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 1fnz_1_A DATA FIRST_RESID 1 DATA SEQUENCE TGSLSFSFPK FAPNQPYLIN QGDALVTSTG VLQLTNVVNG VPSSKSLGRA DATA SEQUENCE LYAAPFQIWD STTGNVASFV TSFTFIIQAP NPATTADGLA FFLAPVDTQP DATA SEQUENCE LDLGGMLGIF KXXXFNKSNQ IVAVEFDTFS NGDWDPKGRH LGINVNSIES DATA SEQUENCE IKTVPWNWTN GEVANVFISY EASTKSLTAS LVYPSLETSF IIDAIVDVKI DATA SEQUENCE VLPEWVRFGF SATTGIDKGY VQTNDVLSWS FESNLPG 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.722 174.700 0.037 0.000 1.109 1 T CA 0.000 62.109 62.100 0.016 0.000 1.349 1 T CB 0.000 68.889 68.868 0.035 0.000 0.612 2 G N 0.966 109.788 108.800 0.035 0.000 2.356 2 G HA2 0.580 4.540 3.960 0.000 0.000 0.288 2 G HA3 0.580 4.540 3.960 0.000 0.000 0.288 2 G C -1.300 173.636 174.900 0.060 0.000 1.302 2 G CA 0.173 45.312 45.100 0.065 0.000 0.887 2 G HN 1.718 nan 8.290 nan 0.000 0.521 3 S N -1.679 114.071 115.700 0.083 0.000 2.596 3 S HA 0.876 5.346 4.470 0.000 0.000 0.270 3 S C -1.709 172.948 174.600 0.095 0.000 1.155 3 S CA -0.491 57.744 58.200 0.058 0.000 0.827 3 S CB 2.120 65.329 63.200 0.016 0.000 1.130 3 S HN 2.315 nan 8.310 nan 0.000 0.467 4 L N 1.093 122.346 121.223 0.050 0.000 2.565 4 L HA 0.855 5.195 4.340 0.000 0.000 0.261 4 L C -1.101 175.764 176.870 -0.009 0.000 0.932 4 L CA 0.382 55.286 54.840 0.106 0.000 0.878 4 L CB 1.868 44.074 42.059 0.244 0.000 1.333 4 L HN 1.360 nan 8.230 nan 0.000 0.409 5 S N 3.099 118.794 115.700 -0.008 0.000 2.570 5 S HA 0.967 5.437 4.470 0.000 0.000 0.270 5 S C -1.044 173.505 174.600 -0.084 0.000 1.149 5 S CA -0.415 57.688 58.200 -0.161 0.000 0.837 5 S CB 1.877 64.974 63.200 -0.172 0.000 1.124 5 S HN 1.414 nan 8.310 nan 0.000 0.465 6 F N -1.737 118.081 119.950 -0.220 0.000 2.807 6 F HA 0.876 5.403 4.527 0.000 0.000 0.316 6 F C -1.035 174.502 175.800 -0.440 0.000 1.162 6 F CA -0.688 57.072 58.000 -0.399 0.000 0.910 6 F CB 1.121 39.772 39.000 -0.581 0.000 1.314 6 F HN 0.841 nan 8.300 nan 0.000 0.454 7 S N 0.779 116.332 115.700 -0.245 0.000 2.603 7 S HA 0.766 5.236 4.470 0.000 0.000 0.274 7 S C -2.275 172.019 174.600 -0.509 0.000 1.168 7 S CA -0.373 57.696 58.200 -0.218 0.000 0.963 7 S CB 0.579 63.697 63.200 -0.136 0.000 1.078 7 S HN 0.594 nan 8.310 nan 0.000 0.477 8 F N 5.798 125.792 119.950 0.074 0.000 2.532 8 F HA 0.424 4.951 4.527 0.000 0.000 0.365 8 F C -1.543 174.180 175.800 -0.127 0.000 1.112 8 F CA -1.824 56.113 58.000 -0.105 0.000 1.082 8 F CB 2.021 40.890 39.000 -0.218 0.000 1.319 8 F HN 0.369 nan 8.300 nan 0.000 0.457 9 P HA -0.122 nan 4.420 nan 0.000 0.222 9 P C -0.359 176.939 177.300 -0.002 0.000 1.147 9 P CA 1.232 64.354 63.100 0.037 0.000 0.790 9 P CB 0.524 32.243 31.700 0.032 0.000 0.780 10 K N -2.088 118.268 120.400 -0.072 0.000 2.571 10 K HA 0.475 4.795 4.320 0.000 0.000 0.289 10 K C -1.483 174.986 176.600 -0.218 0.000 1.028 10 K CA -0.961 55.265 56.287 -0.100 0.000 0.895 10 K CB 0.500 33.033 32.500 0.056 0.000 1.534 10 K HN -0.276 nan 8.250 nan 0.000 0.421 11 F N 0.701 120.778 119.950 0.212 0.000 2.443 11 F HA 0.580 5.108 4.527 0.000 0.000 0.335 11 F C 0.094 176.010 175.800 0.194 0.000 1.104 11 F CA -0.774 57.362 58.000 0.226 0.000 1.013 11 F CB 2.241 41.341 39.000 0.167 0.000 1.136 11 F HN 0.707 nan 8.300 nan 0.000 0.470 12 A N 4.973 128.056 122.820 0.438 0.000 2.274 12 A HA 0.667 4.987 4.320 0.000 0.000 0.309 12 A C -2.479 175.229 177.584 0.207 0.000 1.226 12 A CA -1.661 50.550 52.037 0.290 0.000 0.853 12 A CB 0.058 19.234 19.000 0.293 0.000 1.146 12 A HN 0.442 nan 8.150 nan 0.000 0.518 13 P HA 0.148 nan 4.420 nan 0.000 0.274 13 P C -0.610 176.695 177.300 0.008 0.000 1.237 13 P CA -0.224 62.896 63.100 0.033 0.000 0.793 13 P CB 0.483 32.203 31.700 0.033 0.000 0.977 14 N N -0.998 117.676 118.700 -0.044 0.000 2.735 14 N HA -0.140 4.600 4.740 0.000 0.000 0.248 14 N C -0.601 174.886 175.510 -0.039 0.000 1.083 14 N CA 0.917 53.940 53.050 -0.045 0.000 0.703 14 N CB -1.237 37.242 38.487 -0.014 0.000 1.005 14 N HN 0.578 nan 8.380 nan 0.000 0.550 15 Q N -0.212 119.536 119.800 -0.087 0.000 2.310 15 Q HA 0.325 4.665 4.340 0.000 0.000 0.270 15 Q C -1.765 174.120 176.000 -0.192 0.000 1.025 15 Q CA -1.386 54.397 55.803 -0.034 0.000 0.772 15 Q CB 1.784 30.636 28.738 0.189 0.000 1.253 15 Q HN 0.021 nan 8.270 nan 0.000 0.450 16 P HA -0.105 nan 4.420 nan 0.000 0.274 16 P C 0.330 177.541 177.300 -0.148 0.000 1.370 16 P CA 0.676 63.692 63.100 -0.140 0.000 0.760 16 P CB -0.401 31.252 31.700 -0.077 0.000 1.308 17 Y N -1.673 118.547 120.300 -0.134 0.000 2.544 17 Y HA 0.346 4.896 4.550 0.000 0.000 0.286 17 Y C 0.603 176.329 175.900 -0.289 0.000 1.141 17 Y CA -0.632 57.342 58.100 -0.210 0.000 1.299 17 Y CB -0.489 37.935 38.460 -0.061 0.000 1.030 17 Y HN -0.192 nan 8.280 nan 0.000 0.543 18 L N 1.476 122.385 121.223 -0.523 0.000 2.354 18 L HA 0.499 4.840 4.340 0.000 0.000 0.269 18 L C -0.821 175.879 176.870 -0.283 0.000 1.005 18 L CA -1.066 53.561 54.840 -0.355 0.000 0.819 18 L CB 2.762 44.567 42.059 -0.422 0.000 1.311 18 L HN -0.044 nan 8.230 nan 0.000 0.423 19 I N 2.305 122.751 120.570 -0.208 0.000 2.330 19 I HA 0.234 4.404 4.170 0.000 0.000 0.286 19 I C -0.265 175.765 176.117 -0.145 0.000 1.025 19 I CA -0.203 60.995 61.300 -0.170 0.000 1.197 19 I CB 0.964 38.874 38.000 -0.151 0.000 1.358 19 I HN 0.601 nan 8.210 nan 0.000 0.467 20 N N 6.687 125.300 118.700 -0.145 0.000 2.488 20 N HA 0.312 5.052 4.740 0.000 0.000 0.274 20 N C -0.827 174.626 175.510 -0.095 0.000 1.111 20 N CA -0.429 52.545 53.050 -0.126 0.000 0.974 20 N CB 0.985 39.392 38.487 -0.133 0.000 1.089 20 N HN 0.549 nan 8.380 nan 0.000 0.465 21 Q N 0.851 120.603 119.800 -0.080 0.000 2.413 21 Q HA 0.479 4.820 4.340 0.000 0.000 0.276 21 Q C 0.453 176.415 176.000 -0.063 0.000 1.099 21 Q CA -0.868 54.896 55.803 -0.065 0.000 0.814 21 Q CB 2.421 31.127 28.738 -0.053 0.000 1.379 21 Q HN 0.756 nan 8.270 nan 0.000 0.436 22 G N 1.919 110.685 108.800 -0.057 0.000 2.574 22 G HA2 -0.313 3.647 3.960 0.000 0.000 0.286 22 G HA3 -0.313 3.647 3.960 0.000 0.000 0.286 22 G C -0.058 174.810 174.900 -0.053 0.000 1.212 22 G CA 0.364 45.432 45.100 -0.054 0.000 0.979 22 G HN 0.764 nan 8.290 nan 0.000 0.557 23 D N 1.824 122.194 120.400 -0.050 0.000 2.349 23 D HA 0.388 5.028 4.640 0.000 0.000 0.224 23 D C 1.547 177.813 176.300 -0.056 0.000 1.029 23 D CA 0.920 54.892 54.000 -0.047 0.000 0.879 23 D CB -0.311 40.466 40.800 -0.038 0.000 0.906 23 D HN 0.892 nan 8.370 nan 0.000 0.528 24 A N 1.000 123.779 122.820 -0.068 0.000 2.531 24 A HA 0.371 4.691 4.320 0.000 0.000 0.236 24 A C 0.145 177.673 177.584 -0.093 0.000 1.062 24 A CA 0.152 52.136 52.037 -0.087 0.000 0.760 24 A CB -0.151 18.787 19.000 -0.102 0.000 0.995 24 A HN 0.307 nan 8.150 nan 0.000 0.501 25 L N -0.136 121.026 121.223 -0.101 0.000 2.671 25 L HA 0.780 5.120 4.340 0.000 0.000 0.259 25 L C -1.027 175.781 176.870 -0.104 0.000 1.021 25 L CA -0.876 53.907 54.840 -0.095 0.000 0.871 25 L CB 1.558 43.580 42.059 -0.062 0.000 1.472 25 L HN 0.316 nan 8.230 nan 0.000 0.410 26 V N 0.883 120.744 119.914 -0.087 0.000 2.370 26 V HA 0.618 4.738 4.120 0.000 0.000 0.283 26 V C 0.643 176.734 176.094 -0.006 0.000 1.023 26 V CA 0.164 62.430 62.300 -0.056 0.000 0.857 26 V CB 1.415 33.209 31.823 -0.049 0.000 0.985 26 V HN 1.062 nan 8.190 nan 0.000 0.443 27 T N 1.405 115.971 114.554 0.020 0.000 2.813 27 T HA 0.105 4.456 4.350 0.000 0.000 0.297 27 T C 1.485 176.216 174.700 0.052 0.000 1.036 27 T CA 0.178 62.298 62.100 0.033 0.000 1.044 27 T CB 1.084 69.977 68.868 0.043 0.000 0.993 27 T HN 0.823 nan 8.240 nan 0.000 0.535 28 S N 0.082 115.809 115.700 0.045 0.000 2.442 28 S HA -0.133 4.337 4.470 0.000 0.000 0.236 28 S C 1.864 176.503 174.600 0.065 0.000 1.007 28 S CA 1.126 59.356 58.200 0.050 0.000 0.965 28 S CB -1.436 61.787 63.200 0.038 0.000 0.773 28 S HN 1.030 nan 8.310 nan 0.000 0.504 29 T N -2.392 112.204 114.554 0.070 0.000 3.148 29 T HA 0.461 4.811 4.350 0.000 0.000 0.253 29 T C 1.475 176.242 174.700 0.112 0.000 1.134 29 T CA 0.440 62.588 62.100 0.081 0.000 1.051 29 T CB -0.419 68.494 68.868 0.074 0.000 0.959 29 T HN 1.205 nan 8.240 nan 0.000 0.525 30 G N 0.481 109.362 108.800 0.134 0.000 2.137 30 G HA2 -0.187 3.774 3.960 0.000 0.000 0.237 30 G HA3 -0.187 3.774 3.960 0.000 0.000 0.237 30 G C -0.095 174.978 174.900 0.288 0.000 1.002 30 G CA -0.125 45.098 45.100 0.205 0.000 0.702 30 G HN 0.676 nan 8.290 nan 0.000 0.515 31 V N 0.915 120.953 119.914 0.205 0.000 2.427 31 V HA 0.611 4.731 4.120 0.000 0.000 0.286 31 V C 0.572 176.711 176.094 0.076 0.000 1.034 31 V CA -0.853 61.566 62.300 0.199 0.000 0.893 31 V CB 1.714 33.613 31.823 0.126 0.000 0.982 31 V HN 0.439 nan 8.190 nan 0.000 0.452 32 L N 5.120 126.314 121.223 -0.049 0.000 2.312 32 L HA 0.336 4.677 4.340 0.000 0.000 0.287 32 L C 0.254 177.014 176.870 -0.182 0.000 1.091 32 L CA 0.564 55.209 54.840 -0.325 0.000 0.846 32 L CB 0.479 42.037 42.059 -0.835 0.000 1.219 32 L HN 0.782 nan 8.230 nan 0.000 0.439 33 Q N 4.308 124.038 119.800 -0.117 0.000 2.441 33 Q HA 0.195 4.535 4.340 0.000 0.000 0.234 33 Q C 0.602 176.550 176.000 -0.087 0.000 1.078 33 Q CA -0.202 55.560 55.803 -0.068 0.000 0.907 33 Q CB 0.671 29.390 28.738 -0.032 0.000 1.269 33 Q HN 0.893 nan 8.270 nan 0.000 0.502 34 L N 1.768 122.933 121.223 -0.096 0.000 2.017 34 L HA -0.076 4.264 4.340 0.000 0.000 0.208 34 L C 1.195 178.032 176.870 -0.056 0.000 1.073 34 L CA 1.164 55.951 54.840 -0.088 0.000 0.745 34 L CB -0.342 41.662 42.059 -0.091 0.000 0.894 34 L HN 0.586 nan 8.230 nan 0.000 0.432 35 T N -3.254 111.279 114.554 -0.035 0.000 2.918 35 T HA 0.276 4.626 4.350 0.000 0.000 0.286 35 T C -0.172 174.520 174.700 -0.014 0.000 1.026 35 T CA -0.839 61.247 62.100 -0.023 0.000 1.031 35 T CB 1.341 70.202 68.868 -0.012 0.000 1.046 35 T HN 0.054 nan 8.240 nan 0.000 0.479 36 N N 0.297 118.988 118.700 -0.014 0.000 2.412 36 N HA 0.353 5.093 4.740 0.000 0.000 0.254 36 N C -0.932 174.579 175.510 0.002 0.000 1.232 36 N CA -0.175 52.870 53.050 -0.009 0.000 0.880 36 N CB 0.445 38.926 38.487 -0.011 0.000 1.076 36 N HN 0.370 nan 8.380 nan 0.000 0.458 37 V N 2.744 122.661 119.914 0.004 0.000 2.577 37 V HA 0.280 4.400 4.120 0.000 0.000 0.303 37 V C -0.357 175.743 176.094 0.009 0.000 1.042 37 V CA -0.778 61.529 62.300 0.012 0.000 0.872 37 V CB 1.947 33.782 31.823 0.020 0.000 0.998 37 V HN 0.286 nan 8.190 nan 0.000 0.423 38 V N 4.370 124.291 119.914 0.010 0.000 2.326 38 V HA 0.438 4.558 4.120 0.000 0.000 0.281 38 V C 0.672 176.772 176.094 0.011 0.000 1.015 38 V CA -0.379 61.926 62.300 0.008 0.000 0.823 38 V CB 0.624 32.450 31.823 0.006 0.000 1.009 38 V HN 1.088 nan 8.190 nan 0.000 0.436 39 N N 3.952 122.659 118.700 0.012 0.000 2.738 39 N HA -0.237 4.503 4.740 0.000 0.000 0.249 39 N C 1.142 176.662 175.510 0.017 0.000 1.047 39 N CA 0.694 53.752 53.050 0.013 0.000 0.707 39 N CB -0.707 37.786 38.487 0.011 0.000 0.937 39 N HN 1.351 nan 8.380 nan 0.000 0.545 40 G N -1.842 106.971 108.800 0.021 0.000 2.284 40 G HA2 -0.315 3.645 3.960 0.000 0.000 0.247 40 G HA3 -0.315 3.645 3.960 0.000 0.000 0.247 40 G C 0.084 175.001 174.900 0.029 0.000 1.012 40 G CA 0.337 45.453 45.100 0.026 0.000 0.618 40 G HN 0.523 nan 8.290 nan 0.000 0.521 41 V N 4.139 124.067 119.914 0.023 0.000 2.383 41 V HA 0.486 4.606 4.120 0.000 0.000 0.275 41 V C -1.391 174.716 176.094 0.022 0.000 1.036 41 V CA -1.406 60.908 62.300 0.023 0.000 0.889 41 V CB 1.522 33.355 31.823 0.017 0.000 0.985 41 V HN 0.283 nan 8.190 nan 0.000 0.459 42 P HA 0.150 nan 4.420 nan 0.000 0.271 42 P C -0.259 177.050 177.300 0.015 0.000 1.216 42 P CA 0.021 63.134 63.100 0.023 0.000 0.776 42 P CB 1.060 32.780 31.700 0.032 0.000 0.881 43 S N 1.554 117.259 115.700 0.009 0.000 2.687 43 S HA 0.516 4.986 4.470 0.000 0.000 0.283 43 S C 0.441 175.043 174.600 0.003 0.000 1.170 43 S CA -0.598 57.605 58.200 0.005 0.000 1.008 43 S CB 0.573 63.774 63.200 0.001 0.000 1.026 43 S HN 0.580 nan 8.310 nan 0.000 0.541 44 S N 0.135 115.836 115.700 0.002 0.000 2.681 44 S HA 0.454 4.924 4.470 0.000 0.000 0.270 44 S C -0.139 174.454 174.600 -0.011 0.000 1.209 44 S CA -0.907 57.292 58.200 -0.001 0.000 0.988 44 S CB -0.209 62.994 63.200 0.005 0.000 1.006 44 S HN 0.839 nan 8.310 nan 0.000 0.558 45 K N -0.930 119.458 120.400 -0.020 0.000 3.035 45 K HA -0.149 4.171 4.320 0.000 0.000 0.262 45 K C -0.182 176.405 176.600 -0.023 0.000 1.024 45 K CA 0.804 57.077 56.287 -0.024 0.000 0.748 45 K CB -1.983 30.504 32.500 -0.021 0.000 1.247 45 K HN 0.577 nan 8.250 nan 0.000 0.482 46 S N 0.357 116.044 115.700 -0.022 0.000 2.608 46 S HA 0.772 5.242 4.470 0.000 0.000 0.291 46 S C -0.747 173.835 174.600 -0.030 0.000 1.146 46 S CA -0.854 57.332 58.200 -0.024 0.000 1.043 46 S CB 1.212 64.401 63.200 -0.018 0.000 1.037 46 S HN 0.337 nan 8.310 nan 0.000 0.520 47 L N 3.241 124.442 121.223 -0.036 0.000 2.505 47 L HA 0.778 5.118 4.340 0.000 0.000 0.266 47 L C -0.575 176.264 176.870 -0.052 0.000 0.954 47 L CA -0.171 54.641 54.840 -0.046 0.000 0.852 47 L CB 1.546 43.574 42.059 -0.052 0.000 1.282 47 L HN 0.844 nan 8.230 nan 0.000 0.403 48 G N 4.307 113.073 108.800 -0.056 0.000 2.682 48 G HA2 0.725 4.685 3.960 0.000 0.000 0.300 48 G HA3 0.725 4.685 3.960 0.000 0.000 0.300 48 G C -1.758 173.108 174.900 -0.057 0.000 1.391 48 G CA -0.675 44.389 45.100 -0.059 0.000 0.990 48 G HN 0.565 nan 8.290 nan 0.000 0.501 49 R N -0.200 120.270 120.500 -0.051 0.000 2.808 49 R HA 0.828 5.168 4.340 0.000 0.000 0.272 49 R C -1.192 175.088 176.300 -0.034 0.000 0.995 49 R CA -1.054 55.038 56.100 -0.014 0.000 0.917 49 R CB 2.683 32.989 30.300 0.010 0.000 1.217 49 R HN 0.810 nan 8.270 nan 0.000 0.471 50 A N 2.500 125.309 122.820 -0.018 0.000 2.429 50 A HA 0.568 4.888 4.320 0.000 0.000 0.289 50 A C -1.113 176.405 177.584 -0.111 0.000 1.043 50 A CA -0.667 51.326 52.037 -0.074 0.000 0.722 50 A CB 1.008 19.951 19.000 -0.095 0.000 1.243 50 A HN 0.522 nan 8.150 nan 0.000 0.415 51 L N 1.710 122.856 121.223 -0.128 0.000 2.333 51 L HA 0.497 4.837 4.340 0.000 0.000 0.269 51 L C -0.245 176.555 176.870 -0.117 0.000 1.010 51 L CA -1.077 53.642 54.840 -0.202 0.000 0.818 51 L CB 1.455 43.379 42.059 -0.225 0.000 1.306 51 L HN 0.772 nan 8.230 nan 0.000 0.430 52 Y N 0.996 121.090 120.300 -0.344 0.000 2.480 52 Y HA 0.127 4.677 4.550 0.000 0.000 0.338 52 Y C 1.131 176.891 175.900 -0.233 0.000 1.220 52 Y CA 0.283 58.198 58.100 -0.308 0.000 1.430 52 Y CB 1.463 39.536 38.460 -0.646 0.000 1.311 52 Y HN 0.721 nan 8.280 nan 0.000 0.575 53 A N 4.814 127.144 122.820 -0.817 0.000 1.940 53 A HA 0.116 4.436 4.320 0.000 0.000 0.219 53 A C 1.075 178.437 177.584 -0.370 0.000 1.176 53 A CA 1.399 53.118 52.037 -0.529 0.000 0.631 53 A CB -1.051 17.656 19.000 -0.489 0.000 0.814 53 A HN 0.879 nan 8.150 nan 0.000 0.446 54 A N -0.161 122.412 122.820 -0.412 0.000 2.325 54 A HA 0.671 4.991 4.320 0.000 0.000 0.333 54 A C -2.468 175.312 177.584 0.327 0.000 1.155 54 A CA -1.883 50.175 52.037 0.037 0.000 0.814 54 A CB 0.861 19.966 19.000 0.176 0.000 1.206 54 A HN 0.265 nan 8.150 nan 0.000 0.482 55 P HA 0.633 nan 4.420 nan 0.000 0.284 55 P C -1.030 176.700 177.300 0.718 0.000 1.292 55 P CA -0.211 63.186 63.100 0.495 0.000 0.800 55 P CB 0.839 32.743 31.700 0.340 0.000 1.188 56 F N -2.910 117.295 119.950 0.425 0.000 2.613 56 F HA 0.544 5.071 4.527 0.000 0.000 0.314 56 F C -0.634 175.026 175.800 -0.234 0.000 1.075 56 F CA -1.445 56.670 58.000 0.192 0.000 0.945 56 F CB 1.518 40.575 39.000 0.096 0.000 1.310 56 F HN 0.198 nan 8.300 nan 0.000 0.467 57 Q N 2.856 122.167 119.800 -0.815 0.000 2.314 57 Q HA 0.341 4.681 4.340 0.000 0.000 0.257 57 Q C 0.165 175.800 176.000 -0.609 0.000 0.975 57 Q CA -0.251 54.747 55.803 -1.342 0.000 0.933 57 Q CB 1.363 29.083 28.738 -1.698 0.000 1.195 57 Q HN 0.994 nan 8.270 nan 0.000 0.426 58 I N 5.620 125.812 120.570 -0.629 0.000 3.603 58 I HA 0.132 4.302 4.170 0.000 0.000 0.297 58 I C -0.698 175.508 176.117 0.147 0.000 1.269 58 I CA 0.069 61.269 61.300 -0.166 0.000 1.361 58 I CB 0.298 38.159 38.000 -0.232 0.000 1.063 58 I HN 0.637 nan 8.210 nan 0.000 0.448 59 W N 0.105 121.288 121.300 -0.196 0.000 3.275 59 W HA 0.355 5.015 4.660 0.000 0.000 0.306 59 W C -2.280 174.166 176.519 -0.122 0.000 1.259 59 W CA -1.071 56.217 57.345 -0.096 0.000 1.194 59 W CB 0.141 29.580 29.460 -0.036 0.000 1.375 59 W HN -0.272 nan 8.180 nan 0.000 0.564 60 D N 1.862 122.291 120.400 0.049 0.000 2.381 60 D HA 0.221 4.861 4.640 0.000 0.000 0.235 60 D C 1.243 177.564 176.300 0.035 0.000 1.068 60 D CA -0.015 53.919 54.000 -0.111 0.000 0.832 60 D CB 2.143 42.931 40.800 -0.019 0.000 1.101 60 D HN 0.396 nan 8.370 nan 0.000 0.515 61 S N 1.899 117.482 115.700 -0.195 0.000 2.453 61 S HA -0.108 4.362 4.470 0.000 0.000 0.231 61 S C 1.506 176.168 174.600 0.104 0.000 1.005 61 S CA 0.882 59.117 58.200 0.058 0.000 0.949 61 S CB 0.054 63.200 63.200 -0.091 0.000 0.774 61 S HN 0.451 nan 8.310 nan 0.000 0.510 62 T N 2.285 116.867 114.554 0.046 0.000 2.894 62 T HA -0.009 4.341 4.350 0.000 0.000 0.258 62 T C 2.205 176.946 174.700 0.068 0.000 1.043 62 T CA 1.712 63.844 62.100 0.053 0.000 1.141 62 T CB -0.588 68.300 68.868 0.033 0.000 0.873 62 T HN 0.824 nan 8.240 nan 0.000 0.449 63 T N -1.337 113.261 114.554 0.073 0.000 3.051 63 T HA 0.378 4.728 4.350 0.000 0.000 0.255 63 T C 1.927 176.688 174.700 0.101 0.000 1.085 63 T CA 0.982 63.126 62.100 0.074 0.000 1.109 63 T CB -0.106 68.799 68.868 0.062 0.000 0.921 63 T HN 0.506 nan 8.240 nan 0.000 0.488 64 G N 1.727 110.622 108.800 0.158 0.000 2.179 64 G HA2 -0.251 3.710 3.960 0.000 0.000 0.260 64 G HA3 -0.251 3.710 3.960 0.000 0.000 0.260 64 G C -0.009 175.000 174.900 0.181 0.000 0.977 64 G CA -0.033 45.183 45.100 0.193 0.000 0.641 64 G HN 0.631 nan 8.290 nan 0.000 0.533 65 N N -0.191 118.604 118.700 0.159 0.000 2.482 65 N HA 0.481 5.221 4.740 0.000 0.000 0.260 65 N C 0.112 175.741 175.510 0.198 0.000 1.236 65 N CA 0.186 53.318 53.050 0.137 0.000 0.938 65 N CB 1.600 40.144 38.487 0.095 0.000 1.128 65 N HN 0.189 nan 8.380 nan 0.000 0.448 66 V N 0.577 120.593 119.914 0.170 0.000 2.604 66 V HA 0.595 4.715 4.120 0.000 0.000 0.305 66 V C 0.215 176.438 176.094 0.214 0.000 1.043 66 V CA -1.103 61.335 62.300 0.229 0.000 0.888 66 V CB 1.576 33.523 31.823 0.206 0.000 0.995 66 V HN 0.795 nan 8.190 nan 0.000 0.429 67 A N 3.304 126.286 122.820 0.270 0.000 2.351 67 A HA 0.731 5.051 4.320 0.000 0.000 0.257 67 A C 0.287 178.083 177.584 0.354 0.000 1.087 67 A CA -0.129 52.072 52.037 0.273 0.000 0.798 67 A CB 0.492 19.687 19.000 0.325 0.000 1.033 67 A HN 0.767 nan 8.150 nan 0.000 0.488 68 S N -0.164 115.671 115.700 0.225 0.000 2.532 68 S HA 0.818 5.289 4.470 0.000 0.000 0.301 68 S C -0.822 173.852 174.600 0.124 0.000 1.083 68 S CA -0.308 57.974 58.200 0.136 0.000 1.025 68 S CB 0.971 64.153 63.200 -0.030 0.000 1.056 68 S HN 0.903 nan 8.310 nan 0.000 0.494 69 F N 0.235 120.154 119.950 -0.051 0.000 2.711 69 F HA 0.873 5.400 4.527 0.000 0.000 0.313 69 F C -1.188 174.423 175.800 -0.315 0.000 1.141 69 F CA -1.290 56.511 58.000 -0.330 0.000 0.941 69 F CB 0.816 39.503 39.000 -0.523 0.000 1.349 69 F HN 0.476 nan 8.300 nan 0.000 0.464 70 V N -1.337 118.407 119.914 -0.284 0.000 3.087 70 V HA 0.937 5.057 4.120 0.000 0.000 0.306 70 V C -1.199 174.752 176.094 -0.239 0.000 1.187 70 V CA -0.359 61.762 62.300 -0.299 0.000 0.999 70 V CB 1.199 32.946 31.823 -0.127 0.000 1.049 70 V HN 1.319 nan 8.190 nan 0.000 0.431 71 T N 1.515 115.980 114.554 -0.149 0.000 2.932 71 T HA 0.795 5.145 4.350 0.000 0.000 0.318 71 T C -0.870 173.959 174.700 0.214 0.000 1.265 71 T CA 0.341 62.506 62.100 0.107 0.000 1.036 71 T CB 1.701 70.733 68.868 0.272 0.000 1.209 71 T HN 2.094 nan 8.240 nan 0.000 0.484 72 S N 2.683 118.661 115.700 0.465 0.000 2.546 72 S HA 0.958 5.428 4.470 0.000 0.000 0.274 72 S C -1.206 173.827 174.600 0.720 0.000 1.121 72 S CA -0.845 57.629 58.200 0.457 0.000 0.887 72 S CB 1.562 64.998 63.200 0.393 0.000 1.094 72 S HN 1.012 nan 8.310 nan 0.000 0.474 73 F N -1.736 118.461 119.950 0.412 0.000 2.713 73 F HA 0.828 5.356 4.527 0.000 0.000 0.311 73 F C -0.809 175.156 175.800 0.275 0.000 1.141 73 F CA -0.743 57.509 58.000 0.420 0.000 0.939 73 F CB 1.084 40.369 39.000 0.476 0.000 1.325 73 F HN 0.756 nan 8.300 nan 0.000 0.453 74 T N 0.214 115.011 114.554 0.405 0.000 2.856 74 T HA 0.852 5.203 4.350 0.000 0.000 0.283 74 T C -1.091 173.821 174.700 0.353 0.000 1.008 74 T CA -0.557 61.670 62.100 0.211 0.000 0.997 74 T CB 1.869 70.822 68.868 0.143 0.000 0.992 74 T HN 1.294 nan 8.240 nan 0.000 0.454 75 F N 0.227 120.242 119.950 0.108 0.000 2.662 75 F HA 0.867 5.394 4.527 0.000 0.000 0.312 75 F C -2.139 173.747 175.800 0.143 0.000 1.113 75 F CA -1.816 56.252 58.000 0.113 0.000 0.951 75 F CB 1.243 40.299 39.000 0.094 0.000 1.344 75 F HN 0.603 nan 8.300 nan 0.000 0.462 76 I N 2.768 123.565 120.570 0.379 0.000 2.582 76 I HA 0.473 4.643 4.170 0.000 0.000 0.292 76 I C -1.182 175.216 176.117 0.468 0.000 1.066 76 I CA -0.749 60.729 61.300 0.297 0.000 1.053 76 I CB 2.375 40.490 38.000 0.192 0.000 1.241 76 I HN 0.569 nan 8.210 nan 0.000 0.421 77 I N 5.182 126.080 120.570 0.547 0.000 2.411 77 I HA 0.278 4.448 4.170 0.000 0.000 0.284 77 I C -0.721 175.740 176.117 0.573 0.000 1.012 77 I CA -0.538 61.105 61.300 0.572 0.000 1.119 77 I CB 1.803 40.230 38.000 0.710 0.000 1.261 77 I HN 0.501 nan 8.210 nan 0.000 0.448 78 Q N 5.862 125.882 119.800 0.366 0.000 2.312 78 Q HA 0.829 5.169 4.340 0.000 0.000 0.263 78 Q C -1.471 174.690 176.000 0.268 0.000 0.995 78 Q CA -0.495 55.490 55.803 0.305 0.000 0.853 78 Q CB 2.193 31.038 28.738 0.177 0.000 1.300 78 Q HN 0.724 nan 8.270 nan 0.000 0.448 79 A N 4.875 127.872 122.820 0.295 0.000 2.422 79 A HA 0.628 4.948 4.320 0.000 0.000 0.302 79 A C -2.348 175.319 177.584 0.138 0.000 1.041 79 A CA -1.503 50.649 52.037 0.191 0.000 0.708 79 A CB 1.424 20.533 19.000 0.182 0.000 1.257 79 A HN 0.755 nan 8.150 nan 0.000 0.414 80 P HA -0.105 nan 4.420 nan 0.000 0.215 80 P C 0.284 177.607 177.300 0.039 0.000 1.153 80 P CA 1.326 64.453 63.100 0.045 0.000 0.853 80 P CB 0.204 31.917 31.700 0.023 0.000 0.788 81 N N -1.033 117.682 118.700 0.025 0.000 2.626 81 N HA 0.144 4.885 4.740 0.000 0.000 0.242 81 N C -1.827 173.709 175.510 0.044 0.000 1.005 81 N CA -2.005 51.049 53.050 0.007 0.000 0.905 81 N CB 1.094 39.549 38.487 -0.053 0.000 1.128 81 N HN -0.089 nan 8.380 nan 0.000 0.512 82 P HA -0.113 nan 4.420 nan 0.000 0.229 82 P C 0.710 178.115 177.300 0.175 0.000 1.150 82 P CA 0.702 63.968 63.100 0.278 0.000 0.765 82 P CB 0.311 32.152 31.700 0.235 0.000 0.783 83 A N 0.070 122.919 122.820 0.049 0.000 2.081 83 A HA 0.069 4.389 4.320 0.000 0.000 0.214 83 A C 1.238 178.786 177.584 -0.059 0.000 1.158 83 A CA 1.160 53.202 52.037 0.009 0.000 0.724 83 A CB -0.775 18.218 19.000 -0.011 0.000 0.826 83 A HN 0.345 nan 8.150 nan 0.000 0.463 84 T N -0.160 114.288 114.554 -0.175 0.000 3.064 84 T HA 0.515 4.865 4.350 0.000 0.000 0.367 84 T C -0.413 174.129 174.700 -0.264 0.000 1.202 84 T CA 0.022 61.853 62.100 -0.449 0.000 1.133 84 T CB 0.365 68.613 68.868 -1.033 0.000 1.074 84 T HN 0.294 nan 8.240 nan 0.000 0.519 85 T N 0.109 114.652 114.554 -0.018 0.000 2.885 85 T HA 0.903 5.253 4.350 0.000 0.000 0.285 85 T C -0.428 174.381 174.700 0.182 0.000 1.019 85 T CA -0.935 61.133 62.100 -0.052 0.000 1.010 85 T CB 1.843 70.469 68.868 -0.403 0.000 1.022 85 T HN 1.350 nan 8.240 nan 0.000 0.466 86 A N 1.219 124.086 122.820 0.079 0.000 2.590 86 A HA 0.610 4.931 4.320 0.000 0.000 0.296 86 A C -0.278 177.310 177.584 0.007 0.000 1.050 86 A CA -0.686 51.388 52.037 0.062 0.000 0.697 86 A CB 1.061 20.009 19.000 -0.085 0.000 1.277 86 A HN 0.758 nan 8.150 nan 0.000 0.411 87 D N -0.027 120.381 120.400 0.013 0.000 2.470 87 D HA 0.416 5.057 4.640 0.000 0.000 0.238 87 D C 0.806 177.169 176.300 0.106 0.000 1.054 87 D CA 1.679 55.712 54.000 0.054 0.000 0.896 87 D CB 1.463 42.279 40.800 0.027 0.000 1.118 87 D HN 1.343 nan 8.370 nan 0.000 0.497 88 G N 0.545 109.396 108.800 0.086 0.000 2.356 88 G HA2 0.290 4.250 3.960 0.000 0.000 0.300 88 G HA3 0.290 4.250 3.960 0.000 0.000 0.300 88 G C -2.234 172.723 174.900 0.095 0.000 1.331 88 G CA -0.760 44.417 45.100 0.129 0.000 0.905 88 G HN 0.108 nan 8.290 nan 0.000 0.587 89 L N -0.238 121.057 121.223 0.120 0.000 2.388 89 L HA 0.950 5.290 4.340 0.000 0.000 0.264 89 L C -0.138 176.857 176.870 0.208 0.000 0.998 89 L CA -0.516 54.361 54.840 0.062 0.000 0.817 89 L CB 1.939 43.908 42.059 -0.151 0.000 1.338 89 L HN 1.804 nan 8.230 nan 0.000 0.414 90 A N 2.856 125.803 122.820 0.211 0.000 2.572 90 A HA 0.674 4.994 4.320 0.000 0.000 0.295 90 A C -2.021 175.800 177.584 0.395 0.000 1.072 90 A CA -0.431 51.793 52.037 0.311 0.000 0.691 90 A CB 1.454 20.544 19.000 0.150 0.000 1.291 90 A HN 0.617 nan 8.150 nan 0.000 0.404 91 F N 2.248 122.399 119.950 0.335 0.000 2.458 91 F HA 0.801 5.328 4.527 0.000 0.000 0.336 91 F C -0.931 175.047 175.800 0.297 0.000 1.114 91 F CA -1.206 56.913 58.000 0.198 0.000 0.987 91 F CB 1.151 40.320 39.000 0.282 0.000 1.130 91 F HN 0.664 nan 8.300 nan 0.000 0.458 92 F N 4.579 124.046 119.950 -0.806 0.000 2.662 92 F HA 0.848 5.375 4.527 0.000 0.000 0.312 92 F C -2.500 172.998 175.800 -0.503 0.000 1.113 92 F CA -1.902 55.815 58.000 -0.472 0.000 0.951 92 F CB 1.078 39.903 39.000 -0.291 0.000 1.344 92 F HN 0.293 nan 8.300 nan 0.000 0.462 93 L N 2.198 123.265 121.223 -0.260 0.000 2.386 93 L HA 0.991 5.331 4.340 0.000 0.000 0.271 93 L C -0.253 176.584 176.870 -0.055 0.000 0.993 93 L CA -0.507 54.188 54.840 -0.242 0.000 0.819 93 L CB 1.681 43.689 42.059 -0.086 0.000 1.294 93 L HN 1.174 nan 8.230 nan 0.000 0.414 94 A N 2.756 125.527 122.820 -0.081 0.000 2.557 94 A HA 0.903 5.223 4.320 0.000 0.000 0.292 94 A C -3.002 174.584 177.584 0.004 0.000 1.139 94 A CA -1.423 50.634 52.037 0.034 0.000 0.665 94 A CB 1.086 20.189 19.000 0.171 0.000 1.285 94 A HN 0.404 nan 8.150 nan 0.000 0.433 95 P HA 0.147 nan 4.420 nan 0.000 0.268 95 P C 1.416 178.720 177.300 0.007 0.000 1.208 95 P CA 0.544 63.656 63.100 0.019 0.000 0.777 95 P CB 0.435 32.146 31.700 0.018 0.000 0.875 96 V N -0.042 119.879 119.914 0.012 0.000 2.546 96 V HA -0.219 3.901 4.120 0.000 0.000 0.254 96 V C 1.127 177.208 176.094 -0.022 0.000 1.076 96 V CA 2.300 64.600 62.300 -0.000 0.000 1.087 96 V CB -1.298 30.527 31.823 0.003 0.000 0.674 96 V HN 0.580 nan 8.190 nan 0.000 0.470 97 D N 0.014 120.402 120.400 -0.020 0.000 2.358 97 D HA 0.035 4.675 4.640 0.000 0.000 0.224 97 D C 0.991 177.279 176.300 -0.020 0.000 1.123 97 D CA 0.401 54.384 54.000 -0.028 0.000 0.833 97 D CB -0.237 40.545 40.800 -0.030 0.000 0.946 97 D HN 0.470 nan 8.370 nan 0.000 0.505 98 T N 0.802 115.353 114.554 -0.004 0.000 2.933 98 T HA -0.023 4.327 4.350 0.000 0.000 0.306 98 T C -0.127 174.575 174.700 0.004 0.000 1.045 98 T CA 0.364 62.474 62.100 0.017 0.000 1.143 98 T CB 0.580 69.502 68.868 0.091 0.000 1.003 98 T HN 0.044 nan 8.240 nan 0.000 0.540 99 Q N 4.221 124.012 119.800 -0.016 0.000 2.413 99 Q HA 0.467 4.807 4.340 0.000 0.000 0.276 99 Q C -2.404 173.560 176.000 -0.060 0.000 1.099 99 Q CA -2.233 53.549 55.803 -0.035 0.000 0.814 99 Q CB 1.851 30.565 28.738 -0.041 0.000 1.379 99 Q HN 0.561 nan 8.270 nan 0.000 0.436 100 P HA 0.051 nan 4.420 nan 0.000 0.266 100 P C -0.272 176.966 177.300 -0.103 0.000 1.195 100 P CA 0.320 63.357 63.100 -0.104 0.000 0.768 100 P CB 0.925 32.575 31.700 -0.084 0.000 0.838 101 L N 1.123 122.267 121.223 -0.133 0.000 2.727 101 L HA 0.376 4.716 4.340 0.000 0.000 0.210 101 L C 0.544 177.369 176.870 -0.074 0.000 1.934 101 L CA -0.786 53.994 54.840 -0.100 0.000 2.874 101 L CB -0.346 41.642 42.059 -0.118 0.000 2.806 101 L HN 0.174 nan 8.230 nan 0.000 0.676 102 D N 0.902 121.271 120.400 -0.052 0.000 2.372 102 D HA 0.341 4.981 4.640 0.000 0.000 0.243 102 D C 0.027 176.311 176.300 -0.027 0.000 1.121 102 D CA 0.029 54.013 54.000 -0.026 0.000 0.898 102 D CB 0.743 41.543 40.800 -0.000 0.000 1.202 102 D HN 0.115 nan 8.370 nan 0.000 0.428 103 L N 0.831 122.043 121.223 -0.017 0.000 2.505 103 L HA 0.364 4.704 4.340 0.000 0.000 0.226 103 L C 1.974 178.844 176.870 0.001 0.000 1.211 103 L CA -0.127 54.702 54.840 -0.018 0.000 0.828 103 L CB -0.297 41.748 42.059 -0.022 0.000 1.331 103 L HN 0.643 nan 8.230 nan 0.000 0.513 104 G N 0.135 108.928 108.800 -0.013 0.000 2.651 104 G HA2 -0.357 3.603 3.960 0.000 0.000 0.315 104 G HA3 -0.357 3.603 3.960 0.000 0.000 0.315 104 G C 0.933 175.860 174.900 0.045 0.000 1.258 104 G CA 0.383 45.473 45.100 -0.017 0.000 1.002 104 G HN 1.066 nan 8.290 nan 0.000 0.551 105 G N -1.029 107.833 108.800 0.104 0.000 2.499 105 G HA2 -0.046 3.914 3.960 0.000 0.000 0.221 105 G HA3 -0.046 3.914 3.960 0.000 0.000 0.221 105 G C 1.646 176.718 174.900 0.287 0.000 1.109 105 G CA 1.840 47.107 45.100 0.279 0.000 0.749 105 G HN 0.479 nan 8.290 nan 0.000 0.568 106 M N -0.117 119.584 119.600 0.169 0.000 2.619 106 M HA 0.276 4.757 4.480 0.000 0.000 0.251 106 M C 1.465 177.823 176.300 0.096 0.000 1.106 106 M CA 0.015 55.384 55.300 0.115 0.000 1.086 106 M CB -0.835 31.801 32.600 0.059 0.000 1.465 106 M HN 0.273 nan 8.290 nan 0.000 0.506 107 L N -0.161 121.100 121.223 0.063 0.000 4.312 107 L HA -0.324 4.016 4.340 0.000 0.000 0.427 107 L C 1.059 177.856 176.870 -0.122 0.000 1.149 107 L CA 0.367 55.205 54.840 -0.003 0.000 0.978 107 L CB -2.844 39.236 42.059 0.035 0.000 1.963 107 L HN 0.606 nan 8.230 nan 0.000 0.970 108 G N 0.252 108.977 108.800 -0.125 0.000 2.168 108 G HA2 -0.345 3.615 3.960 0.000 0.000 0.263 108 G HA3 -0.345 3.615 3.960 0.000 0.000 0.263 108 G C 0.565 175.250 174.900 -0.358 0.000 0.977 108 G CA 0.716 45.698 45.100 -0.195 0.000 0.659 108 G HN 0.886 nan 8.290 nan 0.000 0.533 109 I N -4.579 115.705 120.570 -0.475 0.000 4.338 109 I HA 0.640 4.810 4.170 0.000 0.000 0.329 109 I C -0.057 175.516 176.117 -0.907 0.000 1.378 109 I CA -0.611 60.196 61.300 -0.821 0.000 1.170 109 I CB 0.300 37.570 38.000 -1.216 0.000 1.206 109 I HN -0.071 nan 8.210 nan 0.000 0.432 110 F N 1.685 121.531 119.950 -0.174 0.000 2.588 110 F HA 0.703 5.230 4.527 0.000 0.000 0.314 110 F C -0.040 175.690 175.800 -0.117 0.000 1.069 110 F CA -0.792 57.126 58.000 -0.137 0.000 0.931 110 F CB 1.941 40.838 39.000 -0.172 0.000 1.260 110 F HN -0.159 nan 8.300 nan 0.000 0.465 116 N N 5.320 123.723 118.700 -0.494 0.000 2.414 116 N HA 0.153 4.893 4.740 0.000 0.000 0.256 116 N C 0.903 175.910 175.510 -0.840 0.000 1.029 116 N CA -0.380 52.366 53.050 -0.508 0.000 0.948 116 N CB 0.954 39.304 38.487 -0.228 0.000 1.102 116 N HN 0.627 nan 8.380 nan 0.000 0.496 117 K N 1.919 121.885 120.400 -0.722 0.000 2.519 117 K HA -0.069 4.251 4.320 0.000 0.000 0.196 117 K C 0.988 177.444 176.600 -0.239 0.000 1.041 117 K CA 0.917 56.892 56.287 -0.521 0.000 0.954 117 K CB -0.056 32.297 32.500 -0.246 0.000 0.774 117 K HN 0.684 nan 8.250 nan 0.000 0.480 118 S N -1.437 114.140 115.700 -0.205 0.000 2.535 118 S HA 0.092 4.562 4.470 0.000 0.000 0.214 118 S C 0.667 175.226 174.600 -0.068 0.000 0.980 118 S CA -0.248 57.894 58.200 -0.097 0.000 0.907 118 S CB -0.113 63.039 63.200 -0.079 0.000 0.790 118 S HN 0.273 nan 8.310 nan 0.000 0.510 119 N N 1.901 120.544 118.700 -0.096 0.000 2.546 119 N HA 0.174 4.914 4.740 0.000 0.000 0.286 119 N C -1.034 174.511 175.510 0.059 0.000 1.259 119 N CA -0.276 52.759 53.050 -0.025 0.000 0.939 119 N CB 0.388 38.859 38.487 -0.026 0.000 1.243 119 N HN 0.498 nan 8.380 nan 0.000 0.511 120 Q N 1.535 121.379 119.800 0.073 0.000 2.300 120 Q HA 0.300 4.641 4.340 0.000 0.000 0.280 120 Q C -0.423 175.659 176.000 0.137 0.000 1.033 120 Q CA 0.643 56.538 55.803 0.153 0.000 0.903 120 Q CB 1.331 30.146 28.738 0.129 0.000 1.195 120 Q HN 0.437 nan 8.270 nan 0.000 0.386 121 I N 0.835 121.512 120.570 0.179 0.000 2.775 121 I HA 0.495 4.665 4.170 0.000 0.000 0.295 121 I C -1.688 174.543 176.117 0.191 0.000 1.287 121 I CA -1.122 60.267 61.300 0.148 0.000 1.029 121 I CB 1.845 39.859 38.000 0.024 0.000 1.282 121 I HN 0.395 nan 8.210 nan 0.000 0.426 122 V N 6.484 126.497 119.914 0.165 0.000 2.540 122 V HA 0.963 5.083 4.120 0.000 0.000 0.302 122 V C -0.201 176.021 176.094 0.212 0.000 1.035 122 V CA -0.176 62.232 62.300 0.179 0.000 0.873 122 V CB 1.384 33.286 31.823 0.132 0.000 0.992 122 V HN 0.902 nan 8.190 nan 0.000 0.428 123 A N 4.022 126.988 122.820 0.243 0.000 2.594 123 A HA 0.887 5.207 4.320 0.000 0.000 0.295 123 A C -1.543 176.184 177.584 0.240 0.000 1.071 123 A CA -0.549 51.643 52.037 0.259 0.000 0.685 123 A CB 2.130 21.253 19.000 0.205 0.000 1.285 123 A HN 0.604 nan 8.150 nan 0.000 0.405 124 V N 2.113 122.188 119.914 0.268 0.000 2.384 124 V HA 0.493 4.614 4.120 0.000 0.000 0.287 124 V C -0.158 175.932 176.094 -0.008 0.000 1.020 124 V CA -0.289 62.084 62.300 0.121 0.000 0.850 124 V CB 1.282 33.226 31.823 0.201 0.000 0.987 124 V HN 0.991 nan 8.190 nan 0.000 0.436 125 E N 4.189 124.280 120.200 -0.182 0.000 2.195 125 E HA 0.613 4.963 4.350 0.000 0.000 0.271 125 E C -1.629 174.632 176.600 -0.564 0.000 0.923 125 E CA -0.733 55.553 56.400 -0.190 0.000 0.790 125 E CB 1.843 31.552 29.700 0.016 0.000 1.155 125 E HN 0.422 nan 8.360 nan 0.000 0.402 126 F N 1.950 121.866 119.950 -0.056 0.000 2.310 126 F HA 0.211 4.738 4.527 0.000 0.000 0.365 126 F C -0.083 175.762 175.800 0.075 0.000 1.080 126 F CA -0.911 56.953 58.000 -0.227 0.000 1.187 126 F CB 0.921 39.664 39.000 -0.428 0.000 1.465 126 F HN 0.457 nan 8.300 nan 0.000 0.496 127 D N 1.730 122.191 120.400 0.101 0.000 2.316 127 D HA 0.078 4.718 4.640 0.000 0.000 0.245 127 D C 1.123 177.525 176.300 0.170 0.000 1.171 127 D CA 0.103 54.133 54.000 0.050 0.000 0.856 127 D CB 1.339 41.950 40.800 -0.316 0.000 1.090 127 D HN 0.541 nan 8.370 nan 0.000 0.476 128 T N 1.024 115.683 114.554 0.175 0.000 3.086 128 T HA 0.185 4.535 4.350 0.000 0.000 0.250 128 T C 0.298 175.048 174.700 0.084 0.000 1.074 128 T CA -0.425 61.682 62.100 0.012 0.000 0.988 128 T CB -0.211 68.546 68.868 -0.185 0.000 0.988 128 T HN 0.239 nan 8.240 nan 0.000 0.530 129 F N 2.740 122.693 119.950 0.004 0.000 2.607 129 F HA 0.513 5.040 4.527 0.000 0.000 0.322 129 F C -0.622 175.216 175.800 0.063 0.000 1.176 129 F CA -1.286 56.732 58.000 0.029 0.000 0.977 129 F CB 1.859 40.871 39.000 0.020 0.000 1.242 129 F HN 0.088 nan 8.300 nan 0.000 0.465 130 S N 3.784 119.239 115.700 -0.408 0.000 2.416 130 S HA 0.393 4.863 4.470 0.000 0.000 0.287 130 S C -0.689 173.727 174.600 -0.306 0.000 1.139 130 S CA -0.662 57.423 58.200 -0.193 0.000 1.058 130 S CB -0.012 63.085 63.200 -0.172 0.000 0.967 130 S HN 0.630 nan 8.310 nan 0.000 0.495 131 N N 2.741 121.358 118.700 -0.138 0.000 2.406 131 N HA 0.376 5.116 4.740 0.000 0.000 0.251 131 N C 1.505 176.701 175.510 -0.524 0.000 1.069 131 N CA 0.014 52.842 53.050 -0.371 0.000 0.947 131 N CB 0.898 38.889 38.487 -0.827 0.000 1.111 131 N HN 0.786 nan 8.380 nan 0.000 0.497 132 G N 1.521 110.105 108.800 -0.360 0.000 2.517 132 G HA2 -0.289 3.672 3.960 0.000 0.000 0.222 132 G HA3 -0.289 3.672 3.960 0.000 0.000 0.222 132 G C 0.889 175.622 174.900 -0.278 0.000 1.109 132 G CA 0.753 45.690 45.100 -0.271 0.000 0.746 132 G HN 0.534 nan 8.290 nan 0.000 0.576 133 D N -0.947 119.192 120.400 -0.435 0.000 2.355 133 D HA 0.042 4.683 4.640 0.000 0.000 0.218 133 D C 1.426 177.725 176.300 -0.001 0.000 1.004 133 D CA 0.788 54.649 54.000 -0.231 0.000 0.880 133 D CB 0.082 40.777 40.800 -0.176 0.000 0.911 133 D HN 0.857 nan 8.370 nan 0.000 0.528 134 W N -0.780 120.514 121.300 -0.010 0.000 0.852 134 W HA 0.304 4.965 4.660 0.000 0.000 0.154 134 W C -1.022 175.481 176.519 -0.027 0.000 0.660 134 W CA -0.481 56.848 57.345 -0.027 0.000 0.576 134 W CB -0.205 29.233 29.460 -0.037 0.000 0.757 134 W HN -0.396 nan 8.180 nan 0.000 0.399 135 D N 2.883 123.262 120.400 -0.035 0.000 2.342 135 D HA 0.456 5.096 4.640 0.000 0.000 0.243 135 D C -1.749 174.482 176.300 -0.114 0.000 1.019 135 D CA -1.459 52.540 54.000 -0.002 0.000 0.864 135 D CB 2.246 43.088 40.800 0.069 0.000 1.315 135 D HN -0.232 nan 8.370 nan 0.000 0.468 136 P HA 0.196 nan 4.420 nan 0.000 0.302 136 P C -0.645 176.577 177.300 -0.130 0.000 1.301 136 P CA -0.520 62.469 63.100 -0.185 0.000 0.745 136 P CB 1.001 32.549 31.700 -0.255 0.000 1.331 137 K N -0.412 119.941 120.400 -0.078 0.000 2.249 137 K HA 0.480 4.800 4.320 0.000 0.000 0.280 137 K C 0.657 177.268 176.600 0.018 0.000 1.033 137 K CA 0.061 56.323 56.287 -0.041 0.000 0.946 137 K CB 0.043 32.526 32.500 -0.028 0.000 1.005 137 K HN 0.867 nan 8.250 nan 0.000 0.469 138 G N 2.090 110.898 108.800 0.012 0.000 2.877 138 G HA2 -0.293 3.667 3.960 0.000 0.000 0.279 138 G HA3 -0.293 3.667 3.960 0.000 0.000 0.279 138 G C -0.680 174.336 174.900 0.194 0.000 1.431 138 G CA -0.760 44.375 45.100 0.058 0.000 0.883 138 G HN 0.661 nan 8.290 nan 0.000 0.547 139 R N 1.066 121.646 120.500 0.133 0.000 2.694 139 R HA 0.470 4.810 4.340 0.000 0.000 0.268 139 R C 0.714 177.231 176.300 0.362 0.000 1.061 139 R CA 0.666 56.861 56.100 0.158 0.000 1.133 139 R CB 0.469 30.734 30.300 -0.058 0.000 1.020 139 R HN 0.962 nan 8.270 nan 0.000 0.475 140 H N -0.256 119.060 119.070 0.410 0.000 3.003 140 H HA 0.268 4.825 4.556 0.000 0.000 0.327 140 H C -1.264 174.230 175.328 0.278 0.000 1.353 140 H CA -0.910 55.355 56.048 0.361 0.000 1.142 140 H CB 0.675 30.557 29.762 0.200 0.000 1.864 140 H HN 0.310 nan 8.280 nan 0.000 0.529 141 L N 0.713 122.055 121.223 0.198 0.000 2.379 141 L HA 0.710 5.050 4.340 0.000 0.000 0.269 141 L C 0.748 177.662 176.870 0.074 0.000 1.084 141 L CA -0.389 54.389 54.840 -0.103 0.000 0.802 141 L CB 1.577 43.555 42.059 -0.136 0.000 1.175 141 L HN 0.900 nan 8.230 nan 0.000 0.448 142 G N 1.826 110.600 108.800 -0.042 0.000 2.718 142 G HA2 0.662 4.622 3.960 0.000 0.000 0.295 142 G HA3 0.662 4.622 3.960 0.000 0.000 0.295 142 G C -1.490 173.422 174.900 0.021 0.000 1.421 142 G CA -0.465 44.684 45.100 0.081 0.000 0.902 142 G HN 0.407 nan 8.290 nan 0.000 0.501 143 I N 1.725 122.330 120.570 0.059 0.000 2.389 143 I HA 0.320 4.491 4.170 0.000 0.000 0.288 143 I C -0.597 175.571 176.117 0.084 0.000 0.999 143 I CA -0.743 60.602 61.300 0.076 0.000 1.129 143 I CB 1.753 39.798 38.000 0.076 0.000 1.288 143 I HN 0.327 nan 8.210 nan 0.000 0.444 144 N N 5.675 124.449 118.700 0.124 0.000 2.314 144 N HA 0.589 5.329 4.740 0.000 0.000 0.304 144 N C -1.288 174.322 175.510 0.166 0.000 1.073 144 N CA -0.576 52.545 53.050 0.118 0.000 0.822 144 N CB 3.228 41.826 38.487 0.185 0.000 1.280 144 N HN 0.140 nan 8.380 nan 0.000 0.489 145 V N 2.958 122.925 119.914 0.088 0.000 2.462 145 V HA 0.233 4.353 4.120 0.000 0.000 0.288 145 V C 0.139 176.271 176.094 0.063 0.000 1.020 145 V CA -0.706 61.657 62.300 0.104 0.000 0.857 145 V CB 0.977 32.831 31.823 0.052 0.000 1.013 145 V HN 0.757 nan 8.190 nan 0.000 0.431 146 N N 1.578 120.407 118.700 0.216 0.000 2.900 146 N HA -0.178 4.562 4.740 0.000 0.000 0.240 146 N C 0.189 175.726 175.510 0.044 0.000 0.953 146 N CA 1.780 54.969 53.050 0.232 0.000 0.950 146 N CB -0.705 37.825 38.487 0.073 0.000 1.102 146 N HN 1.066 nan 8.380 nan 0.000 0.593 147 S N -1.471 113.996 115.700 -0.388 0.000 2.588 147 S HA 0.542 5.012 4.470 0.000 0.000 0.269 147 S C 0.509 174.137 174.600 -1.620 0.000 1.157 147 S CA -0.560 57.105 58.200 -0.891 0.000 0.824 147 S CB 0.862 63.764 63.200 -0.496 0.000 1.126 147 S HN -0.074 nan 8.310 nan 0.000 0.464 148 I N 1.789 121.468 120.570 -1.484 0.000 2.756 148 I HA 0.181 4.352 4.170 0.000 0.000 0.262 148 I C 0.941 176.639 176.117 -0.697 0.000 1.225 148 I CA 1.090 61.687 61.300 -1.172 0.000 1.472 148 I CB -0.437 36.870 38.000 -1.155 0.000 1.094 148 I HN 0.817 nan 8.210 nan 0.000 0.454 149 E N 0.995 120.864 120.200 -0.551 0.000 2.129 149 E HA 0.141 4.491 4.350 0.000 0.000 0.283 149 E C -0.262 176.250 176.600 -0.146 0.000 1.080 149 E CA -0.237 56.044 56.400 -0.199 0.000 0.867 149 E CB 0.489 30.121 29.700 -0.114 0.000 1.056 149 E HN 0.238 nan 8.360 nan 0.000 0.404 150 S N 3.920 119.601 115.700 -0.033 0.000 2.560 150 S HA -0.022 4.449 4.470 0.000 0.000 0.284 150 S C 1.307 175.902 174.600 -0.009 0.000 1.327 150 S CA -0.475 57.724 58.200 -0.002 0.000 1.055 150 S CB 0.375 63.618 63.200 0.072 0.000 0.868 150 S HN 0.587 nan 8.310 nan 0.000 0.506 151 I N -0.227 120.341 120.570 -0.004 0.000 3.001 151 I HA 0.305 4.475 4.170 0.000 0.000 0.268 151 I C 0.606 176.730 176.117 0.012 0.000 1.267 151 I CA 0.809 62.106 61.300 -0.003 0.000 1.472 151 I CB -0.611 37.391 38.000 0.003 0.000 1.089 151 I HN 0.433 nan 8.210 nan 0.000 0.468 152 K N -0.019 120.396 120.400 0.026 0.000 2.598 152 K HA 0.532 4.852 4.320 0.000 0.000 0.271 152 K C -1.145 175.485 176.600 0.051 0.000 0.947 152 K CA -0.114 56.193 56.287 0.032 0.000 0.854 152 K CB 1.603 34.126 32.500 0.038 0.000 1.401 152 K HN 0.247 nan 8.250 nan 0.000 0.415 153 T N -1.283 113.299 114.554 0.047 0.000 2.864 153 T HA 0.770 5.121 4.350 0.000 0.000 0.299 153 T C -0.784 173.973 174.700 0.094 0.000 1.166 153 T CA -0.693 61.456 62.100 0.081 0.000 1.007 153 T CB 1.530 70.391 68.868 -0.013 0.000 1.219 153 T HN 0.513 nan 8.240 nan 0.000 0.506 154 V N -2.428 117.583 119.914 0.162 0.000 3.012 154 V HA 0.794 4.914 4.120 0.000 0.000 0.307 154 V C -3.330 172.927 176.094 0.272 0.000 1.166 154 V CA -2.895 59.516 62.300 0.185 0.000 0.974 154 V CB 1.468 33.405 31.823 0.190 0.000 1.040 154 V HN 0.781 nan 8.190 nan 0.000 0.428 155 P HA 0.186 nan 4.420 nan 0.000 0.266 155 P C -1.451 176.081 177.300 0.386 0.000 1.195 155 P CA 0.504 63.787 63.100 0.304 0.000 0.768 155 P CB 0.268 32.113 31.700 0.242 0.000 0.838 156 W N 3.954 125.294 121.300 0.065 0.000 2.715 156 W HA 0.342 5.002 4.660 0.000 0.000 0.331 156 W C -1.297 175.117 176.519 -0.175 0.000 1.031 156 W CA -0.774 56.425 57.345 -0.243 0.000 1.237 156 W CB 0.720 30.105 29.460 -0.124 0.000 1.378 156 W HN 0.174 nan 8.180 nan 0.000 0.454 157 N N 5.745 124.179 118.700 -0.444 0.000 2.602 157 N HA 0.045 4.785 4.740 0.000 0.000 0.238 157 N C -0.745 174.509 175.510 -0.427 0.000 1.084 157 N CA -0.257 52.663 53.050 -0.217 0.000 0.952 157 N CB 0.104 38.713 38.487 0.204 0.000 1.244 157 N HN 0.585 nan 8.380 nan 0.000 0.512 158 W N 3.213 123.914 121.300 -0.999 0.000 2.210 158 W HA 0.127 4.787 4.660 0.000 0.000 0.330 158 W C -0.470 175.825 176.519 -0.373 0.000 1.334 158 W CA 0.036 56.843 57.345 -0.896 0.000 1.227 158 W CB 0.650 29.415 29.460 -1.158 0.000 1.178 158 W HN 0.141 nan 8.180 nan 0.000 0.560 159 T N 7.211 121.106 114.554 -1.099 0.000 2.809 159 T HA 0.118 4.468 4.350 0.000 0.000 0.296 159 T C -0.184 173.650 174.700 -1.443 0.000 1.015 159 T CA -0.663 60.696 62.100 -1.235 0.000 0.954 159 T CB 0.255 68.457 68.868 -1.111 0.000 0.950 159 T HN 0.551 nan 8.240 nan 0.000 0.450 160 N N 2.116 119.829 118.700 -1.645 0.000 2.301 160 N HA 0.054 4.794 4.740 0.000 0.000 0.267 160 N C 1.429 176.726 175.510 -0.355 0.000 1.304 160 N CA 1.006 53.477 53.050 -0.964 0.000 0.851 160 N CB 0.107 38.242 38.487 -0.587 0.000 1.070 160 N HN 0.999 nan 8.380 nan 0.000 0.483 161 G N 2.085 110.855 108.800 -0.051 0.000 2.200 161 G HA2 -0.332 3.628 3.960 0.000 0.000 0.267 161 G HA3 -0.332 3.628 3.960 0.000 0.000 0.267 161 G C 0.130 175.011 174.900 -0.032 0.000 0.993 161 G CA 0.770 45.879 45.100 0.016 0.000 0.701 161 G HN 0.700 nan 8.290 nan 0.000 0.524 162 E N -0.289 119.838 120.200 -0.121 0.000 2.313 162 E HA 0.526 4.877 4.350 0.000 0.000 0.272 162 E C 0.560 177.201 176.600 0.067 0.000 1.038 162 E CA -0.576 55.762 56.400 -0.103 0.000 0.863 162 E CB 1.198 30.673 29.700 -0.376 0.000 1.060 162 E HN 0.207 nan 8.360 nan 0.000 0.402 163 V N 3.373 123.337 119.914 0.082 0.000 2.470 163 V HA 0.434 4.555 4.120 0.000 0.000 0.276 163 V C 0.193 176.326 176.094 0.065 0.000 1.040 163 V CA 0.081 62.415 62.300 0.057 0.000 1.008 163 V CB 0.481 32.331 31.823 0.045 0.000 0.990 163 V HN 0.750 nan 8.190 nan 0.000 0.477 164 A N 5.084 127.769 122.820 -0.225 0.000 2.330 164 A HA 0.628 4.948 4.320 0.000 0.000 0.327 164 A C -0.154 177.179 177.584 -0.418 0.000 1.155 164 A CA -0.762 50.969 52.037 -0.509 0.000 0.803 164 A CB 0.569 18.941 19.000 -1.046 0.000 1.208 164 A HN 0.863 nan 8.150 nan 0.000 0.477 165 N N 0.643 119.164 118.700 -0.298 0.000 2.408 165 N HA 0.530 5.270 4.740 0.000 0.000 0.280 165 N C -1.209 174.164 175.510 -0.228 0.000 1.002 165 N CA -0.468 52.471 53.050 -0.185 0.000 0.907 165 N CB 1.993 40.430 38.487 -0.084 0.000 1.161 165 N HN 0.371 nan 8.380 nan 0.000 0.488 166 V N 2.827 122.548 119.914 -0.320 0.000 2.628 166 V HA 0.519 4.639 4.120 0.000 0.000 0.306 166 V C -0.954 175.061 176.094 -0.132 0.000 1.045 166 V CA -0.673 61.411 62.300 -0.359 0.000 0.905 166 V CB 1.486 32.742 31.823 -0.944 0.000 0.997 166 V HN 0.510 nan 8.190 nan 0.000 0.436 167 F N 5.282 125.160 119.950 -0.120 0.000 2.561 167 F HA 0.762 5.290 4.527 0.000 0.000 0.313 167 F C -0.915 174.896 175.800 0.019 0.000 1.126 167 F CA -0.889 57.088 58.000 -0.039 0.000 0.918 167 F CB 1.358 40.338 39.000 -0.032 0.000 1.199 167 F HN 0.324 nan 8.300 nan 0.000 0.444 168 I N 4.838 124.935 120.570 -0.788 0.000 2.582 168 I HA 0.530 4.701 4.170 0.000 0.000 0.292 168 I C -0.972 174.615 176.117 -0.884 0.000 1.066 168 I CA -0.623 60.344 61.300 -0.555 0.000 1.053 168 I CB 2.358 40.262 38.000 -0.160 0.000 1.241 168 I HN 0.677 nan 8.210 nan 0.000 0.421 169 S N 4.974 120.291 115.700 -0.639 0.000 2.549 169 S HA 0.646 5.116 4.470 0.000 0.000 0.280 169 S C -1.473 172.877 174.600 -0.416 0.000 1.109 169 S CA -0.722 57.138 58.200 -0.566 0.000 0.905 169 S CB 2.209 65.193 63.200 -0.360 0.000 1.081 169 S HN 0.536 nan 8.310 nan 0.000 0.477 170 Y N 1.052 120.914 120.300 -0.731 0.000 2.329 170 Y HA 0.517 5.067 4.550 0.000 0.000 0.328 170 Y C -0.688 174.997 175.900 -0.357 0.000 0.992 170 Y CA -0.626 57.123 58.100 -0.584 0.000 1.151 170 Y CB 1.658 39.573 38.460 -0.908 0.000 1.150 170 Y HN 0.938 nan 8.280 nan 0.000 0.450 171 E N 5.009 124.753 120.200 -0.760 0.000 2.055 171 E HA 0.481 4.832 4.350 0.000 0.000 0.274 171 E C 0.247 176.393 176.600 -0.756 0.000 0.949 171 E CA 0.155 56.226 56.400 -0.549 0.000 0.775 171 E CB 1.270 30.774 29.700 -0.327 0.000 1.097 171 E HN 0.966 nan 8.360 nan 0.000 0.404 172 A N 3.313 125.824 122.820 -0.514 0.000 1.908 172 A HA -0.244 4.077 4.320 0.000 0.000 0.218 172 A C 2.134 179.601 177.584 -0.194 0.000 1.181 172 A CA 2.149 54.012 52.037 -0.290 0.000 0.627 172 A CB -0.706 18.300 19.000 0.009 0.000 0.818 172 A HN 0.718 nan 8.150 nan 0.000 0.445 173 S N -0.440 115.167 115.700 -0.156 0.000 2.402 173 S HA -0.176 4.294 4.470 0.000 0.000 0.233 173 S C 1.579 176.113 174.600 -0.109 0.000 1.030 173 S CA 2.095 60.233 58.200 -0.102 0.000 1.003 173 S CB -1.076 62.074 63.200 -0.083 0.000 0.813 173 S HN 0.924 nan 8.310 nan 0.000 0.477 174 T N -2.247 112.210 114.554 -0.162 0.000 3.040 174 T HA 0.396 4.746 4.350 0.000 0.000 0.266 174 T C 0.257 174.869 174.700 -0.147 0.000 1.005 174 T CA -0.310 61.712 62.100 -0.130 0.000 0.906 174 T CB -0.445 68.352 68.868 -0.118 0.000 1.082 174 T HN 0.438 nan 8.240 nan 0.000 0.531 175 K N 0.792 121.053 120.400 -0.232 0.000 3.035 175 K HA -0.148 4.172 4.320 0.000 0.000 0.262 175 K C -0.139 176.392 176.600 -0.114 0.000 1.024 175 K CA 0.560 56.754 56.287 -0.155 0.000 0.748 175 K CB -2.070 30.450 32.500 0.032 0.000 1.247 175 K HN 0.451 nan 8.250 nan 0.000 0.482 176 S N 0.929 116.450 115.700 -0.299 0.000 2.422 176 S HA 0.474 4.944 4.470 0.000 0.000 0.308 176 S C -0.681 173.868 174.600 -0.083 0.000 1.097 176 S CA -0.944 57.175 58.200 -0.134 0.000 1.099 176 S CB 0.742 63.864 63.200 -0.130 0.000 0.976 176 S HN 0.307 nan 8.310 nan 0.000 0.471 177 L N 6.028 127.318 121.223 0.111 0.000 2.280 177 L HA 0.604 4.944 4.340 0.000 0.000 0.287 177 L C -0.334 176.569 176.870 0.054 0.000 1.023 177 L CA 0.328 55.264 54.840 0.160 0.000 0.819 177 L CB 1.477 43.682 42.059 0.243 0.000 1.212 177 L HN 0.590 nan 8.230 nan 0.000 0.420 178 T N 4.379 118.929 114.554 -0.007 0.000 2.856 178 T HA 0.871 5.222 4.350 0.000 0.000 0.283 178 T C -0.693 173.999 174.700 -0.014 0.000 1.008 178 T CA -0.425 61.676 62.100 0.002 0.000 0.997 178 T CB 1.605 70.477 68.868 0.007 0.000 0.992 178 T HN 0.775 nan 8.240 nan 0.000 0.454 179 A N 2.306 125.148 122.820 0.036 0.000 2.398 179 A HA 0.827 5.147 4.320 0.000 0.000 0.301 179 A C -0.249 177.402 177.584 0.112 0.000 1.041 179 A CA -0.826 51.248 52.037 0.061 0.000 0.711 179 A CB 1.268 20.306 19.000 0.062 0.000 1.240 179 A HN 0.906 nan 8.150 nan 0.000 0.420 180 S N 1.636 117.429 115.700 0.157 0.000 2.549 180 S HA 0.820 5.290 4.470 0.000 0.000 0.280 180 S C -1.040 173.663 174.600 0.172 0.000 1.109 180 S CA -0.661 57.645 58.200 0.177 0.000 0.905 180 S CB 1.521 64.825 63.200 0.173 0.000 1.081 180 S HN 1.382 nan 8.310 nan 0.000 0.477 181 L N 2.421 123.747 121.223 0.173 0.000 2.410 181 L HA 0.872 5.212 4.340 0.000 0.000 0.270 181 L C -1.769 175.135 176.870 0.057 0.000 0.983 181 L CA -0.665 54.210 54.840 0.059 0.000 0.822 181 L CB 1.749 43.825 42.059 0.027 0.000 1.285 181 L HN 0.727 nan 8.230 nan 0.000 0.409 182 V N 3.945 123.795 119.914 -0.105 0.000 2.789 182 V HA 0.406 4.526 4.120 0.000 0.000 0.311 182 V C -1.363 174.604 176.094 -0.213 0.000 1.073 182 V CA -0.492 61.757 62.300 -0.085 0.000 0.921 182 V CB 2.136 33.938 31.823 -0.036 0.000 1.009 182 V HN 0.527 nan 8.190 nan 0.000 0.426 183 Y N 5.687 126.047 120.300 0.100 0.000 2.717 183 Y HA 0.340 4.890 4.550 0.000 0.000 0.329 183 Y C -1.322 174.590 175.900 0.019 0.000 1.017 183 Y CA -2.527 55.604 58.100 0.051 0.000 1.275 183 Y CB 1.134 39.646 38.460 0.086 0.000 1.109 183 Y HN 0.481 nan 8.280 nan 0.000 0.511 184 P HA -0.264 nan 4.420 nan 0.000 0.217 184 P C 1.726 179.063 177.300 0.061 0.000 1.151 184 P CA 1.750 64.885 63.100 0.059 0.000 0.849 184 P CB 0.481 32.199 31.700 0.031 0.000 0.787 185 S N -1.085 114.660 115.700 0.076 0.000 2.406 185 S HA -0.002 4.468 4.470 0.000 0.000 0.228 185 S C 1.837 176.458 174.600 0.036 0.000 1.020 185 S CA 0.605 58.831 58.200 0.043 0.000 0.965 185 S CB -0.659 62.558 63.200 0.027 0.000 0.798 185 S HN 0.066 nan 8.310 nan 0.000 0.488 186 L N 0.171 121.435 121.223 0.069 0.000 2.590 186 L HA 0.375 4.715 4.340 0.000 0.000 0.227 186 L C 0.583 177.489 176.870 0.060 0.000 1.099 186 L CA 0.252 55.122 54.840 0.050 0.000 0.872 186 L CB -0.298 41.786 42.059 0.041 0.000 1.088 186 L HN 0.228 nan 8.230 nan 0.000 0.479 187 E N 0.436 120.680 120.200 0.073 0.000 2.868 187 E HA -0.178 4.173 4.350 0.000 0.000 0.278 187 E C 0.063 176.682 176.600 0.030 0.000 1.009 187 E CA 0.634 57.058 56.400 0.039 0.000 0.856 187 E CB -1.674 28.034 29.700 0.014 0.000 1.428 187 E HN 0.624 nan 8.360 nan 0.000 0.423 188 T N -1.325 113.283 114.554 0.089 0.000 2.929 188 T HA 0.673 5.023 4.350 0.000 0.000 0.284 188 T C 0.046 174.707 174.700 -0.065 0.000 1.014 188 T CA -0.140 61.975 62.100 0.026 0.000 1.051 188 T CB 2.139 71.131 68.868 0.207 0.000 1.028 188 T HN 0.236 nan 8.240 nan 0.000 0.485 189 S N 0.656 116.101 115.700 -0.424 0.000 2.556 189 S HA 0.809 5.279 4.470 0.000 0.000 0.271 189 S C -1.589 172.522 174.600 -0.814 0.000 1.135 189 S CA -1.033 56.934 58.200 -0.388 0.000 0.858 189 S CB 0.971 64.079 63.200 -0.155 0.000 1.114 189 S HN 0.644 nan 8.310 nan 0.000 0.468 190 F N 0.728 120.748 119.950 0.118 0.000 2.599 190 F HA 0.810 5.337 4.527 0.000 0.000 0.311 190 F C -0.318 175.541 175.800 0.098 0.000 1.076 190 F CA -0.955 57.129 58.000 0.140 0.000 0.937 190 F CB 1.884 41.013 39.000 0.216 0.000 1.282 190 F HN 0.809 nan 8.300 nan 0.000 0.460 191 I N 2.516 123.236 120.570 0.251 0.000 2.918 191 I HA 0.667 4.837 4.170 0.000 0.000 0.301 191 I C -2.030 174.170 176.117 0.138 0.000 1.312 191 I CA -0.708 60.690 61.300 0.165 0.000 1.007 191 I CB 2.498 40.565 38.000 0.111 0.000 1.281 191 I HN 0.728 nan 8.210 nan 0.000 0.440 192 I N 5.504 126.136 120.570 0.103 0.000 2.894 192 I HA 0.521 4.691 4.170 0.000 0.000 0.302 192 I C -2.206 173.948 176.117 0.063 0.000 1.188 192 I CA -0.242 61.107 61.300 0.081 0.000 1.014 192 I CB 2.031 40.072 38.000 0.069 0.000 1.242 192 I HN 0.632 nan 8.210 nan 0.000 0.430 193 D N 5.279 125.713 120.400 0.056 0.000 2.859 193 D HA 0.743 5.384 4.640 0.000 0.000 0.223 193 D C -1.948 174.379 176.300 0.046 0.000 1.218 193 D CA -0.213 53.815 54.000 0.046 0.000 0.850 193 D CB 2.662 43.483 40.800 0.035 0.000 1.656 193 D HN 0.811 nan 8.370 nan 0.000 0.484 194 A N 2.810 125.661 122.820 0.051 0.000 2.604 194 A HA 0.523 4.843 4.320 0.000 0.000 0.295 194 A C -1.144 176.479 177.584 0.064 0.000 1.067 194 A CA -0.677 51.391 52.037 0.052 0.000 0.683 194 A CB 0.878 19.912 19.000 0.057 0.000 1.281 194 A HN 0.512 nan 8.150 nan 0.000 0.407 195 I N 1.237 121.838 120.570 0.053 0.000 2.416 195 I HA 0.405 4.575 4.170 0.000 0.000 0.288 195 I C -0.728 175.444 176.117 0.092 0.000 1.051 195 I CA -0.266 61.072 61.300 0.063 0.000 1.375 195 I CB 1.225 39.244 38.000 0.033 0.000 1.407 195 I HN 0.279 nan 8.210 nan 0.000 0.516 196 V N 5.299 125.308 119.914 0.160 0.000 2.488 196 V HA 0.153 4.273 4.120 0.000 0.000 0.293 196 V C -0.527 175.681 176.094 0.190 0.000 1.027 196 V CA -0.642 61.750 62.300 0.153 0.000 0.862 196 V CB 1.867 33.781 31.823 0.152 0.000 1.008 196 V HN 0.626 nan 8.190 nan 0.000 0.428 197 D N 3.916 124.372 120.400 0.092 0.000 2.494 197 D HA 0.156 4.796 4.640 0.000 0.000 0.217 197 D C 1.251 177.547 176.300 -0.008 0.000 1.153 197 D CA -0.108 53.928 54.000 0.061 0.000 0.954 197 D CB 1.485 42.285 40.800 0.000 0.000 1.034 197 D HN 0.422 nan 8.370 nan 0.000 0.518 198 V N 2.361 122.271 119.914 -0.007 0.000 2.469 198 V HA -0.198 3.923 4.120 0.000 0.000 0.251 198 V C 2.221 178.195 176.094 -0.201 0.000 1.064 198 V CA 1.486 63.732 62.300 -0.090 0.000 1.066 198 V CB -0.663 31.072 31.823 -0.147 0.000 0.667 198 V HN 0.354 nan 8.190 nan 0.000 0.461 199 K N -0.028 120.168 120.400 -0.340 0.000 2.097 199 K HA -0.072 4.249 4.320 0.000 0.000 0.206 199 K C 1.829 177.979 176.600 -0.750 0.000 1.049 199 K CA 1.884 57.635 56.287 -0.893 0.000 0.933 199 K CB -0.081 32.009 32.500 -0.682 0.000 0.717 199 K HN 0.529 nan 8.250 nan 0.000 0.442 200 I N 0.620 120.980 120.570 -0.350 0.000 3.793 200 I HA -0.046 4.124 4.170 0.000 0.000 0.315 200 I C 1.519 177.586 176.117 -0.083 0.000 1.275 200 I CA 0.460 61.638 61.300 -0.205 0.000 1.214 200 I CB 0.236 38.162 38.000 -0.124 0.000 1.018 200 I HN -0.019 nan 8.210 nan 0.000 0.439 201 V N 0.314 120.188 119.914 -0.066 0.000 2.743 201 V HA 0.183 4.303 4.120 0.000 0.000 0.237 201 V C 1.004 177.144 176.094 0.076 0.000 1.113 201 V CA 0.516 62.832 62.300 0.027 0.000 1.141 201 V CB 0.353 32.195 31.823 0.033 0.000 0.873 201 V HN 0.063 nan 8.190 nan 0.000 0.486 202 L N 1.830 123.100 121.223 0.079 0.000 2.358 202 L HA 0.458 4.798 4.340 0.000 0.000 0.268 202 L C -2.270 174.802 176.870 0.336 0.000 1.032 202 L CA -1.831 53.101 54.840 0.153 0.000 0.805 202 L CB 1.053 43.175 42.059 0.105 0.000 1.253 202 L HN 0.096 nan 8.230 nan 0.000 0.452 203 P HA 0.119 nan 4.420 nan 0.000 0.277 203 P C -0.128 177.262 177.300 0.150 0.000 1.271 203 P CA -0.379 62.886 63.100 0.276 0.000 0.795 203 P CB 0.876 32.650 31.700 0.123 0.000 1.101 204 E N -0.423 119.598 120.200 -0.299 0.000 2.070 204 E HA -0.164 4.186 4.350 0.000 0.000 0.197 204 E C -0.067 176.175 176.600 -0.597 0.000 1.004 204 E CA 1.596 57.470 56.400 -0.878 0.000 0.805 204 E CB -0.123 29.097 29.700 -0.801 0.000 0.744 204 E HN 0.464 nan 8.360 nan 0.000 0.451 205 W N 0.335 121.466 121.300 -0.280 0.000 2.551 205 W HA 0.394 5.054 4.660 0.000 0.000 0.330 205 W C -0.473 175.917 176.519 -0.215 0.000 1.063 205 W CA -0.693 56.507 57.345 -0.242 0.000 1.222 205 W CB 1.397 30.762 29.460 -0.159 0.000 1.349 205 W HN -0.233 nan 8.180 nan 0.000 0.536 206 V N 0.300 120.150 119.914 -0.107 0.000 3.049 206 V HA 0.654 4.774 4.120 0.000 0.000 0.309 206 V C -0.519 175.593 176.094 0.030 0.000 1.148 206 V CA -1.747 60.497 62.300 -0.093 0.000 0.990 206 V CB 1.938 33.633 31.823 -0.214 0.000 1.039 206 V HN 0.619 nan 8.190 nan 0.000 0.430 207 R N 1.388 121.915 120.500 0.044 0.000 2.674 207 R HA 0.870 5.210 4.340 0.000 0.000 0.266 207 R C -1.152 175.154 176.300 0.010 0.000 1.016 207 R CA -0.324 55.819 56.100 0.072 0.000 1.062 207 R CB 1.910 32.169 30.300 -0.069 0.000 1.142 207 R HN 0.903 nan 8.270 nan 0.000 0.517 208 F N -2.689 117.097 119.950 -0.274 0.000 2.686 208 F HA 0.760 5.287 4.527 0.000 0.000 0.311 208 F C -0.212 175.277 175.800 -0.519 0.000 1.128 208 F CA -0.487 57.171 58.000 -0.569 0.000 0.946 208 F CB 1.471 40.269 39.000 -0.337 0.000 1.336 208 F HN 0.727 nan 8.300 nan 0.000 0.457 209 G N 0.408 108.649 108.800 -0.932 0.000 2.491 209 G HA2 0.367 4.327 3.960 0.000 0.000 0.183 209 G HA3 0.367 4.327 3.960 0.000 0.000 0.183 209 G C -2.235 171.940 174.900 -1.208 0.000 1.221 209 G CA -0.863 43.636 45.100 -1.002 0.000 0.996 209 G HN 0.691 nan 8.290 nan 0.000 0.474 210 F N 0.472 120.230 119.950 -0.321 0.000 2.538 210 F HA 0.873 5.401 4.527 0.000 0.000 0.325 210 F C 0.578 176.396 175.800 0.031 0.000 1.066 210 F CA -0.707 57.197 58.000 -0.160 0.000 0.946 210 F CB 2.491 41.271 39.000 -0.367 0.000 1.199 210 F HN 0.523 nan 8.300 nan 0.000 0.473 211 S N 0.842 116.649 115.700 0.179 0.000 2.536 211 S HA 0.909 5.379 4.470 0.000 0.000 0.271 211 S C -1.480 173.106 174.600 -0.024 0.000 1.134 211 S CA -0.289 57.904 58.200 -0.012 0.000 0.897 211 S CB 1.361 64.385 63.200 -0.293 0.000 1.094 211 S HN 1.124 nan 8.310 nan 0.000 0.473 212 A N 2.177 124.970 122.820 -0.045 0.000 2.604 212 A HA 0.902 5.222 4.320 0.000 0.000 0.295 212 A C -0.510 177.055 177.584 -0.033 0.000 1.067 212 A CA -0.427 51.593 52.037 -0.028 0.000 0.683 212 A CB 1.462 20.447 19.000 -0.026 0.000 1.281 212 A HN 1.323 nan 8.150 nan 0.000 0.407 213 T N -1.402 113.143 114.554 -0.015 0.000 2.883 213 T HA 0.836 5.186 4.350 0.000 0.000 0.301 213 T C -0.077 174.618 174.700 -0.008 0.000 1.158 213 T CA 0.018 62.108 62.100 -0.018 0.000 1.007 213 T CB 1.371 70.228 68.868 -0.020 0.000 1.186 213 T HN 1.652 nan 8.240 nan 0.000 0.499 214 T N -1.040 113.505 114.554 -0.016 0.000 2.948 214 T HA 0.766 5.116 4.350 0.000 0.000 0.285 214 T C 0.903 175.581 174.700 -0.037 0.000 1.019 214 T CA -0.499 61.593 62.100 -0.013 0.000 1.013 214 T CB 0.911 69.776 68.868 -0.005 0.000 1.117 214 T HN 1.106 nan 8.240 nan 0.000 0.533 215 G N -0.474 108.301 108.800 -0.042 0.000 2.614 215 G HA2 0.388 4.348 3.960 0.000 0.000 0.239 215 G HA3 0.388 4.348 3.960 0.000 0.000 0.239 215 G C 0.655 175.503 174.900 -0.087 0.000 1.240 215 G CA -0.686 44.350 45.100 -0.107 0.000 0.842 215 G HN 0.807 nan 8.290 nan 0.000 0.584 216 I N -0.203 120.282 120.570 -0.142 0.000 2.703 216 I HA 0.021 4.191 4.170 0.000 0.000 0.259 216 I C 0.210 176.285 176.117 -0.070 0.000 1.151 216 I CA 0.314 61.557 61.300 -0.095 0.000 1.470 216 I CB -0.011 37.926 38.000 -0.104 0.000 1.112 216 I HN 0.256 nan 8.210 nan 0.000 0.437 217 D N 2.037 122.379 120.400 -0.095 0.000 2.255 217 D HA 0.124 4.764 4.640 0.000 0.000 0.249 217 D C 0.012 176.366 176.300 0.090 0.000 1.078 217 D CA -0.348 53.640 54.000 -0.020 0.000 0.896 217 D CB 1.073 41.828 40.800 -0.075 0.000 1.194 217 D HN -0.184 nan 8.370 nan 0.000 0.429 218 K N 0.402 120.850 120.400 0.079 0.000 2.527 218 K HA 0.216 4.536 4.320 0.000 0.000 0.278 218 K C 1.130 177.798 176.600 0.113 0.000 0.981 218 K CA 0.996 57.329 56.287 0.075 0.000 1.009 218 K CB 0.081 32.609 32.500 0.046 0.000 0.895 218 K HN 0.564 nan 8.250 nan 0.000 0.493 219 G N 2.933 111.762 108.800 0.048 0.000 2.336 219 G HA2 -0.298 3.662 3.960 0.000 0.000 0.233 219 G HA3 -0.298 3.662 3.960 0.000 0.000 0.233 219 G C -0.036 174.794 174.900 -0.118 0.000 1.053 219 G CA 0.310 45.387 45.100 -0.039 0.000 0.625 219 G HN 0.579 nan 8.290 nan 0.000 0.511 220 Y N 2.060 122.343 120.300 -0.028 0.000 2.623 220 Y HA 0.459 5.009 4.550 0.000 0.000 0.341 220 Y C 1.043 176.907 175.900 -0.059 0.000 1.292 220 Y CA 0.193 58.265 58.100 -0.046 0.000 1.840 220 Y CB 0.154 38.549 38.460 -0.109 0.000 1.865 220 Y HN 0.533 nan 8.280 nan 0.000 0.440 221 V N -0.294 119.632 119.914 0.019 0.000 3.074 221 V HA 0.836 4.956 4.120 0.000 0.000 0.314 221 V C -0.838 175.258 176.094 0.003 0.000 1.117 221 V CA -0.989 61.320 62.300 0.015 0.000 1.014 221 V CB 2.211 34.042 31.823 0.013 0.000 1.057 221 V HN 0.435 nan 8.190 nan 0.000 0.438 222 Q N 0.297 120.108 119.800 0.017 0.000 2.721 222 Q HA 0.499 4.839 4.340 0.000 0.000 0.282 222 Q C -1.048 174.988 176.000 0.060 0.000 0.932 222 Q CA -0.451 55.376 55.803 0.039 0.000 0.816 222 Q CB 1.579 30.312 28.738 -0.010 0.000 1.506 222 Q HN 1.121 nan 8.270 nan 0.000 0.399 223 T N -0.236 114.378 114.554 0.100 0.000 2.874 223 T HA 0.541 4.892 4.350 0.000 0.000 0.281 223 T C -0.145 174.626 174.700 0.119 0.000 0.994 223 T CA -0.636 61.521 62.100 0.095 0.000 1.015 223 T CB 0.623 69.556 68.868 0.108 0.000 1.028 223 T HN 0.582 nan 8.240 nan 0.000 0.523 224 N N 1.980 120.732 118.700 0.087 0.000 2.707 224 N HA 0.218 4.958 4.740 0.000 0.000 0.249 224 N C -1.819 173.714 175.510 0.038 0.000 1.299 224 N CA -0.426 52.669 53.050 0.076 0.000 0.769 224 N CB 1.269 39.765 38.487 0.016 0.000 1.236 224 N HN 0.600 nan 8.380 nan 0.000 0.524 225 D N 0.923 121.389 120.400 0.109 0.000 2.256 225 D HA 0.300 4.940 4.640 0.000 0.000 0.240 225 D C 0.143 176.508 176.300 0.108 0.000 1.062 225 D CA -0.225 53.820 54.000 0.074 0.000 0.832 225 D CB 2.629 43.495 40.800 0.110 0.000 1.135 225 D HN -0.034 nan 8.370 nan 0.000 0.484 226 V N 3.174 123.071 119.914 -0.028 0.000 2.427 226 V HA 0.246 4.366 4.120 0.000 0.000 0.286 226 V C 1.256 177.514 176.094 0.273 0.000 1.034 226 V CA -0.486 61.819 62.300 0.008 0.000 0.893 226 V CB 1.638 33.162 31.823 -0.499 0.000 0.982 226 V HN 0.477 nan 8.190 nan 0.000 0.452 227 L N 3.036 124.488 121.223 0.381 0.000 2.575 227 L HA 0.318 4.658 4.340 0.000 0.000 0.228 227 L C 0.720 177.804 176.870 0.358 0.000 1.075 227 L CA 0.337 55.408 54.840 0.386 0.000 0.867 227 L CB 0.446 42.648 42.059 0.239 0.000 1.097 227 L HN 0.814 nan 8.230 nan 0.000 0.485 228 S N -2.188 113.757 115.700 0.408 0.000 2.587 228 S HA 0.579 5.049 4.470 0.000 0.000 0.269 228 S C -2.208 172.754 174.600 0.602 0.000 1.154 228 S CA -0.706 57.634 58.200 0.233 0.000 0.824 228 S CB 2.339 65.663 63.200 0.207 0.000 1.118 228 S HN 0.142 nan 8.310 nan 0.000 0.462 229 W N 1.808 123.329 121.300 0.370 0.000 3.800 229 W HA 0.648 5.308 4.660 0.000 0.000 0.299 229 W C -1.491 175.396 176.519 0.613 0.000 1.231 229 W CA -0.131 57.618 57.345 0.674 0.000 1.232 229 W CB 1.424 31.498 29.460 1.022 0.000 1.291 229 W HN 1.330 nan 8.180 nan 0.000 0.514 230 S N 4.488 120.506 115.700 0.530 0.000 2.570 230 S HA 0.900 5.371 4.470 0.000 0.000 0.286 230 S C -1.556 172.928 174.600 -0.194 0.000 1.099 230 S CA -0.629 57.606 58.200 0.058 0.000 0.913 230 S CB 2.793 66.038 63.200 0.075 0.000 1.085 230 S HN 0.660 nan 8.310 nan 0.000 0.480 231 F N 0.539 119.936 119.950 -0.921 0.000 2.631 231 F HA 0.740 5.267 4.527 0.000 0.000 0.308 231 F C -1.274 174.085 175.800 -0.735 0.000 1.097 231 F CA -0.407 57.039 58.000 -0.924 0.000 0.952 231 F CB 1.879 39.934 39.000 -1.575 0.000 1.307 231 F HN 0.943 nan 8.300 nan 0.000 0.450 232 E N 3.017 122.454 120.200 -1.271 0.000 2.406 232 E HA 0.505 4.855 4.350 0.000 0.000 0.297 232 E C -2.047 173.971 176.600 -0.971 0.000 0.917 232 E CA -0.489 55.405 56.400 -0.844 0.000 0.795 232 E CB 1.657 31.095 29.700 -0.436 0.000 1.285 232 E HN 0.728 nan 8.360 nan 0.000 0.400 233 S N 3.300 118.574 115.700 -0.711 0.000 2.599 233 S HA 0.723 5.193 4.470 0.000 0.000 0.287 233 S C -0.848 173.644 174.600 -0.179 0.000 1.105 233 S CA -0.959 56.962 58.200 -0.465 0.000 0.899 233 S CB 1.767 64.570 63.200 -0.661 0.000 1.100 233 S HN 0.503 nan 8.310 nan 0.000 0.482 234 N N 0.268 118.935 118.700 -0.056 0.000 2.519 234 N HA 0.453 5.193 4.740 0.000 0.000 0.291 234 N C -2.075 173.464 175.510 0.048 0.000 1.107 234 N CA -0.497 52.548 53.050 -0.008 0.000 0.904 234 N CB 1.506 39.975 38.487 -0.030 0.000 1.500 234 N HN 0.701 nan 8.380 nan 0.000 0.510 235 L N 5.214 126.468 121.223 0.052 0.000 2.277 235 L HA 0.704 5.044 4.340 0.000 0.000 0.284 235 L C -2.468 174.426 176.870 0.040 0.000 1.028 235 L CA -1.844 53.031 54.840 0.059 0.000 0.835 235 L CB 0.880 42.957 42.059 0.030 0.000 1.215 235 L HN 0.507 nan 8.230 nan 0.000 0.425 236 P HA 0.195 nan 4.420 nan 0.000 0.266 236 P C -0.005 177.315 177.300 0.034 0.000 1.195 236 P CA 0.015 63.135 63.100 0.032 0.000 0.768 236 P CB 0.637 32.355 31.700 0.031 0.000 0.838 237 G N 0.000 108.817 108.800 0.029 0.000 5.446 237 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 237 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 237 G CA 0.000 45.118 45.100 0.030 0.000 0.502 237 G HN 0.000 nan 8.290 nan 0.000 0.925