 32.500 0.141 0.000 0.767 69 K HN 0.150 nan 8.250 nan 0.000 0.475 70 R N 1.373 122.064 120.500 0.319 0.000 2.119 70 R HA 0.052 4.392 4.340 -0.000 0.000 0.222 70 R C 2.280 178.751 176.300 0.286 0.000 1.088 70 R CA 1.033 57.345 56.100 0.353 0.000 0.984 70 R CB -0.433 30.043 30.300 0.294 0.000 0.884 70 R HN 0.519 nan 8.270 nan 0.000 0.447 71 I N -1.512 119.227 120.570 0.282 0.000 3.728 71 I HA 0.138 4.308 4.170 -0.000 0.000 0.307 71 I C 0.541 176.749 176.117 0.151 0.000 1.276 71 I CA -0.218 61.202 61.300 0.200 0.000 1.285 71 I CB 0.024 38.131 38.000 0.179 0.000 1.038 71 I HN -0.237 nan 8.210 nan 0.000 0.445 72 I N 4.054 124.713 120.570 0.148 0.000 2.828 72 I HA -0.040 4.130 4.170 -0.000 0.000 0.292 72 I C 1.625 177.731 176.117 -0.018 0.000 1.206 72 I CA 1.462 62.805 61.300 0.071 0.000 1.420 72 I CB -0.432 37.617 38.000 0.082 0.000 1.368 72 I HN 0.637 nan 8.210 nan 0.000 0.556 73 G N 6.019 114.811 108.800 -0.014 0.000 2.180 73 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.263 73 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.263 73 G C 0.494 175.398 174.900 0.005 0.000 0.989 73 G CA -0.094 44.977 45.100 -0.048 0.000 0.692 73 G HN 0.565 nan 8.290 nan 0.000 0.526 74 L N 1.408 122.668 121.223 0.063 0.000 2.433 74 L HA 0.194 4.534 4.340 -0.000 0.000 0.275 74 L C -0.174 176.799 176.870 0.173 0.000 1.128 74 L CA -0.466 54.445 54.840 0.118 0.000 0.875 74 L CB 0.234 42.385 42.059 0.152 0.000 1.171 74 L HN 0.055 nan 8.230 nan 0.000 0.463 75 D N 3.696 124.215 120.400 0.199 0.000 2.450 75 D HA -0.119 4.521 4.640 -0.000 0.000 0.247 75 D C 0.613 177.017 176.300 0.175 0.000 1.162 75 D CA 0.197 54.312 54.000 0.191 0.000 0.879 75 D CB 0.785 41.709 40.800 0.206 0.000 1.163 75 D HN 0.416 nan 8.370 nan 0.000 0.472 76 Y N 2.398 122.605 120.300 -0.155 0.000 2.256 76 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 76 Y C 1.624 176.967 175.900 -0.929 0.000 1.155 76 Y CA 1.664 59.391 58.100 -0.623 0.000 1.203 76 Y CB 0.147 38.218 38.460 -0.649 0.000 0.980 76 Y HN 0.526 nan 8.280 nan 0.000 0.530 77 H N -1.322 117.628 119.070 -0.200 0.000 2.507 77 H HA 0.076 4.632 4.556 -0.000 0.000 0.294 77 H C 0.076 175.369 175.328 -0.059 0.000 1.064 77 H CA -0.092 55.828 56.048 -0.213 0.000 1.138 77 H CB -0.655 29.035 29.762 -0.120 0.000 1.515 77 H HN 0.239 nan 8.280 nan 0.000 0.547 78 H N 2.853 121.935 119.070 0.019 0.000 3.034 78 H HA -0.019 4.537 4.556 -0.000 0.000 0.324 78 H C -1.549 173.831 175.328 0.087 0.000 1.015 78 H CA -1.321 54.779 56.048 0.086 0.000 1.429 78 H CB 1.428 31.274 29.762 0.139 0.000 1.429 78 H HN 0.080 nan 8.280 nan 0.000 0.585 79 P HA -0.133 nan 4.420 nan 0.000 0.218 79 P C 0.216 177.641 177.300 0.209 0.000 1.146 79 P CA 1.382 64.532 63.100 0.083 0.000 0.820 79 P CB 0.345 32.027 31.700 -0.030 0.000 0.778 80 D N -2.989 117.684 120.400 0.455 0.000 2.402 80 D HA 0.084 4.724 4.640 -0.000 0.000 0.216 80 D C 1.162 177.539 176.300 0.128 0.000 1.128 80 D CA -0.340 53.789 54.000 0.215 0.000 0.833 80 D CB -0.751 40.154 40.800 0.175 0.000 0.971 80 D HN 0.047 nan 8.370 nan 0.000 0.503 81 F N 2.655 122.637 119.950 0.054 0.000 2.063 81 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 81 F C 2.241 178.013 175.800 -0.046 0.000 1.109 81 F CA 2.127 60.107 58.000 -0.035 0.000 1.212 81 F CB 0.116 39.048 39.000 -0.113 0.000 0.973 81 F HN -0.024 nan 8.300 nan 0.000 0.480 82 E N -0.071 120.125 120.200 -0.007 0.000 2.204 82 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 82 E C 1.895 178.407 176.600 -0.146 0.000 0.989 82 E CA 1.558 57.901 56.400 -0.096 0.000 0.824 82 E CB -0.839 28.854 29.700 -0.012 0.000 0.756 82 E HN 0.624 nan 8.360 nan 0.000 0.477 83 Q N -0.293 119.433 119.800 -0.122 0.000 2.226 83 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 83 Q C 1.623 177.656 176.000 0.055 0.000 0.975 83 Q CA 1.346 57.088 55.803 -0.101 0.000 0.866 83 Q CB 0.050 28.632 28.738 -0.259 0.000 0.915 83 Q HN 0.379 nan 8.270 nan 0.000 0.440 84 E N -0.050 120.134 120.200 -0.027 0.000 2.075 84 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 84 E C 2.142 178.793 176.600 0.085 0.000 0.969 84 E CA 1.289 57.728 56.400 0.066 0.000 0.815 84 E CB -0.273 29.361 29.700 -0.109 0.000 0.776 84 E HN 0.288 nan 8.360 nan 0.000 0.457 85 S N 1.719 117.243 115.700 -0.294 0.000 2.447 85 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 85 S C 1.816 176.433 174.600 0.028 0.000 1.006 85 S CA 1.137 59.200 58.200 -0.228 0.000 0.957 85 S CB -0.367 62.523 63.200 -0.517 0.000 0.773 85 S HN 0.319 nan 8.310 nan 0.000 0.507 86 K N 0.600 120.938 120.400 -0.103 0.000 2.362 86 K HA -0.071 4.249 4.320 -0.000 0.000 0.200 86 K C 1.287 177.753 176.600 -0.223 0.000 1.046 86 K CA 1.298 57.468 56.287 -0.195 0.000 0.952 86 K CB -0.536 31.776 32.500 -0.313 0.000 0.753 86 K HN 0.511 nan 8.250 nan 0.000 0.466 87 H N -0.433 118.704 119.070 0.112 0.000 2.539 87 H HA 0.157 4.713 4.556 -0.000 0.000 0.269 87 H C -0.271 175.048 175.328 -0.014 0.000 0.980 87 H CA -0.012 56.071 56.048 0.057 0.000 1.152 87 H CB -0.020 29.751 29.762 0.016 0.000 1.407 87 H HN 0.070 nan 8.280 nan 0.000 0.564 88 F N 0.145 120.150 119.950 0.091 0.000 2.379 88 F HA 0.157 4.684 4.527 -0.000 0.000 0.332 88 F C 1.628 177.471 175.800 0.072 0.000 1.096 88 F CA -0.081 57.971 58.000 0.086 0.000 1.105 88 F CB 1.831 40.873 39.000 0.069 0.000 1.189 88 F HN -0.211 nan 8.300 nan 0.000 0.515 89 T N -0.290 114.407 114.554 0.238 0.000 2.971 89 T HA 0.082 4.432 4.350 -0.000 0.000 0.252 89 T C 0.457 175.275 174.700 0.197 0.000 1.022 89 T CA 0.325 62.529 62.100 0.174 0.000 0.980 89 T CB -0.104 68.842 68.868 0.129 0.000 1.044 89 T HN 0.557 nan 8.240 nan 0.000 0.501 90 S N 0.629 116.494 115.700 0.275 0.000 2.690 90 S HA 0.566 5.036 4.470 -0.000 0.000 0.291 90 S C -0.282 174.446 174.600 0.214 0.000 1.138 90 S CA -0.847 57.500 58.200 0.245 0.000 1.013 90 S CB 1.536 64.907 63.200 0.285 0.000 1.053 90 S HN 0.274 nan 8.310 nan 0.000 0.539 91 K N 0.562 121.053 120.400 0.151 0.000 2.412 91 K HA 0.237 4.557 4.320 -0.000 0.000 0.281 91 K C -1.198 175.459 176.600 0.095 0.000 1.027 91 K CA -0.338 56.015 56.287 0.111 0.000 0.989 91 K CB 0.092 32.639 32.500 0.079 0.000 0.935 91 K HN 0.416 nan 8.250 nan 0.000 0.475 92 L N 4.557 125.838 121.223 0.098 0.000 2.334 92 L HA 0.504 4.844 4.340 -0.000 0.000 0.273 92 L C -0.595 176.336 176.870 0.101 0.000 1.013 92 L CA -0.697 54.201 54.840 0.097 0.000 0.816 92 L CB 1.599 43.741 42.059 0.138 0.000 1.278 92 L HN 0.502 nan 8.230 nan 0.000 0.431 93 V N -0.914 118.941 119.914 -0.098 0.000 3.114 93 V HA 0.602 4.722 4.120 -0.000 0.000 0.308 93 V C -0.389 175.142 176.094 -0.938 0.000 1.168 93 V CA -1.021 61.003 62.300 -0.459 0.000 1.015 93 V CB 1.807 33.475 31.823 -0.258 0.000 1.050 93 V HN 0.776 nan 8.190 nan 0.000 0.433 94 E N 1.410 120.790 120.200 -1.366 0.000 2.384 94 E HA 0.442 4.792 4.350 -0.000 0.000 0.266 94 E C -0.832 175.532 176.600 -0.394 0.000 1.012 94 E CA -0.291 55.547 56.400 -0.937 0.000 0.901 94 E CB 0.928 30.261 29.700 -0.611 0.000 0.967 94 E HN 0.650 nan 8.360 nan 0.000 0.435 95 L N 3.018 124.102 121.223 -0.231 0.000 2.440 95 L HA 0.157 4.497 4.340 -0.000 0.000 0.262 95 L C 1.378 178.206 176.870 -0.070 0.000 1.072 95 L CA -0.990 53.779 54.840 -0.117 0.000 0.798 95 L CB 0.443 42.467 42.059 -0.058 0.000 1.307 95 L HN 0.614 nan 8.230 nan 0.000 0.475 96 D N 0.845 121.220 120.400 -0.042 0.000 2.191 96 D HA -0.225 4.415 4.640 -0.000 0.000 0.190 96 D C 0.799 177.096 176.300 -0.005 0.000 1.007 96 D CA 2.052 56.040 54.000 -0.020 0.000 0.865 96 D CB -0.095 40.702 40.800 -0.006 0.000 0.929 96 D HN 0.658 nan 8.370 nan 0.000 0.447 97 D N -2.289 118.115 120.400 0.006 0.000 2.501 97 D HA 0.239 4.879 4.640 -0.000 0.000 0.226 97 D C 0.856 177.179 176.300 0.038 0.000 1.198 97 D CA 0.795 54.809 54.000 0.025 0.000 0.830 97 D CB -0.301 40.521 40.800 0.037 0.000 1.014 97 D HN 0.230 nan 8.370 nan 0.000 0.496 98 K N -0.633 119.787 120.400 0.032 0.000 3.500 98 K HA -0.222 4.098 4.320 -0.000 0.000 0.313 98 K C 0.537 177.178 176.600 0.068 0.000 1.338 98 K CA 1.513 57.840 56.287 0.067 0.000 0.963 98 K CB -2.656 29.903 32.500 0.097 0.000 1.267 98 K HN 0.392 nan 8.250 nan 0.000 0.448 99 K N -0.307 120.116 120.400 0.039 0.000 2.240 99 K HA 0.590 4.910 4.320 -0.000 0.000 0.237 99 K C 0.552 177.169 176.600 0.028 0.000 1.027 99 K CA 0.238 56.561 56.287 0.059 0.000 0.937 99 K CB 1.443 33.977 32.500 0.058 0.000 1.171 99 K HN 0.533 nan 8.250 nan 0.000 0.479 100 T N -0.954 113.655 114.554 0.091 0.000 2.794 100 T HA 0.609 4.959 4.350 -0.000 0.000 0.280 100 T C -0.045 174.688 174.700 0.056 0.000 0.987 100 T CA -0.611 61.544 62.100 0.092 0.000 0.993 100 T CB 1.044 70.134 68.868 0.369 0.000 0.939 100 T HN 0.577 nan 8.240 nan 0.000 0.449 101 G N 1.758 110.552 108.800 -0.011 0.000 2.644 101 G HA2 0.757 4.717 3.960 -0.000 0.000 0.307 101 G HA3 0.757 4.717 3.960 -0.000 0.000 0.307 101 G C -0.937 173.980 174.900 0.029 0.000 1.250 101 G CA -0.783 44.334 45.100 0.028 0.000 0.996 101 G HN 1.091 nan 8.290 nan 0.000 0.489 102 A N -0.162 122.712 122.820 0.089 0.000 2.317 102 A HA 0.724 5.044 4.320 -0.000 0.000 0.327 102 A C -0.230 177.384 177.584 0.050 0.000 1.178 102 A CA -0.552 51.545 52.037 0.099 0.000 0.817 102 A CB 1.299 20.426 19.000 0.212 0.000 1.189 102 A HN 0.625 nan 8.150 nan 0.000 0.489 103 E N 1.676 121.887 120.200 0.019 0.000 2.191 103 E HA 0.618 4.968 4.350 -0.000 0.000 0.278 103 E C -1.507 175.093 176.600 0.001 0.000 0.972 103 E CA -0.386 55.994 56.400 -0.032 0.000 0.804 103 E CB 1.437 31.111 29.700 -0.044 0.000 1.110 103 E HN 0.416 nan 8.360 nan 0.000 0.394 104 V N 4.035 123.921 119.914 -0.046 0.000 3.049 104 V HA 0.368 4.488 4.120 -0.000 0.000 0.309 104 V C -0.614 175.503 176.094 0.038 0.000 1.148 104 V CA -0.887 61.397 62.300 -0.026 0.000 0.990 104 V CB 2.324 34.000 31.823 -0.246 0.000 1.039 104 V HN 0.688 nan 8.190 nan 0.000 0.430 105 R N 2.654 123.220 120.500 0.111 0.000 2.216 105 R HA 0.431 4.771 4.340 -0.000 0.000 0.332 105 R C -1.601 174.871 176.300 0.287 0.000 1.056 105 R CA -0.084 56.123 56.100 0.177 0.000 0.901 105 R CB 0.781 31.175 30.300 0.157 0.000 1.039 105 R HN 0.487 nan 8.270 nan 0.000 0.456 106 F N 1.532 121.543 119.950 0.102 0.000 2.605 106 F HA 0.308 4.835 4.527 -0.000 0.000 0.320 106 F C -0.299 175.542 175.800 0.068 0.000 1.159 106 F CA -0.930 57.090 58.000 0.033 0.000 0.999 106 F CB 1.369 40.231 39.000 -0.230 0.000 1.258 106 F HN 0.716 nan 8.300 nan 0.000 0.464 107 A N 3.742 126.448 122.820 -0.191 0.000 2.640 107 A HA 0.202 4.522 4.320 -0.000 0.000 0.300 107 A C 1.671 179.213 177.584 -0.071 0.000 1.499 107 A CA 1.741 53.612 52.037 -0.277 0.000 0.759 107 A CB -2.140 16.459 19.000 -0.668 0.000 1.048 107 A HN 2.799 nan 8.150 nan 0.000 0.450 108 G N -2.203 106.614 108.800 0.028 0.000 2.148 108 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.254 108 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.254 108 G C -0.138 174.789 174.900 0.046 0.000 0.981 108 G CA 1.139 46.263 45.100 0.041 0.000 0.670 108 G HN 1.407 nan 8.290 nan 0.000 0.528 109 E N -1.138 119.116 120.200 0.090 0.000 2.449 109 E HA 0.466 4.816 4.350 -0.000 0.000 0.278 109 E C -0.687 175.973 176.600 0.099 0.000 0.992 109 E CA -1.077 55.349 56.400 0.044 0.000 0.807 109 E CB 1.369 31.042 29.700 -0.044 0.000 1.350 109 E HN 0.186 nan 8.360 nan 0.000 0.462 110 K N 1.597 121.958 120.400 -0.065 0.000 2.211 110 K HA 0.405 4.725 4.320 -0.000 0.000 0.275 110 K C -0.769 175.677 176.600 -0.257 0.000 1.024 110 K CA -0.371 55.876 56.287 -0.067 0.000 0.887 110 K CB 0.838 33.291 32.500 -0.077 0.000 1.084 110 K HN 0.365 nan 8.250 nan 0.000 0.463 111 H N 1.143 120.084 119.070 -0.215 0.000 2.589 111 H HA 0.271 4.827 4.556 -0.000 0.000 0.351 111 H C -0.924 174.053 175.328 -0.586 0.000 1.074 111 H CA -0.898 54.878 56.048 -0.453 0.000 1.203 111 H CB 2.094 31.514 29.762 -0.570 0.000 1.558 111 H HN 0.192 nan 8.280 nan 0.000 0.522 112 V N 4.767 124.385 119.914 -0.492 0.000 2.370 112 V HA 0.247 4.367 4.120 -0.000 0.000 0.283 112 V C -0.688 175.120 176.094 -0.476 0.000 1.023 112 V CA -0.449 61.627 62.300 -0.372 0.000 0.857 112 V CB 0.610 32.311 31.823 -0.204 0.000 0.985 112 V HN 0.451 nan 8.190 nan 0.000 0.443 113 F N 2.599 122.557 119.950 0.014 0.000 2.507 113 F HA 0.537 5.064 4.527 -0.000 0.000 0.325 113 F C 0.731 176.564 175.800 0.055 0.000 1.116 113 F CA -0.687 57.342 58.000 0.049 0.000 0.930 113 F CB 2.066 41.104 39.000 0.064 0.000 1.146 113 F HN 0.530 nan 8.300 nan 0.000 0.447 114 S N 1.658 117.506 115.700 0.247 0.000 2.589 114 S HA 0.446 4.916 4.470 -0.000 0.000 0.265 114 S C 1.245 175.956 174.600 0.186 0.000 1.342 114 S CA -0.183 58.116 58.200 0.165 0.000 1.005 114 S CB 1.261 64.538 63.200 0.127 0.000 0.909 114 S HN 0.851 nan 8.310 nan 0.000 0.555 115 A N 2.038 124.950 122.820 0.153 0.000 1.908 115 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 115 A C 2.288 179.963 177.584 0.151 0.000 1.181 115 A CA 2.242 54.376 52.037 0.161 0.000 0.627 115 A CB -1.994 17.094 19.000 0.146 0.000 0.818 115 A HN 0.932 nan 8.150 nan 0.000 0.445 116 T N 0.011 114.645 114.554 0.133 0.000 2.684 116 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 116 T C 2.072 176.846 174.700 0.124 0.000 1.036 116 T CA 1.799 63.974 62.100 0.123 0.000 1.148 116 T CB -0.315 68.620 68.868 0.112 0.000 0.863 116 T HN 0.638 nan 8.240 nan 0.000 0.436 117 Q N 0.339 120.222 119.800 0.138 0.000 2.061 117 Q HA -0.036 4.304 4.340 -0.000 0.000 0.204 117 Q C 2.461 178.510 176.000 0.080 0.000 0.984 117 Q CA 1.230 57.107 55.803 0.124 0.000 0.846 117 Q CB -0.447 28.409 28.738 0.196 0.000 0.902 117 Q HN 0.468 nan 8.270 nan 0.000 0.421 118 L N 0.061 121.356 121.223 0.120 0.000 2.012 118 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 118 L C 2.520 179.458 176.870 0.113 0.000 1.073 118 L CA 1.156 56.061 54.840 0.109 0.000 0.748 118 L CB -0.610 41.561 42.059 0.187 0.000 0.891 118 L HN 0.218 nan 8.230 nan 0.000 0.431 119 A N 0.032 122.935 122.820 0.138 0.000 1.933 119 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 119 A C 1.687 179.366 177.584 0.158 0.000 1.175 119 A CA 1.069 53.205 52.037 0.165 0.000 0.628 119 A CB -0.727 18.367 19.000 0.157 0.000 0.814 119 A HN 0.367 nan 8.150 nan 0.000 0.444 123 I N 1.172 121.704 120.570 -0.063 0.000 2.286 123 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 123 I C 1.854 177.904 176.117 -0.112 0.000 1.115 123 I CA 2.058 63.303 61.300 -0.092 0.000 1.392 123 I CB -0.370 37.654 38.000 0.040 0.000 1.065 123 I HN 0.237 nan 8.210 nan 0.000 0.418 124 D N 0.884 121.227 120.400 -0.095 0.000 2.117 124 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 124 D C 2.200 178.417 176.300 -0.139 0.000 0.982 124 D CA 1.043 54.993 54.000 -0.083 0.000 0.828 124 D CB 0.043 40.809 40.800 -0.057 0.000 0.967 124 D HN -0.067 nan 8.370 nan 0.000 0.464 125 K N 0.352 120.632 120.400 -0.200 0.000 2.044 125 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 125 K C 2.088 178.536 176.600 -0.253 0.000 1.049 125 K CA 0.627 56.783 56.287 -0.217 0.000 0.927 125 K CB -0.775 31.577 32.500 -0.247 0.000 0.713 125 K HN 0.099 nan 8.250 nan 0.000 0.443 126 V N 1.539 121.230 119.914 -0.371 0.000 2.427 126 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 126 V C 2.597 178.543 176.094 -0.247 0.000 1.051 126 V CA 1.691 63.801 62.300 -0.317 0.000 1.048 126 V CB -0.320 31.219 31.823 -0.474 0.000 0.666 126 V HN 0.404 nan 8.190 nan 0.000 0.456 127 K N 0.180 120.472 120.400 -0.181 0.000 2.009 127 K HA -0.300 4.020 4.320 -0.000 0.000 0.210 127 K C 1.921 178.378 176.600 -0.238 0.000 1.049 127 K CA 2.460 58.614 56.287 -0.221 0.000 0.929 127 K CB -0.370 32.096 32.500 -0.057 0.000 0.714 127 K HN 0.528 nan 8.250 nan 0.000 0.440 128 D N -0.517 119.781 120.400 -0.170 0.000 2.149 128 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 128 D C 1.452 177.659 176.300 -0.155 0.000 0.990 128 D CA 1.762 55.678 54.000 -0.140 0.000 0.839 128 D CB 0.043 40.778 40.800 -0.108 0.000 0.948 128 D HN 0.258 nan 8.370 nan 0.000 0.460 129 T N -0.780 113.668 114.554 -0.178 0.000 2.684 129 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 129 T C 2.062 176.645 174.700 -0.194 0.000 1.036 129 T CA 1.296 63.298 62.100 -0.164 0.000 1.148 129 T CB -0.402 68.372 68.868 -0.156 0.000 0.863 129 T HN 0.010 nan 8.240 nan 0.000 0.436 130 V N 2.697 122.431 119.914 -0.300 0.000 2.427 130 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 130 V C 2.514 178.464 176.094 -0.239 0.000 1.051 130 V CA 1.840 63.931 62.300 -0.349 0.000 1.048 130 V CB -0.624 30.772 31.823 -0.713 0.000 0.666 130 V HN 0.664 nan 8.190 nan 0.000 0.456 131 K N -0.198 120.074 120.400 -0.213 0.000 2.243 131 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 131 K C 1.967 178.505 176.600 -0.104 0.000 1.051 131 K CA 0.933 57.135 56.287 -0.142 0.000 0.970 131 K CB -0.246 32.181 32.500 -0.122 0.000 0.755 131 K HN 0.411 nan 8.250 nan 0.000 0.465 132 Q N 1.213 120.951 119.800 -0.104 0.000 2.050 132 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 132 Q C 1.925 177.881 176.000 -0.073 0.000 0.980 132 Q CA 1.756 57.511 55.803 -0.080 0.000 0.840 132 Q CB -0.134 28.558 28.738 -0.076 0.000 0.898 132 Q HN 0.461 nan 8.270 nan 0.000 0.424 133 D N 0.034 120.383 120.400 -0.085 0.000 2.078 133 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 133 D C 1.836 178.099 176.300 -0.063 0.000 0.990 133 D CA 2.074 56.031 54.000 -0.071 0.000 0.827 133 D CB 0.155 40.908 40.800 -0.079 0.000 0.975 133 D HN 0.323 nan 8.370 nan 0.000 0.451 134 T N -1.878 112.630 114.554 -0.076 0.000 3.085 134 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 134 T C 1.071 175.741 174.700 -0.050 0.000 1.127 134 T CA 0.282 62.345 62.100 -0.061 0.000 1.103 134 T CB 0.099 68.926 68.868 -0.070 0.000 0.921 134 T HN 0.039 nan 8.240 nan 0.000 0.510 135 K N 0.437 120.804 120.400 -0.055 0.000 3.088 135 K HA -0.126 4.194 4.320 -0.000 0.000 0.273 135 K C 0.299 176.874 176.600 -0.041 0.000 1.111 135 K CA 0.854 57.114 56.287 -0.045 0.000 0.803 135 K CB -2.492 29.987 32.500 -0.034 0.000 1.226 135 K HN 0.802 nan 8.250 nan 0.000 0.485 136 A N -0.291 122.500 122.820 -0.049 0.000 2.312 136 A HA 0.721 5.041 4.320 -0.000 0.000 0.310 136 A C 0.266 177.824 177.584 -0.042 0.000 1.139 136 A CA 0.199 52.212 52.037 -0.040 0.000 0.886 136 A CB 0.681 19.660 19.000 -0.036 0.000 1.350 136 A HN 0.421 nan 8.150 nan 0.000 0.479 137 N N 0.365 119.048 118.700 -0.028 0.000 2.434 137 N HA 0.547 5.287 4.740 -0.000 0.000 0.272 137 N C -0.737 174.762 175.510 -0.018 0.000 1.040 137 N CA -0.350 52.687 53.050 -0.023 0.000 0.956 137 N CB 0.454 38.934 38.487 -0.011 0.000 1.108 137 N HN 0.481 nan 8.380 nan 0.000 0.481 138 I N 2.374 122.932 120.570 -0.021 0.000 2.410 138 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 138 I C 1.041 177.179 176.117 0.034 0.000 1.009 138 I CA -0.426 60.874 61.300 0.000 0.000 1.111 138 I CB 0.897 38.859 38.000 -0.063 0.000 1.262 138 I HN 0.815 nan 8.210 nan 0.000 0.443 139 T N -0.089 114.498 114.554 0.055 0.000 3.010 139 T HA 0.236 4.586 4.350 -0.000 0.000 0.252 139 T C 0.326 175.062 174.700 0.060 0.000 0.963 139 T CA -0.031 62.099 62.100 0.049 0.000 0.952 139 T CB 0.523 69.410 68.868 0.032 0.000 1.182 139 T HN 0.290 nan 8.240 nan 0.000 0.495 140 D N 1.002 121.446 120.400 0.073 0.000 2.198 140 D HA 0.700 5.340 4.640 -0.000 0.000 0.247 140 D C -1.200 175.140 176.300 0.067 0.000 1.010 140 D CA -0.396 53.633 54.000 0.049 0.000 0.880 140 D CB 2.459 43.279 40.800 0.034 0.000 1.209 140 D HN 0.163 nan 8.370 nan 0.000 0.451 141 V N 0.990 120.883 119.914 -0.034 0.000 2.925 141 V HA 0.448 4.568 4.120 -0.000 0.000 0.311 141 V C -1.348 174.623 176.094 -0.205 0.000 1.104 141 V CA -0.680 61.505 62.300 -0.192 0.000 0.954 141 V CB 2.105 33.759 31.823 -0.282 0.000 1.022 141 V HN 0.794 nan 8.190 nan 0.000 0.427 142 C N 7.691 126.838 119.300 -0.255 0.000 2.301 142 C HA 0.680 5.140 4.460 -0.000 0.000 0.323 142 C C -0.295 174.560 174.990 -0.226 0.000 1.265 142 C CA -0.685 58.219 59.018 -0.190 0.000 1.503 142 C CB -0.883 26.794 27.740 -0.105 0.000 2.195 142 C HN 0.744 nan 8.230 nan 0.000 0.477 143 I N 6.024 126.484 120.570 -0.183 0.000 2.336 143 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 143 I C 0.768 176.799 176.117 -0.144 0.000 0.991 143 I CA -0.064 61.132 61.300 -0.172 0.000 1.227 143 I CB 1.447 39.366 38.000 -0.136 0.000 1.366 143 I HN 0.798 nan 8.210 nan 0.000 0.466 144 A N 7.194 129.924 122.820 -0.150 0.000 2.309 144 A HA 0.642 4.962 4.320 -0.000 0.000 0.290 144 A C -0.164 177.280 177.584 -0.234 0.000 1.206 144 A CA -0.413 51.530 52.037 -0.157 0.000 0.850 144 A CB 0.437 19.358 19.000 -0.132 0.000 1.118 144 A HN 0.618 nan 8.150 nan 0.000 0.523 145 V N 0.277 120.007 119.914 -0.306 0.000 2.960 145 V HA 0.772 4.892 4.120 -0.000 0.000 0.315 145 V C -3.018 172.738 176.094 -0.564 0.000 1.087 145 V CA -2.968 58.984 62.300 -0.580 0.000 0.982 145 V CB 1.614 32.977 31.823 -0.766 0.000 1.039 145 V HN 0.606 nan 8.190 nan 0.000 0.437 146 P HA 0.284 nan 4.420 nan 0.000 0.268 146 P C -2.358 174.598 177.300 -0.574 0.000 1.205 146 P CA -1.275 61.392 63.100 -0.721 0.000 0.771 146 P CB 0.056 30.967 31.700 -1.315 0.000 0.858 147 P HA -0.112 nan 4.420 nan 0.000 0.222 147 P C 1.058 178.382 177.300 0.040 0.000 1.147 147 P CA 1.198 64.263 63.100 -0.059 0.000 0.790 147 P CB -0.417 31.304 31.700 0.036 0.000 0.780 148 W N -2.691 118.677 121.300 0.114 0.000 2.699 148 W HA 0.060 4.720 4.660 -0.000 0.000 0.249 148 W C -0.243 176.400 176.519 0.207 0.000 1.280 148 W CA -0.524 56.901 57.345 0.135 0.000 1.345 148 W CB -1.594 27.917 29.460 0.084 0.000 1.128 148 W HN -0.110 nan 8.180 nan 0.000 0.642 149 Y N 3.298 123.399 120.300 -0.332 0.000 2.810 149 Y HA -0.039 4.511 4.550 -0.000 0.000 0.332 149 Y C 1.430 177.345 175.900 0.026 0.000 1.243 149 Y CA 0.416 58.377 58.100 -0.232 0.000 1.537 149 Y CB 0.241 38.492 38.460 -0.350 0.000 1.265 149 Y HN -0.282 nan 8.280 nan 0.000 0.572 150 T N 3.830 118.415 114.554 0.051 0.000 2.813 150 T HA -0.020 4.330 4.350 -0.000 0.000 0.297 150 T C 1.430 176.162 174.700 0.052 0.000 1.036 150 T CA -0.177 61.955 62.100 0.053 0.000 1.044 150 T CB 0.668 69.508 68.868 -0.045 0.000 0.993 150 T HN 0.806 nan 8.240 nan 0.000 0.535 151 E N 1.163 121.449 120.200 0.143 0.000 2.065 151 E HA -0.236 4.114 4.350 -0.000 0.000 0.201 151 E C 2.006 178.745 176.600 0.233 0.000 1.016 151 E CA 2.148 58.691 56.400 0.239 0.000 0.818 151 E CB -0.056 29.906 29.700 0.437 0.000 0.749 151 E HN 0.782 nan 8.360 nan 0.000 0.453 152 E N -0.077 120.030 120.200 -0.155 0.000 2.070 152 E HA -0.324 4.026 4.350 -0.000 0.000 0.197 152 E C 2.239 178.764 176.600 -0.125 0.000 1.004 152 E CA 1.761 57.881 56.400 -0.466 0.000 0.805 152 E CB -0.097 28.870 29.700 -1.221 0.000 0.744 152 E HN 0.391 nan 8.360 nan 0.000 0.451 153 Q N -0.242 119.427 119.800 -0.220 0.000 2.135 153 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 153 Q C 2.344 178.278 176.000 -0.110 0.000 0.981 153 Q CA 1.575 57.178 55.803 -0.333 0.000 0.856 153 Q CB -0.048 28.184 28.738 -0.843 0.000 0.902 153 Q HN 0.237 nan 8.270 nan 0.000 0.425 154 R N -0.614 119.906 120.500 0.033 0.000 2.066 154 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 154 R C 2.016 178.341 176.300 0.042 0.000 1.131 154 R CA 1.492 57.651 56.100 0.098 0.000 0.955 154 R CB -0.330 29.985 30.300 0.025 0.000 0.851 154 R HN 0.302 nan 8.270 nan 0.000 0.432 155 Y N 1.098 121.439 120.300 0.069 0.000 2.165 155 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 155 Y C 1.989 177.934 175.900 0.074 0.000 1.155 155 Y CA 1.858 60.013 58.100 0.091 0.000 1.164 155 Y CB -0.371 38.183 38.460 0.158 0.000 0.978 155 Y HN 0.217 nan 8.280 nan 0.000 0.513 156 N N -0.358 118.464 118.700 0.203 0.000 2.084 156 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 156 N C 1.641 177.227 175.510 0.127 0.000 1.030 156 N CA 1.250 54.380 53.050 0.134 0.000 0.849 156 N CB -0.287 38.239 38.487 0.064 0.000 1.012 156 N HN 0.151 nan 8.380 nan 0.000 0.423 157 I N 1.165 121.816 120.570 0.136 0.000 2.394 157 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 157 I C 2.085 178.252 176.117 0.082 0.000 1.136 157 I CA 0.509 61.890 61.300 0.135 0.000 1.425 157 I CB -0.385 37.736 38.000 0.202 0.000 1.079 157 I HN 0.081 nan 8.210 nan 0.000 0.425 158 A N -0.303 122.555 122.820 0.063 0.000 1.902 158 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 158 A C 2.049 179.669 177.584 0.061 0.000 1.181 158 A CA 1.968 54.025 52.037 0.034 0.000 0.623 158 A CB -0.736 18.263 19.000 -0.001 0.000 0.818 158 A HN 0.409 nan 8.150 nan 0.000 0.443 159 D N 0.068 120.526 120.400 0.097 0.000 2.117 159 D HA -0.043 4.597 4.640 -0.000 0.000 0.198 159 D C 2.259 178.610 176.300 0.084 0.000 0.982 159 D CA 1.421 55.480 54.000 0.098 0.000 0.828 159 D CB -0.413 40.460 40.800 0.121 0.000 0.967 159 D HN 0.403 nan 8.370 nan 0.000 0.464 160 A N 1.202 124.075 122.820 0.088 0.000 1.940 160 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 160 A C 2.338 179.961 177.584 0.065 0.000 1.176 160 A CA 2.347 54.434 52.037 0.083 0.000 0.631 160 A CB -0.713 18.347 19.000 0.099 0.000 0.814 160 A HN 0.244 nan 8.150 nan 0.000 0.446 161 A N -0.073 122.778 122.820 0.053 0.000 1.883 161 A HA -0.211 4.108 4.320 -0.000 0.000 0.217 161 A C 2.264 179.871 177.584 0.039 0.000 1.186 161 A CA 1.643 53.701 52.037 0.035 0.000 0.624 161 A CB -0.502 18.504 19.000 0.009 0.000 0.822 161 A HN 0.591 nan 8.150 nan 0.000 0.444 162 R N -0.640 119.886 120.500 0.044 0.000 2.073 162 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 162 R C 2.020 178.348 176.300 0.046 0.000 1.134 162 R CA 1.580 57.707 56.100 0.044 0.000 0.952 162 R CB -0.634 29.696 30.300 0.050 0.000 0.850 162 R HN 0.566 nan 8.270 nan 0.000 0.433 163 I N 1.123 121.724 120.570 0.052 0.000 2.315 163 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 163 I C 2.188 178.328 176.117 0.040 0.000 1.125 163 I CA 1.395 62.726 61.300 0.051 0.000 1.392 163 I CB -0.291 37.746 38.000 0.062 0.000 1.065 163 I HN 0.181 nan 8.210 nan 0.000 0.424 164 A N 0.455 123.297 122.820 0.037 0.000 2.259 164 A HA 0.372 4.692 4.320 -0.000 0.000 0.208 164 A C 1.689 179.290 177.584 0.027 0.000 1.201 164 A CA 0.574 52.627 52.037 0.026 0.000 0.824 164 A CB -0.840 18.176 19.000 0.026 0.000 0.838 164 A HN 0.579 nan 8.150 nan 0.000 0.485 165 G N -0.874 107.944 108.800 0.031 0.000 2.225 165 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.264 165 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.264 165 G C -0.224 174.698 174.900 0.035 0.000 1.060 165 G CA 0.521 45.639 45.100 0.029 0.000 0.833 165 G HN 0.515 nan 8.290 nan 0.000 0.498 166 L N -0.683 120.564 121.223 0.040 0.000 2.381 166 L HA 0.499 4.839 4.340 -0.000 0.000 0.268 166 L C 0.151 177.037 176.870 0.027 0.000 0.997 166 L CA -1.345 53.522 54.840 0.044 0.000 0.818 166 L CB 1.921 44.019 42.059 0.065 0.000 1.310 166 L HN 0.108 nan 8.230 nan 0.000 0.416 167 N N 3.947 122.660 118.700 0.020 0.000 2.402 167 N HA 0.178 4.918 4.740 -0.000 0.000 0.252 167 N C -2.336 173.159 175.510 -0.025 0.000 1.118 167 N CA -1.566 51.486 53.050 0.003 0.000 0.945 167 N CB 0.800 39.291 38.487 0.006 0.000 1.147 167 N HN 0.201 nan 8.380 nan 0.000 0.495 168 P HA 0.000 nan 4.420 nan 0.000 0.263 168 P C 0.720 177.954 177.300 -0.111 0.000 1.601 168 P CA -0.051 63.007 63.100 -0.069 0.000 1.161 168 P CB 0.757 32.431 31.700 -0.044 0.000 1.730 169 V N 3.133 122.952 119.914 -0.160 0.000 2.548 169 V HA -0.049 4.071 4.120 -0.000 0.000 0.249 169 V C 1.275 177.096 176.094 -0.456 0.000 1.055 169 V CA 1.534 63.672 62.300 -0.271 0.000 1.065 169 V CB -0.401 31.269 31.823 -0.255 0.000 0.681 169 V HN 0.497 nan 8.190 nan 0.000 0.462 170 R N -1.131 119.170 120.500 -0.332 0.000 2.629 170 R HA 0.369 4.709 4.340 -0.000 0.000 0.266 170 R C -2.068 174.163 176.300 -0.115 0.000 1.051 170 R CA -0.719 55.251 56.100 -0.218 0.000 0.895 170 R CB 1.678 31.866 30.300 -0.186 0.000 1.246 170 R HN 0.137 nan 8.270 nan 0.000 0.459 171 I N 3.421 123.949 120.570 -0.070 0.000 2.328 171 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 171 I C -0.122 175.997 176.117 0.002 0.000 1.012 171 I CA -0.363 60.905 61.300 -0.054 0.000 1.195 171 I CB 1.611 39.575 38.000 -0.060 0.000 1.350 171 I HN 0.255 nan 8.210 nan 0.000 0.464 172 V N 7.057 126.970 119.914 -0.002 0.000 2.732 172 V HA 0.470 4.590 4.120 -0.000 0.000 0.310 172 V C 0.032 176.121 176.094 -0.009 0.000 1.053 172 V CA -0.715 61.618 62.300 0.057 0.000 0.957 172 V CB 2.093 33.958 31.823 0.070 0.000 1.018 172 V HN 0.761 nan 8.190 nan 0.000 0.452 173 N N 3.150 121.869 118.700 0.032 0.000 2.520 173 N HA 0.130 4.870 4.740 -0.000 0.000 0.273 173 N C 0.293 175.750 175.510 -0.088 0.000 1.155 173 N CA 0.016 53.044 53.050 -0.035 0.000 0.967 173 N CB 0.938 39.441 38.487 0.027 0.000 1.092 173 N HN 0.844 nan 8.380 nan 0.000 0.457 174 D N 1.594 121.916 120.400 -0.130 0.000 2.097 174 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 174 D C 1.608 177.830 176.300 -0.131 0.000 0.989 174 D CA 0.974 54.895 54.000 -0.131 0.000 0.827 174 D CB -0.628 40.090 40.800 -0.136 0.000 0.966 174 D HN 0.305 nan 8.370 nan 0.000 0.456 175 V N 0.514 120.361 119.914 -0.112 0.000 2.626 175 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 175 V C 2.024 177.955 176.094 -0.272 0.000 1.067 175 V CA 2.338 64.550 62.300 -0.147 0.000 1.081 175 V CB -0.770 31.027 31.823 -0.044 0.000 0.686 175 V HN 0.297 nan 8.190 nan 0.000 0.468 176 T N 0.508 114.941 114.554 -0.201 0.000 2.777 176 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 176 T C 2.012 176.519 174.700 -0.322 0.000 1.040 176 T CA 1.509 63.468 62.100 -0.234 0.000 1.141 176 T CB -0.448 68.351 68.868 -0.114 0.000 0.868 176 T HN 0.659 nan 8.240 nan 0.000 0.444 177 A N 1.429 124.093 122.820 -0.259 0.000 1.933 177 A HA 0.183 4.503 4.320 -0.000 0.000 0.218 177 A C 2.619 180.044 177.584 -0.266 0.000 1.175 177 A CA 1.728 53.611 52.037 -0.256 0.000 0.628 177 A CB -1.007 17.897 19.000 -0.161 0.000 0.814 177 A HN 0.498 nan 8.150 nan 0.000 0.444 178 A N -0.494 122.158 122.820 -0.279 0.000 1.930 178 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 178 A C 2.360 179.689 177.584 -0.425 0.000 1.175 178 A CA 1.808 53.670 52.037 -0.291 0.000 0.627 178 A CB -1.247 17.604 19.000 -0.249 0.000 0.815 178 A HN 0.695 nan 8.150 nan 0.000 0.443 179 G N -0.630 107.763 108.800 -0.678 0.000 2.408 179 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.217 179 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.217 179 G C 1.491 176.349 174.900 -0.070 0.000 1.150 179 G CA 1.127 45.891 45.100 -0.560 0.000 0.776 179 G HN 0.293 nan 8.290 nan 0.000 0.542 180 V N 1.874 121.613 119.914 -0.291 0.000 2.295 180 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 180 V C 3.294 179.080 176.094 -0.514 0.000 1.049 180 V CA 2.439 64.459 62.300 -0.467 0.000 1.024 180 V CB -0.545 30.943 31.823 -0.558 0.000 0.648 180 V HN 0.623 nan 8.190 nan 0.000 0.447 181 S N -0.782 114.726 115.700 -0.321 0.000 2.399 181 S HA -0.291 4.179 4.470 -0.000 0.000 0.231 181 S C 1.990 176.487 174.600 -0.171 0.000 1.022 181 S CA 1.797 59.848 58.200 -0.249 0.000 0.983 181 S CB -0.803 62.298 63.200 -0.165 0.000 0.803 181 S HN 0.672 nan 8.310 nan 0.000 0.480 182 Y N 2.465 122.628 120.300 -0.228 0.000 2.200 182 Y HA 0.105 4.655 4.550 -0.000 0.000 0.290 182 Y C 2.498 178.297 175.900 -0.168 0.000 1.137 182 Y CA 1.336 59.334 58.100 -0.170 0.000 1.163 182 Y CB -0.893 37.551 38.460 -0.026 0.000 0.988 182 Y HN 0.330 nan 8.280 nan 0.000 0.518 183 G N 0.801 109.624 108.800 0.039 0.000 2.402 183 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 183 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 183 G C 1.628 176.343 174.900 -0.307 0.000 1.162 183 G CA 1.082 46.204 45.100 0.035 0.000 0.777 183 G HN 0.650 nan 8.290 nan 0.000 0.539 184 I N -2.881 117.263 120.570 -0.710 0.000 2.676 184 I HA 0.197 4.366 4.170 -0.000 0.000 0.259 184 I C 2.357 178.327 176.117 -0.244 0.000 1.194 184 I CA 0.854 61.830 61.300 -0.540 0.000 1.473 184 I CB -0.203 37.238 38.000 -0.931 0.000 1.096 184 I HN 0.124 nan 8.210 nan 0.000 0.443 185 F N 2.241 121.975 119.950 -0.359 0.000 2.220 185 F HA 0.221 4.748 4.527 -0.000 0.000 0.290 185 F C 1.351 176.972 175.800 -0.299 0.000 1.080 185 F CA 0.294 58.119 58.000 -0.292 0.000 1.318 185 F CB 0.232 39.059 39.000 -0.288 0.000 1.063 185 F HN -0.216 nan 8.300 nan 0.000 0.498 186 K N 1.000 121.358 120.400 -0.070 0.000 2.355 186 K HA 0.097 4.417 4.320 -0.000 0.000 0.270 186 K C 0.912 177.410 176.600 -0.171 0.000 1.003 186 K CA 0.730 56.894 56.287 -0.205 0.000 0.957 186 K CB 0.751 32.944 32.500 -0.511 0.000 0.939 186 K HN 0.323 nan 8.250 nan 0.000 0.482 187 T N -3.161 111.298 114.554 -0.158 0.000 3.040 187 T HA 0.118 4.468 4.350 -0.000 0.000 0.266 187 T C 0.669 175.332 174.700 -0.062 0.000 1.005 187 T CA 0.353 62.385 62.100 -0.113 0.000 0.906 187 T CB -0.012 68.772 68.868 -0.141 0.000 1.082 187 T HN 0.533 nan 8.240 nan 0.000 0.531 188 D N 1.383 121.751 120.400 -0.053 0.000 2.895 188 D HA 0.614 5.254 4.640 -0.000 0.000 0.350 188 D C 0.258 176.572 176.300 0.023 0.000 1.389 188 D CA -0.548 53.443 54.000 -0.015 0.000 0.812 188 D CB -0.377 40.411 40.800 -0.021 0.000 1.164 188 D HN 0.447 nan 8.370 nan 0.000 0.455 189 L N -0.083 121.169 121.223 0.048 0.000 2.464 189 L HA 0.405 4.745 4.340 -0.000 0.000 0.264 189 L C -1.870 175.063 176.870 0.105 0.000 1.199 189 L CA -1.672 53.233 54.840 0.108 0.000 0.818 189 L CB 0.859 43.021 42.059 0.172 0.000 1.102 189 L HN 0.094 nan 8.230 nan 0.000 0.473 190 P HA -0.020 nan 4.420 nan 0.000 0.267 190 P C -0.279 177.072 177.300 0.084 0.000 1.201 190 P CA 0.229 63.388 63.100 0.099 0.000 0.775 190 P CB 0.824 32.591 31.700 0.111 0.000 0.854 191 E N -0.068 120.168 120.200 0.060 0.000 2.520 191 E HA 0.203 4.553 4.350 -0.000 0.000 0.201 191 E C 1.249 177.870 176.600 0.035 0.000 0.894 191 E CA 0.725 57.153 56.400 0.047 0.000 1.161 191 E CB 0.048 29.771 29.700 0.038 0.000 1.137 191 E HN 0.550 nan 8.360 nan 0.000 0.510 192 G N -0.323 108.496 108.800 0.031 0.000 2.543 192 G HA2 0.022 3.982 3.960 -0.000 0.000 0.202 192 G HA3 0.022 3.982 3.960 -0.000 0.000 0.202 192 G C 0.542 175.454 174.900 0.021 0.000 1.897 192 G CA 0.150 45.263 45.100 0.022 0.000 0.726 192 G HN 0.076 nan 8.290 nan 0.000 0.804 193 E N 1.124 121.335 120.200 0.019 0.000 2.489 193 E HA 0.154 4.504 4.350 -0.000 0.000 0.193 193 E C 0.334 176.948 176.600 0.023 0.000 1.057 193 E CA -0.151 56.260 56.400 0.018 0.000 0.866 193 E CB -0.137 29.572 29.700 0.014 0.000 0.916 193 E HN 0.527 nan 8.360 nan 0.000 0.500 194 E N 1.017 121.234 120.200 0.029 0.000 2.414 194 E HA 0.153 4.503 4.350 -0.000 0.000 0.263 194 E C 0.126 176.751 176.600 0.041 0.000 1.000 194 E CA 0.235 56.656 56.400 0.035 0.000 0.914 194 E CB 0.364 30.089 29.700 0.042 0.000 0.948 194 E HN 0.162 nan 8.360 nan 0.000 0.444 195 K N 4.368 124.792 120.400 0.040 0.000 2.489 195 K HA 0.098 4.418 4.320 -0.000 0.000 0.278 195 K C -2.218 174.421 176.600 0.065 0.000 1.000 195 K CA -1.143 55.170 56.287 0.044 0.000 1.012 195 K CB -0.823 31.699 32.500 0.036 0.000 0.903 195 K HN 0.345 nan 8.250 nan 0.000 0.485 196 P HA 0.114 nan 4.420 nan 0.000 0.272 196 P C -0.689 176.695 177.300 0.139 0.000 1.223 196 P CA -0.385 62.782 63.100 0.112 0.000 0.784 196 P CB 0.572 32.329 31.700 0.094 0.000 0.923 197 R N 2.400 123.029 120.500 0.214 0.000 2.267 197 R HA 0.341 4.680 4.340 -0.000 0.000 0.319 197 R C -0.396 176.077 176.300 0.288 0.000 1.067 197 R CA -0.215 56.032 56.100 0.246 0.000 0.936 197 R CB -0.588 29.896 30.300 0.305 0.000 1.006 197 R HN 0.398 nan 8.270 nan 0.000 0.452 198 I N 5.768 126.443 120.570 0.175 0.000 2.307 198 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 198 I C -0.726 175.442 176.117 0.085 0.000 1.021 198 I CA -0.712 60.674 61.300 0.145 0.000 1.224 198 I CB 1.654 39.696 38.000 0.069 0.000 1.376 198 I HN 0.336 nan 8.210 nan 0.000 0.470 199 V N 5.983 125.965 119.914 0.113 0.000 2.409 199 V HA 0.603 4.723 4.120 -0.000 0.000 0.291 199 V C 0.389 176.348 176.094 -0.224 0.000 1.020 199 V CA -0.754 61.441 62.300 -0.174 0.000 0.848 199 V CB 1.493 32.998 31.823 -0.531 0.000 0.990 199 V HN 0.777 nan 8.190 nan 0.000 0.430 200 A N 5.156 127.752 122.820 -0.372 0.000 2.320 200 A HA 0.801 5.121 4.320 -0.000 0.000 0.287 200 A C -0.773 176.563 177.584 -0.413 0.000 1.181 200 A CA -0.174 51.699 52.037 -0.274 0.000 0.831 200 A CB 0.013 18.733 19.000 -0.467 0.000 1.102 200 A HN 0.654 nan 8.150 nan 0.000 0.513 201 F N 2.087 122.003 119.950 -0.057 0.000 2.415 201 F HA 0.478 5.005 4.527 -0.000 0.000 0.348 201 F C 0.096 175.919 175.800 0.037 0.000 1.119 201 F CA -0.526 57.448 58.000 -0.043 0.000 1.069 201 F CB 2.058 41.033 39.000 -0.042 0.000 1.124 201 F HN 0.250 nan 8.300 nan 0.000 0.472 202 V N 2.740 122.762 119.914 0.180 0.000 2.378 202 V HA 0.274 4.394 4.120 -0.000 0.000 0.288 202 V C -0.797 175.386 176.094 0.148 0.000 1.016 202 V CA -0.681 61.741 62.300 0.204 0.000 0.840 202 V CB 1.508 33.457 31.823 0.210 0.000 0.994 202 V HN 0.594 nan 8.190 nan 0.000 0.431 203 D N 5.093 125.595 120.400 0.170 0.000 2.381 203 D HA 0.549 5.189 4.640 -0.000 0.000 0.235 203 D C -0.812 175.561 176.300 0.122 0.000 1.068 203 D CA -0.216 53.855 54.000 0.117 0.000 0.832 203 D CB 1.416 42.279 40.800 0.104 0.000 1.101 203 D HN 0.453 nan 8.370 nan 0.000 0.515 204 I N 3.106 123.698 120.570 0.037 0.000 2.439 204 I HA 0.478 4.648 4.170 -0.000 0.000 0.285 204 I C 0.921 177.068 176.117 0.050 0.000 1.021 204 I CA -0.734 60.585 61.300 0.032 0.000 1.091 204 I CB 2.073 39.998 38.000 -0.125 0.000 1.242 204 I HN 0.329 nan 8.210 nan 0.000 0.439 205 G N 2.801 111.663 108.800 0.103 0.000 3.099 205 G HA2 0.121 4.081 3.960 -0.000 0.000 0.151 205 G HA3 0.121 4.081 3.960 -0.000 0.000 0.151 205 G C 0.709 175.684 174.900 0.126 0.000 1.265 205 G CA -0.036 45.123 45.100 0.099 0.000 0.981 205 G HN 0.693 nan 8.290 nan 0.000 0.601 206 H N -0.404 118.687 119.070 0.035 0.000 2.428 206 H HA -0.062 4.494 4.556 -0.000 0.000 0.296 206 H C 2.130 177.481 175.328 0.038 0.000 1.062 206 H CA 2.106 58.167 56.048 0.021 0.000 1.350 206 H CB 0.389 30.146 29.762 -0.010 0.000 1.403 206 H HN 0.403 nan 8.280 nan 0.000 0.533 207 S N -1.318 114.428 115.700 0.077 0.000 2.663 207 S HA 0.205 4.675 4.470 -0.000 0.000 0.247 207 S C 0.433 175.120 174.600 0.144 0.000 1.074 207 S CA -0.488 57.731 58.200 0.032 0.000 0.955 207 S CB 0.872 64.110 63.200 0.063 0.000 0.901 207 S HN 0.078 nan 8.310 nan 0.000 0.505 208 S N 0.453 116.291 115.700 0.231 0.000 2.600 208 S HA 0.626 5.096 4.470 -0.000 0.000 0.300 208 S C -1.745 173.062 174.600 0.344 0.000 1.087 208 S CA -0.706 57.678 58.200 0.308 0.000 0.965 208 S CB 1.630 65.105 63.200 0.459 0.000 1.089 208 S HN 0.498 nan 8.310 nan 0.000 0.496 209 Y N 1.344 121.735 120.300 0.151 0.000 2.327 209 Y HA 0.467 5.017 4.550 -0.000 0.000 0.325 209 Y C -1.121 174.808 175.900 0.049 0.000 0.999 209 Y CA -0.545 57.576 58.100 0.036 0.000 1.195 209 Y CB 0.954 39.301 38.460 -0.188 0.000 1.132 209 Y HN 0.552 nan 8.280 nan 0.000 0.455 210 T N 5.869 120.641 114.554 0.362 0.000 2.812 210 T HA 0.264 4.614 4.350 -0.000 0.000 0.282 210 T C -1.283 173.548 174.700 0.219 0.000 0.990 210 T CA -0.421 61.791 62.100 0.187 0.000 0.960 210 T CB 1.030 69.994 68.868 0.161 0.000 0.948 210 T HN 0.699 nan 8.240 nan 0.000 0.438 211 C N 3.354 122.718 119.300 0.107 0.000 2.322 211 C HA 0.823 5.283 4.460 -0.000 0.000 0.324 211 C C 0.098 175.180 174.990 0.154 0.000 1.284 211 C CA -0.274 58.852 59.018 0.180 0.000 1.606 211 C CB -0.073 27.771 27.740 0.174 0.000 2.251 211 C HN 0.840 nan 8.230 nan 0.000 0.502 212 S N 6.812 122.633 115.700 0.201 0.000 2.733 212 S HA 0.674 5.144 4.470 -0.000 0.000 0.294 212 S C -0.463 174.277 174.600 0.233 0.000 1.149 212 S CA -0.631 57.674 58.200 0.175 0.000 1.034 212 S CB 0.220 63.492 63.200 0.119 0.000 1.015 212 S HN 0.668 nan 8.310 nan 0.000 0.486 216 F N 1.993 122.023 119.950 0.133 0.000 2.458 216 F HA 0.663 5.190 4.527 -0.000 0.000 0.336 216 F C 0.644 176.523 175.800 0.131 0.000 1.114 216 F CA 0.001 58.107 58.000 0.176 0.000 0.987 216 F CB 2.326 41.490 39.000 0.274 0.000 1.130 216 F HN 0.516 nan 8.300 nan 0.000 0.458 217 K N 1.619 122.171 120.400 0.253 0.000 2.444 217 K HA 0.323 4.643 4.320 -0.000 0.000 0.252 217 K C -0.913 175.802 176.600 0.192 0.000 0.993 217 K CA -1.399 54.998 56.287 0.183 0.000 0.847 217 K CB 2.517 35.067 32.500 0.084 0.000 1.340 217 K HN 0.455 nan 8.250 nan 0.000 0.446 218 K N 0.376 120.867 120.400 0.153 0.000 2.504 218 K HA -0.113 4.207 4.320 -0.000 0.000 0.278 218 K C 0.706 177.368 176.600 0.103 0.000 1.025 218 K CA 1.688 58.065 56.287 0.149 0.000 1.093 218 K CB -0.181 32.377 32.500 0.096 0.000 0.873 218 K HN 0.832 nan 8.250 nan 0.000 0.483 219 G N 2.557 111.459 108.800 0.171 0.000 2.184 219 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.264 219 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.264 219 G C -0.414 174.156 174.900 -0.550 0.000 0.975 219 G CA 0.851 45.962 45.100 0.018 0.000 0.642 219 G HN 0.720 nan 8.290 nan 0.000 0.536 220 Q N -1.296 118.142 119.800 -0.605 0.000 2.482 220 Q HA 0.763 5.103 4.340 -0.000 0.000 0.286 220 Q C -1.057 174.699 176.000 -0.406 0.000 1.007 220 Q CA -1.156 54.202 55.803 -0.742 0.000 0.801 220 Q CB 2.029 30.569 28.738 -0.330 0.000 1.455 220 Q HN 1.152 nan 8.270 nan 0.000 0.398 221 L N -2.977 118.038 121.223 -0.346 0.000 2.434 221 L HA 0.979 5.319 4.340 -0.000 0.000 0.260 221 L C -1.507 175.243 176.870 -0.200 0.000 0.983 221 L CA -0.563 54.083 54.840 -0.324 0.000 0.820 221 L CB 1.629 43.361 42.059 -0.545 0.000 1.361 221 L HN 0.898 nan 8.230 nan 0.000 0.410 222 K N 1.786 122.060 120.400 -0.210 0.000 2.376 222 K HA 0.786 5.106 4.320 -0.000 0.000 0.257 222 K C -0.544 175.981 176.600 -0.125 0.000 0.939 222 K CA -0.185 56.024 56.287 -0.129 0.000 0.809 222 K CB 1.563 34.009 32.500 -0.090 0.000 1.121 222 K HN 1.581 nan 8.250 nan 0.000 0.425 223 V N 3.165 123.024 119.914 -0.092 0.000 2.555 223 V HA 0.354 4.474 4.120 -0.000 0.000 0.286 223 V C 0.205 176.286 176.094 -0.021 0.000 1.044 223 V CA -0.182 62.087 62.300 -0.051 0.000 1.026 223 V CB 0.834 32.633 31.823 -0.040 0.000 0.981 223 V HN 0.758 nan 8.190 nan 0.000 0.480 224 L N 5.739 126.967 121.223 0.008 0.000 2.515 224 L HA 0.639 4.979 4.340 -0.000 0.000 0.223 224 L C 1.075 177.966 176.870 0.035 0.000 1.079 224 L CA 0.887 55.740 54.840 0.022 0.000 0.857 224 L CB -0.292 41.786 42.059 0.032 0.000 1.050 224 L HN 1.022 nan 8.230 nan 0.000 0.476 225 G N -1.257 107.569 108.800 0.044 0.000 2.717 225 G HA2 0.478 4.438 3.960 -0.000 0.000 0.300 225 G HA3 0.478 4.438 3.960 -0.000 0.000 0.300 225 G C -1.247 173.686 174.900 0.056 0.000 1.424 225 G CA -0.355 44.773 45.100 0.046 0.000 1.033 225 G HN -0.209 nan 8.290 nan 0.000 0.577 226 T N 0.520 115.099 114.554 0.043 0.000 2.848 226 T HA 0.831 5.181 4.350 -0.000 0.000 0.285 226 T C -0.073 174.647 174.700 0.033 0.000 0.995 226 T CA -0.016 62.113 62.100 0.049 0.000 0.970 226 T CB 1.753 70.651 68.868 0.050 0.000 0.976 226 T HN 1.434 nan 8.240 nan 0.000 0.441 227 A N 1.462 124.295 122.820 0.023 0.000 2.498 227 A HA 0.816 5.136 4.320 -0.000 0.000 0.298 227 A C -0.924 176.637 177.584 -0.038 0.000 1.075 227 A CA -0.646 51.384 52.037 -0.011 0.000 0.714 227 A CB 1.293 20.262 19.000 -0.053 0.000 1.299 227 A HN 0.915 nan 8.150 nan 0.000 0.407 228 C N 0.794 120.074 119.300 -0.033 0.000 2.698 228 C HA 0.732 5.192 4.460 -0.000 0.000 0.309 228 C C -1.115 173.814 174.990 -0.101 0.000 1.186 228 C CA -0.465 58.550 59.018 -0.005 0.000 1.474 228 C CB 1.750 29.611 27.740 0.202 0.000 2.020 228 C HN 0.887 nan 8.230 nan 0.000 0.474 229 D N 1.802 122.120 120.400 -0.136 0.000 2.454 229 D HA 0.200 4.840 4.640 -0.000 0.000 0.247 229 D C 0.707 176.984 176.300 -0.038 0.000 1.129 229 D CA -0.242 53.716 54.000 -0.070 0.000 0.877 229 D CB 0.921 41.713 40.800 -0.013 0.000 1.082 229 D HN 0.700 nan 8.370 nan 0.000 0.537 230 K N 2.779 122.973 120.400 -0.343 0.000 2.525 230 K HA -0.049 4.271 4.320 -0.000 0.000 0.192 230 K C -0.261 176.004 176.600 -0.559 0.000 1.029 230 K CA 0.541 56.414 56.287 -0.689 0.000 1.029 230 K CB 0.126 31.561 32.500 -1.776 0.000 0.814 230 K HN 0.344 nan 8.250 nan 0.000 0.503 231 H N 0.031 119.068 119.070 -0.055 0.000 2.505 231 H HA 0.240 4.796 4.556 -0.000 0.000 0.260 231 H C -1.617 173.789 175.328 0.131 0.000 1.232 231 H CA -0.488 55.561 56.048 0.003 0.000 0.991 231 H CB -0.481 29.265 29.762 -0.027 0.000 1.729 231 H HN 0.155 nan 8.280 nan 0.000 0.561 232 F N 0.665 120.685 119.950 0.118 0.000 3.090 232 F HA 0.503 5.030 4.527 -0.000 0.000 0.381 232 F C -0.388 175.511 175.800 0.165 0.000 1.231 232 F CA -0.435 57.672 58.000 0.178 0.000 1.177 232 F CB 0.842 40.011 39.000 0.282 0.000 1.598 232 F HN 0.244 nan 8.300 nan 0.000 0.589 233 G N 1.310 110.276 108.800 0.276 0.000 2.682 233 G HA2 0.394 4.354 3.960 -0.000 0.000 0.303 233 G HA3 0.394 4.354 3.960 -0.000 0.000 0.303 233 G C 0.559 175.540 174.900 0.134 0.000 1.341 233 G CA -0.134 45.092 45.100 0.210 0.000 0.784 233 G HN 0.656 nan 8.290 nan 0.000 0.497 234 G N -0.416 108.397 108.800 0.022 0.000 2.440 234 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 234 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 234 G C 1.650 176.545 174.900 -0.008 0.000 1.154 234 G CA 1.476 46.576 45.100 -0.001 0.000 0.767 234 G HN 0.667 nan 8.290 nan 0.000 0.552 235 R N 0.369 120.668 120.500 -0.336 0.000 2.190 235 R HA -0.193 4.147 4.340 -0.000 0.000 0.255 235 R C 2.056 178.332 176.300 -0.040 0.000 1.143 235 R CA 2.350 58.218 56.100 -0.387 0.000 0.965 235 R CB -0.283 29.637 30.300 -0.633 0.000 0.889 235 R HN 0.367 nan 8.270 nan 0.000 0.448 236 D N -1.319 119.080 120.400 -0.002 0.000 2.277 236 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 236 D C 1.669 177.934 176.300 -0.059 0.000 0.962 236 D CA 0.980 54.973 54.000 -0.012 0.000 0.865 236 D CB -0.061 40.676 40.800 -0.105 0.000 0.939 236 D HN 0.274 nan 8.370 nan 0.000 0.510 237 F N 1.678 121.567 119.950 -0.101 0.000 2.149 237 F HA -0.089 4.438 4.527 -0.000 0.000 0.294 237 F C 2.178 177.951 175.800 -0.045 0.000 1.095 237 F CA 0.643 58.593 58.000 -0.083 0.000 1.276 237 F CB 0.030 38.988 39.000 -0.070 0.000 1.023 237 F HN -0.226 nan 8.300 nan 0.000 0.480 238 D N 0.316 120.823 120.400 0.179 0.000 2.123 238 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 238 D C 2.114 178.462 176.300 0.080 0.000 0.992 238 D CA 1.160 55.232 54.000 0.120 0.000 0.833 238 D CB -0.651 40.227 40.800 0.130 0.000 0.954 238 D HN 0.166 nan 8.370 nan 0.000 0.455 239 L N 0.584 121.855 121.223 0.080 0.000 2.109 239 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 239 L C 2.066 178.948 176.870 0.021 0.000 1.086 239 L CA 1.516 56.404 54.840 0.080 0.000 0.760 239 L CB -0.779 41.347 42.059 0.112 0.000 0.910 239 L HN -0.028 nan 8.230 nan 0.000 0.437 240 A N -0.007 122.788 122.820 -0.042 0.000 1.908 240 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 240 A C 2.271 179.799 177.584 -0.094 0.000 1.181 240 A CA 2.191 54.166 52.037 -0.102 0.000 0.627 240 A CB -0.914 17.961 19.000 -0.209 0.000 0.818 240 A HN 0.512 nan 8.150 nan 0.000 0.445 241 I N -0.513 120.013 120.570 -0.073 0.000 2.163 241 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 241 I C 2.610 178.726 176.117 -0.001 0.000 1.085 241 I CA 1.876 63.132 61.300 -0.073 0.000 1.347 241 I CB -0.613 37.382 38.000 -0.008 0.000 1.044 241 I HN 0.262 nan 8.210 nan 0.000 0.408 242 T N -0.031 114.531 114.554 0.013 0.000 2.777 242 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 242 T C 1.818 176.502 174.700 -0.027 0.000 1.040 242 T CA 1.071 63.159 62.100 -0.021 0.000 1.141 242 T CB -0.159 68.613 68.868 -0.160 0.000 0.868 242 T HN 0.288 nan 8.240 nan 0.000 0.444 243 E N 0.561 120.767 120.200 0.009 0.000 2.072 243 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 243 E C 1.999 178.562 176.600 -0.062 0.000 0.985 243 E CA 1.166 57.581 56.400 0.024 0.000 0.801 243 E CB -0.442 29.276 29.700 0.032 0.000 0.750 243 E HN 0.665 nan 8.360 nan 0.000 0.452 244 H N 0.163 119.093 119.070 -0.233 0.000 2.289 244 H HA -0.162 4.394 4.556 -0.000 0.000 0.296 244 H C 1.788 176.840 175.328 -0.459 0.000 1.091 244 H CA 2.028 57.843 56.048 -0.388 0.000 1.274 244 H CB -0.424 28.993 29.762 -0.576 0.000 1.364 244 H HN 0.042 nan 8.280 nan 0.000 0.490 245 F N 0.394 120.043 119.950 -0.502 0.000 2.293 245 F HA 0.053 4.580 4.527 -0.000 0.000 0.300 245 F C 2.751 178.093 175.800 -0.763 0.000 1.086 245 F CA 0.888 58.364 58.000 -0.872 0.000 1.375 245 F CB -0.941 37.570 39.000 -0.815 0.000 1.045 245 F HN 0.394 nan 8.300 nan 0.000 0.516 246 A N 0.109 122.840 122.820 -0.149 0.000 1.908 246 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 246 A C 2.063 179.637 177.584 -0.016 0.000 1.181 246 A CA 2.173 54.222 52.037 0.021 0.000 0.627 246 A CB -0.762 18.315 19.000 0.129 0.000 0.818 246 A HN 0.269 nan 8.150 nan 0.000 0.445 247 D N -0.861 119.467 120.400 -0.121 0.000 2.097 247 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 247 D C 1.907 178.120 176.300 -0.145 0.000 0.984 247 D CA 1.442 55.373 54.000 -0.116 0.000 0.826 247 D CB -0.479 40.233 40.800 -0.147 0.000 0.973 247 D HN 0.732 nan 8.370 nan 0.000 0.460 248 E N -0.233 119.771 120.200 -0.328 0.000 2.085 248 E HA -0.187 4.162 4.350 -0.000 0.000 0.194 248 E C 1.744 178.381 176.600 0.062 0.000 0.994 248 E CA 0.897 57.151 56.400 -0.243 0.000 0.801 248 E CB -0.049 29.402 29.700 -0.415 0.000 0.743 248 E HN 0.109 nan 8.360 nan 0.000 0.453 249 F N 0.926 120.960 119.950 0.140 0.000 2.325 249 F HA 0.055 4.582 4.527 -0.000 0.000 0.299 249 F C 2.171 178.069 175.800 0.163 0.000 1.090 249 F CA 0.710 58.857 58.000 0.245 0.000 1.392 249 F CB -0.449 38.726 39.000 0.291 0.000 1.053 249 F HN -0.045 nan 8.300 nan 0.000 0.521 250 K N -0.034 120.520 120.400 0.257 0.000 2.057 250 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 250 K C 2.200 178.865 176.600 0.108 0.000 1.049 250 K CA 2.053 58.434 56.287 0.157 0.000 0.931 250 K CB -0.326 32.232 32.500 0.095 0.000 0.714 250 K HN 0.367 nan 8.250 nan 0.000 0.440 251 T N -1.379 113.219 114.554 0.073 0.000 2.937 251 T HA -0.023 4.327 4.350 -0.000 0.000 0.260 251 T C 1.900 176.600 174.700 -0.000 0.000 1.051 251 T CA 0.776 62.892 62.100 0.027 0.000 1.141 251 T CB 0.049 68.916 68.868 -0.001 0.000 0.879 251 T HN 0.068 nan 8.240 nan 0.000 0.459 252 K N -0.315 120.083 120.400 -0.004 0.000 2.044 252 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 252 K C 1.402 177.784 176.600 -0.363 0.000 1.049 252 K CA 1.002 57.161 56.287 -0.214 0.000 0.945 252 K CB 0.017 32.351 32.500 -0.276 0.000 0.724 252 K HN 0.509 nan 8.250 nan 0.000 0.440 253 Y N -0.809 119.555 120.300 0.106 0.000 2.445 253 Y HA 0.154 4.704 4.550 -0.000 0.000 0.247 253 Y C 0.823 176.746 175.900 0.038 0.000 1.129 253 Y CA 0.377 58.500 58.100 0.038 0.000 1.251 253 Y CB 1.290 39.729 38.460 -0.035 0.000 1.176 253 Y HN 0.046 nan 8.280 nan 0.000 0.522 254 K N 1.094 121.595 120.400 0.169 0.000 3.192 254 K HA -0.220 4.100 4.320 -0.000 0.000 0.278 254 K C -0.232 176.445 176.600 0.128 0.000 1.164 254 K CA 1.371 57.730 56.287 0.119 0.000 0.816 254 K CB -3.123 29.425 32.500 0.080 0.000 1.256 254 K HN 0.721 nan 8.250 nan 0.000 0.497 255 I N -3.352 117.321 120.570 0.173 0.000 2.493 255 I HA 0.784 4.954 4.170 -0.000 0.000 0.298 255 I C -0.330 175.888 176.117 0.169 0.000 0.998 255 I CA -1.085 60.300 61.300 0.141 0.000 1.137 255 I CB 2.482 40.543 38.000 0.102 0.000 1.310 255 I HN 0.045 nan 8.210 nan 0.000 0.445 256 D N 5.684 126.165 120.400 0.135 0.000 2.462 256 D HA 0.303 4.943 4.640 -0.000 0.000 0.249 256 D C 0.890 177.284 176.300 0.156 0.000 1.117 256 D CA -0.583 53.502 54.000 0.142 0.000 0.900 256 D CB 1.138 41.999 40.800 0.101 0.000 1.039 256 D HN 0.719 nan 8.370 nan 0.000 0.516 257 I N 0.505 121.205 120.570 0.216 0.000 2.756 257 I HA -0.065 4.105 4.170 -0.000 0.000 0.262 257 I C 1.550 177.844 176.117 0.295 0.000 1.225 257 I CA 0.415 61.868 61.300 0.257 0.000 1.472 257 I CB 0.097 38.275 38.000 0.297 0.000 1.094 257 I HN 0.032 nan 8.210 nan 0.000 0.454 258 R N 0.943 121.584 120.500 0.234 0.000 2.189 258 R HA -0.035 4.305 4.340 -0.000 0.000 0.223 258 R C 1.452 177.779 176.300 0.045 0.000 1.092 258 R CA 0.775 56.942 56.100 0.111 0.000 0.989 258 R CB -0.108 30.235 30.300 0.072 0.000 0.876 258 R HN 0.429 nan 8.270 nan 0.000 0.457 259 E N -0.011 120.234 120.200 0.075 0.000 2.479 259 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 259 E C -0.183 176.452 176.600 0.058 0.000 1.049 259 E CA 0.264 56.695 56.400 0.053 0.000 0.870 259 E CB 0.179 29.911 29.700 0.054 0.000 0.944 259 E HN 0.108 nan 8.360 nan 0.000 0.492 260 N N 0.427 119.178 118.700 0.085 0.000 2.648 260 N HA 0.149 4.889 4.740 -0.000 0.000 0.261 260 N C -2.368 173.214 175.510 0.121 0.000 1.138 260 N CA -1.770 51.333 53.050 0.089 0.000 0.804 260 N CB 1.552 40.092 38.487 0.088 0.000 1.237 260 N HN -0.286 nan 8.380 nan 0.000 0.532 261 P HA -0.159 nan 4.420 nan 0.000 0.216 261 P C 1.214 178.609 177.300 0.158 0.000 1.154 261 P CA 1.394 64.556 63.100 0.103 0.000 0.865 261 P CB 0.609 32.345 31.700 0.061 0.000 0.789 262 K N -0.690 119.781 120.400 0.118 0.000 2.001 262 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 262 K C 2.108 178.775 176.600 0.110 0.000 1.048 262 K CA 1.468 57.818 56.287 0.104 0.000 0.932 262 K CB -0.740 31.802 32.500 0.071 0.000 0.715 262 K HN -0.059 nan 8.250 nan 0.000 0.437 263 A N 0.331 123.216 122.820 0.107 0.000 1.892 263 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 263 A C 2.082 179.752 177.584 0.143 0.000 1.188 263 A CA 1.790 53.885 52.037 0.097 0.000 0.631 263 A CB -1.098 17.956 19.000 0.090 0.000 0.822 263 A HN 0.564 nan 8.150 nan 0.000 0.447 264 Y N 1.025 121.376 120.300 0.085 0.000 2.114 264 Y HA -0.284 4.266 4.550 -0.000 0.000 0.282 264 Y C 2.450 178.413 175.900 0.105 0.000 1.165 264 Y CA 2.266 60.430 58.100 0.106 0.000 1.148 264 Y CB -0.266 38.246 38.460 0.088 0.000 0.972 264 Y HN 0.475 nan 8.280 nan 0.000 0.504 265 N N 0.259 119.115 118.700 0.260 0.000 2.166 265 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 265 N C 1.908 177.464 175.510 0.077 0.000 1.019 265 N CA 1.230 54.384 53.050 0.172 0.000 0.856 265 N CB -0.142 38.441 38.487 0.160 0.000 0.993 265 N HN 0.429 nan 8.380 nan 0.000 0.426 266 R N 0.153 120.687 120.500 0.056 0.000 2.105 266 R HA -0.054 4.286 4.340 -0.000 0.000 0.239 266 R C 2.173 178.482 176.300 0.015 0.000 1.135 266 R CA 0.959 57.069 56.100 0.017 0.000 0.967 266 R CB -0.040 30.255 30.300 -0.008 0.000 0.861 266 R HN 0.286 nan 8.270 nan 0.000 0.442 267 I N 0.677 121.264 120.570 0.028 0.000 2.233 267 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 267 I C 2.400 178.579 176.117 0.102 0.000 1.093 267 I CA 1.022 62.389 61.300 0.112 0.000 1.380 267 I CB -1.078 36.992 38.000 0.117 0.000 1.067 267 I HN 0.246 nan 8.210 nan 0.000 0.413 268 L N 0.728 121.926 121.223 -0.042 0.000 2.013 268 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 268 L C 2.526 179.447 176.870 0.086 0.000 1.073 268 L CA 2.051 56.893 54.840 0.003 0.000 0.753 268 L CB -0.468 41.609 42.059 0.031 0.000 0.890 268 L HN 0.289 nan 8.230 nan 0.000 0.432 269 T N -0.259 114.342 114.554 0.078 0.000 2.746 269 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 269 T C 1.857 176.610 174.700 0.089 0.000 1.039 269 T CA 1.252 63.395 62.100 0.072 0.000 1.142 269 T CB -0.299 68.594 68.868 0.042 0.000 0.866 269 T HN 0.527 nan 8.240 nan 0.000 0.444 270 A N 1.399 124.284 122.820 0.109 0.000 1.969 270 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 270 A C 2.624 180.415 177.584 0.345 0.000 1.169 270 A CA 1.566 53.693 52.037 0.151 0.000 0.635 270 A CB -0.982 18.014 19.000 -0.008 0.000 0.810 270 A HN 0.499 nan 8.150 nan 0.000 0.445 271 A N -0.595 122.423 122.820 0.330 0.000 2.019 271 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 271 A C 2.023 179.703 177.584 0.160 0.000 1.164 271 A CA 1.648 53.814 52.037 0.216 0.000 0.644 271 A CB -0.377 18.691 19.000 0.114 0.000 0.805 271 A HN 0.564 nan 8.150 nan 0.000 0.449 272 E N 0.182 120.468 120.200 0.144 0.000 2.072 272 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 272 E C 1.885 178.545 176.600 0.099 0.000 0.982 272 E CA 1.312 57.779 56.400 0.113 0.000 0.803 272 E CB -0.073 29.688 29.700 0.101 0.000 0.755 272 E HN 0.623 nan 8.360 nan 0.000 0.453 273 K N 0.494 120.959 120.400 0.109 0.000 2.057 273 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 273 K C 2.184 178.851 176.600 0.113 0.000 1.049 273 K CA 0.990 57.332 56.287 0.092 0.000 0.931 273 K CB -0.257 32.288 32.500 0.076 0.000 0.714 273 K HN 0.048 nan 8.250 nan 0.000 0.440 274 L N 1.709 123.038 121.223 0.176 0.000 2.017 274 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 274 L C 2.156 179.095 176.870 0.114 0.000 1.073 274 L CA 1.818 56.768 54.840 0.183 0.000 0.745 274 L CB -0.370 41.841 42.059 0.253 0.000 0.894 274 L HN 0.050 nan 8.230 nan 0.000 0.432 275 K N -0.263 120.198 120.400 0.101 0.000 2.044 275 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 275 K C 2.147 178.769 176.600 0.037 0.000 1.049 275 K CA 2.061 58.392 56.287 0.074 0.000 0.927 275 K CB -0.106 32.443 32.500 0.082 0.000 0.713 275 K HN 0.380 nan 8.250 nan 0.000 0.443 276 K N 0.092 120.514 120.400 0.036 0.000 2.097 276 K HA -0.080 4.239 4.320 -0.000 0.000 0.205 276 K C 2.000 178.612 176.600 0.020 0.000 1.050 276 K CA 1.235 57.531 56.287 0.014 0.000 0.938 276 K CB 0.029 32.539 32.500 0.017 0.000 0.718 276 K HN 0.000 nan 8.250 nan 0.000 0.442 277 V N 1.743 121.681 119.914 0.040 0.000 2.490 277 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 277 V C 1.904 178.019 176.094 0.035 0.000 1.061 277 V CA 1.441 63.765 62.300 0.040 0.000 1.064 277 V CB -0.367 31.491 31.823 0.058 0.000 0.670 277 V HN 0.295 nan 8.190 nan 0.000 0.461 278 L N -0.425 120.821 121.223 0.040 0.000 2.610 278 L HA 0.032 4.372 4.340 -0.000 0.000 0.232 278 L C 2.103 178.984 176.870 0.017 0.000 1.149 278 L CA 0.351 55.211 54.840 0.034 0.000 0.872 278 L CB -0.235 41.851 42.059 0.044 0.000 0.992 278 L HN 0.239 nan 8.230 nan 0.000 0.447 279 S N -0.427 115.275 115.700 0.004 0.000 2.478 279 S HA 0.107 4.577 4.470 -0.000 0.000 0.222 279 S C 1.941 176.539 174.600 -0.004 0.000 1.008 279 S CA 0.819 59.011 58.200 -0.012 0.000 0.928 279 S CB 0.419 63.599 63.200 -0.033 0.000 0.781 279 S HN 0.503 nan 8.310 nan 0.000 0.518 280 A N 0.978 123.800 122.820 0.004 0.000 2.035 280 A HA 0.381 4.701 4.320 -0.000 0.000 0.208 280 A C 0.427 178.017 177.584 0.011 0.000 1.206 280 A CA 0.092 52.133 52.037 0.006 0.000 0.773 280 A CB 0.144 19.148 19.000 0.007 0.000 0.878 280 A HN 0.438 nan 8.150 nan 0.000 0.469 281 N N -2.777 115.933 118.700 0.017 0.000 2.380 281 N HA 0.452 5.192 4.740 -0.000 0.000 0.290 281 N C 0.059 175.583 175.510 0.023 0.000 1.236 281 N CA -0.141 52.922 53.050 0.021 0.000 0.780 281 N CB 1.563 40.066 38.487 0.026 0.000 1.438 281 N HN -0.120 nan 8.380 nan 0.000 0.491 282 T N -0.776 113.791 114.554 0.022 0.000 3.044 282 T HA 0.247 4.596 4.350 -0.000 0.000 0.250 282 T C -0.335 174.380 174.700 0.025 0.000 1.081 282 T CA 0.570 62.682 62.100 0.020 0.000 1.040 282 T CB -0.328 68.549 68.868 0.016 0.000 0.962 282 T HN 0.355 nan 8.240 nan 0.000 0.506 283 N N 0.216 118.936 118.700 0.034 0.000 2.331 283 N HA 0.629 5.369 4.740 -0.000 0.000 0.280 283 N C -1.952 173.594 175.510 0.060 0.000 1.155 283 N CA -0.287 52.790 53.050 0.045 0.000 0.822 283 N CB 2.313 40.826 38.487 0.043 0.000 1.619 283 N HN 0.166 nan 8.380 nan 0.000 0.476 284 A N 1.982 124.853 122.820 0.084 0.000 2.517 284 A HA 0.630 4.950 4.320 -0.000 0.000 0.297 284 A C -2.934 174.739 177.584 0.147 0.000 1.050 284 A CA -1.003 51.097 52.037 0.105 0.000 0.694 284 A CB 1.994 21.059 19.000 0.109 0.000 1.277 284 A HN 0.349 nan 8.150 nan 0.000 0.400 285 P HA 0.408 nan 4.420 nan 0.000 0.278 285 P C -1.029 176.409 177.300 0.229 0.000 1.238 285 P CA -0.064 63.133 63.100 0.162 0.000 0.794 285 P CB 0.662 32.419 31.700 0.096 0.000 0.955 286 F N 2.491 122.462 119.950 0.034 0.000 2.430 286 F HA 0.332 4.859 4.527 -0.000 0.000 0.362 286 F C -0.386 175.374 175.800 -0.067 0.000 1.103 286 F CA -0.256 57.708 58.000 -0.061 0.000 1.045 286 F CB 0.941 39.800 39.000 -0.234 0.000 1.276 286 F HN 0.298 nan 8.300 nan 0.000 0.444 287 S N 4.789 120.268 115.700 -0.369 0.000 2.532 287 S HA 0.881 5.351 4.470 -0.000 0.000 0.299 287 S C -1.413 172.892 174.600 -0.492 0.000 1.105 287 S CA -0.655 57.327 58.200 -0.364 0.000 1.018 287 S CB 1.857 64.951 63.200 -0.177 0.000 1.021 287 S HN 0.316 nan 8.310 nan 0.000 0.483 288 V N 3.378 122.998 119.914 -0.490 0.000 2.577 288 V HA 0.509 4.629 4.120 -0.000 0.000 0.303 288 V C -0.215 175.689 176.094 -0.317 0.000 1.042 288 V CA -0.795 61.258 62.300 -0.413 0.000 0.872 288 V CB 1.646 33.191 31.823 -0.463 0.000 0.998 288 V HN 1.057 nan 8.190 nan 0.000 0.423 289 E N 2.205 122.266 120.200 -0.231 0.000 2.242 289 E HA 0.517 4.867 4.350 -0.000 0.000 0.275 289 E C -0.043 176.454 176.600 -0.171 0.000 1.002 289 E CA -0.511 55.774 56.400 -0.192 0.000 0.841 289 E CB 1.431 31.046 29.700 -0.142 0.000 1.109 289 E HN 0.482 nan 8.360 nan 0.000 0.394 290 S N 0.289 115.891 115.700 -0.164 0.000 3.247 290 S HA -0.168 4.302 4.470 -0.000 0.000 0.341 290 S C 0.202 174.719 174.600 -0.138 0.000 0.924 290 S CA 0.495 58.612 58.200 -0.138 0.000 1.323 290 S CB -1.705 61.439 63.200 -0.094 0.000 0.918 290 S HN 0.633 nan 8.310 nan 0.000 0.523 294 D N -0.232 120.134 120.400 -0.058 0.000 2.837 294 D HA -0.180 4.460 4.640 -0.000 0.000 0.230 294 D C -0.903 175.342 176.300 -0.092 0.000 1.152 294 D CA 0.720 54.681 54.000 -0.065 0.000 0.736 294 D CB -0.689 40.085 40.800 -0.043 0.000 1.084 294 D HN 0.210 nan 8.370 nan 0.000 0.429 295 V N 0.970 120.803 119.914 -0.133 0.000 2.370 295 V HA 0.402 4.522 4.120 -0.000 0.000 0.283 295 V C -0.526 175.382 176.094 -0.310 0.000 1.023 295 V CA -0.691 61.484 62.300 -0.208 0.000 0.857 295 V CB 1.577 33.269 31.823 -0.218 0.000 0.985 295 V HN 0.083 nan 8.190 nan 0.000 0.443 296 D N 5.569 125.778 120.400 -0.318 0.000 2.225 296 D HA 0.378 5.018 4.640 -0.000 0.000 0.248 296 D C -0.015 175.936 176.300 -0.582 0.000 1.096 296 D CA 0.120 53.907 54.000 -0.356 0.000 0.863 296 D CB 1.936 42.604 40.800 -0.220 0.000 1.156 296 D HN 0.583 nan 8.370 nan 0.000 0.450 297 V N -0.254 119.256 119.914 -0.674 0.000 2.539 297 V HA 0.710 4.830 4.120 -0.000 0.000 0.292 297 V C 0.055 175.963 176.094 -0.310 0.000 1.045 297 V CA -0.461 61.352 62.300 -0.812 0.000 0.945 297 V CB 1.884 32.993 31.823 -1.190 0.000 0.993 297 V HN 0.405 nan 8.190 nan 0.000 0.464 298 S N 2.834 118.534 115.700 0.000 0.000 2.383 298 S HA 0.569 5.039 4.470 -0.000 0.000 0.196 298 S C -0.344 174.399 174.600 0.239 0.000 1.364 298 S CA -0.128 58.120 58.200 0.080 0.000 1.212 298 S CB 0.818 64.055 63.200 0.061 0.000 1.171 298 S HN 1.208 nan 8.310 nan 0.000 0.456 299 S N 2.502 118.386 115.700 0.306 0.000 2.788 299 S HA 0.840 5.310 4.470 -0.000 0.000 0.291 299 S C -1.138 173.676 174.600 0.357 0.000 1.061 299 S CA -0.407 58.041 58.200 0.413 0.000 0.923 299 S CB 1.240 64.837 63.200 0.662 0.000 1.339 299 S HN 0.839 nan 8.310 nan 0.000 0.591 300 Q N -0.381 119.674 119.800 0.425 0.000 2.687 300 Q HA 0.737 5.077 4.340 -0.000 0.000 0.295 300 Q C -2.153 174.070 176.000 0.372 0.000 0.920 300 Q CA -0.923 55.090 55.803 0.350 0.000 0.766 300 Q CB 1.236 30.103 28.738 0.215 0.000 1.467 300 Q HN 0.517 nan 8.270 nan 0.000 0.415 301 L N 1.131 122.502 121.223 0.247 0.000 2.505 301 L HA 0.676 5.016 4.340 -0.000 0.000 0.259 301 L C -1.235 175.669 176.870 0.057 0.000 0.952 301 L CA -0.004 54.904 54.840 0.112 0.000 0.840 301 L CB 2.623 44.727 42.059 0.076 0.000 1.358 301 L HN 0.954 nan 8.230 nan 0.000 0.409 302 S N 3.345 119.047 115.700 0.003 0.000 2.687 302 S HA 0.512 4.982 4.470 -0.000 0.000 0.283 302 S C 0.987 175.578 174.600 -0.015 0.000 1.170 302 S CA -0.265 57.937 58.200 0.003 0.000 1.008 302 S CB 1.632 64.830 63.200 -0.003 0.000 1.026 302 S HN 0.840 nan 8.310 nan 0.000 0.541 303 R N 0.592 121.092 120.500 0.001 0.000 2.073 303 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 303 R C 1.912 178.204 176.300 -0.013 0.000 1.134 303 R CA 1.805 57.907 56.100 0.004 0.000 0.952 303 R CB -0.466 29.843 30.300 0.014 0.000 0.850 303 R HN 0.839 nan 8.270 nan 0.000 0.433 304 E N 0.435 120.624 120.200 -0.019 0.000 2.097 304 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 304 E C 1.921 178.483 176.600 -0.063 0.000 1.000 304 E CA 1.736 58.117 56.400 -0.031 0.000 0.804 304 E CB -0.078 29.607 29.700 -0.026 0.000 0.740 304 E HN 0.562 nan 8.360 nan 0.000 0.454 305 E N 0.527 120.673 120.200 -0.090 0.000 2.047 305 E HA -0.175 4.174 4.350 -0.000 0.000 0.191 305 E C 2.204 178.680 176.600 -0.206 0.000 0.987 305 E CA 0.594 56.895 56.400 -0.164 0.000 0.799 305 E CB -0.145 29.430 29.700 -0.208 0.000 0.752 305 E HN 0.058 nan 8.360 nan 0.000 0.449 306 L N 1.833 122.961 121.223 -0.160 0.000 2.012 306 L HA -0.237 4.102 4.340 -0.000 0.000 0.210 306 L C 1.887 178.693 176.870 -0.107 0.000 1.073 306 L CA 1.938 56.700 54.840 -0.131 0.000 0.748 306 L CB -0.308 41.734 42.059 -0.028 0.000 0.891 306 L HN 0.037 nan 8.230 nan 0.000 0.431 307 E N -0.733 119.435 120.200 -0.054 0.000 2.085 307 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 307 E C 2.079 178.625 176.600 -0.091 0.000 0.994 307 E CA 1.338 57.714 56.400 -0.039 0.000 0.801 307 E CB -0.130 29.569 29.700 -0.003 0.000 0.743 307 E HN 0.551 nan 8.360 nan 0.000 0.453 308 E N 0.932 121.070 120.200 -0.103 0.000 2.118 308 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 308 E C 1.863 178.371 176.600 -0.153 0.000 0.992 308 E CA 1.021 57.352 56.400 -0.115 0.000 0.804 308 E CB -0.180 29.453 29.700 -0.112 0.000 0.741 308 E HN 0.229 nan 8.360 nan 0.000 0.458 309 L N -0.156 120.945 121.223 -0.202 0.000 2.083 309 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 309 L C 2.044 178.762 176.870 -0.254 0.000 1.083 309 L CA 1.251 55.952 54.840 -0.231 0.000 0.752 309 L CB -0.355 41.534 42.059 -0.282 0.000 0.899 309 L HN 0.204 nan 8.230 nan 0.000 0.433 310 V N -4.336 115.387 119.914 -0.317 0.000 3.421 310 V HA 0.069 4.189 4.120 -0.000 0.000 0.316 310 V C 1.921 177.840 176.094 -0.291 0.000 1.347 310 V CA -0.005 62.036 62.300 -0.431 0.000 1.183 310 V CB -0.225 31.078 31.823 -0.866 0.000 1.092 310 V HN 0.299 nan 8.190 nan 0.000 0.433 311 K N 1.711 121.998 120.400 -0.187 0.000 2.059 311 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 311 K C -0.312 176.233 176.600 -0.091 0.000 1.050 311 K CA 2.401 58.621 56.287 -0.111 0.000 0.927 311 K CB -1.057 31.390 32.500 -0.088 0.000 0.714 311 K HN 0.489 nan 8.250 nan 0.000 0.447 312 P HA -0.161 nan 4.420 nan 0.000 0.216 312 P C 1.218 178.475 177.300 -0.072 0.000 1.150 312 P CA 0.915 63.968 63.100 -0.078 0.000 0.837 312 P CB 0.064 31.710 31.700 -0.090 0.000 0.786 313 L N -1.119 120.017 121.223 -0.145 0.000 2.109 313 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 313 L C 2.005 178.873 176.870 -0.002 0.000 1.086 313 L CA 1.501 56.235 54.840 -0.175 0.000 0.760 313 L CB -1.032 40.747 42.059 -0.466 0.000 0.910 313 L HN -0.137 nan 8.230 nan 0.000 0.437 314 L N -0.722 120.497 121.223 -0.007 0.000 2.549 314 L HA -0.129 4.211 4.340 -0.000 0.000 0.229 314 L C 2.117 179.078 176.870 0.151 0.000 1.158 314 L CA 0.617 55.542 54.840 0.142 0.000 0.842 314 L CB -0.553 41.548 42.059 0.070 0.000 0.952 314 L HN 0.392 nan 8.230 nan 0.000 0.452 315 E N 0.114 120.375 120.200 0.101 0.000 2.274 315 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 315 E C 1.757 178.425 176.600 0.114 0.000 0.996 315 E CA 0.487 56.936 56.400 0.081 0.000 0.840 315 E CB 0.138 29.863 29.700 0.043 0.000 0.772 315 E HN 0.375 nan 8.360 nan 0.000 0.491 316 R N 0.514 121.130 120.500 0.194 0.000 2.359 316 R HA 0.076 4.416 4.340 -0.000 0.000 0.231 316 R C 1.858 178.300 176.300 0.237 0.000 0.913 316 R CA -0.142 56.083 56.100 0.209 0.000 1.075 316 R CB 0.438 30.907 30.300 0.282 0.000 1.087 316 R HN 0.009 nan 8.270 nan 0.000 0.515 317 V N 0.634 120.711 119.914 0.273 0.000 2.548 317 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 317 V C 2.002 178.191 176.094 0.158 0.000 1.055 317 V CA 2.457 64.909 62.300 0.255 0.000 1.065 317 V CB 0.132 32.118 31.823 0.271 0.000 0.681 317 V HN 0.477 nan 8.190 nan 0.000 0.462 318 T N -4.003 110.593 114.554 0.070 0.000 3.081 318 T HA 0.070 4.420 4.350 -0.000 0.000 0.250 318 T C 1.433 176.090 174.700 -0.071 0.000 1.100 318 T CA 0.744 62.840 62.100 -0.006 0.000 1.038 318 T CB -0.056 68.791 68.868 -0.034 0.000 0.962 318 T HN 0.601 nan 8.240 nan 0.000 0.516 319 E N 2.143 122.299 120.200 -0.073 0.000 2.031 319 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 319 E C -0.636 175.853 176.600 -0.185 0.000 0.994 319 E CA 1.383 57.716 56.400 -0.111 0.000 0.800 319 E CB -1.021 28.634 29.700 -0.075 0.000 0.752 319 E HN 0.447 nan 8.360 nan 0.000 0.447 320 P HA -0.160 nan 4.420 nan 0.000 0.217 320 P C 1.409 178.595 177.300 -0.190 0.000 1.148 320 P CA 1.013 63.900 63.100 -0.355 0.000 0.828 320 P CB 0.073 31.297 31.700 -0.793 0.000 0.783 321 V N -0.026 119.777 119.914 -0.186 0.000 2.244 321 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 321 V C 2.616 178.571 176.094 -0.232 0.000 1.042 321 V CA 2.756 64.903 62.300 -0.254 0.000 1.006 321 V CB -2.089 29.445 31.823 -0.482 0.000 0.641 321 V HN 0.270 nan 8.190 nan 0.000 0.446 322 T N -1.590 112.849 114.554 -0.191 0.000 2.833 322 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 322 T C 1.798 176.453 174.700 -0.075 0.000 1.054 322 T CA 1.426 63.450 62.100 -0.127 0.000 1.135 322 T CB -0.318 68.492 68.868 -0.096 0.000 0.869 322 T HN 0.432 nan 8.240 nan 0.000 0.466 323 K N 1.289 121.645 120.400 -0.073 0.000 2.062 323 K HA 0.189 4.509 4.320 -0.000 0.000 0.205 323 K C 2.877 179.465 176.600 -0.019 0.000 1.051 323 K CA 1.092 57.354 56.287 -0.042 0.000 0.941 323 K CB -0.459 32.013 32.500 -0.048 0.000 0.719 323 K HN 0.452 nan 8.250 nan 0.000 0.440 324 A N 1.824 124.635 122.820 -0.016 0.000 1.877 324 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 324 A C 2.186 179.796 177.584 0.043 0.000 1.186 324 A CA 1.215 53.269 52.037 0.028 0.000 0.620 324 A CB -0.752 18.289 19.000 0.068 0.000 0.822 324 A HN 0.146 nan 8.150 nan 0.000 0.443 325 L N -0.751 120.494 121.223 0.037 0.000 2.079 325 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 325 L C 3.089 179.975 176.870 0.027 0.000 1.081 325 L CA 1.177 56.043 54.840 0.045 0.000 0.752 325 L CB -0.546 41.522 42.059 0.015 0.000 0.896 325 L HN 0.474 nan 8.230 nan 0.000 0.433 326 A N -0.818 122.007 122.820 0.009 0.000 1.898 326 A HA -0.257 4.062 4.320 -0.000 0.000 0.216 326 A C 2.268 179.865 177.584 0.021 0.000 1.181 326 A CA 1.628 53.672 52.037 0.011 0.000 0.620 326 A CB -0.525 18.476 19.000 0.002 0.000 0.819 326 A HN 0.467 nan 8.150 nan 0.000 0.442 327 Q N -0.593 119.220 119.800 0.022 0.000 2.084 327 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 327 Q C 2.122 178.142 176.000 0.034 0.000 0.978 327 Q CA 1.402 57.222 55.803 0.027 0.000 0.844 327 Q CB -0.297 28.455 28.738 0.023 0.000 0.898 327 Q HN 0.605 nan 8.270 nan 0.000 0.426 328 A N 0.711 123.554 122.820 0.039 0.000 2.121 328 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 328 A C 0.492 178.099 177.584 0.038 0.000 1.154 328 A CA 1.001 53.064 52.037 0.043 0.000 0.679 328 A CB -0.153 18.881 19.000 0.056 0.000 0.795 328 A HN 0.476 nan 8.150 nan 0.000 0.458 329 K N -1.748 118.672 120.400 0.034 0.000 3.239 329 K HA -0.170 4.150 4.320 -0.000 0.000 0.270 329 K C -0.802 175.817 176.600 0.031 0.000 1.049 329 K CA 0.853 57.158 56.287 0.030 0.000 0.769 329 K CB -2.285 30.233 32.500 0.029 0.000 1.305 329 K HN 0.722 nan 8.250 nan 0.000 0.469 330 L N -4.146 117.097 121.223 0.034 0.000 2.479 330 L HA 0.683 5.023 4.340 -0.000 0.000 0.255 330 L C -0.152 176.741 176.870 0.038 0.000 1.026 330 L CA -0.959 53.903 54.840 0.037 0.000 0.842 330 L CB 1.960 44.045 42.059 0.044 0.000 1.444 330 L HN -0.112 nan 8.230 nan 0.000 0.409 331 S N -0.116 115.606 115.700 0.036 0.000 2.632 331 S HA 0.606 5.076 4.470 -0.000 0.000 0.271 331 S C 1.243 175.881 174.600 0.064 0.000 1.260 331 S CA -0.107 58.114 58.200 0.035 0.000 1.010 331 S CB 1.571 64.785 63.200 0.024 0.000 0.965 331 S HN 0.986 nan 8.310 nan 0.000 0.534 332 A N 1.688 124.548 122.820 0.068 0.000 1.978 332 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 332 A C 1.992 179.655 177.584 0.131 0.000 1.170 332 A CA 1.428 53.555 52.037 0.150 0.000 0.636 332 A CB -0.515 18.540 19.000 0.091 0.000 0.810 332 A HN 0.843 nan 8.150 nan 0.000 0.448 333 E N 0.463 120.700 120.200 0.061 0.000 2.274 333 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 333 E C 1.225 177.828 176.600 0.003 0.000 0.996 333 E CA 1.053 57.468 56.400 0.025 0.000 0.840 333 E CB -0.575 29.132 29.700 0.011 0.000 0.772 333 E HN 0.776 nan 8.360 nan 0.000 0.491 334 E N 0.876 121.087 120.200 0.020 0.000 2.482 334 E HA 0.042 4.392 4.350 -0.000 0.000 0.196 334 E C -0.012 176.585 176.600 -0.005 0.000 1.047 334 E CA -0.027 56.377 56.400 0.008 0.000 0.869 334 E CB 0.475 30.189 29.700 0.023 0.000 0.836 334 E HN -0.010 nan 8.360 nan 0.000 0.520 335 V N 1.999 121.912 119.914 -0.003 0.000 2.583 335 V HA -0.036 4.084 4.120 -0.000 0.000 0.287 335 V C 0.904 176.896 176.094 -0.170 0.000 1.051 335 V CA 0.080 62.344 62.300 -0.060 0.000 1.010 335 V CB 1.493 33.283 31.823 -0.055 0.000 0.988 335 V HN 0.109 nan 8.190 nan 0.000 0.478 336 D N 2.801 123.062 120.400 -0.232 0.000 2.202 336 D HA 0.109 4.749 4.640 -0.000 0.000 0.214 336 D C -0.027 175.765 176.300 -0.846 0.000 0.967 336 D CA 1.549 55.243 54.000 -0.510 0.000 0.871 336 D CB 0.358 40.919 40.800 -0.399 0.000 1.020 336 D HN 0.440 nan 8.370 nan 0.000 0.474 337 F N -0.235 119.599 119.950 -0.193 0.000 2.599 337 F HA 0.371 4.898 4.527 -0.000 0.000 0.311 337 F C -0.457 175.088 175.800 -0.424 0.000 1.076 337 F CA -1.144 56.703 58.000 -0.255 0.000 0.937 337 F CB 2.210 41.081 39.000 -0.215 0.000 1.282 337 F HN -0.430 nan 8.300 nan 0.000 0.460 338 V N 1.962 121.728 119.914 -0.246 0.000 2.378 338 V HA 0.382 4.502 4.120 -0.000 0.000 0.288 338 V C -0.549 175.354 176.094 -0.318 0.000 1.016 338 V CA -0.768 61.264 62.300 -0.446 0.000 0.840 338 V CB 1.360 32.857 31.823 -0.543 0.000 0.994 338 V HN 0.599 nan 8.190 nan 0.000 0.431 339 E N 5.004 124.932 120.200 -0.453 0.000 2.175 339 E HA 0.501 4.851 4.350 -0.000 0.000 0.278 339 E C -0.575 175.933 176.600 -0.153 0.000 0.969 339 E CA -0.428 55.778 56.400 -0.325 0.000 0.796 339 E CB 2.650 32.059 29.700 -0.484 0.000 1.104 339 E HN 0.747 nan 8.360 nan 0.000 0.395 340 I N 1.476 122.004 120.570 -0.070 0.000 2.359 340 I HA 0.567 4.737 4.170 -0.000 0.000 0.294 340 I C 0.289 176.410 176.117 0.008 0.000 0.987 340 I CA -0.815 60.477 61.300 -0.014 0.000 1.225 340 I CB 0.861 38.847 38.000 -0.024 0.000 1.366 340 I HN 0.388 nan 8.210 nan 0.000 0.466 341 I N 1.920 122.511 120.570 0.035 0.000 3.239 341 I HA 1.042 5.212 4.170 -0.000 0.000 0.314 341 I C 0.154 176.280 176.117 0.015 0.000 1.126 341 I CA -1.132 60.183 61.300 0.024 0.000 0.973 341 I CB 1.933 39.959 38.000 0.043 0.000 1.252 341 I HN 0.995 nan 8.210 nan 0.000 0.463 342 G N 0.594 109.398 108.800 0.007 0.000 2.721 342 G HA2 0.000 3.960 3.960 -0.000 0.000 0.686 342 G HA3 0.000 3.960 3.960 -0.000 0.000 0.686 342 G C 0.381 175.275 174.900 -0.010 0.000 1.236 342 G CA -0.304 44.801 45.100 0.008 0.000 0.786 342 G HN 1.441 nan 8.290 nan 0.000 0.616 343 G N -0.473 108.323 108.800 -0.007 0.000 2.443 343 G HA2 0.108 4.068 3.960 -0.000 0.000 0.219 343 G HA3 0.108 4.068 3.960 -0.000 0.000 0.219 343 G C 1.660 176.528 174.900 -0.052 0.000 1.131 343 G CA 2.101 47.188 45.100 -0.022 0.000 0.775 343 G HN 1.193 nan 8.290 nan 0.000 0.547 344 T N 0.999 115.517 114.554 -0.060 0.000 3.085 344 T HA -0.042 4.308 4.350 -0.000 0.000 0.263 344 T C 2.570 177.181 174.700 -0.149 0.000 1.127 344 T CA 1.461 63.481 62.100 -0.134 0.000 1.103 344 T CB -0.212 68.582 68.868 -0.124 0.000 0.921 344 T HN 0.532 nan 8.240 nan 0.000 0.510 345 T N 0.017 114.511 114.554 -0.101 0.000 3.163 345 T HA 0.059 4.409 4.350 -0.000 0.000 0.260 345 T C 1.700 176.353 174.700 -0.079 0.000 1.156 345 T CA 0.273 62.316 62.100 -0.095 0.000 1.072 345 T CB -0.251 68.576 68.868 -0.068 0.000 0.937 345 T HN 0.306 nan 8.240 nan 0.000 0.528 346 R N 0.395 120.845 120.500 -0.083 0.000 2.299 346 R HA 0.330 4.670 4.340 -0.000 0.000 0.197 346 R C 0.385 176.637 176.300 -0.080 0.000 0.971 346 R CA 0.125 56.184 56.100 -0.069 0.000 1.030 346 R CB -0.192 30.073 30.300 -0.059 0.000 0.932 346 R HN 0.470 nan 8.270 nan 0.000 0.477 347 I N 2.569 123.065 120.570 -0.123 0.000 2.517 347 I HA 0.029 4.199 4.170 -0.000 0.000 0.285 347 I C -1.557 174.528 176.117 -0.053 0.000 1.106 347 I CA -1.807 59.419 61.300 -0.123 0.000 1.402 347 I CB 1.020 38.865 38.000 -0.259 0.000 1.399 347 I HN -0.192 nan 8.210 nan 0.000 0.535 348 P HA -0.204 nan 4.420 nan 0.000 0.215 348 P C 1.739 179.051 177.300 0.019 0.000 1.157 348 P CA 1.379 64.479 63.100 0.000 0.000 0.874 348 P CB 0.155 31.859 31.700 0.006 0.000 0.790 349 T N -1.313 113.266 114.554 0.042 0.000 2.759 349 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 349 T C 1.655 176.397 174.700 0.070 0.000 1.042 349 T CA 1.130 63.270 62.100 0.066 0.000 1.140 349 T CB -0.808 68.119 68.868 0.099 0.000 0.864 349 T HN -0.065 nan 8.240 nan 0.000 0.455 350 L N -0.199 121.060 121.223 0.061 0.000 2.072 350 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 350 L C 2.835 179.705 176.870 -0.000 0.000 1.079 350 L CA 1.390 56.250 54.840 0.035 0.000 0.752 350 L CB -0.393 41.663 42.059 -0.004 0.000 0.906 350 L HN 0.204 nan 8.230 nan 0.000 0.436 351 K N -0.346 120.051 120.400 -0.004 0.000 2.057 351 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 351 K C 2.237 178.852 176.600 0.025 0.000 1.049 351 K CA 1.230 57.519 56.287 0.003 0.000 0.931 351 K CB -0.111 32.387 32.500 -0.004 0.000 0.714 351 K HN 0.258 nan 8.250 nan 0.000 0.440 352 Q N 0.174 119.991 119.800 0.028 0.000 2.119 352 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 352 Q C 2.068 178.093 176.000 0.042 0.000 0.972 352 Q CA 1.401 57.224 55.803 0.034 0.000 0.847 352 Q CB 0.143 28.900 28.738 0.031 0.000 0.903 352 Q HN 0.228 nan 8.270 nan 0.000 0.433 353 S N 0.469 116.197 115.700 0.046 0.000 2.371 353 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 353 S C 1.895 176.525 174.600 0.051 0.000 1.029 353 S CA 0.731 58.959 58.200 0.048 0.000 0.978 353 S CB -0.081 63.157 63.200 0.063 0.000 0.833 353 S HN 0.314 nan 8.310 nan 0.000 0.466 354 I N 0.705 121.315 120.570 0.066 0.000 2.252 354 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 354 I C 2.629 178.870 176.117 0.206 0.000 1.102 354 I CA 0.823 62.203 61.300 0.135 0.000 1.385 354 I CB -0.386 37.693 38.000 0.133 0.000 1.064 354 I HN 0.256 nan 8.210 nan 0.000 0.414 355 S N 0.584 116.364 115.700 0.133 0.000 2.354 355 S HA -0.236 4.234 4.470 -0.000 0.000 0.219 355 S C 1.966 176.635 174.600 0.116 0.000 1.035 355 S CA 1.710 59.984 58.200 0.123 0.000 1.037 355 S CB -0.238 63.002 63.200 0.067 0.000 0.956 355 S HN 0.398 nan 8.310 nan 0.000 0.428 356 E N 0.617 120.858 120.200 0.070 0.000 2.130 356 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 356 E C 2.312 178.928 176.600 0.027 0.000 0.998 356 E CA 1.070 57.497 56.400 0.044 0.000 0.806 356 E CB -0.316 29.401 29.700 0.028 0.000 0.738 356 E HN 0.604 nan 8.360 nan 0.000 0.459 357 A N 0.417 123.236 122.820 -0.000 0.000 1.933 357 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 357 A C 1.786 179.267 177.584 -0.172 0.000 1.175 357 A CA 1.218 53.186 52.037 -0.115 0.000 0.628 357 A CB -0.471 18.409 19.000 -0.201 0.000 0.814 357 A HN 0.170 nan 8.150 nan 0.000 0.444 358 F N -1.120 118.832 119.950 0.003 0.000 2.387 358 F HA 0.314 4.841 4.527 -0.000 0.000 0.294 358 F C 1.930 177.721 175.800 -0.015 0.000 1.093 358 F CA 0.719 58.715 58.000 -0.008 0.000 1.420 358 F CB -0.146 38.846 39.000 -0.013 0.000 1.086 358 F HN 0.371 nan 8.300 nan 0.000 0.531 359 G N 0.628 109.526 108.800 0.164 0.000 2.182 359 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.248 359 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.248 359 G C -0.056 174.887 174.900 0.072 0.000 1.042 359 G CA 0.408 45.560 45.100 0.087 0.000 0.775 359 G HN 0.623 nan 8.290 nan 0.000 0.501 360 K N 0.037 120.491 120.400 0.090 0.000 2.435 360 K HA 0.964 5.284 4.320 -0.000 0.000 0.251 360 K C -2.618 173.999 176.600 0.028 0.000 0.954 360 K CA -1.210 55.093 56.287 0.026 0.000 0.820 360 K CB 1.996 34.476 32.500 -0.033 0.000 1.292 360 K HN 0.215 nan 8.250 nan 0.000 0.436 361 P HA 0.329 nan 4.420 nan 0.000 0.274 361 P C -0.627 176.678 177.300 0.010 0.000 1.231 361 P CA -0.406 62.706 63.100 0.020 0.000 0.790 361 P CB 0.448 32.162 31.700 0.025 0.000 0.951 362 L N 1.433 122.659 121.223 0.005 0.000 2.305 362 L HA 0.257 4.597 4.340 -0.000 0.000 0.281 362 L C 0.876 177.733 176.870 -0.021 0.000 1.085 362 L CA -0.209 54.620 54.840 -0.018 0.000 0.813 362 L CB 0.568 42.619 42.059 -0.012 0.000 1.157 362 L HN 0.342 nan 8.230 nan 0.000 0.436 363 S N 0.999 116.672 115.700 -0.044 0.000 2.617 363 S HA 0.429 4.899 4.470 -0.000 0.000 0.283 363 S C 0.397 174.952 174.600 -0.075 0.000 1.189 363 S CA -0.412 57.754 58.200 -0.057 0.000 1.036 363 S CB 1.708 64.860 63.200 -0.080 0.000 1.014 363 S HN 0.644 nan 8.310 nan 0.000 0.522 364 T N 1.159 115.670 114.554 -0.073 0.000 3.748 364 T HA 0.153 4.502 4.350 -0.000 0.000 0.281 364 T C 0.956 175.606 174.700 -0.083 0.000 0.977 364 T CA -0.244 61.816 62.100 -0.066 0.000 1.056 364 T CB -0.251 68.588 68.868 -0.048 0.000 1.138 364 T HN 0.765 nan 8.240 nan 0.000 0.498 365 T N -0.702 113.787 114.554 -0.108 0.000 3.086 365 T HA 0.437 4.786 4.350 -0.000 0.000 0.250 365 T C 0.589 175.139 174.700 -0.251 0.000 1.074 365 T CA -0.201 61.810 62.100 -0.148 0.000 0.988 365 T CB -0.019 68.753 68.868 -0.160 0.000 0.988 365 T HN 0.287 nan 8.240 nan 0.000 0.530 366 L N 1.991 123.093 121.223 -0.201 0.000 2.360 366 L HA 0.458 4.798 4.340 -0.000 0.000 0.271 366 L C 0.515 177.282 176.870 -0.172 0.000 1.057 366 L CA -1.168 53.515 54.840 -0.261 0.000 0.803 366 L CB 0.834 42.815 42.059 -0.130 0.000 1.207 366 L HN 0.136 nan 8.230 nan 0.000 0.445 367 N N 1.899 120.495 118.700 -0.174 0.000 2.427 367 N HA -0.019 4.721 4.740 -0.000 0.000 0.269 367 N C 0.628 176.095 175.510 -0.072 0.000 1.235 367 N CA 0.255 53.248 53.050 -0.095 0.000 0.934 367 N CB 1.065 39.510 38.487 -0.070 0.000 1.121 367 N HN 0.671 nan 8.380 nan 0.000 0.480 368 Q N 2.247 122.017 119.800 -0.050 0.000 2.170 368 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 368 Q C 0.315 176.300 176.000 -0.025 0.000 0.976 368 Q CA 1.329 57.113 55.803 -0.032 0.000 0.858 368 Q CB 0.201 28.923 28.738 -0.026 0.000 0.907 368 Q HN 0.612 nan 8.270 nan 0.000 0.433 369 D N 0.434 120.819 120.400 -0.025 0.000 2.162 369 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 369 D C 1.256 177.545 176.300 -0.017 0.000 0.967 369 D CA 0.953 54.943 54.000 -0.016 0.000 0.840 369 D CB 0.127 40.919 40.800 -0.012 0.000 0.972 369 D HN 0.325 nan 8.370 nan 0.000 0.482 370 E N 0.260 120.445 120.200 -0.025 0.000 2.364 370 E HA 0.186 4.536 4.350 -0.000 0.000 0.196 370 E C 1.950 178.528 176.600 -0.036 0.000 0.990 370 E CA 0.248 56.635 56.400 -0.022 0.000 0.886 370 E CB 0.271 29.960 29.700 -0.018 0.000 0.866 370 E HN 0.098 nan 8.360 nan 0.000 0.493 371 A N 1.534 124.320 122.820 -0.056 0.000 1.948 371 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 371 A C 2.138 179.674 177.584 -0.081 0.000 1.177 371 A CA 1.205 53.194 52.037 -0.080 0.000 0.636 371 A CB -0.520 18.433 19.000 -0.079 0.000 0.815 371 A HN 0.149 nan 8.150 nan 0.000 0.449 372 I N -0.813 119.716 120.570 -0.069 0.000 2.277 372 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 372 I C 2.986 179.065 176.117 -0.062 0.000 1.094 372 I CA 0.848 62.100 61.300 -0.080 0.000 1.393 372 I CB -0.370 37.586 38.000 -0.074 0.000 1.078 372 I HN 0.347 nan 8.210 nan 0.000 0.417 373 A N 1.008 123.806 122.820 -0.036 0.000 1.883 373 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 373 A C 2.311 179.897 177.584 0.004 0.000 1.186 373 A CA 1.741 53.771 52.037 -0.012 0.000 0.624 373 A CB -0.505 18.506 19.000 0.019 0.000 0.822 373 A HN 0.303 nan 8.150 nan 0.000 0.444 374 K N -0.982 119.419 120.400 0.002 0.000 2.063 374 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 374 K C 2.147 178.764 176.600 0.027 0.000 1.048 374 K CA 1.170 57.470 56.287 0.022 0.000 0.928 374 K CB -0.476 32.027 32.500 0.005 0.000 0.713 374 K HN 0.489 nan 8.250 nan 0.000 0.442 375 G N 1.068 109.850 108.800 -0.030 0.000 2.418 375 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 375 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 375 G C 1.612 176.521 174.900 0.015 0.000 1.158 375 G CA 0.907 45.978 45.100 -0.048 0.000 0.771 375 G HN 0.356 nan 8.290 nan 0.000 0.545 376 A N 0.953 123.763 122.820 -0.017 0.000 1.969 376 A HA 0.339 4.659 4.320 -0.000 0.000 0.218 376 A C 2.733 180.323 177.584 0.011 0.000 1.169 376 A CA 2.065 54.090 52.037 -0.021 0.000 0.635 376 A CB -0.536 18.416 19.000 -0.079 0.000 0.810 376 A HN 0.687 nan 8.150 nan 0.000 0.445 377 A N -1.281 121.566 122.820 0.045 0.000 1.897 377 A HA 0.074 4.394 4.320 -0.000 0.000 0.215 377 A C 1.988 179.634 177.584 0.103 0.000 1.181 377 A CA 1.302 53.384 52.037 0.075 0.000 0.620 377 A CB -0.660 18.401 19.000 0.102 0.000 0.821 377 A HN 0.602 nan 8.150 nan 0.000 0.443 378 F N 0.933 120.889 119.950 0.010 0.000 2.095 378 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 378 F C 1.952 177.796 175.800 0.075 0.000 1.104 378 F CA 1.976 59.990 58.000 0.024 0.000 1.232 378 F CB -0.230 38.757 39.000 -0.023 0.000 0.987 378 F HN 0.181 nan 8.300 nan 0.000 0.475 379 I N -0.852 119.835 120.570 0.194 0.000 2.286 379 I HA -0.342 3.828 4.170 -0.000 0.000 0.248 379 I C 2.774 179.002 176.117 0.185 0.000 1.115 379 I CA 1.184 62.617 61.300 0.222 0.000 1.392 379 I CB -0.814 37.352 38.000 0.277 0.000 1.065 379 I HN 0.369 nan 8.210 nan 0.000 0.418 380 C N 0.999 120.352 119.300 0.089 0.000 2.411 380 C HA -0.136 4.324 4.460 -0.000 0.000 0.279 380 C C 3.115 178.135 174.990 0.051 0.000 1.288 380 C CA 1.089 60.145 59.018 0.062 0.000 1.764 380 C CB -1.028 26.717 27.740 0.007 0.000 1.974 380 C HN 0.569 nan 8.230 nan 0.000 0.498 381 A N 0.043 122.832 122.820 -0.053 0.000 1.930 381 A HA 0.030 4.350 4.320 -0.000 0.000 0.215 381 A C 2.012 179.490 177.584 -0.178 0.000 1.176 381 A CA 1.415 53.374 52.037 -0.129 0.000 0.632 381 A CB -0.633 18.242 19.000 -0.209 0.000 0.819 381 A HN 0.618 nan 8.150 nan 0.000 0.445 382 I N -0.461 119.953 120.570 -0.258 0.000 2.185 382 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 382 I C 1.885 177.890 176.117 -0.187 0.000 1.088 382 I CA 1.455 62.622 61.300 -0.222 0.000 1.347 382 I CB -0.487 37.416 38.000 -0.162 0.000 1.041 382 I HN 0.443 nan 8.210 nan 0.000 0.415 383 H N -0.533 118.506 119.070 -0.052 0.000 2.547 383 H HA 0.155 4.711 4.556 -0.000 0.000 0.266 383 H C 1.111 176.423 175.328 -0.027 0.000 0.988 383 H CA -0.006 56.025 56.048 -0.027 0.000 1.147 383 H CB 0.201 29.956 29.762 -0.011 0.000 1.365 383 H HN 0.165 nan 8.280 nan 0.000 0.589 384 S N 2.662 118.387 115.700 0.043 0.000 2.505 384 S HA 0.053 4.523 4.470 -0.000 0.000 0.276 384 S C -0.880 173.723 174.600 0.006 0.000 1.274 384 S CA -1.405 56.807 58.200 0.021 0.000 1.053 384 S CB 1.129 64.327 63.200 -0.004 0.000 0.919 384 S HN 0.195 nan 8.310 nan 0.000 0.490 385 P HA -0.064 nan 4.420 nan 0.000 0.220 385 P C 1.111 178.411 177.300 -0.000 0.000 1.148 385 P CA 1.386 64.490 63.100 0.008 0.000 0.803 385 P CB -0.099 31.609 31.700 0.013 0.000 0.782 386 T N -3.572 110.981 114.554 -0.001 0.000 3.138 386 T HA 0.242 4.592 4.350 -0.000 0.000 0.245 386 T C 1.310 176.006 174.700 -0.007 0.000 0.982 386 T CA 0.274 62.373 62.100 -0.002 0.000 1.134 386 T CB -1.267 67.601 68.868 0.001 0.000 1.032 386 T HN 0.017 nan 8.240 nan 0.000 0.442 387 L N 2.975 124.192 121.223 -0.010 0.000 2.638 387 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 387 L C 0.649 177.504 176.870 -0.026 0.000 1.147 387 L CA -0.150 54.681 54.840 -0.015 0.000 0.941 387 L CB -1.610 40.438 42.059 -0.018 0.000 1.251 387 L HN 0.391 nan 8.230 nan 0.000 0.479 388 R N 3.194 123.686 120.500 -0.014 0.000 2.248 388 R HA 0.615 4.955 4.340 -0.000 0.000 0.328 388 R C -0.472 175.826 176.300 -0.003 0.000 1.067 388 R CA -0.159 55.935 56.100 -0.010 0.000 0.924 388 R CB 1.397 31.698 30.300 0.002 0.000 1.013 388 R HN 0.689 nan 8.270 nan 0.000 0.454 389 V N 2.696 122.600 119.914 -0.015 0.000 2.667 389 V HA 0.459 4.579 4.120 -0.000 0.000 0.308 389 V C 0.306 176.464 176.094 0.106 0.000 1.048 389 V CA -0.688 61.613 62.300 0.002 0.000 0.928 389 V CB 1.730 33.432 31.823 -0.201 0.000 1.004 389 V HN 0.869 nan 8.190 nan 0.000 0.444 390 R N 5.697 126.327 120.500 0.217 0.000 2.413 390 R HA 0.330 4.670 4.340 -0.000 0.000 0.333 390 R C -2.319 174.191 176.300 0.350 0.000 1.074 390 R CA -1.130 55.111 56.100 0.235 0.000 0.982 390 R CB -1.281 29.144 30.300 0.210 0.000 0.981 390 R HN 0.649 nan 8.270 nan 0.000 0.452 391 P HA 0.088 nan 4.420 nan 0.000 0.264 391 P C -1.081 176.453 177.300 0.391 0.000 1.193 391 P CA 0.072 63.334 63.100 0.270 0.000 0.763 391 P CB 0.314 32.092 31.700 0.130 0.000 0.810 392 F N 3.664 123.819 119.950 0.342 0.000 2.536 392 F HA 0.368 4.895 4.527 -0.000 0.000 0.322 392 F C 0.153 176.145 175.800 0.320 0.000 1.144 392 F CA -1.004 57.176 58.000 0.301 0.000 0.924 392 F CB 1.739 40.897 39.000 0.263 0.000 1.181 392 F HN 0.182 nan 8.300 nan 0.000 0.438 393 K N 5.109 125.396 120.400 -0.189 0.000 2.098 393 K HA 0.787 5.107 4.320 -0.000 0.000 0.258 393 K C -1.536 175.006 176.600 -0.097 0.000 0.973 393 K CA -0.449 55.764 56.287 -0.124 0.000 0.898 393 K CB 1.610 34.004 32.500 -0.176 0.000 1.057 393 K HN 0.535 nan 8.250 nan 0.000 0.447 394 F N -1.922 117.953 119.950 -0.125 0.000 2.641 394 F HA 0.503 5.030 4.527 -0.000 0.000 0.308 394 F C -1.224 174.490 175.800 -0.143 0.000 1.105 394 F CA -1.085 56.842 58.000 -0.122 0.000 0.964 394 F CB 1.793 40.810 39.000 0.029 0.000 1.294 394 F HN 0.525 nan 8.300 nan 0.000 0.442 395 E N 1.518 121.655 120.200 -0.105 0.000 2.227 395 E HA 0.360 4.710 4.350 -0.000 0.000 0.268 395 E C -1.678 174.798 176.600 -0.206 0.000 0.907 395 E CA -0.977 55.285 56.400 -0.230 0.000 0.786 395 E CB 2.278 31.866 29.700 -0.186 0.000 1.191 395 E HN 0.607 nan 8.360 nan 0.000 0.411 396 D N 1.393 121.507 120.400 -0.476 0.000 2.374 396 D HA 0.357 4.997 4.640 -0.000 0.000 0.239 396 D C -1.050 175.030 176.300 -0.367 0.000 0.991 396 D CA -0.765 52.963 54.000 -0.453 0.000 0.960 396 D CB 1.618 42.054 40.800 -0.607 0.000 1.284 396 D HN 0.309 nan 8.370 nan 0.000 0.512 397 I N 1.752 122.279 120.570 -0.072 0.000 2.441 397 I HA 0.052 4.222 4.170 -0.000 0.000 0.287 397 I C -0.083 176.216 176.117 0.302 0.000 1.049 397 I CA -0.145 61.208 61.300 0.089 0.000 1.381 397 I CB 0.526 38.559 38.000 0.054 0.000 1.409 397 I HN 0.278 nan 8.210 nan 0.000 0.523 398 H N 9.529 128.738 119.070 0.232 0.000 2.628 398 H HA 0.362 4.918 4.556 -0.000 0.000 0.250 398 H C -2.175 173.224 175.328 0.118 0.000 1.442 398 H CA -2.221 53.992 56.048 0.275 0.000 1.282 398 H CB 0.909 30.871 29.762 0.333 0.000 1.487 398 H HN 0.464 nan 8.280 nan 0.000 0.544 399 P HA -0.024 nan 4.420 nan 0.000 0.231 399 P C -0.478 176.657 177.300 -0.274 0.000 1.168 399 P CA 0.608 63.540 63.100 -0.280 0.000 0.779 399 P CB 0.185 31.563 31.700 -0.535 0.000 0.844 400 Y N -0.671 119.677 120.300 0.080 0.000 2.377 400 Y HA 0.391 4.941 4.550 -0.000 0.000 0.339 400 Y C 1.135 177.223 175.900 0.313 0.000 1.011 400 Y CA -1.357 56.834 58.100 0.152 0.000 1.093 400 Y CB 1.314 39.843 38.460 0.116 0.000 1.201 400 Y HN -0.283 nan 8.280 nan 0.000 0.455 401 S N 2.255 118.236 115.700 0.467 0.000 2.516 401 S HA 0.286 4.756 4.470 -0.000 0.000 0.282 401 S C -0.642 174.220 174.600 0.437 0.000 1.286 401 S CA -0.451 58.001 58.200 0.420 0.000 1.066 401 S CB -0.203 63.171 63.200 0.289 0.000 0.884 401 S HN 0.451 nan 8.310 nan 0.000 0.491 402 V N 5.081 125.268 119.914 0.454 0.000 2.448 402 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 402 V C 0.072 176.321 176.094 0.257 0.000 1.025 402 V CA -0.585 61.891 62.300 0.292 0.000 0.859 402 V CB 1.792 33.752 31.823 0.227 0.000 0.988 402 V HN 0.857 nan 8.190 nan 0.000 0.431 403 S N 4.106 119.902 115.700 0.160 0.000 2.536 403 S HA 0.796 5.265 4.470 -0.000 0.000 0.298 403 S C -1.503 173.226 174.600 0.216 0.000 1.083 403 S CA -0.386 57.935 58.200 0.202 0.000 0.995 403 S CB 1.138 64.429 63.200 0.152 0.000 1.058 403 S HN 0.451 nan 8.310 nan 0.000 0.488 404 Y N 1.616 121.972 120.300 0.093 0.000 2.446 404 Y HA 0.623 5.173 4.550 -0.000 0.000 0.338 404 Y C 0.730 176.704 175.900 0.124 0.000 1.055 404 Y CA -0.569 57.633 58.100 0.170 0.000 1.101 404 Y CB 2.033 40.627 38.460 0.225 0.000 1.221 404 Y HN 0.784 nan 8.280 nan 0.000 0.460 405 S N 1.340 117.196 115.700 0.260 0.000 2.632 405 S HA 0.872 5.342 4.470 -0.000 0.000 0.289 405 S C -1.447 173.315 174.600 0.270 0.000 1.115 405 S CA -0.712 57.478 58.200 -0.017 0.000 0.889 405 S CB 1.921 65.079 63.200 -0.071 0.000 1.116 405 S HN 0.751 nan 8.310 nan 0.000 0.486 406 W N -0.535 120.890 121.300 0.209 0.000 3.003 406 W HA 0.673 5.333 4.660 -0.000 0.000 0.362 406 W C -1.856 174.771 176.519 0.181 0.000 1.213 406 W CA -0.845 56.644 57.345 0.239 0.000 1.157 406 W CB -0.319 29.301 29.460 0.267 0.000 1.493 406 W HN 0.410 nan 8.180 nan 0.000 0.589 407 D N 1.808 122.505 120.400 0.495 0.000 2.383 407 D HA 0.043 4.683 4.640 -0.000 0.000 0.252 407 D C 1.120 177.631 176.300 0.352 0.000 1.166 407 D CA -0.128 54.058 54.000 0.311 0.000 0.879 407 D CB 1.742 42.712 40.800 0.283 0.000 1.164 407 D HN 0.533 nan 8.370 nan 0.000 0.462 408 K N 2.867 123.383 120.400 0.194 0.000 2.034 408 K HA -0.286 4.034 4.320 -0.000 0.000 0.214 408 K C 0.643 177.354 176.600 0.184 0.000 1.051 408 K CA 1.787 58.183 56.287 0.181 0.000 0.931 408 K CB 0.111 32.663 32.500 0.087 0.000 0.715 408 K HN 0.558 nan 8.250 nan 0.000 0.446 409 Q N -2.223 117.649 119.800 0.121 0.000 1.932 409 Q HA -0.269 4.071 4.340 -0.000 0.000 0.407 409 Q C 1.104 177.132 176.000 0.047 0.000 0.787 409 Q CA 2.334 58.178 55.803 0.069 0.000 0.852 409 Q CB -1.513 27.247 28.738 0.037 0.000 3.472 409 Q HN 0.348 nan 8.270 nan 0.000 0.793 410 V N -1.417 118.505 119.914 0.014 0.000 3.646 410 V HA 0.160 4.280 4.120 -0.000 0.000 0.277 410 V C 0.589 176.691 176.094 0.014 0.000 1.274 410 V CA 0.595 62.897 62.300 0.004 0.000 1.164 410 V CB -0.049 31.761 31.823 -0.022 0.000 0.926 410 V HN 0.252 nan 8.190 nan 0.000 0.442 411 E N 1.462 121.695 120.200 0.055 0.000 2.319 411 E HA 0.187 4.537 4.350 -0.000 0.000 0.268 411 E C 0.361 177.024 176.600 0.105 0.000 1.050 411 E CA -0.132 56.326 56.400 0.096 0.000 0.878 411 E CB 1.362 31.198 29.700 0.227 0.000 1.066 411 E HN 0.346 nan 8.360 nan 0.000 0.406 412 D N 0.926 121.378 120.400 0.087 0.000 2.149 412 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 412 D C -0.038 176.301 176.300 0.065 0.000 0.972 412 D CA 1.204 55.241 54.000 0.062 0.000 0.835 412 D CB 0.551 41.374 40.800 0.039 0.000 0.966 412 D HN 0.299 nan 8.370 nan 0.000 0.476 413 E N 0.835 121.103 120.200 0.113 0.000 2.244 413 E HA 0.109 4.459 4.350 -0.000 0.000 0.266 413 E C 0.313 176.917 176.600 0.007 0.000 0.914 413 E CA -0.321 56.091 56.400 0.021 0.000 0.794 413 E CB 1.764 31.421 29.700 -0.071 0.000 1.210 413 E HN 0.106 nan 8.360 nan 0.000 0.414 414 D N 0.047 120.291 120.400 -0.259 0.000 2.379 414 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 414 D C 0.597 176.206 176.300 -1.152 0.000 1.065 414 D CA 0.338 53.980 54.000 -0.597 0.000 0.848 414 D CB 0.483 41.164 40.800 -0.198 0.000 0.949 414 D HN 0.523 nan 8.370 nan 0.000 0.509 418 V N 3.912 123.794 119.914 -0.052 0.000 3.048 418 V HA 0.288 4.408 4.120 -0.000 0.000 0.241 418 V C 0.239 175.980 176.094 -0.588 0.000 1.129 418 V CA 0.623 62.678 62.300 -0.409 0.000 1.128 418 V CB 0.279 31.686 31.823 -0.694 0.000 0.849 418 V HN 0.491 nan 8.190 nan 0.000 0.475 419 F N 2.631 122.661 119.950 0.134 0.000 2.552 419 F HA 0.489 5.016 4.527 -0.000 0.000 0.369 419 F C -2.441 173.426 175.800 0.111 0.000 1.112 419 F CA -2.408 55.609 58.000 0.028 0.000 1.129 419 F CB 1.335 40.292 39.000 -0.072 0.000 1.360 419 F HN 0.009 nan 8.300 nan 0.000 0.473 420 P HA 0.036 nan 4.420 nan 0.000 0.271 420 P C -0.388 177.113 177.300 0.335 0.000 1.233 420 P CA -0.301 62.946 63.100 0.246 0.000 0.789 420 P CB 0.801 32.598 31.700 0.162 0.000 0.951 421 A N 0.902 123.897 122.820 0.292 0.000 2.438 421 A HA 0.465 4.785 4.320 -0.000 0.000 0.280 421 A C 1.348 179.057 177.584 0.209 0.000 1.160 421 A CA 0.548 52.752 52.037 0.278 0.000 0.821 421 A CB -1.629 17.503 19.000 0.220 0.000 1.101 421 A HN 0.855 nan 8.150 nan 0.000 0.515 422 G N 2.027 110.960 108.800 0.222 0.000 2.159 422 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.227 422 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.227 422 G C 0.646 175.639 174.900 0.155 0.000 0.986 422 G CA 0.674 45.866 45.100 0.152 0.000 0.651 422 G HN 1.953 nan 8.290 nan 0.000 0.523 423 S N -0.386 115.434 115.700 0.201 0.000 2.633 423 S HA 0.779 5.248 4.470 -0.000 0.000 0.257 423 S C 0.594 175.296 174.600 0.170 0.000 1.265 423 S CA 0.714 59.004 58.200 0.150 0.000 0.980 423 S CB 1.432 64.708 63.200 0.126 0.000 1.017 423 S HN 0.996 nan 8.310 nan 0.000 0.577 424 S N 0.003 115.767 115.700 0.107 0.000 2.689 424 S HA 0.824 5.294 4.470 -0.000 0.000 0.306 424 S C -0.782 173.882 174.600 0.106 0.000 1.104 424 S CA -0.757 57.485 58.200 0.071 0.000 0.973 424 S CB 0.955 64.135 63.200 -0.034 0.000 1.121 424 S HN 0.834 nan 8.310 nan 0.000 0.523 425 F N -0.617 119.329 119.950 -0.006 0.000 2.613 425 F HA 0.756 5.283 4.527 -0.000 0.000 0.310 425 F C -3.174 172.574 175.800 -0.086 0.000 1.085 425 F CA -2.725 55.234 58.000 -0.068 0.000 0.945 425 F CB 0.798 39.771 39.000 -0.045 0.000 1.298 425 F HN 0.265 nan 8.300 nan 0.000 0.455 426 P HA 0.169 nan 4.420 nan 0.000 0.268 426 P C -0.906 176.400 177.300 0.009 0.000 1.205 426 P CA 0.027 63.189 63.100 0.104 0.000 0.771 426 P CB 1.686 33.402 31.700 0.026 0.000 0.858 427 S N 0.738 116.411 115.700 -0.045 0.000 2.541 427 S HA 0.587 5.057 4.470 -0.000 0.000 0.280 427 S C -1.119 173.523 174.600 0.070 0.000 1.112 427 S CA -0.389 57.806 58.200 -0.008 0.000 0.925 427 S CB 1.064 64.258 63.200 -0.009 0.000 1.067 427 S HN 0.380 nan 8.310 nan 0.000 0.479 428 T N 3.671 118.311 114.554 0.144 0.000 2.840 428 T HA 0.453 4.803 4.350 -0.000 0.000 0.287 428 T C -0.933 173.855 174.700 0.146 0.000 0.991 428 T CA -0.611 61.586 62.100 0.161 0.000 0.964 428 T CB 1.236 70.141 68.868 0.062 0.000 0.954 428 T HN 0.521 nan 8.240 nan 0.000 0.438 429 K N 3.700 124.173 120.400 0.121 0.000 2.323 429 K HA 0.603 4.923 4.320 -0.000 0.000 0.259 429 K C -1.152 175.380 176.600 -0.112 0.000 0.947 429 K CA -0.793 55.465 56.287 -0.048 0.000 0.819 429 K CB 0.773 33.149 32.500 -0.207 0.000 1.109 429 K HN 0.489 nan 8.250 nan 0.000 0.429 430 L N 7.091 128.257 121.223 -0.095 0.000 2.265 430 L HA 0.488 4.828 4.340 -0.000 0.000 0.289 430 L C 0.065 176.857 176.870 -0.129 0.000 1.033 430 L CA -0.824 53.952 54.840 -0.106 0.000 0.814 430 L CB 0.615 42.630 42.059 -0.073 0.000 1.203 430 L HN 0.597 nan 8.230 nan 0.000 0.423 431 I N -0.129 120.341 120.570 -0.167 0.000 2.648 431 I HA 0.777 4.947 4.170 -0.000 0.000 0.304 431 I C -0.241 175.758 176.117 -0.196 0.000 1.009 431 I CA -0.345 60.842 61.300 -0.189 0.000 1.114 431 I CB 2.360 40.215 38.000 -0.241 0.000 1.293 431 I HN 0.482 nan 8.210 nan 0.000 0.449 432 T N 5.933 120.363 114.554 -0.206 0.000 2.848 432 T HA 0.658 5.008 4.350 -0.000 0.000 0.285 432 T C -1.126 173.407 174.700 -0.279 0.000 0.995 432 T CA -0.557 61.421 62.100 -0.202 0.000 0.970 432 T CB 1.011 69.794 68.868 -0.140 0.000 0.976 432 T HN 0.615 nan 8.240 nan 0.000 0.441 433 L N 4.864 125.896 121.223 -0.320 0.000 2.409 433 L HA 0.509 4.849 4.340 -0.000 0.000 0.272 433 L C 0.014 176.678 176.870 -0.343 0.000 0.980 433 L CA -1.121 53.463 54.840 -0.426 0.000 0.826 433 L CB 2.038 43.685 42.059 -0.686 0.000 1.268 433 L HN 0.640 nan 8.230 nan 0.000 0.407 434 N N 2.994 121.532 118.700 -0.270 0.000 2.452 434 N HA 0.271 5.011 4.740 -0.000 0.000 0.266 434 N C -0.481 174.878 175.510 -0.252 0.000 1.175 434 N CA -0.186 52.739 53.050 -0.208 0.000 0.945 434 N CB 1.293 39.699 38.487 -0.134 0.000 1.063 434 N HN 0.401 nan 8.380 nan 0.000 0.472 435 R N -0.253 120.100 120.500 -0.245 0.000 2.750 435 R HA 0.321 4.661 4.340 -0.000 0.000 0.281 435 R C 0.897 177.118 176.300 -0.131 0.000 0.972 435 R CA -0.573 55.361 56.100 -0.276 0.000 0.912 435 R CB 1.076 31.102 30.300 -0.456 0.000 1.187 435 R HN 0.556 nan 8.270 nan 0.000 0.464 436 T N -1.973 112.532 114.554 -0.082 0.000 3.069 436 T HA 0.461 4.811 4.350 -0.000 0.000 0.252 436 T C 0.771 175.478 174.700 0.012 0.000 1.053 436 T CA 0.286 62.372 62.100 -0.024 0.000 0.964 436 T CB 0.427 69.290 68.868 -0.008 0.000 1.005 436 T HN 0.636 nan 8.240 nan 0.000 0.532 437 G N 0.537 109.358 108.800 0.036 0.000 2.399 437 G HA2 0.358 4.317 3.960 -0.000 0.000 0.256 437 G HA3 0.358 4.317 3.960 -0.000 0.000 0.256 437 G C -2.181 172.829 174.900 0.184 0.000 1.236 437 G CA -0.875 44.276 45.100 0.086 0.000 0.914 437 G HN 0.134 nan 8.290 nan 0.000 0.482 438 D N 0.670 121.178 120.400 0.180 0.000 2.443 438 D HA 0.546 5.186 4.640 -0.000 0.000 0.239 438 D C -0.116 176.381 176.300 0.328 0.000 1.136 438 D CA 0.890 55.025 54.000 0.224 0.000 0.879 438 D CB 0.657 41.526 40.800 0.115 0.000 1.195 438 D HN 0.556 nan 8.370 nan 0.000 0.443 439 F N -1.488 118.503 119.950 0.068 0.000 2.631 439 F HA 0.581 5.108 4.527 -0.000 0.000 0.308 439 F C -0.420 175.454 175.800 0.125 0.000 1.097 439 F CA -1.238 56.818 58.000 0.093 0.000 0.952 439 F CB 0.596 39.654 39.000 0.096 0.000 1.307 439 F HN 0.217 nan 8.300 nan 0.000 0.450 443 A N 0.817 123.608 122.820 -0.047 0.000 2.350 443 A HA 1.012 5.332 4.320 -0.000 0.000 0.324 443 A C 0.048 177.446 177.584 -0.310 0.000 1.118 443 A CA 0.179 51.991 52.037 -0.374 0.000 0.783 443 A CB 1.110 19.696 19.000 -0.690 0.000 1.236 443 A HN 2.506 nan 8.150 nan 0.000 0.457 444 S N -0.015 115.501 115.700 -0.307 0.000 2.611 444 S HA 0.625 5.095 4.470 -0.000 0.000 0.268 444 S C -1.295 173.135 174.600 -0.284 0.000 1.156 444 S CA -0.761 57.248 58.200 -0.319 0.000 0.817 444 S CB 0.184 63.293 63.200 -0.152 0.000 1.122 444 S HN 0.541 nan 8.310 nan 0.000 0.466 445 Y N 1.287 121.583 120.300 -0.007 0.000 2.377 445 Y HA 0.290 4.840 4.550 -0.000 0.000 0.330 445 Y C 2.106 178.023 175.900 0.028 0.000 1.108 445 Y CA -0.131 57.982 58.100 0.022 0.000 1.308 445 Y CB 0.630 39.084 38.460 -0.011 0.000 1.216 445 Y HN 0.803 nan 8.280 nan 0.000 0.518 446 T N 0.503 115.183 114.554 0.210 0.000 2.746 446 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 446 T C 0.264 175.035 174.700 0.118 0.000 1.039 446 T CA 1.563 63.749 62.100 0.143 0.000 1.142 446 T CB -0.134 68.830 68.868 0.160 0.000 0.866 446 T HN 0.498 nan 8.240 nan 0.000 0.444 447 D N -0.040 120.442 120.400 0.137 0.000 2.378 447 D HA 0.242 4.882 4.640 -0.000 0.000 0.265 447 D C 0.429 176.761 176.300 0.054 0.000 1.229 447 D CA -0.520 53.533 54.000 0.088 0.000 0.914 447 D CB 0.185 41.040 40.800 0.092 0.000 1.140 447 D HN -0.071 nan 8.370 nan 0.000 0.516 448 I N 2.413 123.005 120.570 0.037 0.000 2.953 448 I HA -0.169 4.001 4.170 -0.000 0.000 0.271 448 I C 2.045 178.124 176.117 -0.063 0.000 1.286 448 I CA 1.556 62.843 61.300 -0.022 0.000 1.449 448 I CB -0.130 37.875 38.000 0.008 0.000 1.086 448 I HN 0.470 nan 8.210 nan 0.000 0.483 449 T N -2.061 112.478 114.554 -0.025 0.000 3.067 449 T HA -0.135 4.215 4.350 -0.000 0.000 0.261 449 T C 1.572 176.261 174.700 -0.020 0.000 1.110 449 T CA 0.763 62.851 62.100 -0.021 0.000 1.113 449 T CB -0.384 68.485 68.868 0.001 0.000 0.917 449 T HN 0.667 nan 8.240 nan 0.000 0.499 450 Q N 0.295 120.089 119.800 -0.011 0.000 2.444 450 Q HA 0.316 4.656 4.340 -0.000 0.000 0.206 450 Q C 0.236 176.214 176.000 -0.035 0.000 0.948 450 Q CA -0.038 55.788 55.803 0.038 0.000 0.946 450 Q CB -0.346 28.470 28.738 0.129 0.000 1.027 450 Q HN 0.414 nan 8.270 nan 0.000 0.513 451 L N 2.530 123.611 121.223 -0.236 0.000 2.344 451 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 451 L C -2.070 174.659 176.870 -0.235 0.000 1.035 451 L CA -2.582 51.972 54.840 -0.477 0.000 0.807 451 L CB 0.935 42.547 42.059 -0.745 0.000 1.237 451 L HN 0.029 nan 8.230 nan 0.000 0.442 452 P HA 0.046 nan 4.420 nan 0.000 0.266 452 P C -2.572 174.689 177.300 -0.066 0.000 1.186 452 P CA -0.823 62.240 63.100 -0.062 0.000 0.767 452 P CB -0.509 31.186 31.700 -0.009 0.000 0.820 453 P HA -0.015 nan 4.420 nan 0.000 0.266 453 P C -0.028 177.234 177.300 -0.063 0.000 1.193 453 P CA 0.461 63.534 63.100 -0.045 0.000 0.770 453 P CB -0.209 31.471 31.700 -0.032 0.000 0.836 454 N N -2.178 116.476 118.700 -0.076 0.000 2.782 454 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 454 N C -0.745 174.740 175.510 -0.041 0.000 1.101 454 N CA 0.836 53.837 53.050 -0.081 0.000 0.764 454 N CB -2.116 36.269 38.487 -0.170 0.000 1.122 454 N HN 0.373 nan 8.380 nan 0.000 0.561 455 T N 1.779 116.304 114.554 -0.048 0.000 2.794 455 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 455 T C -1.977 172.735 174.700 0.020 0.000 0.949 455 T CA -0.762 61.316 62.100 -0.035 0.000 1.101 455 T CB 0.887 69.657 68.868 -0.163 0.000 0.905 455 T HN -0.048 nan 8.240 nan 0.000 0.516 456 P HA 0.174 nan 4.420 nan 0.000 0.269 456 P C 0.867 178.275 177.300 0.180 0.000 1.215 456 P CA -0.289 62.883 63.100 0.119 0.000 0.780 456 P CB 0.797 32.595 31.700 0.163 0.000 0.898 457 E N 0.396 120.668 120.200 0.119 0.000 2.072 457 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 457 E C 0.643 177.291 176.600 0.081 0.000 0.982 457 E CA 0.848 57.331 56.400 0.137 0.000 0.803 457 E CB 0.168 29.898 29.700 0.051 0.000 0.755 457 E HN 0.521 nan 8.360 nan 0.000 0.453 458 Q N 0.689 120.492 119.800 0.004 0.000 2.286 458 Q HA 0.145 4.485 4.340 -0.000 0.000 0.257 458 Q C 0.776 176.695 176.000 -0.134 0.000 0.941 458 Q CA -0.149 55.589 55.803 -0.109 0.000 0.912 458 Q CB 1.009 29.664 28.738 -0.138 0.000 1.192 458 Q HN 0.104 nan 8.270 nan 0.000 0.410 459 I N 2.162 122.575 120.570 -0.262 0.000 2.429 459 I HA 0.214 4.384 4.170 -0.000 0.000 0.247 459 I C 0.621 176.475 176.117 -0.439 0.000 1.099 459 I CA 0.566 61.730 61.300 -0.227 0.000 1.422 459 I CB 0.267 38.101 38.000 -0.278 0.000 1.112 459 I HN 0.650 nan 8.210 nan 0.000 0.430 460 A N 0.597 123.120 122.820 -0.495 0.000 2.557 460 A HA 0.705 5.025 4.320 -0.000 0.000 0.292 460 A C -1.668 175.411 177.584 -0.841 0.000 1.139 460 A CA -0.551 51.025 52.037 -0.768 0.000 0.665 460 A CB 1.235 19.706 19.000 -0.881 0.000 1.285 460 A HN 0.385 nan 8.150 nan 0.000 0.433 461 N N -1.320 116.725 118.700 -1.092 0.000 2.598 461 N HA 0.688 5.428 4.740 -0.000 0.000 0.263 461 N C -1.536 173.572 175.510 -0.669 0.000 1.254 461 N CA -0.697 51.954 53.050 -0.665 0.000 0.863 461 N CB 1.154 39.474 38.487 -0.279 0.000 1.586 461 N HN 0.735 nan 8.380 nan 0.000 0.491 462 W N -0.068 121.255 121.300 0.038 0.000 3.033 462 W HA 0.433 5.093 4.660 -0.000 0.000 0.336 462 W C -0.926 175.578 176.519 -0.024 0.000 1.173 462 W CA -0.449 56.905 57.345 0.016 0.000 1.185 462 W CB 2.188 31.645 29.460 -0.005 0.000 1.425 462 W HN 0.505 nan 8.180 nan 0.000 0.536 463 E N 1.906 122.208 120.200 0.169 0.000 2.176 463 E HA 0.450 4.800 4.350 -0.000 0.000 0.267 463 E C -0.961 175.604 176.600 -0.058 0.000 0.893 463 E CA -0.747 55.673 56.400 0.034 0.000 0.761 463 E CB 2.276 32.017 29.700 0.068 0.000 1.133 463 E HN 0.217 nan 8.360 nan 0.000 0.409 464 I N 2.696 123.122 120.570 -0.239 0.000 2.359 464 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 464 I C -0.219 175.818 176.117 -0.133 0.000 1.018 464 I CA -0.152 60.979 61.300 -0.283 0.000 1.173 464 I CB 1.637 39.253 38.000 -0.640 0.000 1.326 464 I HN 0.361 nan 8.210 nan 0.000 0.462 465 T N 3.518 118.050 114.554 -0.036 0.000 2.940 465 T HA 0.656 5.006 4.350 -0.000 0.000 0.288 465 T C 0.838 175.558 174.700 0.033 0.000 1.033 465 T CA 0.032 62.141 62.100 0.016 0.000 1.033 465 T CB 1.758 70.635 68.868 0.016 0.000 1.079 465 T HN 0.919 nan 8.240 nan 0.000 0.496 466 G N 0.443 109.270 108.800 0.046 0.000 2.184 466 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.206 466 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.206 466 G C 0.090 175.020 174.900 0.050 0.000 0.995 466 G CA -0.332 44.792 45.100 0.041 0.000 0.651 466 G HN 0.782 nan 8.290 nan 0.000 0.511 467 V N 1.911 121.870 119.914 0.074 0.000 2.425 467 V HA 0.289 4.409 4.120 -0.000 0.000 0.276 467 V C 0.647 176.770 176.094 0.049 0.000 1.017 467 V CA 0.700 63.046 62.300 0.075 0.000 1.062 467 V CB 0.864 32.757 31.823 0.117 0.000 0.997 467 V HN 0.467 nan 8.190 nan 0.000 0.476 468 Q N 4.422 124.242 119.800 0.033 0.000 2.307 468 Q HA 0.529 4.869 4.340 -0.000 0.000 0.262 468 Q C -1.191 174.817 176.000 0.013 0.000 0.961 468 Q CA -0.921 54.896 55.803 0.022 0.000 0.882 468 Q CB 2.168 30.916 28.738 0.017 0.000 1.264 468 Q HN 0.545 nan 8.270 nan 0.000 0.446 469 L N 5.142 126.371 121.223 0.010 0.000 2.281 469 L HA 0.327 4.667 4.340 -0.000 0.000 0.285 469 L C -1.738 175.132 176.870 0.001 0.000 1.074 469 L CA -1.232 53.609 54.840 0.002 0.000 0.817 469 L CB -0.263 41.796 42.059 0.001 0.000 1.168 469 L HN 0.468 nan 8.230 nan 0.000 0.434 470 P HA 0.122 nan 4.420 nan 0.000 0.275 470 P C 0.673 177.971 177.300 -0.003 0.000 1.266 470 P CA -0.515 62.584 63.100 -0.003 0.000 0.793 470 P CB 0.763 32.460 31.700 -0.006 0.000 1.074 471 E N 0.503 120.701 120.200 -0.003 0.000 2.340 471 E HA -0.240 4.110 4.350 -0.000 0.000 0.246 471 E C 1.295 177.893 176.600 -0.003 0.000 1.077 471 E CA 2.319 58.718 56.400 -0.002 0.000 1.060 471 E CB -1.340 28.358 29.700 -0.003 0.000 0.935 471 E HN 0.763 nan 8.360 nan 0.000 0.495 472 G N 1.064 109.861 108.800 -0.005 0.000 2.852 472 G HA2 0.253 4.213 3.960 -0.000 0.000 0.280 472 G HA3 0.253 4.213 3.960 -0.000 0.000 0.280 472 G C 0.167 175.063 174.900 -0.007 0.000 0.731 472 G CA 0.556 45.653 45.100 -0.006 0.000 2.037 472 G HN 0.364 nan 8.290 nan 0.000 0.560 473 Q N 0.798 120.596 119.800 -0.004 0.000 2.300 473 Q HA 0.415 4.755 4.340 -0.000 0.000 0.262 473 Q C 0.307 176.304 176.000 -0.005 0.000 1.109 473 Q CA 0.136 55.937 55.803 -0.004 0.000 0.905 473 Q CB 0.706 29.444 28.738 0.000 0.000 1.280 473 Q HN 0.674 nan 8.270 nan 0.000 0.426 474 D N 0.011 120.405 120.400 -0.010 0.000 2.630 474 D HA 0.291 4.931 4.640 -0.000 0.000 0.137 474 D C 0.165 176.453 176.300 -0.019 0.000 1.483 474 D CA 1.340 55.333 54.000 -0.012 0.000 1.490 474 D CB 0.272 41.064 40.800 -0.013 0.000 1.894 474 D HN 0.839 nan 8.370 nan 0.000 0.269 475 S N -0.102 115.581 115.700 -0.027 0.000 2.564 475 S HA 0.737 5.207 4.470 -0.000 0.000 0.274 475 S C -0.579 173.994 174.600 -0.045 0.000 1.124 475 S CA -0.024 58.151 58.200 -0.043 0.000 0.869 475 S CB 1.849 65.017 63.200 -0.054 0.000 1.105 475 S HN 0.623 nan 8.310 nan 0.000 0.472 476 V N 1.538 121.417 119.914 -0.057 0.000 2.531 476 V HA 0.869 4.989 4.120 -0.000 0.000 0.301 476 V C -3.147 172.898 176.094 -0.082 0.000 1.034 476 V CA -2.635 59.633 62.300 -0.054 0.000 0.865 476 V CB 1.817 33.620 31.823 -0.033 0.000 0.995 476 V HN 0.474 nan 8.190 nan 0.000 0.424 477 P HA 0.399 nan 4.420 nan 0.000 0.276 477 P C -0.600 176.645 177.300 -0.092 0.000 1.253 477 P CA -0.095 62.945 63.100 -0.099 0.000 0.766 477 P CB 1.150 32.801 31.700 -0.081 0.000 0.845 478 V N 3.268 123.107 119.914 -0.125 0.000 2.333 478 V HA 0.444 4.564 4.120 -0.000 0.000 0.274 478 V C 0.910 176.948 176.094 -0.094 0.000 1.028 478 V CA -0.634 61.617 62.300 -0.082 0.000 0.851 478 V CB 0.349 32.143 31.823 -0.049 0.000 1.000 478 V HN 0.510 nan 8.190 nan 0.000 0.456 479 K N 5.756 126.117 120.400 -0.066 0.000 2.339 479 K HA 0.682 5.002 4.320 -0.000 0.000 0.286 479 K C -0.826 175.734 176.600 -0.066 0.000 1.050 479 K CA -0.051 56.192 56.287 -0.073 0.000 0.956 479 K CB 0.311 32.777 32.500 -0.057 0.000 0.990 479 K HN 0.678 nan 8.250 nan 0.000 0.475 480 L N 1.854 123.020 121.223 -0.095 0.000 2.381 480 L HA 0.570 4.910 4.340 -0.000 0.000 0.274 480 L C 0.518 177.317 176.870 -0.118 0.000 0.988 480 L CA -1.021 53.759 54.840 -0.100 0.000 0.824 480 L CB 2.104 44.093 42.059 -0.117 0.000 1.263 480 L HN 0.766 nan 8.230 nan 0.000 0.410 481 K N 5.436 125.774 120.400 -0.103 0.000 2.263 481 K HA 0.659 4.979 4.320 -0.000 0.000 0.282 481 K C -0.741 175.783 176.600 -0.127 0.000 1.089 481 K CA -0.259 55.972 56.287 -0.092 0.000 0.907 481 K CB 0.069 32.537 32.500 -0.054 0.000 1.148 481 K HN 0.551 nan 8.250 nan 0.000 0.470 482 L N 1.639 122.763 121.223 -0.165 0.000 2.325 482 L HA 0.692 5.032 4.340 -0.000 0.000 0.279 482 L C 0.387 177.318 176.870 0.101 0.000 1.054 482 L CA -1.075 53.638 54.840 -0.212 0.000 0.804 482 L CB 1.687 43.371 42.059 -0.626 0.000 1.200 482 L HN 0.804 nan 8.230 nan 0.000 0.436 483 R N 1.634 122.294 120.500 0.267 0.000 2.548 483 R HA 0.389 4.729 4.340 -0.000 0.000 0.280 483 R C -1.698 174.666 176.300 0.106 0.000 1.061 483 R CA -0.492 55.758 56.100 0.251 0.000 0.915 483 R CB 1.871 32.230 30.300 0.098 0.000 1.210 483 R HN 0.740 nan 8.270 nan 0.000 0.442 484 C N 5.548 124.615 119.300 -0.388 0.000 2.223 484 C HA 0.384 4.844 4.460 -0.000 0.000 0.324 484 C C -0.027 174.804 174.990 -0.266 0.000 1.196 484 C CA -0.589 58.095 59.018 -0.557 0.000 1.628 484 C CB -0.797 26.336 27.740 -1.012 0.000 2.229 484 C HN 0.900 nan 8.230 nan 0.000 0.486 485 D N 5.839 126.135 120.400 -0.174 0.000 2.414 485 D HA 0.235 4.875 4.640 -0.000 0.000 0.251 485 D C -1.885 174.437 176.300 0.037 0.000 1.252 485 D CA -1.716 52.254 54.000 -0.050 0.000 0.999 485 D CB -0.005 40.782 40.800 -0.022 0.000 1.093 485 D HN 0.223 nan 8.370 nan 0.000 0.515 486 P HA -0.046 nan 4.420 nan 0.000 0.221 486 P C 0.778 178.243 177.300 0.275 0.000 1.145 486 P CA 1.208 64.432 63.100 0.207 0.000 0.795 486 P CB 0.096 31.909 31.700 0.187 0.000 0.775 487 S N -1.920 113.822 115.700 0.071 0.000 2.593 487 S HA 0.283 4.753 4.470 -0.000 0.000 0.217 487 S C 1.538 175.953 174.600 -0.309 0.000 0.966 487 S CA 0.602 58.789 58.200 -0.023 0.000 0.914 487 S CB -0.541 62.592 63.200 -0.111 0.000 0.776 487 S HN 0.321 nan 8.310 nan 0.000 0.523 488 G N 1.409 109.823 108.800 -0.642 0.000 2.136 488 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 488 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 488 G C -0.111 174.333 174.900 -0.759 0.000 0.989 488 G CA -0.136 44.159 45.100 -1.342 0.000 0.682 488 G HN 0.445 nan 8.290 nan 0.000 0.522 489 L N -0.205 120.726 121.223 -0.487 0.000 2.360 489 L HA 0.650 4.990 4.340 -0.000 0.000 0.271 489 L C 0.356 177.072 176.870 -0.257 0.000 1.057 489 L CA -1.224 53.438 54.840 -0.296 0.000 0.803 489 L CB 1.114 43.048 42.059 -0.209 0.000 1.207 489 L HN 0.171 nan 8.230 nan 0.000 0.445 490 H N 0.212 119.433 119.070 0.252 0.000 2.556 490 H HA 0.464 5.020 4.556 -0.000 0.000 0.310 490 H C -0.057 175.607 175.328 0.560 0.000 1.057 490 H CA -0.382 55.899 56.048 0.388 0.000 1.264 490 H CB 1.234 31.236 29.762 0.400 0.000 1.404 490 H HN 0.656 nan 8.280 nan 0.000 0.462 491 T N 0.369 115.270 114.554 0.579 0.000 2.831 491 T HA 0.642 4.992 4.350 -0.000 0.000 0.287 491 T C -0.366 174.374 174.700 0.067 0.000 1.070 491 T CA -1.005 61.387 62.100 0.487 0.000 1.010 491 T CB 1.414 70.470 68.868 0.313 0.000 1.264 491 T HN 0.362 nan 8.240 nan 0.000 0.532 492 I N 1.285 121.685 120.570 -0.283 0.000 2.411 492 I HA 0.534 4.704 4.170 -0.000 0.000 0.284 492 I C 1.351 177.373 176.117 -0.157 0.000 1.012 492 I CA -0.733 60.323 61.300 -0.407 0.000 1.119 492 I CB 1.503 39.001 38.000 -0.837 0.000 1.261 492 I HN 1.077 nan 8.210 nan 0.000 0.448 493 E N 5.114 125.268 120.200 -0.077 0.000 2.086 493 E HA 0.064 4.414 4.350 -0.000 0.000 0.190 493 E C 0.659 177.242 176.600 -0.029 0.000 0.975 493 E CA 0.834 57.221 56.400 -0.020 0.000 0.813 493 E CB 0.486 30.187 29.700 0.000 0.000 0.768 493 E HN 0.730 nan 8.360 nan 0.000 0.457 494 E N -1.671 118.498 120.200 -0.052 0.000 2.366 494 E HA 0.623 4.973 4.350 -0.000 0.000 0.278 494 E C -1.927 174.643 176.600 -0.049 0.000 0.923 494 E CA -0.463 55.914 56.400 -0.039 0.000 0.761 494 E CB 2.201 31.884 29.700 -0.027 0.000 1.231 494 E HN 0.414 nan 8.360 nan 0.000 0.443 495 A N 1.816 124.619 122.820 -0.029 0.000 2.427 495 A HA 0.795 5.115 4.320 -0.000 0.000 0.298 495 A C -1.656 175.930 177.584 0.004 0.000 1.036 495 A CA 0.142 52.173 52.037 -0.010 0.000 0.701 495 A CB 0.982 19.984 19.000 0.003 0.000 1.250 495 A HN 0.811 nan 8.150 nan 0.000 0.412 496 Y N -0.086 120.217 120.300 0.005 0.000 2.480 496 Y HA 0.671 5.221 4.550 -0.000 0.000 0.329 496 Y C -0.004 175.894 175.900 -0.003 0.000 1.127 496 Y CA -0.626 57.475 58.100 0.002 0.000 1.037 496 Y CB 0.531 38.985 38.460 -0.009 0.000 1.320 496 Y HN 1.011 nan 8.280 nan 0.000 0.446 497 T N 3.922 118.477 114.554 0.002 0.000 2.913 497 T HA 0.704 5.054 4.350 -0.000 0.000 0.287 497 T C 0.351 175.043 174.700 -0.014 0.000 1.008 497 T CA 0.438 62.533 62.100 -0.008 0.000 1.067 497 T CB 1.193 70.060 68.868 -0.001 0.000 0.996 497 T HN 1.308 nan 8.240 nan 0.000 0.513 527 T N 0.313 114.858 114.554 -0.015 0.000 3.901 527 T HA 0.703 5.053 4.350 -0.000 0.000 0.222 527 T C -0.243 174.448 174.700 -0.014 0.000 0.853 527 T CA 0.529 62.619 62.100 -0.017 0.000 1.576 527 T CB -0.530 68.328 68.868 -0.017 0.000 0.787 527 T HN 1.788 nan 8.240 nan 0.000 0.612 528 V N 1.146 121.052 119.914 -0.013 0.000 2.588 528 V HA 0.868 4.988 4.120 -0.000 0.000 0.304 528 V C 0.153 176.241 176.094 -0.011 0.000 1.042 528 V CA -1.560 60.733 62.300 -0.011 0.000 0.877 528 V CB 1.624 33.442 31.823 -0.009 0.000 0.996 528 V HN 0.648 nan 8.190 nan 0.000 0.425 529 K N 4.137 124.531 120.400 -0.010 0.000 2.453 529 K HA 0.447 4.767 4.320 -0.000 0.000 0.280 529 K C 0.925 177.521 176.600 -0.006 0.000 1.045 529 K CA 1.132 57.414 56.287 -0.009 0.000 1.059 529 K CB 0.935 33.431 32.500 -0.008 0.000 0.901 529 K HN 0.943 nan 8.250 nan 0.000 0.475 530 K N 3.590 123.987 120.400 -0.006 0.000 2.118 530 K HA 0.060 4.380 4.320 -0.000 0.000 0.214 530 K C -0.185 176.416 176.600 0.001 0.000 1.023 530 K CA 1.494 57.780 56.287 -0.002 0.000 0.948 530 K CB -0.557 31.941 32.500 -0.003 0.000 0.851 530 K HN 0.929 nan 8.250 nan 0.000 0.455 531 D N 1.180 121.582 120.400 0.004 0.000 2.855 531 D HA 0.306 4.946 4.640 -0.000 0.000 0.241 531 D C -1.707 174.600 176.300 0.011 0.000 1.277 531 D CA -0.755 53.250 54.000 0.008 0.000 0.918 531 D CB 1.200 42.008 40.800 0.013 0.000 1.462 531 D HN 0.417 nan 8.370 nan 0.000 0.559 532 D N 2.047 122.452 120.400 0.008 0.000 2.383 532 D HA 0.187 4.827 4.640 -0.000 0.000 0.252 532 D C 0.101 176.408 176.300 0.013 0.000 1.166 532 D CA -0.230 53.774 54.000 0.008 0.000 0.879 532 D CB 0.724 41.527 40.800 0.004 0.000 1.164 532 D HN 0.371 nan 8.370 nan 0.000 0.462 533 L N 1.512 122.745 121.223 0.016 0.000 2.375 533 L HA 0.323 4.662 4.340 -0.000 0.000 0.271 533 L C 0.955 177.830 176.870 0.008 0.000 1.107 533 L CA -0.922 53.930 54.840 0.020 0.000 0.806 533 L CB 0.952 43.033 42.059 0.037 0.000 1.146 533 L HN 0.450 nan 8.230 nan 0.000 0.447 534 T N 0.135 114.694 114.554 0.008 0.000 2.761 534 T HA 0.561 4.911 4.350 -0.000 0.000 0.296 534 T C -0.335 174.363 174.700 -0.003 0.000 0.934 534 T CA -0.483 61.620 62.100 0.005 0.000 1.091 534 T CB 0.281 69.154 68.868 0.009 0.000 0.896 534 T HN 0.224 nan 8.240 nan 0.000 0.515 535 I N 3.547 124.121 120.570 0.006 0.000 2.354 535 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 535 I C -0.251 175.890 176.117 0.041 0.000 0.989 535 I CA -0.790 60.524 61.300 0.023 0.000 1.188 535 I CB 1.882 39.901 38.000 0.031 0.000 1.342 535 I HN 0.443 nan 8.210 nan 0.000 0.457 536 V N 6.546 126.479 119.914 0.032 0.000 2.328 536 V HA 0.623 4.743 4.120 -0.000 0.000 0.278 536 V C 0.385 176.414 176.094 -0.109 0.000 1.021 536 V CA -0.607 61.663 62.300 -0.051 0.000 0.838 536 V CB 1.185 32.965 31.823 -0.073 0.000 0.999 536 V HN 0.817 nan 8.190 nan 0.000 0.447 537 A N 4.224 126.960 122.820 -0.140 0.000 2.309 537 A HA 0.698 5.018 4.320 -0.000 0.000 0.298 537 A C -0.498 176.735 177.584 -0.586 0.000 1.165 537 A CA -0.317 51.608 52.037 -0.186 0.000 0.821 537 A CB 0.064 19.123 19.000 0.098 0.000 1.102 537 A HN 0.962 nan 8.150 nan 0.000 0.500 538 H N 1.132 119.929 119.070 -0.455 0.000 2.762 538 H HA 0.508 5.064 4.556 -0.000 0.000 0.310 538 H C 0.353 175.319 175.328 -0.602 0.000 1.004 538 H CA 0.207 55.993 56.048 -0.435 0.000 1.267 538 H CB 1.536 31.073 29.762 -0.374 0.000 1.437 538 H HN 0.830 nan 8.280 nan 0.000 0.498 539 T N -1.493 112.807 114.554 -0.423 0.000 2.724 539 T HA 0.253 4.603 4.350 -0.000 0.000 0.274 539 T C 0.450 174.760 174.700 -0.649 0.000 0.984 539 T CA -0.762 60.950 62.100 -0.645 0.000 1.024 539 T CB 0.657 69.148 68.868 -0.628 0.000 1.320 539 T HN 0.176 nan 8.240 nan 0.000 0.555 540 F N 1.195 120.705 119.950 -0.734 0.000 2.748 540 F HA 0.335 4.862 4.527 -0.000 0.000 0.299 540 F C 1.901 177.493 175.800 -0.346 0.000 1.154 540 F CA -0.183 57.530 58.000 -0.478 0.000 1.446 540 F CB -0.705 38.076 39.000 -0.365 0.000 1.112 540 F HN 0.802 nan 8.300 nan 0.000 0.584 541 G N 0.630 109.246 108.800 -0.306 0.000 2.503 541 G HA2 0.392 4.352 3.960 -0.000 0.000 0.257 541 G HA3 0.392 4.352 3.960 -0.000 0.000 0.257 541 G C -0.222 174.704 174.900 0.043 0.000 1.214 541 G CA -0.608 44.544 45.100 0.087 0.000 0.839 541 G HN 0.048 nan 8.290 nan 0.000 0.559 542 L N 1.801 123.078 121.223 0.089 0.000 2.397 542 L HA 0.182 4.522 4.340 -0.000 0.000 0.271 542 L C 0.628 177.526 176.870 0.047 0.000 1.148 542 L CA -0.947 53.931 54.840 0.063 0.000 0.825 542 L CB 0.710 42.814 42.059 0.076 0.000 1.117 542 L HN 0.648 nan 8.230 nan 0.000 0.456 543 D N 2.118 122.537 120.400 0.032 0.000 2.361 543 D HA 0.006 4.646 4.640 -0.000 0.000 0.239 543 D C 0.850 177.170 176.300 0.033 0.000 1.200 543 D CA -0.061 53.953 54.000 0.024 0.000 0.915 543 D CB 1.162 41.975 40.800 0.022 0.000 1.170 543 D HN 0.567 nan 8.370 nan 0.000 0.444 544 A N 1.316 124.153 122.820 0.029 0.000 1.972 544 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 544 A C 2.297 179.901 177.584 0.033 0.000 1.169 544 A CA 2.889 54.945 52.037 0.032 0.000 0.635 544 A CB -1.069 17.947 19.000 0.027 0.000 0.810 544 A HN 0.786 nan 8.150 nan 0.000 0.446 545 K N 0.301 120.719 120.400 0.030 0.000 1.985 545 K HA -0.129 4.191 4.320 -0.000 0.000 0.210 545 K C 2.073 178.695 176.600 0.037 0.000 1.047 545 K CA 2.148 58.453 56.287 0.031 0.000 0.932 545 K CB -0.703 31.813 32.500 0.027 0.000 0.716 545 K HN 0.406 nan 8.250 nan 0.000 0.439 546 K N 0.676 121.100 120.400 0.039 0.000 1.987 546 K HA -0.036 4.284 4.320 -0.000 0.000 0.216 546 K C 2.072 178.704 176.600 0.054 0.000 1.051 546 K CA 1.783 58.098 56.287 0.047 0.000 0.942 546 K CB -0.847 31.681 32.500 0.048 0.000 0.722 546 K HN 0.367 nan 8.250 nan 0.000 0.444 547 L N 0.500 121.756 121.223 0.054 0.000 2.010 547 L HA -0.361 3.979 4.340 -0.000 0.000 0.219 547 L C 2.010 178.912 176.870 0.054 0.000 1.077 547 L CA 2.392 57.267 54.840 0.057 0.000 0.773 547 L CB -0.598 41.494 42.059 0.055 0.000 0.892 547 L HN 0.459 nan 8.230 nan 0.000 0.436 548 N N -0.963 117.765 118.700 0.047 0.000 2.223 548 N HA -0.198 4.542 4.740 -0.000 0.000 0.185 548 N C 1.623 177.163 175.510 0.049 0.000 1.016 548 N CA 1.069 54.145 53.050 0.044 0.000 0.863 548 N CB 0.010 38.519 38.487 0.037 0.000 0.983 548 N HN 0.403 nan 8.380 nan 0.000 0.429 549 E N 0.680 120.911 120.200 0.051 0.000 2.077 549 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 549 E C 1.835 178.479 176.600 0.073 0.000 0.989 549 E CA 0.807 57.242 56.400 0.058 0.000 0.800 549 E CB -0.009 29.723 29.700 0.054 0.000 0.746 549 E HN 0.363 nan 8.360 nan 0.000 0.452 550 L N 0.540 121.809 121.223 0.077 0.000 2.109 550 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 550 L C 2.416 179.335 176.870 0.082 0.000 1.086 550 L CA 0.606 55.501 54.840 0.091 0.000 0.760 550 L CB -0.319 41.795 42.059 0.093 0.000 0.910 550 L HN 0.161 nan 8.230 nan 0.000 0.437 551 I N 0.124 120.734 120.570 0.067 0.000 2.127 551 I HA -0.331 3.839 4.170 -0.000 0.000 0.241 551 I C 2.676 178.827 176.117 0.057 0.000 1.075 551 I CA 1.584 62.918 61.300 0.056 0.000 1.334 551 I CB -0.301 37.727 38.000 0.048 0.000 1.040 551 I HN 0.355 nan 8.210 nan 0.000 0.405 552 E N 1.443 121.679 120.200 0.059 0.000 2.058 552 E HA -0.315 4.035 4.350 -0.000 0.000 0.194 552 E C 2.238 178.883 176.600 0.074 0.000 0.997 552 E CA 1.619 58.054 56.400 0.059 0.000 0.801 552 E CB -0.014 29.720 29.700 0.055 0.000 0.746 552 E HN 0.319 nan 8.360 nan 0.000 0.450 553 K N 0.351 120.808 120.400 0.094 0.000 2.057 553 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 553 K C 2.166 178.842 176.600 0.126 0.000 1.049 553 K CA 1.711 58.076 56.287 0.129 0.000 0.931 553 K CB -0.071 32.528 32.500 0.164 0.000 0.714 553 K HN -0.017 nan 8.250 nan 0.000 0.440 554 E N 1.011 121.267 120.200 0.093 0.000 2.077 554 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 554 E C 1.321 177.951 176.600 0.051 0.000 0.989 554 E CA 2.007 58.442 56.400 0.059 0.000 0.800 554 E CB -0.219 29.504 29.700 0.040 0.000 0.746 554 E HN 0.420 nan 8.360 nan 0.000 0.452 555 N N 0.050 118.780 118.700 0.051 0.000 2.104 555 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 555 N C 0.509 176.049 175.510 0.049 0.000 1.024 555 N CA 0.640 53.715 53.050 0.041 0.000 0.853 555 N CB -0.111 38.399 38.487 0.038 0.000 1.008 555 N HN 0.252 nan 8.380 nan 0.000 0.424 559 A N 0.256 123.093 122.820 0.028 0.000 1.908 559 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 559 A C 1.934 179.537 177.584 0.031 0.000 1.181 559 A CA 2.429 54.482 52.037 0.026 0.000 0.627 559 A CB -0.535 18.482 19.000 0.029 0.000 0.818 559 A HN 0.552 nan 8.150 nan 0.000 0.445 560 Q N -0.601 119.227 119.800 0.045 0.000 2.050 560 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 560 Q C 1.346 177.373 176.000 0.045 0.000 0.980 560 Q CA 1.860 57.692 55.803 0.048 0.000 0.840 560 Q CB -0.196 28.580 28.738 0.063 0.000 0.898 560 Q HN 0.594 nan 8.270 nan 0.000 0.424 561 D N 0.208 120.635 120.400 0.046 0.000 2.144 561 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 561 D C 1.634 177.941 176.300 0.012 0.000 0.984 561 D CA 1.127 55.142 54.000 0.025 0.000 0.834 561 D CB -0.086 40.714 40.800 -0.000 0.000 0.955 561 D HN 0.268 nan 8.370 nan 0.000 0.465 562 K N 0.097 120.503 120.400 0.009 0.000 2.103 562 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 562 K C 2.054 178.658 176.600 0.007 0.000 1.052 562 K CA 0.367 56.655 56.287 0.001 0.000 0.945 562 K CB -0.072 32.427 32.500 -0.001 0.000 0.722 562 K HN -0.004 nan 8.250 nan 0.000 0.443 563 L N 0.968 122.202 121.223 0.017 0.000 2.056 563 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 563 L C 1.945 178.831 176.870 0.027 0.000 1.078 563 L CA 1.386 56.240 54.840 0.023 0.000 0.749 563 L CB -0.351 41.725 42.059 0.029 0.000 0.901 563 L HN -0.027 nan 8.230 nan 0.000 0.433 564 V N -0.001 119.929 119.914 0.027 0.000 2.307 564 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 564 V C 2.784 178.885 176.094 0.010 0.000 1.045 564 V CA 1.633 63.949 62.300 0.028 0.000 1.024 564 V CB -1.260 30.584 31.823 0.035 0.000 0.651 564 V HN 0.595 nan 8.190 nan 0.000 0.449 565 A N -0.522 122.300 122.820 0.004 0.000 1.902 565 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 565 A C 2.158 179.725 177.584 -0.028 0.000 1.181 565 A CA 1.955 53.985 52.037 -0.012 0.000 0.623 565 A CB -0.513 18.480 19.000 -0.011 0.000 0.818 565 A HN 0.619 nan 8.150 nan 0.000 0.443 566 E N -1.144 119.045 120.200 -0.018 0.000 2.110 566 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 566 E C 2.207 178.794 176.600 -0.022 0.000 0.988 566 E CA 1.616 58.003 56.400 -0.022 0.000 0.804 566 E CB -0.233 29.462 29.700 -0.008 0.000 0.745 566 E HN 0.752 nan 8.360 nan 0.000 0.458 567 T N -0.596 113.961 114.554 0.004 0.000 2.904 567 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 567 T C 1.609 176.231 174.700 -0.130 0.000 1.059 567 T CA 1.153 63.271 62.100 0.030 0.000 1.137 567 T CB -0.045 68.909 68.868 0.144 0.000 0.879 567 T HN 0.103 nan 8.240 nan 0.000 0.467 568 E N 0.497 120.621 120.200 -0.127 0.000 2.072 568 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 568 E C 2.009 178.485 176.600 -0.206 0.000 0.985 568 E CA 1.412 57.698 56.400 -0.191 0.000 0.801 568 E CB -0.176 29.457 29.700 -0.112 0.000 0.750 568 E HN 0.572 nan 8.360 nan 0.000 0.452 569 D N 0.213 120.527 120.400 -0.142 0.000 2.097 569 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 569 D C 1.963 178.164 176.300 -0.164 0.000 0.989 569 D CA 0.969 54.891 54.000 -0.131 0.000 0.827 569 D CB 0.234 40.977 40.800 -0.094 0.000 0.966 569 D HN -0.107 nan 8.370 nan 0.000 0.456 570 R N 0.489 120.893 120.500 -0.160 0.000 2.096 570 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 570 R C 2.216 178.378 176.300 -0.230 0.000 1.127 570 R CA 0.969 56.980 56.100 -0.148 0.000 0.968 570 R CB -0.720 29.570 30.300 -0.016 0.000 0.861 570 R HN 0.342 nan 8.270 nan 0.000 0.440 571 K N 0.679 120.756 120.400 -0.538 0.000 2.057 571 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 571 K C 1.802 178.195 176.600 -0.345 0.000 1.049 571 K CA 1.822 57.612 56.287 -0.829 0.000 0.931 571 K CB -0.124 31.608 32.500 -1.280 0.000 0.714 571 K HN 0.031 nan 8.250 nan 0.000 0.440 572 N N -0.455 118.090 118.700 -0.260 0.000 2.270 572 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 572 N C 1.279 176.740 175.510 -0.080 0.000 1.016 572 N CA 1.637 54.598 53.050 -0.148 0.000 0.870 572 N CB -0.036 38.378 38.487 -0.123 0.000 0.979 572 N HN 0.130 nan 8.380 nan 0.000 0.431 573 T N 0.695 115.191 114.554 -0.097 0.000 2.777 573 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 573 T C 1.704 176.429 174.700 0.042 0.000 1.040 573 T CA 0.950 63.007 62.100 -0.072 0.000 1.141 573 T CB -0.360 68.384 68.868 -0.206 0.000 0.868 573 T HN 0.184 nan 8.240 nan 0.000 0.444 574 L N 1.592 122.853 121.223 0.064 0.000 1.989 574 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 574 L C 2.377 179.330 176.870 0.138 0.000 1.071 574 L CA 1.999 56.983 54.840 0.240 0.000 0.749 574 L CB -0.777 41.458 42.059 0.294 0.000 0.890 574 L HN 0.271 nan 8.230 nan 0.000 0.431 575 E N -0.780 119.418 120.200 -0.003 0.000 2.110 575 E HA -0.303 4.047 4.350 -0.000 0.000 0.193 575 E C 2.104 178.512 176.600 -0.320 0.000 0.988 575 E CA 1.328 57.611 56.400 -0.195 0.000 0.804 575 E CB -0.096 29.518 29.700 -0.144 0.000 0.745 575 E HN 0.733 nan 8.360 nan 0.000 0.458 576 E N -0.543 119.630 120.200 -0.046 0.000 2.047 576 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 576 E C 1.971 178.633 176.600 0.103 0.000 0.987 576 E CA 1.101 57.545 56.400 0.072 0.000 0.799 576 E CB -0.374 29.392 29.700 0.111 0.000 0.752 576 E HN 0.342 nan 8.360 nan 0.000 0.449 577 Y N 0.971 121.290 120.300 0.032 0.000 2.333 577 Y HA -0.124 4.426 4.550 -0.000 0.000 0.290 577 Y C 1.766 177.670 175.900 0.006 0.000 1.144 577 Y CA 1.364 59.513 58.100 0.082 0.000 1.228 577 Y CB -0.049 38.563 38.460 0.252 0.000 0.985 577 Y HN 0.097 nan 8.280 nan 0.000 0.542 578 I N -1.112 119.389 120.570 -0.115 0.000 2.113 578 I HA -0.395 3.775 4.170 -0.000 0.000 0.238 578 I C 1.897 177.916 176.117 -0.163 0.000 1.070 578 I CA 1.891 63.059 61.300 -0.219 0.000 1.332 578 I CB -0.709 37.136 38.000 -0.258 0.000 1.044 578 I HN 0.161 nan 8.210 nan 0.000 0.402 579 Y N 0.327 120.623 120.300 -0.007 0.000 2.293 579 Y HA -0.195 4.355 4.550 -0.000 0.000 0.291 579 Y C 2.809 178.671 175.900 -0.063 0.000 1.137 579 Y CA 0.979 59.067 58.100 -0.020 0.000 1.202 579 Y CB -0.761 37.705 38.460 0.010 0.000 0.990 579 Y HN 0.142 nan 8.280 nan 0.000 0.537 580 T N 0.589 115.172 114.554 0.049 0.000 2.698 580 T HA -0.153 4.197 4.350 -0.000 0.000 0.260 580 T C 1.833 176.441 174.700 -0.152 0.000 1.044 580 T CA 1.117 63.202 62.100 -0.025 0.000 1.149 580 T CB -0.591 68.294 68.868 0.029 0.000 0.864 580 T HN 0.144 nan 8.240 nan 0.000 0.419 581 L N 1.559 122.602 121.223 -0.299 0.000 2.191 581 L HA 0.069 4.409 4.340 -0.000 0.000 0.212 581 L C 2.413 179.164 176.870 -0.198 0.000 1.103 581 L CA 1.598 56.235 54.840 -0.338 0.000 0.769 581 L CB -0.563 41.106 42.059 -0.649 0.000 0.908 581 L HN 0.093 nan 8.230 nan 0.000 0.438 582 R N -0.959 119.456 120.500 -0.142 0.000 2.115 582 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 582 R C 2.099 178.361 176.300 -0.063 0.000 1.100 582 R CA 1.173 57.234 56.100 -0.066 0.000 0.980 582 R CB -0.563 29.732 30.300 -0.008 0.000 0.875 582 R HN 0.479 nan 8.270 nan 0.000 0.445 583 G N 1.228 109.980 108.800 -0.079 0.000 2.394 583 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.214 583 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.214 583 G C 1.148 175.953 174.900 -0.159 0.000 1.176 583 G CA 0.439 45.484 45.100 -0.091 0.000 0.786 583 G HN 0.268 nan 8.290 nan 0.000 0.533 584 K N 0.188 120.421 120.400 -0.279 0.000 2.103 584 K HA 0.050 4.370 4.320 -0.000 0.000 0.207 584 K C 2.432 178.844 176.600 -0.315 0.000 1.048 584 K CA 0.594 56.568 56.287 -0.521 0.000 0.930 584 K CB -0.388 31.457 32.500 -1.093 0.000 0.716 584 K HN 0.262 nan 8.250 nan 0.000 0.444 585 L N 1.243 122.394 121.223 -0.119 0.000 2.131 585 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 585 L C 2.933 179.811 176.870 0.013 0.000 1.092 585 L CA 1.772 56.633 54.840 0.035 0.000 0.759 585 L CB -0.613 41.469 42.059 0.038 0.000 0.903 585 L HN 0.409 nan 8.230 nan 0.000 0.435 586 E N -0.266 119.917 120.200 -0.028 0.000 2.170 586 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 586 E C 1.574 178.160 176.600 -0.023 0.000 0.981 586 E CA 0.767 57.156 56.400 -0.019 0.000 0.830 586 E CB 0.010 29.696 29.700 -0.024 0.000 0.775 586 E HN 0.494 nan 8.360 nan 0.000 0.470 587 E N 0.204 120.371 120.200 -0.055 0.000 3.388 587 E HA 0.095 4.445 4.350 -0.000 0.000 0.390 587 E C 1.933 178.519 176.600 -0.023 0.000 0.432 587 E CA 0.635 57.005 56.400 -0.051 0.000 2.109 587 E CB -0.558 29.090 29.700 -0.086 0.000 2.195 587 E HN 0.409 nan 8.360 nan 0.000 0.488 588 E N 0.493 120.639 120.200 -0.091 0.000 2.268 588 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 588 E C 1.738 178.441 176.600 0.172 0.000 0.995 588 E CA 0.881 57.269 56.400 -0.020 0.000 0.836 588 E CB -0.264 29.280 29.700 -0.260 0.000 0.763 588 E HN 0.281 nan 8.360 nan 0.000 0.491 589 Y N 0.618 120.865 120.300 -0.088 0.000 2.516 589 Y HA 0.245 4.795 4.550 -0.000 0.000 0.291 589 Y C 2.307 178.311 175.900 0.172 0.000 1.131 589 Y CA -0.223 57.926 58.100 0.081 0.000 1.281 589 Y CB -0.950 37.497 38.460 -0.021 0.000 1.013 589 Y HN 0.100 nan 8.280 nan 0.000 0.554 590 A N 1.164 124.113 122.820 0.216 0.000 1.927 590 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 590 A C -0.152 177.432 177.584 -0.000 0.000 1.185 590 A CA 1.849 53.940 52.037 0.091 0.000 0.639 590 A CB -1.813 17.209 19.000 0.037 0.000 0.820 590 A HN 0.289 nan 8.150 nan 0.000 0.451 591 P HA 0.079 nan 4.420 nan 0.000 0.242 591 P C 0.007 176.941 177.300 -0.610 0.000 1.197 591 P CA 0.596 63.435 63.100 -0.435 0.000 0.765 591 P CB -0.129 31.164 31.700 -0.679 0.000 0.936 592 F N -1.053 118.936 119.950 0.065 0.000 2.724 592 F HA 0.483 5.010 4.527 -0.000 0.000 0.310 592 F C 0.834 176.637 175.800 0.004 0.000 1.107 592 F CA -0.580 57.441 58.000 0.035 0.000 1.218 592 F CB 0.236 39.261 39.000 0.041 0.000 1.042 592 F HN -0.213 nan 8.300 nan 0.000 0.540 593 A N 0.434 123.324 122.820 0.118 0.000 2.343 593 A HA 0.649 4.969 4.320 -0.000 0.000 0.316 593 A C 0.241 177.846 177.584 0.036 0.000 1.104 593 A CA -0.549 51.532 52.037 0.073 0.000 0.768 593 A CB 0.667 19.710 19.000 0.071 0.000 1.213 593 A HN 0.145 nan 8.150 nan 0.000 0.456 594 S N 1.247 116.963 115.700 0.027 0.000 2.589 594 S HA 0.116 4.586 4.470 -0.000 0.000 0.265 594 S C 0.838 175.445 174.600 0.011 0.000 1.342 594 S CA 0.715 58.924 58.200 0.014 0.000 1.005 594 S CB 0.616 63.824 63.200 0.012 0.000 0.909 594 S HN 0.783 nan 8.310 nan 0.000 0.555 595 D N 1.716 122.120 120.400 0.006 0.000 2.127 595 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 595 D C 2.105 178.409 176.300 0.007 0.000 1.000 595 D CA 2.377 56.380 54.000 0.005 0.000 0.839 595 D CB -0.739 40.062 40.800 0.002 0.000 0.955 595 D HN 0.728 nan 8.370 nan 0.000 0.446 596 A N 0.099 122.922 122.820 0.006 0.000 1.917 596 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 596 A C 2.179 179.768 177.584 0.007 0.000 1.182 596 A CA 2.098 54.139 52.037 0.005 0.000 0.633 596 A CB -0.808 18.194 19.000 0.004 0.000 0.819 596 A HN 0.438 nan 8.150 nan 0.000 0.448 597 E N -0.687 119.519 120.200 0.010 0.000 2.047 597 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 597 E C 2.121 178.730 176.600 0.015 0.000 0.987 597 E CA 1.398 57.805 56.400 0.011 0.000 0.799 597 E CB -0.132 29.578 29.700 0.016 0.000 0.752 597 E HN 0.646 nan 8.360 nan 0.000 0.449 598 K N 0.307 120.719 120.400 0.019 0.000 2.009 598 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 598 K C 2.421 179.029 176.600 0.014 0.000 1.049 598 K CA 2.100 58.400 56.287 0.021 0.000 0.929 598 K CB -0.225 32.288 32.500 0.021 0.000 0.714 598 K HN 0.220 nan 8.250 nan 0.000 0.440 599 T N -1.239 113.321 114.554 0.010 0.000 2.857 599 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 599 T C 1.913 176.617 174.700 0.006 0.000 1.048 599 T CA 1.383 63.488 62.100 0.008 0.000 1.139 599 T CB -0.160 68.712 68.868 0.007 0.000 0.874 599 T HN 0.264 nan 8.240 nan 0.000 0.455 600 K N -0.084 120.319 120.400 0.005 0.000 2.097 600 K HA -0.009 4.311 4.320 -0.000 0.000 0.206 600 K C 2.191 178.791 176.600 -0.001 0.000 1.049 600 K CA 1.094 57.382 56.287 0.001 0.000 0.933 600 K CB -0.332 32.167 32.500 -0.001 0.000 0.717 600 K HN 0.292 nan 8.250 nan 0.000 0.442 601 L N 1.496 122.720 121.223 0.001 0.000 2.072 601 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 601 L C 2.015 178.883 176.870 -0.004 0.000 1.079 601 L CA 1.627 56.465 54.840 -0.003 0.000 0.752 601 L CB -0.519 41.541 42.059 0.001 0.000 0.906 601 L HN 0.237 nan 8.230 nan 0.000 0.436 602 Q N -0.369 119.433 119.800 0.003 0.000 2.084 602 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 602 Q C 1.246 177.253 176.000 0.012 0.000 0.978 602 Q CA 0.955 56.762 55.803 0.007 0.000 0.844 602 Q CB -0.554 28.190 28.738 0.010 0.000 0.898 602 Q HN 0.616 nan 8.270 nan 0.000 0.426 606 N N 1.573 120.305 118.700 0.052 0.000 2.188 606 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 606 N C 1.803 177.373 175.510 0.101 0.000 1.018 606 N CA 2.007 55.103 53.050 0.077 0.000 0.858 606 N CB -0.096 38.426 38.487 0.058 0.000 0.989 606 N HN 0.418 nan 8.380 nan 0.000 0.426 607 K N 1.105 121.554 120.400 0.083 0.000 2.097 607 K HA 0.151 4.471 4.320 -0.000 0.000 0.205 607 K C 2.152 178.849 176.600 0.162 0.000 1.050 607 K CA 1.411 57.760 56.287 0.102 0.000 0.938 607 K CB -1.031 31.501 32.500 0.053 0.000 0.718 607 K HN 0.291 nan 8.250 nan 0.000 0.442 608 A N 0.799 123.699 122.820 0.134 0.000 1.930 608 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 608 A C 2.189 179.958 177.584 0.310 0.000 1.175 608 A CA 1.801 53.957 52.037 0.198 0.000 0.627 608 A CB -0.258 18.806 19.000 0.108 0.000 0.815 608 A HN 0.723 nan 8.150 nan 0.000 0.443 609 E N -0.324 120.012 120.200 0.227 0.000 2.106 609 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 609 E C 1.997 178.820 176.600 0.372 0.000 0.984 609 E CA 1.140 57.696 56.400 0.259 0.000 0.806 609 E CB -0.128 29.706 29.700 0.224 0.000 0.750 609 E HN 0.739 nan 8.360 nan 0.000 0.458 610 E N -0.328 120.058 120.200 0.311 0.000 2.072 610 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 610 E C 1.724 178.531 176.600 0.344 0.000 0.985 610 E CA 1.117 57.695 56.400 0.296 0.000 0.801 610 E CB -0.274 29.546 29.700 0.200 0.000 0.750 610 E HN 0.397 nan 8.360 nan 0.000 0.452 611 W N 1.324 122.716 121.300 0.154 0.000 2.338 611 W HA -0.189 4.471 4.660 -0.000 0.000 0.304 611 W C 1.768 178.381 176.519 0.157 0.000 1.212 611 W CA 1.453 58.876 57.345 0.130 0.000 1.264 611 W CB -0.332 29.181 29.460 0.089 0.000 1.142 611 W HN 0.065 nan 8.180 nan 0.000 0.512 612 L N -0.696 120.615 121.223 0.148 0.000 2.191 612 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 612 L C 1.790 178.576 176.870 -0.141 0.000 1.103 612 L CA 1.054 55.837 54.840 -0.095 0.000 0.769 612 L CB -0.713 41.333 42.059 -0.022 0.000 0.908 612 L HN 0.016 nan 8.230 nan 0.000 0.438 613 Y N -0.919 119.425 120.300 0.074 0.000 2.511 613 Y HA -0.038 4.512 4.550 -0.000 0.000 0.279 613 Y C 1.398 177.321 175.900 0.039 0.000 1.157 613 Y CA 0.061 58.230 58.100 0.115 0.000 1.300 613 Y CB 0.119 38.636 38.460 0.094 0.000 1.052 613 Y HN 0.217 nan 8.280 nan 0.000 0.529 614 D N -1.270 119.166 120.400 0.060 0.000 3.506 614 D HA -0.007 4.632 4.640 -0.000 0.000 0.184 614 D C 1.260 177.471 176.300 -0.149 0.000 1.138 614 D CA -0.182 53.806 54.000 -0.021 0.000 1.427 614 D CB -0.536 40.281 40.800 0.028 0.000 1.012 614 D HN -0.055 nan 8.370 nan 0.000 0.177 615 E N 0.235 120.296 120.200 -0.231 0.000 2.171 615 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 615 E C 1.469 177.653 176.600 -0.694 0.000 0.997 615 E CA 1.281 57.511 56.400 -0.284 0.000 0.810 615 E CB -0.183 29.517 29.700 -0.001 0.000 0.738 615 E HN 0.352 nan 8.360 nan 0.000 0.467 616 G N -0.900 107.003 108.800 -1.495 0.000 3.141 616 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.218 616 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.218 616 G C 0.884 175.446 174.900 -0.564 0.000 1.170 616 G CA -0.358 43.649 45.100 -1.822 0.000 0.769 616 G HN 0.259 nan 8.290 nan 0.000 0.546 617 F N 0.948 120.643 119.950 -0.424 0.000 2.186 617 F HA 0.119 4.646 4.527 -0.000 0.000 0.299 617 F C 0.148 175.891 175.800 -0.096 0.000 1.090 617 F CA 0.968 58.842 58.000 -0.210 0.000 1.307 617 F CB 0.552 39.461 39.000 -0.153 0.000 1.019 617 F HN 0.114 nan 8.300 nan 0.000 0.489 618 D N 0.345 120.814 120.400 0.114 0.000 2.336 618 D HA 0.269 4.909 4.640 -0.000 0.000 0.248 618 D C -1.215 175.116 176.300 0.052 0.000 1.326 618 D CA -0.014 54.048 54.000 0.103 0.000 0.973 618 D CB 1.235 42.164 40.800 0.214 0.000 1.255 618 D HN 0.083 nan 8.370 nan 0.000 0.558 619 S N 2.010 117.752 115.700 0.070 0.000 2.732 619 S HA 0.747 5.217 4.470 -0.000 0.000 0.293 619 S C -0.683 173.925 174.600 0.012 0.000 1.159 619 S CA -0.846 57.308 58.200 -0.076 0.000 0.847 619 S CB 0.695 63.657 63.200 -0.396 0.000 1.169 619 S HN 0.425 nan 8.310 nan 0.000 0.501 620 I N 0.524 121.061 120.570 -0.055 0.000 2.664 620 I HA 0.548 4.718 4.170 -0.000 0.000 0.308 620 I C 1.342 177.500 176.117 0.069 0.000 0.984 620 I CA -0.638 60.686 61.300 0.040 0.000 1.213 620 I CB 0.917 38.938 38.000 0.035 0.000 1.379 620 I HN 0.801 nan 8.210 nan 0.000 0.501 621 K N 3.520 124.021 120.400 0.168 0.000 2.059 621 K HA -0.247 4.073 4.320 -0.000 0.000 0.212 621 K C 1.882 178.566 176.600 0.139 0.000 1.050 621 K CA 2.265 58.678 56.287 0.211 0.000 0.927 621 K CB -0.343 32.231 32.500 0.124 0.000 0.714 621 K HN 0.916 nan 8.250 nan 0.000 0.447 622 A N 1.172 124.032 122.820 0.067 0.000 1.978 622 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 622 A C 1.864 179.459 177.584 0.018 0.000 1.170 622 A CA 1.609 53.669 52.037 0.038 0.000 0.636 622 A CB -0.259 18.753 19.000 0.021 0.000 0.810 622 A HN 0.335 nan 8.150 nan 0.000 0.448 623 K N -1.746 118.643 120.400 -0.018 0.000 2.137 623 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 623 K C 1.796 178.357 176.600 -0.065 0.000 1.052 623 K CA 1.138 57.375 56.287 -0.083 0.000 0.961 623 K CB -0.286 32.172 32.500 -0.071 0.000 0.741 623 K HN 0.558 nan 8.250 nan 0.000 0.452 624 Y N 1.583 121.990 120.300 0.177 0.000 2.181 624 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 624 Y C 2.142 178.101 175.900 0.098 0.000 1.146 624 Y CA 0.864 59.070 58.100 0.177 0.000 1.164 624 Y CB -0.527 38.020 38.460 0.145 0.000 0.982 624 Y HN -0.021 nan 8.280 nan 0.000 0.515 625 I N -0.613 120.078 120.570 0.201 0.000 2.179 625 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 625 I C 2.542 178.738 176.117 0.131 0.000 1.088 625 I CA 1.319 62.694 61.300 0.125 0.000 1.357 625 I CB -0.603 37.438 38.000 0.068 0.000 1.051 625 I HN 0.202 nan 8.210 nan 0.000 0.409 626 A N 0.415 123.266 122.820 0.052 0.000 1.898 626 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 626 A C 2.316 179.877 177.584 -0.039 0.000 1.181 626 A CA 1.250 53.284 52.037 -0.006 0.000 0.620 626 A CB -0.307 18.659 19.000 -0.056 0.000 0.819 626 A HN 0.193 nan 8.150 nan 0.000 0.442 627 K N -1.318 119.027 120.400 -0.092 0.000 2.097 627 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 627 K C 1.851 178.459 176.600 0.013 0.000 1.049 627 K CA 1.547 57.742 56.287 -0.152 0.000 0.933 627 K CB -0.512 31.777 32.500 -0.352 0.000 0.717 627 K HN 0.694 nan 8.250 nan 0.000 0.442 628 Y N 2.394 122.693 120.300 -0.002 0.000 2.163 628 Y HA -0.166 4.384 4.550 -0.000 0.000 0.288 628 Y C 2.105 177.999 175.900 -0.010 0.000 1.136 628 Y CA 1.548 59.663 58.100 0.025 0.000 1.147 628 Y CB 0.087 38.542 38.460 -0.007 0.000 0.987 628 Y HN 0.003 nan 8.280 nan 0.000 0.509 629 E N 0.650 120.861 120.200 0.018 0.000 2.150 629 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 629 E C 1.967 178.503 176.600 -0.106 0.000 0.985 629 E CA 1.436 57.798 56.400 -0.063 0.000 0.814 629 E CB -0.192 29.534 29.700 0.044 0.000 0.752 629 E HN 0.699 nan 8.360 nan 0.000 0.466 630 E N 0.332 120.485 120.200 -0.077 0.000 2.038 630 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 630 E C 2.036 178.597 176.600 -0.065 0.000 1.000 630 E CA 0.808 57.168 56.400 -0.068 0.000 0.803 630 E CB -0.077 29.580 29.700 -0.072 0.000 0.750 630 E HN 0.047 nan 8.360 nan 0.000 0.448 631 L N 0.593 121.777 121.223 -0.065 0.000 2.046 631 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 631 L C 2.251 179.137 176.870 0.026 0.000 1.077 631 L CA 1.925 56.762 54.840 -0.005 0.000 0.747 631 L CB -1.041 41.059 42.059 0.068 0.000 0.896 631 L HN 0.108 nan 8.230 nan 0.000 0.432 632 A N -0.931 121.792 122.820 -0.162 0.000 1.872 632 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 632 A C 2.465 179.998 177.584 -0.085 0.000 1.187 632 A CA 1.768 53.659 52.037 -0.243 0.000 0.614 632 A CB -0.896 17.658 19.000 -0.744 0.000 0.826 632 A HN 0.527 nan 8.150 nan 0.000 0.442 633 S N 0.287 115.936 115.700 -0.085 0.000 2.400 633 S HA -0.148 4.322 4.470 -0.000 0.000 0.232 633 S C 1.805 176.391 174.600 -0.024 0.000 1.025 633 S CA 1.693 59.867 58.200 -0.043 0.000 0.993 633 S CB -0.701 62.477 63.200 -0.038 0.000 0.808 633 S HN 0.448 nan 8.310 nan 0.000 0.478 634 L N 1.120 122.333 121.223 -0.017 0.000 2.127 634 L HA 0.210 4.550 4.340 -0.000 0.000 0.203 634 L C 3.057 179.929 176.870 0.003 0.000 1.080 634 L CA 0.864 55.699 54.840 -0.008 0.000 0.768 634 L CB -1.266 40.789 42.059 -0.008 0.000 0.924 634 L HN 0.474 nan 8.230 nan 0.000 0.444 635 G N 0.318 109.143 108.800 0.041 0.000 2.440 635 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 635 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 635 G C 1.368 176.297 174.900 0.049 0.000 1.154 635 G CA 0.770 45.923 45.100 0.088 0.000 0.767 635 G HN 0.292 nan 8.290 nan 0.000 0.552 636 N N 0.624 119.350 118.700 0.044 0.000 2.166 636 N HA -0.036 4.704 4.740 -0.000 0.000 0.186 636 N C 2.184 177.665 175.510 -0.049 0.000 1.019 636 N CA 0.618 53.671 53.050 0.006 0.000 0.856 636 N CB -0.229 38.259 38.487 0.001 0.000 0.993 636 N HN 0.352 nan 8.380 nan 0.000 0.426 637 I N 0.688 121.230 120.570 -0.047 0.000 2.179 637 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 637 I C 1.893 177.951 176.117 -0.097 0.000 1.088 637 I CA 1.056 62.322 61.300 -0.056 0.000 1.357 637 I CB -0.168 37.812 38.000 -0.033 0.000 1.051 637 I HN 0.043 nan 8.210 nan 0.000 0.409 638 I N 0.262 120.750 120.570 -0.135 0.000 2.252 638 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 638 I C 2.748 178.577 176.117 -0.481 0.000 1.102 638 I CA 1.044 62.211 61.300 -0.221 0.000 1.385 638 I CB -0.402 37.486 38.000 -0.187 0.000 1.064 638 I HN 0.159 nan 8.210 nan 0.000 0.414 639 R N 1.308 121.440 120.500 -0.613 0.000 2.112 639 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 639 R C 2.305 178.456 176.300 -0.249 0.000 1.137 639 R CA 2.119 57.867 56.100 -0.586 0.000 0.944 639 R CB -0.872 29.332 30.300 -0.159 0.000 0.857 639 R HN 0.400 nan 8.270 nan 0.000 0.435 640 G N 0.117 108.817 108.800 -0.167 0.000 2.450 640 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 640 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 640 G C 1.380 176.179 174.900 -0.168 0.000 1.130 640 G CA 0.842 45.870 45.100 -0.120 0.000 0.760 640 G HN 0.359 nan 8.290 nan 0.000 0.557 641 R N -1.053 119.318 120.500 -0.215 0.000 2.061 641 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 641 R C 2.275 178.198 176.300 -0.627 0.000 1.140 641 R CA 1.247 57.187 56.100 -0.266 0.000 0.940 641 R CB -0.766 29.462 30.300 -0.120 0.000 0.839 641 R HN 0.467 nan 8.270 nan 0.000 0.429 642 Y N 1.940 121.611 120.300 -1.048 0.000 2.030 642 Y HA -0.315 4.235 4.550 -0.000 0.000 0.272 642 Y C 1.998 177.561 175.900 -0.562 0.000 1.185 642 Y CA 1.855 59.224 58.100 -1.220 0.000 1.120 642 Y CB -0.339 37.765 38.460 -0.593 0.000 0.955 642 Y HN -0.015 nan 8.280 nan 0.000 0.495 643 L N -0.218 120.765 121.223 -0.400 0.000 2.191 643 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 643 L C 2.744 179.447 176.870 -0.277 0.000 1.103 643 L CA 0.919 55.568 54.840 -0.319 0.000 0.769 643 L CB -0.920 41.080 42.059 -0.099 0.000 0.908 643 L HN 0.421 nan 8.230 nan 0.000 0.438 644 A N 0.605 123.271 122.820 -0.257 0.000 1.897 644 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 644 A C 2.646 180.134 177.584 -0.160 0.000 1.181 644 A CA 1.829 53.764 52.037 -0.170 0.000 0.620 644 A CB -0.543 18.384 19.000 -0.122 0.000 0.821 644 A HN 0.321 nan 8.150 nan 0.000 0.443 645 K N 0.058 120.329 120.400 -0.215 0.000 2.288 645 K HA -0.033 4.287 4.320 -0.000 0.000 0.201 645 K C 1.695 178.222 176.600 -0.121 0.000 1.048 645 K CA 1.531 57.767 56.287 -0.083 0.000 0.956 645 K CB -0.456 32.122 32.500 0.130 0.000 0.746 645 K HN 0.588 nan 8.250 nan 0.000 0.461 646 E N 0.396 120.434 120.200 -0.269 0.000 2.028 646 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 646 E C 1.955 178.474 176.600 -0.135 0.000 0.984 646 E CA 0.655 56.912 56.400 -0.237 0.000 0.800 646 E CB -0.067 29.399 29.700 -0.390 0.000 0.758 646 E HN 0.555 nan 8.360 nan 0.000 0.448 647 E N 0.898 121.019 120.200 -0.131 0.000 2.147 647 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 647 E C 1.835 178.403 176.600 -0.054 0.000 1.005 647 E CA 1.359 57.711 56.400 -0.081 0.000 0.810 647 E CB 0.000 29.655 29.700 -0.076 0.000 0.736 647 E HN 0.527 nan 8.360 nan 0.000 0.460 648 E N 0.243 120.413 120.200 -0.050 0.000 2.474 648 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 648 E C 1.622 178.212 176.600 -0.017 0.000 1.041 648 E CA 0.267 56.651 56.400 -0.028 0.000 0.874 648 E CB -0.052 29.636 29.700 -0.020 0.000 0.914 648 E HN 0.175 nan 8.360 nan 0.000 0.498 649 K N 0.485 120.873 120.400 -0.020 0.000 2.334 649 K HA 0.178 4.498 4.320 -0.000 0.000 0.195 649 K C 2.263 178.855 176.600 -0.013 0.000 1.045 649 K CA 0.635 56.916 56.287 -0.011 0.000 1.004 649 K CB -0.001 32.497 32.500 -0.002 0.000 0.837 649 K HN 0.046 nan 8.250 nan 0.000 0.510 650 K N 1.196 121.583 120.400 -0.022 0.000 2.211 650 K HA -0.080 4.240 4.320 -0.000 0.000 0.203 650 K C 2.333 178.924 176.600 -0.015 0.000 1.050 650 K CA 1.763 58.039 56.287 -0.019 0.000 0.945 650 K CB -1.346 31.138 32.500 -0.026 0.000 0.732 650 K HN 0.528 nan 8.250 nan 0.000 0.451 651 Q N -0.327 119.463 119.800 -0.016 0.000 2.245 651 Q HA 0.453 4.793 4.340 -0.000 0.000 0.201 651 Q C 2.541 178.536 176.000 -0.008 0.000 0.955 651 Q CA 1.486 57.281 55.803 -0.013 0.000 0.870 651 Q CB -0.562 28.167 28.738 -0.014 0.000 0.945 651 Q HN 0.873 nan 8.270 nan 0.000 0.461 652 A N 0.500 123.316 122.820 -0.007 0.000 2.016 652 A HA 0.269 4.589 4.320 -0.000 0.000 0.217 652 A C 2.531 180.113 177.584 -0.003 0.000 1.162 652 A CA 1.790 53.825 52.037 -0.004 0.000 0.662 652 A CB -0.847 18.152 19.000 -0.001 0.000 0.812 652 A HN 1.197 nan 8.150 nan 0.000 0.450 653 I N -0.382 120.186 120.570 -0.004 0.000 2.179 653 I HA -0.061 4.109 4.170 -0.000 0.000 0.242 653 I C 2.865 178.980 176.117 -0.003 0.000 1.088 653 I CA 2.742 64.040 61.300 -0.002 0.000 1.357 653 I CB -2.125 35.873 38.000 -0.003 0.000 1.051 653 I HN 0.619 nan 8.210 nan 0.000 0.409 654 R N 0.896 121.394 120.500 -0.004 0.000 2.120 654 R HA 0.190 4.530 4.340 -0.000 0.000 0.234 654 R C 1.916 178.214 176.300 -0.003 0.000 1.123 654 R CA 1.888 57.986 56.100 -0.004 0.000 0.975 654 R CB -1.773 28.524 30.300 -0.005 0.000 0.866 654 R HN 1.397 nan 8.270 nan 0.000 0.446 655 S N 0.000 115.698 115.700 -0.003 0.000 2.498 655 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 655 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 655 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 655 S HN 0.000 nan 8.310 nan 0.000 0.517