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 2nuu_1_B DATA FIRST_RESID -2 DATA SEQUENCE HHHHHAVADK ADNAFMMICT ALVLFMTIPG IALFYGGLIR GKNVLSMLTQ DATA SEQUENCE VTVTFALVCI LWVVYGYSLA FGEGNNFFGN INWLMLKNIE LTAVMGSIYQ DATA SEQUENCE YIHVAFQGSF ACITVGLIVG ALAERIRFSA VLIFVVVWLT LSYIPIAHMV DATA SEQUENCE WGGGLLASHG ALDFAGGTVV HINAAIAGLV GAYLIGKRVG FGKEAFKPHN DATA SEQUENCE LPMVFTGTAI LYIGWFGFNA GSAGTANEIA ALAFVNTVVA TAAAILGWIF DATA SEQUENCE GEWALRGKPS LLGACSGAIA GLVGVTPACG YIGVGGALII GVVAGLAGLW DATA SEQUENCE GVTMLKRLLR VDDPCDVFGV HGVCGIVGCI MTGIFAASSL GGVGFAEGVT DATA SEQUENCE MGHQLLVQLE SIAITIVWSG VVAFIGYKLA DLTVGLRVPE EQEREGLDVN DATA SEQUENCE SHGENAYNA 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 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.437 175.328 0.182 0.000 0.993 -2 H CA 0.000 56.115 56.048 0.113 0.000 1.023 -2 H CB 0.000 29.816 29.762 0.089 0.000 1.292 -1 H N 0.818 120.127 119.070 0.397 0.000 2.462 -1 H HA -0.058 4.499 4.556 0.001 0.000 0.292 -1 H C 1.219 176.747 175.328 0.334 0.000 1.049 -1 H CA 1.451 57.669 56.048 0.283 0.000 1.334 -1 H CB -0.186 29.680 29.762 0.172 0.000 1.404 -1 H HN 0.588 nan 8.280 nan 0.000 0.544 0 H N -0.582 118.300 119.070 -0.313 0.000 2.529 0 H HA 0.086 4.643 4.556 0.001 0.000 0.277 0 H C 0.032 175.439 175.328 0.132 0.000 1.004 0 H CA -0.418 55.567 56.048 -0.105 0.000 1.167 0 H CB -1.390 28.228 29.762 -0.239 0.000 1.445 0 H HN 0.437 nan 8.280 nan 0.000 0.554 1 H N 1.845 120.836 119.070 -0.131 0.000 2.679 1 H HA 0.352 4.909 4.556 0.001 0.000 0.369 1 H C -0.352 175.016 175.328 0.067 0.000 1.178 1 H CA 0.284 56.240 56.048 -0.154 0.000 1.419 1 H CB 0.421 30.093 29.762 -0.149 0.000 1.458 1 H HN 0.658 nan 8.280 nan 0.000 0.605 2 H N 0.618 119.124 119.070 -0.939 0.000 3.068 2 H HA 0.597 5.153 4.556 0.001 0.000 0.342 2 H C -1.357 173.602 175.328 -0.616 0.000 1.284 2 H CA -0.758 54.944 56.048 -0.577 0.000 1.181 2 H CB 0.463 30.080 29.762 -0.241 0.000 1.898 2 H HN 0.813 nan 8.280 nan 0.000 0.540 3 A N 1.655 124.310 122.820 -0.275 0.000 2.407 3 A HA 0.473 4.793 4.320 0.001 0.000 0.248 3 A C -0.162 177.344 177.584 -0.131 0.000 1.082 3 A CA -0.327 51.593 52.037 -0.194 0.000 0.785 3 A CB 0.664 19.604 19.000 -0.101 0.000 1.020 3 A HN 0.636 nan 8.150 nan 0.000 0.489 4 V N 1.807 121.638 119.914 -0.139 0.000 2.472 4 V HA 0.591 4.712 4.120 0.001 0.000 0.290 4 V C 0.691 176.682 176.094 -0.171 0.000 1.037 4 V CA -0.056 62.174 62.300 -0.116 0.000 0.908 4 V CB 1.161 32.926 31.823 -0.098 0.000 0.985 4 V HN 1.312 nan 8.190 nan 0.000 0.454 5 A N 5.085 127.733 122.820 -0.286 0.000 2.401 5 A HA 0.334 4.655 4.320 0.001 0.000 0.259 5 A C 0.073 177.514 177.584 -0.237 0.000 1.103 5 A CA -0.261 51.529 52.037 -0.411 0.000 0.789 5 A CB 0.176 18.567 19.000 -1.014 0.000 1.035 5 A HN 0.894 nan 8.150 nan 0.000 0.491 6 D N 1.817 122.114 120.400 -0.172 0.000 2.249 6 D HA 0.176 4.817 4.640 0.001 0.000 0.246 6 D C 0.694 176.953 176.300 -0.067 0.000 1.114 6 D CA -0.209 53.733 54.000 -0.097 0.000 0.854 6 D CB 0.981 41.735 40.800 -0.077 0.000 1.132 6 D HN 0.552 nan 8.370 nan 0.000 0.461 7 K N 2.155 122.536 120.400 -0.031 0.000 2.209 7 K HA -0.119 4.202 4.320 0.001 0.000 0.204 7 K C 1.765 178.373 176.600 0.013 0.000 1.048 7 K CA 0.989 57.280 56.287 0.007 0.000 0.940 7 K CB 0.163 32.673 32.500 0.017 0.000 0.729 7 K HN 0.423 nan 8.250 nan 0.000 0.451 8 A N 1.653 124.471 122.820 -0.004 0.000 1.898 8 A HA -0.174 4.147 4.320 0.001 0.000 0.216 8 A C 1.511 179.120 177.584 0.041 0.000 1.181 8 A CA 1.702 53.741 52.037 0.002 0.000 0.620 8 A CB -0.254 18.724 19.000 -0.036 0.000 0.819 8 A HN 0.152 nan 8.150 nan 0.000 0.442 9 D N 0.058 120.471 120.400 0.022 0.000 2.183 9 D HA -0.097 4.544 4.640 0.001 0.000 0.203 9 D C 1.531 177.869 176.300 0.063 0.000 0.969 9 D CA 0.841 54.877 54.000 0.060 0.000 0.842 9 D CB -0.364 40.434 40.800 -0.004 0.000 0.957 9 D HN 0.313 nan 8.370 nan 0.000 0.484 10 N N 0.983 119.702 118.700 0.031 0.000 2.084 10 N HA -0.097 4.644 4.740 0.001 0.000 0.190 10 N C 1.773 177.320 175.510 0.061 0.000 1.030 10 N CA 1.328 54.408 53.050 0.050 0.000 0.849 10 N CB -0.353 38.184 38.487 0.083 0.000 1.012 10 N HN 0.118 nan 8.380 nan 0.000 0.423 11 A N 0.559 123.423 122.820 0.073 0.000 1.877 11 A HA -0.124 4.197 4.320 0.001 0.000 0.216 11 A C 2.149 179.800 177.584 0.111 0.000 1.186 11 A CA 1.005 53.089 52.037 0.078 0.000 0.620 11 A CB -1.020 18.024 19.000 0.073 0.000 0.822 11 A HN 0.272 nan 8.150 nan 0.000 0.443 12 F N 0.311 120.245 119.950 -0.027 0.000 2.095 12 F HA -0.192 4.336 4.527 0.001 0.000 0.298 12 F C 2.196 177.972 175.800 -0.041 0.000 1.104 12 F CA 1.966 59.950 58.000 -0.028 0.000 1.232 12 F CB -0.228 38.748 39.000 -0.041 0.000 0.987 12 F HN 0.099 nan 8.300 nan 0.000 0.475 13 M N -0.706 118.809 119.600 -0.142 0.000 2.374 13 M HA -0.155 4.325 4.480 0.001 0.000 0.264 13 M C 2.173 178.370 176.300 -0.173 0.000 1.067 13 M CA 1.255 56.369 55.300 -0.310 0.000 1.103 13 M CB -1.152 31.293 32.600 -0.258 0.000 1.402 13 M HN 0.316 nan 8.290 nan 0.000 0.444 14 M N -0.516 119.043 119.600 -0.067 0.000 2.193 14 M HA -0.111 4.370 4.480 0.001 0.000 0.265 14 M C 1.888 178.176 176.300 -0.021 0.000 1.071 14 M CA 0.959 56.252 55.300 -0.013 0.000 1.140 14 M CB -0.092 32.516 32.600 0.014 0.000 1.369 14 M HN 0.093 nan 8.290 nan 0.000 0.423 15 I N -0.058 120.485 120.570 -0.044 0.000 2.226 15 I HA -0.282 3.889 4.170 0.001 0.000 0.245 15 I C 2.476 178.563 176.117 -0.051 0.000 1.100 15 I CA 1.316 62.594 61.300 -0.036 0.000 1.374 15 I CB -1.611 36.383 38.000 -0.009 0.000 1.057 15 I HN 0.388 nan 8.210 nan 0.000 0.413 16 C N 0.603 119.810 119.300 -0.155 0.000 2.422 16 C HA -0.135 4.326 4.460 0.001 0.000 0.279 16 C C 2.967 178.037 174.990 0.133 0.000 1.305 16 C CA 1.349 60.312 59.018 -0.090 0.000 1.757 16 C CB -1.138 26.393 27.740 -0.348 0.000 1.962 16 C HN 0.535 nan 8.230 nan 0.000 0.499 17 T N 1.101 115.744 114.554 0.149 0.000 2.777 17 T HA -0.100 4.250 4.350 0.001 0.000 0.266 17 T C 2.145 176.903 174.700 0.097 0.000 1.040 17 T CA 1.554 63.779 62.100 0.209 0.000 1.141 17 T CB -0.391 68.581 68.868 0.173 0.000 0.868 17 T HN 0.632 nan 8.240 nan 0.000 0.444 18 A N 1.142 123.997 122.820 0.057 0.000 1.933 18 A HA 0.019 4.340 4.320 0.001 0.000 0.218 18 A C 2.279 179.896 177.584 0.055 0.000 1.175 18 A CA 1.163 53.219 52.037 0.031 0.000 0.628 18 A CB -0.810 18.180 19.000 -0.016 0.000 0.814 18 A HN 0.472 nan 8.150 nan 0.000 0.444 19 L N -0.621 120.649 121.223 0.079 0.000 2.056 19 L HA -0.126 4.215 4.340 0.001 0.000 0.207 19 L C 2.435 179.380 176.870 0.125 0.000 1.078 19 L CA 0.895 55.825 54.840 0.150 0.000 0.749 19 L CB -0.407 41.746 42.059 0.156 0.000 0.901 19 L HN 0.244 nan 8.230 nan 0.000 0.433 20 V N -0.108 119.836 119.914 0.050 0.000 2.515 20 V HA -0.247 3.874 4.120 0.001 0.000 0.250 20 V C 2.277 178.341 176.094 -0.050 0.000 1.058 20 V CA 1.386 63.642 62.300 -0.074 0.000 1.064 20 V CB -0.409 31.270 31.823 -0.240 0.000 0.675 20 V HN 0.351 nan 8.190 nan 0.000 0.461 21 L N -1.486 119.759 121.223 0.037 0.000 2.156 21 L HA -0.077 4.263 4.340 0.001 0.000 0.208 21 L C 2.348 179.258 176.870 0.067 0.000 1.095 21 L CA 1.195 56.082 54.840 0.078 0.000 0.770 21 L CB -0.568 41.568 42.059 0.127 0.000 0.914 21 L HN 0.284 nan 8.230 nan 0.000 0.439 22 F N 0.788 120.686 119.950 -0.087 0.000 2.216 22 F HA -0.207 4.322 4.527 0.002 0.000 0.300 22 F C 2.348 178.074 175.800 -0.124 0.000 1.085 22 F CA 1.312 59.255 58.000 -0.095 0.000 1.326 22 F CB -0.318 38.650 39.000 -0.053 0.000 1.027 22 F HN 0.011 nan 8.300 nan 0.000 0.497 23 M N -1.098 118.429 119.600 -0.122 0.000 2.213 23 M HA -0.193 4.288 4.480 0.001 0.000 0.263 23 M C 1.781 177.918 176.300 -0.271 0.000 1.062 23 M CA 2.111 57.246 55.300 -0.275 0.000 1.105 23 M CB -0.632 31.765 32.600 -0.339 0.000 1.385 23 M HN 0.014 nan 8.290 nan 0.000 0.417 24 T N -0.095 114.337 114.554 -0.203 0.000 2.925 24 T HA 0.180 4.531 4.350 0.001 0.000 0.245 24 T C 0.794 175.356 174.700 -0.231 0.000 1.025 24 T CA 0.517 62.507 62.100 -0.184 0.000 1.149 24 T CB 0.407 69.223 68.868 -0.086 0.000 0.866 24 T HN 0.022 nan 8.240 nan 0.000 0.437 25 I N 3.484 123.888 120.570 -0.277 0.000 2.388 25 I HA 0.287 4.458 4.170 0.001 0.000 0.281 25 I C -2.116 173.947 176.117 -0.090 0.000 1.046 25 I CA -2.829 58.305 61.300 -0.277 0.000 1.187 25 I CB 1.195 38.876 38.000 -0.532 0.000 1.351 25 I HN 0.052 nan 8.210 nan 0.000 0.472 26 P HA 0.165 nan 4.420 nan 0.000 0.275 26 P C 1.294 178.470 177.300 -0.206 0.000 1.310 26 P CA 0.141 63.151 63.100 -0.150 0.000 0.904 26 P CB 0.921 32.571 31.700 -0.083 0.000 1.381 27 G N 2.286 110.890 108.800 -0.326 0.000 2.875 27 G HA2 -0.344 3.617 3.960 0.001 0.000 0.227 27 G HA3 -0.344 3.617 3.960 0.001 0.000 0.227 27 G C 1.302 176.071 174.900 -0.219 0.000 1.259 27 G CA 1.359 46.260 45.100 -0.331 0.000 0.780 27 G HN 0.292 nan 8.290 nan 0.000 0.685 28 I N 1.842 122.267 120.570 -0.241 0.000 2.454 28 I HA -0.001 4.170 4.170 0.001 0.000 0.254 28 I C 2.995 179.012 176.117 -0.168 0.000 1.156 28 I CA 1.447 62.575 61.300 -0.286 0.000 1.433 28 I CB -0.384 37.400 38.000 -0.360 0.000 1.082 28 I HN 0.273 nan 8.210 nan 0.000 0.432 29 A N -0.026 122.746 122.820 -0.081 0.000 1.898 29 A HA -0.133 4.188 4.320 0.001 0.000 0.216 29 A C 2.272 179.881 177.584 0.042 0.000 1.181 29 A CA 1.657 53.700 52.037 0.009 0.000 0.620 29 A CB -0.829 18.158 19.000 -0.021 0.000 0.819 29 A HN 0.467 nan 8.150 nan 0.000 0.442 30 L N -2.332 118.895 121.223 0.007 0.000 2.072 30 L HA -0.083 4.258 4.340 0.001 0.000 0.205 30 L C 2.441 179.356 176.870 0.076 0.000 1.079 30 L CA 1.230 56.090 54.840 0.034 0.000 0.752 30 L CB -0.521 41.534 42.059 -0.006 0.000 0.906 30 L HN 0.464 nan 8.230 nan 0.000 0.436 31 F N 0.053 119.943 119.950 -0.100 0.000 2.046 31 F HA -0.311 4.217 4.527 0.002 0.000 0.297 31 F C 2.450 178.292 175.800 0.070 0.000 1.123 31 F CA 1.740 59.689 58.000 -0.085 0.000 1.199 31 F CB -0.387 38.481 39.000 -0.219 0.000 0.972 31 F HN -0.038 nan 8.300 nan 0.000 0.474 32 Y N 0.497 120.843 120.300 0.078 0.000 2.200 32 Y HA 0.025 4.576 4.550 0.002 0.000 0.290 32 Y C 2.761 178.662 175.900 0.000 0.000 1.137 32 Y CA 0.681 58.782 58.100 0.000 0.000 1.163 32 Y CB -1.578 36.937 38.460 0.091 0.000 0.988 32 Y HN 0.131 nan 8.280 nan 0.000 0.518 33 G N -0.395 108.529 108.800 0.207 0.000 2.440 33 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 33 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 33 G C 2.067 177.117 174.900 0.250 0.000 1.154 33 G CA 1.067 46.282 45.100 0.192 0.000 0.767 33 G HN 0.527 nan 8.290 nan 0.000 0.552 34 G N 0.461 109.320 108.800 0.100 0.000 2.448 34 G HA2 -0.037 3.924 3.960 0.001 0.000 0.218 34 G HA3 -0.037 3.924 3.960 0.001 0.000 0.218 34 G C 1.726 176.607 174.900 -0.031 0.000 1.135 34 G CA 0.407 45.475 45.100 -0.053 0.000 0.784 34 G HN 0.432 nan 8.290 nan 0.000 0.543 35 L N 0.614 121.817 121.223 -0.033 0.000 2.291 35 L HA 0.219 4.560 4.340 0.001 0.000 0.214 35 L C 1.606 178.519 176.870 0.072 0.000 1.120 35 L CA 0.050 54.868 54.840 -0.037 0.000 0.799 35 L CB -0.308 41.683 42.059 -0.112 0.000 0.925 35 L HN 0.376 nan 8.230 nan 0.000 0.446 36 I N -3.020 117.636 120.570 0.143 0.000 3.501 36 I HA 0.346 4.516 4.170 0.001 0.000 0.297 36 I C 0.317 176.553 176.117 0.199 0.000 1.199 36 I CA -1.094 60.297 61.300 0.151 0.000 0.987 36 I CB 0.716 38.776 38.000 0.100 0.000 1.365 36 I HN -0.173 nan 8.210 nan 0.000 0.574 37 R N 0.651 121.207 120.500 0.093 0.000 2.582 37 R HA 0.258 4.599 4.340 0.001 0.000 0.271 37 R C 1.328 177.508 176.300 -0.199 0.000 1.078 37 R CA 0.351 56.460 56.100 0.015 0.000 1.127 37 R CB 0.796 31.091 30.300 -0.009 0.000 1.038 37 R HN 0.916 nan 8.270 nan 0.000 0.500 38 G N 2.212 110.841 108.800 -0.286 0.000 2.503 38 G HA2 -0.356 3.605 3.960 0.001 0.000 0.221 38 G HA3 -0.356 3.605 3.960 0.001 0.000 0.221 38 G C 1.112 175.880 174.900 -0.219 0.000 1.131 38 G CA 1.147 45.997 45.100 -0.418 0.000 0.756 38 G HN 0.705 nan 8.290 nan 0.000 0.572 39 K N -0.300 120.030 120.400 -0.117 0.000 2.442 39 K HA 0.056 4.377 4.320 0.001 0.000 0.198 39 K C 1.088 177.647 176.600 -0.068 0.000 1.042 39 K CA 1.141 57.382 56.287 -0.075 0.000 0.958 39 K CB 0.025 32.498 32.500 -0.046 0.000 0.766 39 K HN 0.199 nan 8.250 nan 0.000 0.474 40 N N 0.630 119.281 118.700 -0.082 0.000 2.159 40 N HA -0.026 4.715 4.740 0.001 0.000 0.217 40 N C 1.243 176.725 175.510 -0.046 0.000 1.223 40 N CA 0.098 53.126 53.050 -0.036 0.000 0.896 40 N CB 1.037 39.527 38.487 0.004 0.000 1.064 40 N HN 0.018 nan 8.380 nan 0.000 0.518 41 V N 1.734 121.576 119.914 -0.119 0.000 2.287 41 V HA -0.176 3.944 4.120 0.001 0.000 0.248 41 V C 2.031 178.086 176.094 -0.065 0.000 1.053 41 V CA 1.586 63.842 62.300 -0.072 0.000 1.027 41 V CB -0.277 31.485 31.823 -0.102 0.000 0.646 41 V HN 0.196 nan 8.190 nan 0.000 0.447 42 L N 0.927 122.078 121.223 -0.121 0.000 2.079 42 L HA -0.169 4.172 4.340 0.001 0.000 0.210 42 L C 2.826 179.569 176.870 -0.212 0.000 1.081 42 L CA 2.037 56.779 54.840 -0.163 0.000 0.752 42 L CB -1.096 40.859 42.059 -0.174 0.000 0.896 42 L HN 0.633 nan 8.230 nan 0.000 0.433 43 S N -0.193 115.449 115.700 -0.097 0.000 2.383 43 S HA -0.280 4.191 4.470 0.001 0.000 0.229 43 S C 1.947 176.555 174.600 0.015 0.000 1.030 43 S CA 1.551 59.745 58.200 -0.010 0.000 1.002 43 S CB -0.426 62.872 63.200 0.164 0.000 0.829 43 S HN 0.318 nan 8.310 nan 0.000 0.467 44 M N 1.983 121.600 119.600 0.029 0.000 2.123 44 M HA 0.225 4.705 4.480 0.001 0.000 0.263 44 M C 1.939 178.273 176.300 0.057 0.000 1.069 44 M CA 1.393 56.741 55.300 0.081 0.000 1.133 44 M CB -0.844 31.823 32.600 0.112 0.000 1.356 44 M HN 0.354 nan 8.290 nan 0.000 0.415 45 L N -1.146 120.074 121.223 -0.005 0.000 2.042 45 L HA -0.221 4.120 4.340 0.001 0.000 0.210 45 L C 2.145 178.984 176.870 -0.052 0.000 1.076 45 L CA 1.754 56.577 54.840 -0.029 0.000 0.749 45 L CB -1.640 40.383 42.059 -0.060 0.000 0.893 45 L HN 0.333 nan 8.230 nan 0.000 0.432 46 T N -1.080 113.383 114.554 -0.151 0.000 2.777 46 T HA -0.192 4.159 4.350 0.001 0.000 0.266 46 T C 1.933 176.705 174.700 0.120 0.000 1.040 46 T CA 1.138 63.133 62.100 -0.175 0.000 1.141 46 T CB -0.165 68.281 68.868 -0.703 0.000 0.868 46 T HN 0.345 nan 8.240 nan 0.000 0.444 47 Q N 0.277 120.203 119.800 0.211 0.000 2.061 47 Q HA -0.083 4.258 4.340 0.001 0.000 0.204 47 Q C 2.575 178.714 176.000 0.232 0.000 0.984 47 Q CA 1.226 57.242 55.803 0.355 0.000 0.846 47 Q CB -0.421 28.497 28.738 0.300 0.000 0.902 47 Q HN 0.310 nan 8.270 nan 0.000 0.421 48 V N 0.438 120.451 119.914 0.165 0.000 2.295 48 V HA -0.269 3.852 4.120 0.001 0.000 0.246 48 V C 2.169 178.348 176.094 0.142 0.000 1.049 48 V CA 2.209 64.591 62.300 0.137 0.000 1.024 48 V CB -0.790 31.086 31.823 0.088 0.000 0.648 48 V HN 0.472 nan 8.190 nan 0.000 0.447 49 T N -0.142 114.474 114.554 0.104 0.000 2.708 49 T HA -0.156 4.195 4.350 0.001 0.000 0.266 49 T C 1.906 176.740 174.700 0.223 0.000 1.037 49 T CA 1.712 63.875 62.100 0.105 0.000 1.146 49 T CB -0.247 68.648 68.868 0.045 0.000 0.865 49 T HN 0.289 nan 8.240 nan 0.000 0.435 50 V N 2.252 122.305 119.914 0.233 0.000 2.379 50 V HA -0.146 3.975 4.120 0.001 0.000 0.245 50 V C 3.029 179.237 176.094 0.191 0.000 1.044 50 V CA 2.014 64.464 62.300 0.250 0.000 1.036 50 V CB -1.303 30.756 31.823 0.394 0.000 0.664 50 V HN 0.726 nan 8.190 nan 0.000 0.453 51 T N -1.413 113.248 114.554 0.179 0.000 2.867 51 T HA -0.233 4.118 4.350 0.001 0.000 0.268 51 T C 1.823 176.595 174.700 0.121 0.000 1.057 51 T CA 1.607 63.778 62.100 0.119 0.000 1.136 51 T CB -0.647 68.290 68.868 0.115 0.000 0.874 51 T HN 0.397 nan 8.240 nan 0.000 0.466 52 F N 2.871 122.835 119.950 0.024 0.000 2.126 52 F HA 0.080 4.608 4.527 0.001 0.000 0.299 52 F C 2.564 178.364 175.800 -0.000 0.000 1.096 52 F CA 1.025 59.022 58.000 -0.005 0.000 1.255 52 F CB -0.812 38.185 39.000 -0.004 0.000 0.997 52 F HN 0.263 nan 8.300 nan 0.000 0.479 53 A N 0.515 123.403 122.820 0.113 0.000 1.877 53 A HA -0.146 4.175 4.320 0.001 0.000 0.216 53 A C 2.102 179.647 177.584 -0.066 0.000 1.186 53 A CA 1.638 53.681 52.037 0.010 0.000 0.620 53 A CB -1.339 17.742 19.000 0.136 0.000 0.822 53 A HN 0.468 nan 8.150 nan 0.000 0.443 54 L N 0.042 121.258 121.223 -0.012 0.000 2.012 54 L HA -0.144 4.197 4.340 0.001 0.000 0.210 54 L C 2.491 179.325 176.870 -0.061 0.000 1.073 54 L CA 1.966 56.795 54.840 -0.018 0.000 0.748 54 L CB -0.744 41.319 42.059 0.006 0.000 0.891 54 L HN 0.180 nan 8.230 nan 0.000 0.431 55 V N -1.400 118.454 119.914 -0.100 0.000 2.343 55 V HA -0.353 3.768 4.120 0.001 0.000 0.247 55 V C 2.667 178.668 176.094 -0.154 0.000 1.051 55 V CA 1.786 64.011 62.300 -0.125 0.000 1.036 55 V CB -0.649 31.076 31.823 -0.163 0.000 0.654 55 V HN 0.614 nan 8.190 nan 0.000 0.451 56 C N -0.212 118.910 119.300 -0.296 0.000 2.413 56 C HA -0.173 4.288 4.460 0.001 0.000 0.276 56 C C 2.578 177.516 174.990 -0.086 0.000 1.236 56 C CA 0.728 59.585 59.018 -0.268 0.000 1.735 56 C CB -0.976 26.515 27.740 -0.416 0.000 2.031 56 C HN 0.472 nan 8.230 nan 0.000 0.474 57 I N 0.760 121.279 120.570 -0.085 0.000 2.163 57 I HA -0.136 4.035 4.170 0.001 0.000 0.240 57 I C 2.402 178.476 176.117 -0.072 0.000 1.081 57 I CA 1.702 62.972 61.300 -0.049 0.000 1.353 57 I CB -1.547 36.435 38.000 -0.030 0.000 1.054 57 I HN 0.343 nan 8.210 nan 0.000 0.407 58 L N -0.696 120.463 121.223 -0.107 0.000 2.079 58 L HA -0.260 4.081 4.340 0.001 0.000 0.210 58 L C 2.627 179.293 176.870 -0.340 0.000 1.081 58 L CA 1.470 56.136 54.840 -0.289 0.000 0.752 58 L CB -0.647 41.263 42.059 -0.247 0.000 0.896 58 L HN 0.446 nan 8.230 nan 0.000 0.433 59 W N 1.037 122.172 121.300 -0.275 0.000 2.355 59 W HA -0.201 4.460 4.660 0.001 0.000 0.309 59 W C 2.317 178.776 176.519 -0.099 0.000 1.206 59 W CA 2.459 59.706 57.345 -0.164 0.000 1.284 59 W CB 0.010 29.399 29.460 -0.118 0.000 1.145 59 W HN 0.171 nan 8.180 nan 0.000 0.502 60 V N -1.275 118.631 119.914 -0.014 0.000 2.719 60 V HA -0.185 3.935 4.120 0.001 0.000 0.252 60 V C 1.907 177.942 176.094 -0.098 0.000 1.065 60 V CA 1.437 63.686 62.300 -0.086 0.000 1.086 60 V CB -1.194 30.602 31.823 -0.044 0.000 0.700 60 V HN -0.000 nan 8.190 nan 0.000 0.467 61 V N 0.986 120.832 119.914 -0.112 0.000 2.283 61 V HA -0.135 3.986 4.120 0.001 0.000 0.243 61 V C 2.233 178.350 176.094 0.037 0.000 1.039 61 V CA 2.816 65.093 62.300 -0.039 0.000 1.016 61 V CB -0.644 31.173 31.823 -0.010 0.000 0.650 61 V HN 0.875 nan 8.190 nan 0.000 0.449 62 Y N -2.153 118.132 120.300 -0.024 0.000 2.532 62 Y HA 0.546 5.096 4.550 0.001 0.000 0.282 62 Y C 1.845 177.689 175.900 -0.093 0.000 1.013 62 Y CA 0.249 58.330 58.100 -0.032 0.000 1.159 62 Y CB -0.597 37.856 38.460 -0.011 0.000 1.393 62 Y HN -0.018 nan 8.280 nan 0.000 0.580 63 G N 1.180 109.742 108.800 -0.396 0.000 2.459 63 G HA2 -0.351 3.610 3.960 0.001 0.000 0.217 63 G HA3 -0.351 3.610 3.960 0.001 0.000 0.217 63 G C 1.428 175.885 174.900 -0.739 0.000 1.183 63 G CA 1.544 46.401 45.100 -0.406 0.000 0.776 63 G HN 0.498 nan 8.290 nan 0.000 0.552 64 Y N 1.554 121.132 120.300 -1.202 0.000 2.145 64 Y HA -0.125 4.426 4.550 0.001 0.000 0.286 64 Y C 3.161 178.993 175.900 -0.113 0.000 1.145 64 Y CA 1.791 59.342 58.100 -0.916 0.000 1.148 64 Y CB -0.563 37.477 38.460 -0.701 0.000 0.981 64 Y HN 0.243 nan 8.280 nan 0.000 0.507 65 S N -0.133 115.568 115.700 0.002 0.000 2.359 65 S HA -0.181 4.290 4.470 0.001 0.000 0.224 65 S C 1.991 176.559 174.600 -0.053 0.000 1.035 65 S CA 1.728 60.008 58.200 0.132 0.000 1.018 65 S CB -0.615 62.703 63.200 0.198 0.000 0.876 65 S HN 0.530 nan 8.310 nan 0.000 0.448 66 L N 0.414 121.610 121.223 -0.045 0.000 2.376 66 L HA 0.080 4.421 4.340 0.001 0.000 0.219 66 L C 2.508 179.282 176.870 -0.160 0.000 1.133 66 L CA 0.820 55.638 54.840 -0.038 0.000 0.816 66 L CB -0.419 41.721 42.059 0.135 0.000 0.933 66 L HN 0.424 nan 8.230 nan 0.000 0.449 67 A N -0.971 121.715 122.820 -0.223 0.000 1.942 67 A HA 0.086 4.406 4.320 0.001 0.000 0.209 67 A C 1.417 178.734 177.584 -0.446 0.000 1.214 67 A CA 0.503 52.333 52.037 -0.346 0.000 0.686 67 A CB -0.091 18.718 19.000 -0.319 0.000 0.871 67 A HN 0.322 nan 8.150 nan 0.000 0.460 68 F N 0.048 119.927 119.950 -0.118 0.000 2.683 68 F HA 0.366 4.893 4.527 0.001 0.000 0.306 68 F C 1.288 177.102 175.800 0.025 0.000 1.102 68 F CA -0.221 57.752 58.000 -0.046 0.000 1.244 68 F CB 0.542 39.432 39.000 -0.183 0.000 1.029 68 F HN 0.221 nan 8.300 nan 0.000 0.545 69 G N 0.938 109.727 108.800 -0.020 0.000 2.425 69 G HA2 0.386 4.347 3.960 0.001 0.000 0.302 69 G HA3 0.386 4.347 3.960 0.001 0.000 0.302 69 G C -0.422 174.389 174.900 -0.148 0.000 1.159 69 G CA -0.550 44.330 45.100 -0.367 0.000 0.865 69 G HN 0.235 nan 8.290 nan 0.000 0.515 70 E N 0.438 120.510 120.200 -0.214 0.000 2.354 70 E HA 0.579 4.930 4.350 0.001 0.000 0.269 70 E C 0.371 176.923 176.600 -0.080 0.000 1.036 70 E CA -0.068 56.291 56.400 -0.069 0.000 0.876 70 E CB 1.549 31.203 29.700 -0.077 0.000 1.009 70 E HN 0.712 nan 8.360 nan 0.000 0.416 71 G N 2.628 111.419 108.800 -0.013 0.000 2.539 71 G HA2 0.046 4.007 3.960 0.001 0.000 0.138 71 G HA3 0.046 4.007 3.960 0.001 0.000 0.138 71 G C -0.725 174.172 174.900 -0.005 0.000 1.148 71 G CA -0.125 44.950 45.100 -0.041 0.000 1.057 71 G HN 0.681 nan 8.290 nan 0.000 0.511 72 N N 0.068 118.760 118.700 -0.013 0.000 2.385 72 N HA 0.229 4.970 4.740 0.001 0.000 0.291 72 N C 0.681 176.152 175.510 -0.065 0.000 1.298 72 N CA -0.073 52.955 53.050 -0.037 0.000 0.955 72 N CB 0.166 38.647 38.487 -0.011 0.000 1.096 72 N HN 0.270 nan 8.380 nan 0.000 0.543 73 N N -1.400 117.110 118.700 -0.316 0.000 2.463 73 N HA 0.091 4.832 4.740 0.001 0.000 0.181 73 N C 0.513 175.681 175.510 -0.570 0.000 1.078 73 N CA 0.594 53.325 53.050 -0.531 0.000 0.902 73 N CB -0.191 37.795 38.487 -0.834 0.000 0.970 73 N HN 0.486 nan 8.380 nan 0.000 0.451 74 F N -1.473 118.503 119.950 0.043 0.000 2.514 74 F HA 0.309 4.837 4.527 0.001 0.000 0.281 74 F C 0.526 176.130 175.800 -0.326 0.000 1.060 74 F CA -0.150 57.807 58.000 -0.072 0.000 1.397 74 F CB 0.246 39.337 39.000 0.151 0.000 1.129 74 F HN -0.221 nan 8.300 nan 0.000 0.620 75 F N -0.426 119.409 119.950 -0.192 0.000 2.611 75 F HA 0.640 5.168 4.527 0.001 0.000 0.324 75 F C 0.866 176.146 175.800 -0.868 0.000 1.061 75 F CA -1.093 56.624 58.000 -0.471 0.000 0.954 75 F CB 1.006 39.892 39.000 -0.192 0.000 1.301 75 F HN -0.116 nan 8.300 nan 0.000 0.482 76 G N 0.095 108.566 108.800 -0.548 0.000 2.975 76 G HA2 0.283 4.244 3.960 0.001 0.000 0.159 76 G HA3 0.283 4.244 3.960 0.001 0.000 0.159 76 G C -0.970 173.806 174.900 -0.207 0.000 1.525 76 G CA -0.674 44.176 45.100 -0.416 0.000 1.075 76 G HN 0.716 nan 8.290 nan 0.000 0.574 77 N N -1.368 117.202 118.700 -0.217 0.000 2.402 77 N HA 0.343 5.084 4.740 0.001 0.000 0.294 77 N C 0.257 175.670 175.510 -0.163 0.000 1.203 77 N CA -0.782 52.143 53.050 -0.209 0.000 0.838 77 N CB 2.737 41.052 38.487 -0.287 0.000 1.306 77 N HN 0.224 nan 8.380 nan 0.000 0.510 78 I N 0.679 121.173 120.570 -0.127 0.000 3.419 78 I HA -0.067 4.104 4.170 0.001 0.000 0.286 78 I C 1.439 177.532 176.117 -0.040 0.000 1.268 78 I CA 0.022 61.282 61.300 -0.067 0.000 1.414 78 I CB -0.450 37.510 38.000 -0.067 0.000 1.074 78 I HN 0.582 nan 8.210 nan 0.000 0.457 79 N N 0.514 119.146 118.700 -0.113 0.000 2.192 79 N HA -0.212 4.529 4.740 0.001 0.000 0.188 79 N C 0.256 175.828 175.510 0.104 0.000 1.013 79 N CA 1.061 54.062 53.050 -0.081 0.000 0.863 79 N CB -0.036 38.319 38.487 -0.220 0.000 0.990 79 N HN 0.318 nan 8.380 nan 0.000 0.430 80 W N 1.627 122.951 121.300 0.039 0.000 2.269 80 W HA 0.347 5.007 4.660 0.001 0.000 0.402 80 W C -0.626 175.922 176.519 0.048 0.000 0.654 80 W CA -1.054 56.328 57.345 0.061 0.000 2.299 80 W CB -1.174 28.349 29.460 0.105 0.000 1.621 80 W HN -0.017 nan 8.180 nan 0.000 0.677 81 L N 1.680 123.037 121.223 0.223 0.000 2.380 81 L HA 0.125 4.466 4.340 0.001 0.000 0.273 81 L C 1.274 178.213 176.870 0.115 0.000 1.138 81 L CA 0.131 55.061 54.840 0.149 0.000 0.832 81 L CB 0.399 42.524 42.059 0.110 0.000 1.124 81 L HN 0.066 nan 8.230 nan 0.000 0.454 82 M N 4.797 124.443 119.600 0.077 0.000 2.612 82 M HA -0.264 4.217 4.480 0.001 0.000 0.194 82 M C 0.715 177.027 176.300 0.019 0.000 0.530 82 M CA 0.628 55.951 55.300 0.038 0.000 0.548 82 M CB -1.540 31.088 32.600 0.047 0.000 2.013 82 M HN 0.751 nan 8.290 nan 0.000 0.711 83 L N -2.059 119.175 121.223 0.020 0.000 4.496 83 L HA -0.264 4.077 4.340 0.001 0.000 0.419 83 L C 0.958 177.850 176.870 0.037 0.000 1.139 83 L CA 1.528 56.342 54.840 -0.044 0.000 0.975 83 L CB -1.836 40.077 42.059 -0.243 0.000 2.099 83 L HN 0.664 nan 8.230 nan 0.000 0.818 84 K N 0.240 120.702 120.400 0.102 0.000 2.380 84 K HA 0.190 4.511 4.320 0.001 0.000 0.267 84 K C 1.073 177.777 176.600 0.173 0.000 0.990 84 K CA 0.279 56.638 56.287 0.120 0.000 0.946 84 K CB 0.286 32.853 32.500 0.112 0.000 0.937 84 K HN 0.216 nan 8.250 nan 0.000 0.491 85 N N -0.342 118.448 118.700 0.150 0.000 2.828 85 N HA -0.189 4.552 4.740 0.001 0.000 0.248 85 N C -0.991 174.614 175.510 0.159 0.000 1.044 85 N CA 1.321 54.484 53.050 0.188 0.000 0.851 85 N CB -1.232 37.418 38.487 0.271 0.000 1.136 85 N HN 0.650 nan 8.380 nan 0.000 0.572 86 I N 1.868 122.466 120.570 0.047 0.000 2.371 86 I HA 0.108 4.279 4.170 0.001 0.000 0.282 86 I C 0.428 176.579 176.117 0.058 0.000 1.031 86 I CA -0.557 60.707 61.300 -0.060 0.000 1.180 86 I CB 0.978 38.824 38.000 -0.258 0.000 1.336 86 I HN -0.152 nan 8.210 nan 0.000 0.467 87 E N 4.469 124.689 120.200 0.033 0.000 2.437 87 E HA -0.055 4.296 4.350 0.001 0.000 0.263 87 E C 0.850 177.420 176.600 -0.051 0.000 1.030 87 E CA -0.239 56.158 56.400 -0.004 0.000 0.934 87 E CB 1.465 31.155 29.700 -0.016 0.000 0.943 87 E HN 0.443 nan 8.360 nan 0.000 0.444 88 L N 3.197 124.309 121.223 -0.186 0.000 2.191 88 L HA -0.148 4.193 4.340 0.001 0.000 0.212 88 L C 1.949 178.629 176.870 -0.317 0.000 1.103 88 L CA 2.242 56.826 54.840 -0.426 0.000 0.769 88 L CB -0.761 40.987 42.059 -0.518 0.000 0.908 88 L HN 0.691 nan 8.230 nan 0.000 0.438 89 T N -3.084 111.382 114.554 -0.147 0.000 3.144 89 T HA 0.419 4.770 4.350 0.001 0.000 0.249 89 T C 0.821 175.638 174.700 0.196 0.000 1.089 89 T CA 0.077 62.196 62.100 0.030 0.000 0.989 89 T CB -0.551 68.325 68.868 0.013 0.000 0.992 89 T HN 0.336 nan 8.240 nan 0.000 0.540 90 A N 1.324 124.211 122.820 0.112 0.000 2.488 90 A HA 0.544 4.864 4.320 0.001 0.000 0.249 90 A C 0.102 177.762 177.584 0.127 0.000 1.083 90 A CA -0.340 51.749 52.037 0.086 0.000 0.768 90 A CB 0.119 19.143 19.000 0.040 0.000 1.017 90 A HN 0.405 nan 8.150 nan 0.000 0.496 91 V N 4.240 124.180 119.914 0.043 0.000 2.384 91 V HA 0.376 4.496 4.120 0.001 0.000 0.287 91 V C -0.053 176.012 176.094 -0.048 0.000 1.020 91 V CA -0.313 61.964 62.300 -0.039 0.000 0.850 91 V CB 1.281 33.040 31.823 -0.107 0.000 0.987 91 V HN 0.943 nan 8.190 nan 0.000 0.436 92 M N 5.988 125.540 119.600 -0.081 0.000 2.103 92 M HA 0.684 5.165 4.480 0.001 0.000 0.350 92 M C 0.591 176.800 176.300 -0.152 0.000 1.100 92 M CA 0.887 56.108 55.300 -0.132 0.000 1.042 92 M CB -0.205 32.257 32.600 -0.229 0.000 1.368 92 M HN 0.993 nan 8.290 nan 0.000 0.404 93 G N 3.028 111.760 108.800 -0.113 0.000 2.779 93 G HA2 -0.283 3.678 3.960 0.001 0.000 0.284 93 G HA3 -0.283 3.678 3.960 0.001 0.000 0.284 93 G C 0.298 175.139 174.900 -0.099 0.000 1.326 93 G CA 0.465 45.506 45.100 -0.099 0.000 0.983 93 G HN 1.481 nan 8.290 nan 0.000 0.555 94 S N 0.419 116.052 115.700 -0.111 0.000 2.855 94 S HA 0.653 5.124 4.470 0.001 0.000 0.249 94 S C 0.314 174.816 174.600 -0.163 0.000 1.033 94 S CA 0.543 58.669 58.200 -0.124 0.000 1.038 94 S CB -0.428 62.719 63.200 -0.090 0.000 0.960 94 S HN 1.803 nan 8.310 nan 0.000 0.548 95 I N -2.964 117.501 120.570 -0.176 0.000 3.074 95 I HA 0.686 4.857 4.170 0.001 0.000 0.310 95 I C -1.102 174.901 176.117 -0.190 0.000 1.153 95 I CA -1.867 59.322 61.300 -0.184 0.000 0.993 95 I CB 0.993 38.944 38.000 -0.082 0.000 1.237 95 I HN -0.056 nan 8.210 nan 0.000 0.443 96 Y N 1.520 121.811 120.300 -0.017 0.000 2.411 96 Y HA 0.085 4.636 4.550 0.001 0.000 0.333 96 Y C 1.663 177.572 175.900 0.015 0.000 1.186 96 Y CA 0.350 58.445 58.100 -0.008 0.000 1.381 96 Y CB 0.796 39.249 38.460 -0.012 0.000 1.273 96 Y HN 0.661 nan 8.280 nan 0.000 0.546 97 Q N 1.489 121.403 119.800 0.190 0.000 2.170 97 Q HA -0.232 4.109 4.340 0.001 0.000 0.203 97 Q C 1.282 177.323 176.000 0.070 0.000 0.976 97 Q CA 1.530 57.388 55.803 0.091 0.000 0.858 97 Q CB -0.116 28.621 28.738 -0.002 0.000 0.907 97 Q HN 0.828 nan 8.270 nan 0.000 0.433 98 Y N 0.322 120.584 120.300 -0.063 0.000 2.256 98 Y HA -0.239 4.311 4.550 0.002 0.000 0.288 98 Y C 1.895 177.755 175.900 -0.066 0.000 1.155 98 Y CA 1.169 59.205 58.100 -0.107 0.000 1.203 98 Y CB -0.113 38.291 38.460 -0.093 0.000 0.980 98 Y HN 0.172 nan 8.280 nan 0.000 0.530 99 I N -1.449 119.209 120.570 0.146 0.000 2.252 99 I HA -0.327 3.844 4.170 0.001 0.000 0.245 99 I C 2.573 178.729 176.117 0.065 0.000 1.102 99 I CA 1.539 62.895 61.300 0.092 0.000 1.385 99 I CB -0.620 37.434 38.000 0.091 0.000 1.064 99 I HN 0.322 nan 8.210 nan 0.000 0.414 100 H N 1.199 120.240 119.070 -0.049 0.000 2.353 100 H HA -0.141 4.416 4.556 0.001 0.000 0.300 100 H C 2.358 177.630 175.328 -0.093 0.000 1.090 100 H CA 1.942 57.952 56.048 -0.065 0.000 1.327 100 H CB 0.228 29.940 29.762 -0.083 0.000 1.383 100 H HN 0.097 nan 8.280 nan 0.000 0.508 101 V N 1.357 121.058 119.914 -0.355 0.000 2.252 101 V HA -0.315 3.806 4.120 0.001 0.000 0.249 101 V C 3.032 179.083 176.094 -0.072 0.000 1.056 101 V CA 1.881 63.850 62.300 -0.553 0.000 1.022 101 V CB -1.186 30.179 31.823 -0.764 0.000 0.641 101 V HN 0.607 nan 8.190 nan 0.000 0.445 102 A N -1.041 121.731 122.820 -0.080 0.000 1.930 102 A HA -0.200 4.121 4.320 0.001 0.000 0.217 102 A C 2.087 179.661 177.584 -0.016 0.000 1.175 102 A CA 1.846 53.865 52.037 -0.031 0.000 0.627 102 A CB -0.637 18.367 19.000 0.006 0.000 0.815 102 A HN 0.514 nan 8.150 nan 0.000 0.443 103 F N 0.571 120.432 119.950 -0.149 0.000 2.084 103 F HA -0.157 4.371 4.527 0.002 0.000 0.296 103 F C 2.465 178.186 175.800 -0.132 0.000 1.111 103 F CA 2.052 59.975 58.000 -0.128 0.000 1.224 103 F CB -0.229 38.673 39.000 -0.164 0.000 0.991 103 F HN 0.180 nan 8.300 nan 0.000 0.471 104 Q N 0.291 119.920 119.800 -0.285 0.000 2.167 104 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 104 Q C 2.518 178.162 176.000 -0.594 0.000 0.970 104 Q CA 1.258 56.857 55.803 -0.341 0.000 0.855 104 Q CB -1.308 27.387 28.738 -0.072 0.000 0.911 104 Q HN 0.575 nan 8.270 nan 0.000 0.438 105 G N 1.075 109.414 108.800 -0.769 0.000 2.418 105 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 105 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 105 G C 1.663 176.115 174.900 -0.747 0.000 1.158 105 G CA 1.391 45.664 45.100 -1.379 0.000 0.771 105 G HN 0.523 nan 8.290 nan 0.000 0.545 106 S N 0.315 115.771 115.700 -0.406 0.000 2.399 106 S HA -0.037 4.434 4.470 0.001 0.000 0.231 106 S C 2.069 176.497 174.600 -0.286 0.000 1.022 106 S CA 0.999 59.040 58.200 -0.266 0.000 0.983 106 S CB -0.508 62.586 63.200 -0.176 0.000 0.803 106 S HN 0.182 nan 8.310 nan 0.000 0.480 107 F N 2.661 122.322 119.950 -0.481 0.000 2.102 107 F HA 0.115 4.643 4.527 0.001 0.000 0.298 107 F C 2.909 178.519 175.800 -0.317 0.000 1.105 107 F CA 0.627 58.442 58.000 -0.309 0.000 1.239 107 F CB -1.075 37.782 39.000 -0.237 0.000 0.991 107 F HN 0.298 nan 8.300 nan 0.000 0.474 108 A N -0.833 121.708 122.820 -0.465 0.000 1.908 108 A HA -0.233 4.088 4.320 0.001 0.000 0.218 108 A C 2.338 179.626 177.584 -0.494 0.000 1.181 108 A CA 1.957 53.433 52.037 -0.935 0.000 0.627 108 A CB -1.529 16.834 19.000 -1.062 0.000 0.818 108 A HN 0.497 nan 8.150 nan 0.000 0.445 109 C N -1.325 117.768 119.300 -0.345 0.000 2.436 109 C HA -0.084 4.377 4.460 0.001 0.000 0.277 109 C C 2.462 177.420 174.990 -0.054 0.000 1.241 109 C CA 1.014 59.943 59.018 -0.148 0.000 1.721 109 C CB -1.321 26.387 27.740 -0.052 0.000 2.043 109 C HN 0.692 nan 8.230 nan 0.000 0.472 110 I N 1.451 121.960 120.570 -0.102 0.000 2.286 110 I HA -0.159 4.012 4.170 0.001 0.000 0.248 110 I C 2.320 178.384 176.117 -0.088 0.000 1.115 110 I CA 1.850 63.077 61.300 -0.123 0.000 1.392 110 I CB -0.716 37.142 38.000 -0.237 0.000 1.065 110 I HN 0.299 nan 8.210 nan 0.000 0.418 111 T N -0.322 114.204 114.554 -0.047 0.000 2.746 111 T HA -0.128 4.222 4.350 0.001 0.000 0.267 111 T C 2.016 176.763 174.700 0.078 0.000 1.039 111 T CA 1.763 63.899 62.100 0.060 0.000 1.142 111 T CB -0.454 68.538 68.868 0.206 0.000 0.866 111 T HN 0.217 nan 8.240 nan 0.000 0.444 112 V N 1.281 121.227 119.914 0.054 0.000 2.453 112 V HA -0.010 4.111 4.120 0.001 0.000 0.247 112 V C 2.849 178.989 176.094 0.076 0.000 1.048 112 V CA 1.708 64.054 62.300 0.077 0.000 1.049 112 V CB -1.266 30.604 31.823 0.078 0.000 0.672 112 V HN 0.584 nan 8.190 nan 0.000 0.457 113 G N 0.082 108.921 108.800 0.066 0.000 2.446 113 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 113 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 113 G C 1.585 176.587 174.900 0.169 0.000 1.168 113 G CA 1.032 46.189 45.100 0.096 0.000 0.771 113 G HN 0.454 nan 8.290 nan 0.000 0.551 114 L N 0.153 121.427 121.223 0.087 0.000 2.043 114 L HA -0.116 4.224 4.340 0.001 0.000 0.212 114 L C 2.897 179.879 176.870 0.186 0.000 1.075 114 L CA 0.890 55.806 54.840 0.127 0.000 0.752 114 L CB -0.424 41.561 42.059 -0.123 0.000 0.891 114 L HN 0.223 nan 8.230 nan 0.000 0.432 115 I N -0.764 119.850 120.570 0.073 0.000 2.208 115 I HA -0.299 3.872 4.170 0.001 0.000 0.245 115 I C 2.463 178.590 176.117 0.016 0.000 1.097 115 I CA 1.221 62.530 61.300 0.016 0.000 1.363 115 I CB -0.421 37.550 38.000 -0.049 0.000 1.051 115 I HN 0.047 nan 8.210 nan 0.000 0.413 116 V N 1.302 121.259 119.914 0.072 0.000 2.380 116 V HA -0.291 3.830 4.120 0.001 0.000 0.251 116 V C 2.607 178.625 176.094 -0.127 0.000 1.063 116 V CA 2.159 64.485 62.300 0.043 0.000 1.055 116 V CB -1.685 30.224 31.823 0.143 0.000 0.657 116 V HN 0.631 nan 8.190 nan 0.000 0.455 117 G N -0.414 108.149 108.800 -0.395 0.000 2.450 117 G HA2 -0.187 3.774 3.960 0.001 0.000 0.220 117 G HA3 -0.187 3.774 3.960 0.001 0.000 0.220 117 G C 1.592 176.223 174.900 -0.450 0.000 1.130 117 G CA 0.991 45.485 45.100 -1.009 0.000 0.760 117 G HN 0.669 nan 8.290 nan 0.000 0.557 118 A N -0.077 122.598 122.820 -0.241 0.000 2.123 118 A HA 0.390 4.711 4.320 0.001 0.000 0.214 118 A C 2.108 179.596 177.584 -0.159 0.000 1.152 118 A CA 0.403 52.347 52.037 -0.155 0.000 0.728 118 A CB -0.068 18.880 19.000 -0.086 0.000 0.814 118 A HN 0.347 nan 8.150 nan 0.000 0.464 119 L N -0.535 120.600 121.223 -0.147 0.000 2.607 119 L HA 0.265 4.606 4.340 0.001 0.000 0.228 119 L C 1.323 178.137 176.870 -0.093 0.000 1.123 119 L CA -0.090 54.670 54.840 -0.133 0.000 0.890 119 L CB -0.469 41.527 42.059 -0.105 0.000 1.103 119 L HN 0.299 nan 8.230 nan 0.000 0.468 120 A N 1.073 123.836 122.820 -0.096 0.000 2.609 120 A HA -0.066 4.255 4.320 0.001 0.000 0.232 120 A C 1.113 178.684 177.584 -0.021 0.000 1.041 120 A CA 0.740 52.746 52.037 -0.053 0.000 0.753 120 A CB -0.116 18.838 19.000 -0.077 0.000 0.966 120 A HN 0.655 nan 8.150 nan 0.000 0.510 121 E N -0.441 119.769 120.200 0.016 0.000 3.975 121 E HA -0.302 4.049 4.350 0.001 0.000 0.342 121 E C 0.981 177.595 176.600 0.024 0.000 0.677 121 E CA 1.341 57.762 56.400 0.036 0.000 1.238 121 E CB -0.787 28.958 29.700 0.074 0.000 1.665 121 E HN 0.936 nan 8.360 nan 0.000 0.429 122 R N 0.246 120.745 120.500 -0.002 0.000 2.504 122 R HA 0.276 4.617 4.340 0.001 0.000 0.341 122 R C 0.325 176.612 176.300 -0.023 0.000 0.905 122 R CA -0.182 55.910 56.100 -0.013 0.000 1.133 122 R CB -0.288 29.994 30.300 -0.029 0.000 1.704 122 R HN 0.148 nan 8.270 nan 0.000 0.503 123 I N 2.173 122.734 120.570 -0.015 0.000 2.662 123 I HA 0.253 4.424 4.170 0.001 0.000 0.291 123 I C 0.118 176.257 176.117 0.037 0.000 1.046 123 I CA -0.642 60.652 61.300 -0.009 0.000 1.361 123 I CB 0.917 38.909 38.000 -0.014 0.000 1.429 123 I HN 0.017 nan 8.210 nan 0.000 0.558 124 R N 5.573 126.096 120.500 0.037 0.000 2.308 124 R HA 0.128 4.469 4.340 0.001 0.000 0.305 124 R C 0.656 177.029 176.300 0.122 0.000 1.053 124 R CA -0.168 55.974 56.100 0.069 0.000 0.957 124 R CB 0.598 30.923 30.300 0.042 0.000 1.022 124 R HN 0.745 nan 8.270 nan 0.000 0.461 125 F N 2.463 122.420 119.950 0.012 0.000 2.091 125 F HA -0.307 4.221 4.527 0.001 0.000 0.299 125 F C 2.342 178.184 175.800 0.069 0.000 1.103 125 F CA 2.250 60.283 58.000 0.056 0.000 1.228 125 F CB 0.094 39.111 39.000 0.028 0.000 0.984 125 F HN 0.572 nan 8.300 nan 0.000 0.477 126 S N 0.199 115.892 115.700 -0.011 0.000 2.481 126 S HA -0.012 4.459 4.470 0.001 0.000 0.231 126 S C 2.004 176.566 174.600 -0.063 0.000 0.996 126 S CA 0.497 58.640 58.200 -0.095 0.000 0.942 126 S CB -0.701 62.512 63.200 0.021 0.000 0.768 126 S HN 0.449 nan 8.310 nan 0.000 0.520 127 A N 1.732 124.545 122.820 -0.013 0.000 1.897 127 A HA 0.137 4.458 4.320 0.001 0.000 0.215 127 A C 2.398 180.021 177.584 0.065 0.000 1.181 127 A CA 1.262 53.320 52.037 0.035 0.000 0.620 127 A CB -1.161 17.865 19.000 0.043 0.000 0.821 127 A HN 0.869 nan 8.150 nan 0.000 0.443 128 V N 0.144 120.071 119.914 0.022 0.000 2.515 128 V HA -0.172 3.949 4.120 0.001 0.000 0.250 128 V C 2.128 178.251 176.094 0.048 0.000 1.058 128 V CA 2.093 64.440 62.300 0.078 0.000 1.064 128 V CB -0.545 31.316 31.823 0.063 0.000 0.675 128 V HN 0.507 nan 8.190 nan 0.000 0.461 129 L N -0.508 120.642 121.223 -0.120 0.000 2.056 129 L HA -0.070 4.271 4.340 0.001 0.000 0.207 129 L C 2.609 179.469 176.870 -0.016 0.000 1.078 129 L CA 1.978 56.748 54.840 -0.117 0.000 0.749 129 L CB -0.554 41.362 42.059 -0.240 0.000 0.901 129 L HN 0.266 nan 8.230 nan 0.000 0.433 130 I N -0.532 120.043 120.570 0.008 0.000 2.226 130 I HA -0.322 3.848 4.170 0.001 0.000 0.245 130 I C 2.510 178.671 176.117 0.073 0.000 1.100 130 I CA 1.399 62.723 61.300 0.040 0.000 1.374 130 I CB -0.196 37.830 38.000 0.043 0.000 1.057 130 I HN 0.166 nan 8.210 nan 0.000 0.413 131 F N 0.835 120.768 119.950 -0.027 0.000 2.186 131 F HA -0.170 4.359 4.527 0.002 0.000 0.299 131 F C 2.259 178.064 175.800 0.008 0.000 1.090 131 F CA 1.391 59.355 58.000 -0.060 0.000 1.307 131 F CB -0.418 38.493 39.000 -0.148 0.000 1.019 131 F HN -0.236 nan 8.300 nan 0.000 0.489 132 V N -0.050 119.797 119.914 -0.112 0.000 2.343 132 V HA -0.290 3.831 4.120 0.001 0.000 0.247 132 V C 2.417 178.471 176.094 -0.068 0.000 1.051 132 V CA 1.691 63.922 62.300 -0.116 0.000 1.036 132 V CB -0.580 31.262 31.823 0.032 0.000 0.654 132 V HN 0.314 nan 8.190 nan 0.000 0.451 133 V N -0.406 119.491 119.914 -0.028 0.000 2.287 133 V HA -0.241 3.880 4.120 0.001 0.000 0.248 133 V C 2.366 178.471 176.094 0.017 0.000 1.053 133 V CA 2.107 64.421 62.300 0.025 0.000 1.027 133 V CB -0.526 31.322 31.823 0.041 0.000 0.646 133 V HN 0.404 nan 8.190 nan 0.000 0.447 134 V N -1.467 118.420 119.914 -0.045 0.000 2.244 134 V HA -0.270 3.851 4.120 0.001 0.000 0.244 134 V C 2.010 178.066 176.094 -0.062 0.000 1.042 134 V CA 2.353 64.627 62.300 -0.044 0.000 1.006 134 V CB -0.772 31.024 31.823 -0.045 0.000 0.641 134 V HN 0.747 nan 8.190 nan 0.000 0.446 135 W N 0.224 121.267 121.300 -0.429 0.000 2.342 135 W HA -0.200 4.462 4.660 0.002 0.000 0.297 135 W C 2.197 178.649 176.519 -0.112 0.000 1.213 135 W CA 1.900 59.012 57.345 -0.389 0.000 1.251 135 W CB -0.209 28.709 29.460 -0.903 0.000 1.136 135 W HN 0.206 nan 8.180 nan 0.000 0.526 136 L N 0.103 121.338 121.223 0.020 0.000 2.027 136 L HA -0.159 4.182 4.340 0.001 0.000 0.206 136 L C 2.403 179.297 176.870 0.040 0.000 1.074 136 L CA 2.702 57.562 54.840 0.033 0.000 0.745 136 L CB -1.220 40.901 42.059 0.104 0.000 0.898 136 L HN -0.135 nan 8.230 nan 0.000 0.433 137 T N -0.021 114.595 114.554 0.104 0.000 2.674 137 T HA -0.136 4.215 4.350 0.001 0.000 0.265 137 T C 1.706 176.495 174.700 0.148 0.000 1.039 137 T CA 1.847 64.067 62.100 0.202 0.000 1.150 137 T CB -0.297 68.697 68.868 0.209 0.000 0.864 137 T HN 0.271 nan 8.240 nan 0.000 0.427 138 L N 0.361 121.625 121.223 0.068 0.000 2.592 138 L HA 0.294 4.635 4.340 0.001 0.000 0.227 138 L C 2.150 179.076 176.870 0.094 0.000 1.127 138 L CA 0.238 55.154 54.840 0.126 0.000 0.884 138 L CB -0.000 42.119 42.059 0.100 0.000 1.065 138 L HN 0.258 nan 8.230 nan 0.000 0.457 139 S N -1.422 114.143 115.700 -0.225 0.000 3.472 139 S HA -0.038 4.433 4.470 0.001 0.000 0.247 139 S C 1.645 175.875 174.600 -0.616 0.000 1.084 139 S CA -0.201 57.750 58.200 -0.414 0.000 0.795 139 S CB -0.363 62.239 63.200 -0.996 0.000 0.892 139 S HN 0.283 nan 8.310 nan 0.000 0.513 140 Y N 2.488 122.288 120.300 -0.834 0.000 2.097 140 Y HA -0.029 4.521 4.550 0.001 0.000 0.282 140 Y C 1.994 177.705 175.900 -0.314 0.000 1.152 140 Y CA 2.250 60.041 58.100 -0.514 0.000 1.136 140 Y CB -0.461 37.818 38.460 -0.303 0.000 0.975 140 Y HN 0.343 nan 8.280 nan 0.000 0.498 141 I N 0.905 121.429 120.570 -0.077 0.000 2.091 141 I HA -0.304 3.867 4.170 0.001 0.000 0.239 141 I C -0.550 175.291 176.117 -0.461 0.000 1.061 141 I CA 1.904 63.127 61.300 -0.129 0.000 1.317 141 I CB -1.551 36.455 38.000 0.009 0.000 1.031 141 I HN 0.248 nan 8.210 nan 0.000 0.401 142 P HA -0.143 nan 4.420 nan 0.000 0.218 142 P C 1.898 178.692 177.300 -0.842 0.000 1.149 142 P CA 1.730 64.296 63.100 -0.891 0.000 0.817 142 P CB -0.064 31.014 31.700 -1.037 0.000 0.785 143 I N -0.089 119.950 120.570 -0.885 0.000 2.286 143 I HA -0.162 4.009 4.170 0.001 0.000 0.245 143 I C 2.551 178.241 176.117 -0.711 0.000 1.104 143 I CA 1.226 62.042 61.300 -0.807 0.000 1.397 143 I CB -0.619 36.957 38.000 -0.707 0.000 1.072 143 I HN -0.098 nan 8.210 nan 0.000 0.417 144 A N -0.373 121.985 122.820 -0.769 0.000 1.969 144 A HA -0.266 4.055 4.320 0.001 0.000 0.218 144 A C 2.290 179.542 177.584 -0.553 0.000 1.169 144 A CA 1.474 53.085 52.037 -0.710 0.000 0.635 144 A CB -0.905 17.690 19.000 -0.674 0.000 0.810 144 A HN 0.497 nan 8.150 nan 0.000 0.445 145 H N -0.948 117.753 119.070 -0.615 0.000 2.462 145 H HA 0.094 4.651 4.556 0.001 0.000 0.292 145 H C 1.882 176.965 175.328 -0.408 0.000 1.049 145 H CA 1.433 57.167 56.048 -0.523 0.000 1.334 145 H CB -0.053 29.420 29.762 -0.482 0.000 1.404 145 H HN 0.441 nan 8.280 nan 0.000 0.544 146 M N -0.218 119.137 119.600 -0.409 0.000 2.200 146 M HA -0.120 4.361 4.480 0.001 0.000 0.265 146 M C 2.243 178.329 176.300 -0.356 0.000 1.066 146 M CA 0.985 56.056 55.300 -0.382 0.000 1.127 146 M CB 0.281 32.644 32.600 -0.396 0.000 1.379 146 M HN 0.096 nan 8.290 nan 0.000 0.420 147 V N -2.235 117.437 119.914 -0.404 0.000 2.581 147 V HA -0.102 4.019 4.120 0.001 0.000 0.240 147 V C 1.434 177.445 176.094 -0.138 0.000 1.054 147 V CA 1.065 63.152 62.300 -0.356 0.000 1.076 147 V CB -0.235 31.226 31.823 -0.604 0.000 0.748 147 V HN 0.536 nan 8.190 nan 0.000 0.474 148 W N 0.349 121.553 121.300 -0.160 0.000 3.058 148 W HA 0.453 5.114 4.660 0.001 0.000 0.306 148 W C 1.907 178.417 176.519 -0.015 0.000 1.188 148 W CA 0.272 57.602 57.345 -0.025 0.000 1.651 148 W CB -0.493 29.036 29.460 0.116 0.000 1.051 148 W HN 0.322 nan 8.180 nan 0.000 0.592 149 G N -0.358 108.346 108.800 -0.161 0.000 3.284 149 G HA2 0.356 4.316 3.960 0.001 0.000 0.236 149 G HA3 0.356 4.316 3.960 0.001 0.000 0.236 149 G C 1.284 175.868 174.900 -0.526 0.000 1.158 149 G CA 0.312 45.176 45.100 -0.393 0.000 0.774 149 G HN 0.289 nan 8.290 nan 0.000 0.545 150 G N -1.104 107.506 108.800 -0.316 0.000 2.157 150 G HA2 -0.053 3.908 3.960 0.001 0.000 0.248 150 G HA3 -0.053 3.908 3.960 0.001 0.000 0.248 150 G C 0.848 175.555 174.900 -0.321 0.000 0.979 150 G CA 0.259 45.212 45.100 -0.245 0.000 0.650 150 G HN 0.976 nan 8.290 nan 0.000 0.529 151 G N -0.824 107.694 108.800 -0.471 0.000 2.489 151 G HA2 0.543 4.504 3.960 0.001 0.000 0.271 151 G HA3 0.543 4.504 3.960 0.001 0.000 0.271 151 G C 1.357 176.054 174.900 -0.338 0.000 1.427 151 G CA 0.171 45.050 45.100 -0.367 0.000 1.057 151 G HN 0.939 nan 8.290 nan 0.000 0.532 152 L N -0.580 120.400 121.223 -0.405 0.000 2.011 152 L HA -0.202 4.138 4.340 0.001 0.000 0.225 152 L C 2.732 179.252 176.870 -0.584 0.000 1.084 152 L CA 1.958 56.498 54.840 -0.499 0.000 0.791 152 L CB -0.555 41.251 42.059 -0.421 0.000 0.898 152 L HN 0.485 nan 8.230 nan 0.000 0.440 153 L N -1.360 119.647 121.223 -0.359 0.000 2.217 153 L HA -0.085 4.256 4.340 0.001 0.000 0.211 153 L C 2.553 179.345 176.870 -0.129 0.000 1.107 153 L CA 0.823 55.532 54.840 -0.218 0.000 0.783 153 L CB -0.837 41.135 42.059 -0.145 0.000 0.919 153 L HN 0.397 nan 8.230 nan 0.000 0.442 154 A N 0.272 123.001 122.820 -0.150 0.000 1.929 154 A HA -0.157 4.164 4.320 0.001 0.000 0.216 154 A C 2.534 180.095 177.584 -0.038 0.000 1.176 154 A CA 1.537 53.539 52.037 -0.059 0.000 0.628 154 A CB -0.525 18.434 19.000 -0.069 0.000 0.816 154 A HN 0.471 nan 8.150 nan 0.000 0.444 155 S N -0.718 114.914 115.700 -0.114 0.000 2.423 155 S HA -0.176 4.294 4.470 0.001 0.000 0.231 155 S C 1.596 176.268 174.600 0.119 0.000 1.014 155 S CA 1.359 59.533 58.200 -0.044 0.000 0.965 155 S CB -0.653 62.480 63.200 -0.112 0.000 0.785 155 S HN 0.639 nan 8.310 nan 0.000 0.495 156 H N 1.315 120.385 119.070 0.001 0.000 2.548 156 H HA 0.366 4.923 4.556 0.001 0.000 0.265 156 H C 1.755 177.103 175.328 0.034 0.000 0.969 156 H CA -0.283 55.781 56.048 0.027 0.000 1.155 156 H CB -0.368 29.401 29.762 0.010 0.000 1.394 156 H HN 0.601 nan 8.280 nan 0.000 0.570 157 G N 0.390 109.273 108.800 0.139 0.000 2.149 157 G HA2 -0.190 3.771 3.960 0.001 0.000 0.235 157 G HA3 -0.190 3.771 3.960 0.001 0.000 0.235 157 G C 0.499 175.433 174.900 0.056 0.000 1.018 157 G CA 0.233 45.392 45.100 0.099 0.000 0.728 157 G HN 0.708 nan 8.290 nan 0.000 0.508 158 A N -0.494 122.360 122.820 0.057 0.000 2.466 158 A HA 0.629 4.950 4.320 0.001 0.000 0.238 158 A C 0.644 178.273 177.584 0.075 0.000 1.074 158 A CA 0.362 52.423 52.037 0.040 0.000 0.774 158 A CB 0.334 19.355 19.000 0.034 0.000 1.015 158 A HN 1.040 nan 8.150 nan 0.000 0.498 159 L N 2.202 123.461 121.223 0.060 0.000 2.324 159 L HA 0.406 4.747 4.340 0.001 0.000 0.274 159 L C -0.770 176.267 176.870 0.279 0.000 1.012 159 L CA -0.268 54.608 54.840 0.061 0.000 0.859 159 L CB 1.122 43.036 42.059 -0.241 0.000 1.224 159 L HN 0.686 nan 8.230 nan 0.000 0.429 160 D N 2.043 122.739 120.400 0.494 0.000 2.328 160 D HA 0.102 4.743 4.640 0.001 0.000 0.243 160 D C 0.179 176.933 176.300 0.756 0.000 1.324 160 D CA -0.422 53.908 54.000 0.550 0.000 0.966 160 D CB 0.950 41.946 40.800 0.326 0.000 1.324 160 D HN 0.251 nan 8.370 nan 0.000 0.549 161 F N 3.005 123.319 119.950 0.607 0.000 2.051 161 F HA 0.010 4.537 4.527 0.001 0.000 0.296 161 F C 1.927 177.942 175.800 0.358 0.000 1.122 161 F CA 2.075 60.284 58.000 0.349 0.000 1.201 161 F CB 0.385 39.440 39.000 0.091 0.000 0.978 161 F HN 0.442 nan 8.300 nan 0.000 0.472 162 A N -1.388 121.852 122.820 0.700 0.000 2.390 162 A HA 0.524 4.845 4.320 0.001 0.000 0.232 162 A C 1.028 179.190 177.584 0.964 0.000 1.233 162 A CA 0.525 52.957 52.037 0.659 0.000 0.907 162 A CB -0.345 19.131 19.000 0.794 0.000 0.967 162 A HN 0.898 nan 8.150 nan 0.000 0.512 163 G N -1.313 108.065 108.800 0.963 0.000 2.338 163 G HA2 0.064 4.024 3.960 0.001 0.000 0.115 163 G HA3 0.064 4.024 3.960 0.001 0.000 0.115 163 G C 0.929 176.145 174.900 0.526 0.000 1.053 163 G CA 0.172 45.680 45.100 0.680 0.000 0.733 163 G HN 0.992 nan 8.290 nan 0.000 0.482 164 G N 0.150 109.247 108.800 0.494 0.000 2.442 164 G HA2 0.052 4.013 3.960 0.001 0.000 0.219 164 G HA3 0.052 4.013 3.960 0.001 0.000 0.219 164 G C 1.780 176.869 174.900 0.316 0.000 1.141 164 G CA 2.656 48.021 45.100 0.442 0.000 0.763 164 G HN 1.410 nan 8.290 nan 0.000 0.554 165 T N -1.565 113.094 114.554 0.175 0.000 2.990 165 T HA 0.027 4.378 4.350 0.001 0.000 0.237 165 T C 2.293 176.994 174.700 0.002 0.000 1.009 165 T CA 1.054 63.201 62.100 0.078 0.000 1.195 165 T CB -0.604 68.251 68.868 -0.020 0.000 0.885 165 T HN -0.021 nan 8.240 nan 0.000 0.424 166 V N 1.793 121.583 119.914 -0.207 0.000 2.370 166 V HA -0.149 3.972 4.120 0.001 0.000 0.252 166 V C 2.648 178.738 176.094 -0.008 0.000 1.068 166 V CA 1.839 63.922 62.300 -0.362 0.000 1.061 166 V CB -0.899 30.351 31.823 -0.955 0.000 0.656 166 V HN 0.457 nan 8.190 nan 0.000 0.455 167 V N -2.062 117.936 119.914 0.140 0.000 2.840 167 V HA 0.045 4.166 4.120 0.001 0.000 0.234 167 V C 2.233 178.388 176.094 0.102 0.000 1.159 167 V CA 0.755 63.162 62.300 0.178 0.000 1.194 167 V CB -0.565 31.354 31.823 0.160 0.000 0.971 167 V HN 0.449 nan 8.190 nan 0.000 0.494 168 H N 0.518 119.798 119.070 0.349 0.000 2.256 168 H HA -0.019 4.538 4.556 0.001 0.000 0.299 168 H C 2.334 177.845 175.328 0.304 0.000 1.071 168 H CA 2.214 58.476 56.048 0.356 0.000 1.280 168 H CB -0.288 29.701 29.762 0.378 0.000 1.370 168 H HN 0.297 nan 8.280 nan 0.000 0.490 169 I N 0.981 121.774 120.570 0.372 0.000 2.315 169 I HA -0.233 3.938 4.170 0.001 0.000 0.248 169 I C 2.485 178.809 176.117 0.344 0.000 1.117 169 I CA 0.748 62.239 61.300 0.317 0.000 1.404 169 I CB -0.303 37.849 38.000 0.254 0.000 1.071 169 I HN 0.169 nan 8.210 nan 0.000 0.419 170 N N 1.495 120.396 118.700 0.334 0.000 2.043 170 N HA -0.180 4.561 4.740 0.001 0.000 0.193 170 N C 1.866 177.701 175.510 0.541 0.000 1.037 170 N CA 2.100 55.422 53.050 0.454 0.000 0.851 170 N CB -0.153 38.584 38.487 0.417 0.000 1.027 170 N HN 0.371 nan 8.380 nan 0.000 0.422 171 A N 0.442 123.490 122.820 0.380 0.000 1.872 171 A HA 0.148 4.469 4.320 0.001 0.000 0.214 171 A C 2.390 180.081 177.584 0.178 0.000 1.187 171 A CA 1.891 54.029 52.037 0.169 0.000 0.614 171 A CB -1.125 17.940 19.000 0.108 0.000 0.826 171 A HN 0.392 nan 8.150 nan 0.000 0.442 172 A N 0.337 123.334 122.820 0.296 0.000 1.892 172 A HA -0.169 4.152 4.320 0.001 0.000 0.218 172 A C 2.020 179.879 177.584 0.459 0.000 1.188 172 A CA 1.911 54.198 52.037 0.418 0.000 0.631 172 A CB -0.594 18.683 19.000 0.461 0.000 0.822 172 A HN 0.429 nan 8.150 nan 0.000 0.447 173 I N -0.183 120.632 120.570 0.409 0.000 2.142 173 I HA -0.229 3.941 4.170 0.001 0.000 0.240 173 I C 3.008 179.245 176.117 0.200 0.000 1.078 173 I CA 1.470 62.941 61.300 0.286 0.000 1.343 173 I CB -1.811 36.383 38.000 0.323 0.000 1.046 173 I HN 0.367 nan 8.210 nan 0.000 0.405 174 A N 1.086 124.019 122.820 0.187 0.000 1.948 174 A HA -0.159 4.161 4.320 0.001 0.000 0.220 174 A C 2.499 180.137 177.584 0.090 0.000 1.177 174 A CA 2.139 54.214 52.037 0.063 0.000 0.636 174 A CB -1.370 17.324 19.000 -0.510 0.000 0.815 174 A HN 0.468 nan 8.150 nan 0.000 0.449 175 G N -0.680 108.150 108.800 0.051 0.000 2.394 175 G HA2 -0.127 3.834 3.960 0.001 0.000 0.214 175 G HA3 -0.127 3.834 3.960 0.001 0.000 0.214 175 G C 1.576 176.468 174.900 -0.014 0.000 1.176 175 G CA 0.814 45.925 45.100 0.019 0.000 0.786 175 G HN 0.436 nan 8.290 nan 0.000 0.533 176 L N 0.569 121.795 121.223 0.005 0.000 2.042 176 L HA -0.099 4.242 4.340 0.001 0.000 0.210 176 L C 2.954 179.774 176.870 -0.083 0.000 1.076 176 L CA 0.995 55.773 54.840 -0.103 0.000 0.749 176 L CB -0.169 41.684 42.059 -0.344 0.000 0.893 176 L HN 0.139 nan 8.230 nan 0.000 0.432 177 V N -0.134 119.772 119.914 -0.014 0.000 2.295 177 V HA -0.209 3.912 4.120 0.001 0.000 0.246 177 V C 2.626 178.639 176.094 -0.135 0.000 1.049 177 V CA 1.779 64.106 62.300 0.046 0.000 1.024 177 V CB -1.381 30.590 31.823 0.248 0.000 0.648 177 V HN 0.634 nan 8.190 nan 0.000 0.447 178 G N 0.028 108.617 108.800 -0.352 0.000 2.587 178 G HA2 -0.295 3.666 3.960 0.001 0.000 0.217 178 G HA3 -0.295 3.666 3.960 0.001 0.000 0.217 178 G C 1.825 176.401 174.900 -0.539 0.000 1.240 178 G CA 1.458 45.958 45.100 -0.999 0.000 0.794 178 G HN 0.621 nan 8.290 nan 0.000 0.580 179 A N -0.183 122.453 122.820 -0.306 0.000 1.927 179 A HA -0.191 4.130 4.320 0.001 0.000 0.220 179 A C 2.277 179.746 177.584 -0.191 0.000 1.185 179 A CA 2.142 54.041 52.037 -0.230 0.000 0.639 179 A CB -0.835 18.062 19.000 -0.171 0.000 0.820 179 A HN 0.587 nan 8.150 nan 0.000 0.451 180 Y N 0.190 120.347 120.300 -0.237 0.000 2.181 180 Y HA -0.144 4.407 4.550 0.002 0.000 0.288 180 Y C 2.066 177.860 175.900 -0.177 0.000 1.146 180 Y CA 1.866 59.856 58.100 -0.183 0.000 1.164 180 Y CB -0.176 38.201 38.460 -0.137 0.000 0.982 180 Y HN 0.238 nan 8.280 nan 0.000 0.515 181 L N 0.120 121.285 121.223 -0.096 0.000 2.005 181 L HA -0.209 4.132 4.340 0.001 0.000 0.207 181 L C 2.531 179.256 176.870 -0.242 0.000 1.072 181 L CA 1.949 56.694 54.840 -0.159 0.000 0.744 181 L CB -0.819 41.108 42.059 -0.220 0.000 0.895 181 L HN 0.414 nan 8.230 nan 0.000 0.433 182 I N -2.237 118.157 120.570 -0.292 0.000 2.394 182 I HA 0.171 4.342 4.170 0.001 0.000 0.251 182 I C 1.157 177.138 176.117 -0.227 0.000 1.136 182 I CA 0.785 61.940 61.300 -0.242 0.000 1.425 182 I CB -0.770 37.087 38.000 -0.238 0.000 1.079 182 I HN 0.288 nan 8.210 nan 0.000 0.425 183 G N 1.334 109.971 108.800 -0.271 0.000 2.710 183 G HA2 -0.175 3.786 3.960 0.001 0.000 0.668 183 G HA3 -0.175 3.786 3.960 0.001 0.000 0.668 183 G C -0.710 174.022 174.900 -0.279 0.000 1.320 183 G CA -0.439 44.492 45.100 -0.283 0.000 0.860 183 G HN 0.468 nan 8.290 nan 0.000 0.538 184 K N 0.343 120.563 120.400 -0.299 0.000 2.380 184 K HA 0.299 4.619 4.320 0.001 0.000 0.267 184 K C 1.174 177.641 176.600 -0.222 0.000 0.990 184 K CA 0.022 56.086 56.287 -0.372 0.000 0.946 184 K CB 0.414 32.701 32.500 -0.355 0.000 0.937 184 K HN 0.526 nan 8.250 nan 0.000 0.491 185 R N 0.751 121.119 120.500 -0.220 0.000 2.594 185 R HA 0.067 4.408 4.340 0.001 0.000 0.272 185 R C -0.169 176.187 176.300 0.093 0.000 1.074 185 R CA -0.478 55.606 56.100 -0.026 0.000 1.105 185 R CB 0.725 31.056 30.300 0.051 0.000 1.008 185 R HN 0.321 nan 8.270 nan 0.000 0.472 186 V N 2.716 122.710 119.914 0.134 0.000 2.585 186 V HA 0.242 4.363 4.120 0.001 0.000 0.296 186 V C 1.132 177.401 176.094 0.291 0.000 1.035 186 V CA 1.887 64.277 62.300 0.150 0.000 1.084 186 V CB 0.535 32.411 31.823 0.087 0.000 0.953 186 V HN 1.033 nan 8.190 nan 0.000 0.483 187 G N 5.134 114.088 108.800 0.257 0.000 2.175 187 G HA2 -0.278 3.683 3.960 0.001 0.000 0.244 187 G HA3 -0.278 3.683 3.960 0.001 0.000 0.244 187 G C 0.064 175.227 174.900 0.438 0.000 0.982 187 G CA 0.157 45.446 45.100 0.314 0.000 0.641 187 G HN 1.126 nan 8.290 nan 0.000 0.527 188 F N 1.769 121.792 119.950 0.121 0.000 2.608 188 F HA 0.395 4.924 4.527 0.003 0.000 0.380 188 F C 1.615 177.398 175.800 -0.028 0.000 1.083 188 F CA 1.774 59.681 58.000 -0.155 0.000 1.266 188 F CB 0.646 39.476 39.000 -0.284 0.000 1.076 188 F HN 1.131 nan 8.300 nan 0.000 0.574 189 G N 4.124 112.589 108.800 -0.558 0.000 2.176 189 G HA2 -0.367 3.593 3.960 0.001 0.000 0.253 189 G HA3 -0.367 3.593 3.960 0.001 0.000 0.253 189 G C 0.860 175.693 174.900 -0.110 0.000 0.979 189 G CA 0.663 45.555 45.100 -0.346 0.000 0.641 189 G HN 0.672 nan 8.290 nan 0.000 0.530 190 K N -0.162 120.234 120.400 -0.007 0.000 2.511 190 K HA 0.329 4.650 4.320 0.001 0.000 0.209 190 K C 0.790 177.418 176.600 0.046 0.000 1.301 190 K CA 0.422 56.724 56.287 0.024 0.000 0.967 190 K CB 0.820 33.343 32.500 0.039 0.000 1.109 190 K HN 0.485 nan 8.250 nan 0.000 0.561 191 E N 0.249 120.526 120.200 0.129 0.000 2.299 191 E HA 0.622 4.972 4.350 0.001 0.000 0.260 191 E C -1.127 175.526 176.600 0.088 0.000 0.944 191 E CA -1.133 55.299 56.400 0.053 0.000 0.815 191 E CB 1.825 31.484 29.700 -0.069 0.000 1.252 191 E HN 0.106 nan 8.360 nan 0.000 0.418 192 A N 1.327 124.101 122.820 -0.076 0.000 2.320 192 A HA 0.431 4.752 4.320 0.001 0.000 0.287 192 A C -0.982 176.505 177.584 -0.162 0.000 1.181 192 A CA -0.207 51.815 52.037 -0.025 0.000 0.831 192 A CB -0.284 18.688 19.000 -0.047 0.000 1.102 192 A HN 0.480 nan 8.150 nan 0.000 0.513 193 F N 2.418 122.360 119.950 -0.012 0.000 2.532 193 F HA 0.265 4.791 4.527 -0.002 0.000 0.313 193 F C 0.604 176.416 175.800 0.019 0.000 1.301 193 F CA -0.311 57.700 58.000 0.019 0.000 1.154 193 F CB 0.771 39.801 39.000 0.049 0.000 1.335 193 F HN 0.485 nan 8.300 nan 0.000 0.542 194 K N 1.563 122.020 120.400 0.095 0.000 2.237 194 K HA 0.294 4.615 4.320 0.001 0.000 0.270 194 K C -2.392 174.254 176.600 0.077 0.000 1.015 194 K CA -1.680 54.648 56.287 0.068 0.000 0.949 194 K CB 0.346 32.861 32.500 0.025 0.000 0.976 194 K HN 0.029 nan 8.250 nan 0.000 0.472 195 P HA -0.084 nan 4.420 nan 0.000 0.263 195 P C 0.241 177.563 177.300 0.036 0.000 1.195 195 P CA 0.244 63.366 63.100 0.037 0.000 0.762 195 P CB 0.313 31.995 31.700 -0.031 0.000 0.799 196 H N 2.461 121.536 119.070 0.007 0.000 2.423 196 H HA -0.030 4.526 4.556 0.001 0.000 0.297 196 H C -0.125 175.195 175.328 -0.014 0.000 1.075 196 H CA 1.070 57.120 56.048 0.005 0.000 1.342 196 H CB 0.252 30.039 29.762 0.042 0.000 1.395 196 H HN 0.257 nan 8.280 nan 0.000 0.530 197 N N 0.459 118.781 118.700 -0.630 0.000 2.653 197 N HA 0.117 4.858 4.740 0.001 0.000 0.261 197 N C 0.593 175.947 175.510 -0.260 0.000 1.216 197 N CA -0.286 52.487 53.050 -0.462 0.000 0.784 197 N CB 0.761 38.880 38.487 -0.613 0.000 1.327 197 N HN 0.177 nan 8.380 nan 0.000 0.539 198 L N 2.355 123.483 121.223 -0.159 0.000 2.083 198 L HA 0.007 4.348 4.340 0.001 0.000 0.209 198 L C -0.700 176.146 176.870 -0.040 0.000 1.083 198 L CA 1.160 55.941 54.840 -0.098 0.000 0.752 198 L CB -1.005 41.001 42.059 -0.088 0.000 0.899 198 L HN 0.376 nan 8.230 nan 0.000 0.433 199 P HA -0.237 nan 4.420 nan 0.000 0.217 199 P C 1.788 179.137 177.300 0.082 0.000 1.148 199 P CA 1.607 64.723 63.100 0.026 0.000 0.828 199 P CB 0.008 31.697 31.700 -0.018 0.000 0.783 200 M N -0.934 118.666 119.600 -0.001 0.000 2.099 200 M HA -0.128 4.353 4.480 0.001 0.000 0.262 200 M C 1.720 178.035 176.300 0.025 0.000 1.067 200 M CA 1.732 57.036 55.300 0.007 0.000 1.124 200 M CB -0.463 32.113 32.600 -0.040 0.000 1.353 200 M HN -0.242 nan 8.290 nan 0.000 0.410 201 V N 0.581 120.489 119.914 -0.009 0.000 2.287 201 V HA -0.310 3.811 4.120 0.001 0.000 0.248 201 V C 2.191 178.369 176.094 0.140 0.000 1.053 201 V CA 2.290 64.583 62.300 -0.012 0.000 1.027 201 V CB -1.089 30.651 31.823 -0.137 0.000 0.646 201 V HN 0.603 nan 8.190 nan 0.000 0.447 202 F N 1.508 121.456 119.950 -0.004 0.000 2.134 202 F HA -0.211 4.317 4.527 0.001 0.000 0.299 202 F C 2.386 178.194 175.800 0.012 0.000 1.097 202 F CA 2.244 60.245 58.000 0.001 0.000 1.264 202 F CB -0.628 38.348 39.000 -0.039 0.000 1.001 202 F HN 0.143 nan 8.300 nan 0.000 0.479 203 T N -0.145 114.376 114.554 -0.055 0.000 2.746 203 T HA -0.101 4.250 4.350 0.001 0.000 0.267 203 T C 2.184 176.772 174.700 -0.187 0.000 1.039 203 T CA 1.383 63.395 62.100 -0.146 0.000 1.142 203 T CB -1.222 67.650 68.868 0.006 0.000 0.866 203 T HN 0.462 nan 8.240 nan 0.000 0.444 204 G N 1.205 109.960 108.800 -0.076 0.000 2.418 204 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 204 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 204 G C 1.714 176.543 174.900 -0.119 0.000 1.158 204 G CA 1.380 46.446 45.100 -0.058 0.000 0.771 204 G HN 0.453 nan 8.290 nan 0.000 0.545 205 T N 1.831 116.346 114.554 -0.066 0.000 2.674 205 T HA -0.032 4.319 4.350 0.001 0.000 0.265 205 T C 2.835 177.384 174.700 -0.251 0.000 1.039 205 T CA 1.643 63.626 62.100 -0.196 0.000 1.150 205 T CB -0.476 68.324 68.868 -0.115 0.000 0.864 205 T HN 0.366 nan 8.240 nan 0.000 0.427 206 A N 1.024 123.617 122.820 -0.379 0.000 1.908 206 A HA -0.054 4.267 4.320 0.001 0.000 0.218 206 A C 2.295 179.812 177.584 -0.111 0.000 1.181 206 A CA 1.364 53.230 52.037 -0.286 0.000 0.627 206 A CB -0.825 17.886 19.000 -0.482 0.000 0.818 206 A HN 0.550 nan 8.150 nan 0.000 0.445 207 I N -0.761 119.667 120.570 -0.237 0.000 2.439 207 I HA -0.198 3.972 4.170 0.001 0.000 0.251 207 I C 2.309 178.238 176.117 -0.313 0.000 1.139 207 I CA 0.752 61.816 61.300 -0.394 0.000 1.438 207 I CB -0.228 37.336 38.000 -0.726 0.000 1.085 207 I HN 0.278 nan 8.210 nan 0.000 0.427 208 L N -0.523 120.568 121.223 -0.220 0.000 2.056 208 L HA -0.251 4.090 4.340 0.001 0.000 0.207 208 L C 2.662 179.595 176.870 0.105 0.000 1.078 208 L CA 1.448 56.220 54.840 -0.113 0.000 0.749 208 L CB -0.679 41.306 42.059 -0.124 0.000 0.901 208 L HN 0.244 nan 8.230 nan 0.000 0.433 209 Y N 0.638 120.895 120.300 -0.071 0.000 2.114 209 Y HA -0.286 4.265 4.550 0.002 0.000 0.284 209 Y C 2.447 178.335 175.900 -0.020 0.000 1.143 209 Y CA 1.580 59.619 58.100 -0.101 0.000 1.135 209 Y CB -0.115 38.254 38.460 -0.152 0.000 0.980 209 Y HN -0.037 nan 8.280 nan 0.000 0.499 210 I N 0.510 121.074 120.570 -0.009 0.000 2.179 210 I HA -0.222 3.949 4.170 0.001 0.000 0.242 210 I C 2.724 178.959 176.117 0.198 0.000 1.088 210 I CA 1.666 63.044 61.300 0.131 0.000 1.357 210 I CB -2.138 36.014 38.000 0.254 0.000 1.051 210 I HN 0.425 nan 8.210 nan 0.000 0.409 211 G N -0.428 108.455 108.800 0.139 0.000 2.448 211 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 211 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 211 G C 1.539 176.476 174.900 0.062 0.000 1.127 211 G CA 0.016 45.198 45.100 0.136 0.000 0.766 211 G HN 0.379 nan 8.290 nan 0.000 0.552 212 W N 0.586 121.747 121.300 -0.231 0.000 2.468 212 W HA 0.019 4.680 4.660 0.001 0.000 0.262 212 W C 1.658 178.010 176.519 -0.279 0.000 1.241 212 W CA 0.368 57.523 57.345 -0.317 0.000 1.232 212 W CB -0.332 28.813 29.460 -0.525 0.000 1.124 212 W HN 0.270 nan 8.180 nan 0.000 0.597 213 F N -0.070 119.931 119.950 0.084 0.000 2.206 213 F HA -0.030 4.498 4.527 0.002 0.000 0.298 213 F C 2.635 178.547 175.800 0.187 0.000 1.090 213 F CA 1.646 59.652 58.000 0.010 0.000 1.323 213 F CB -1.280 37.607 39.000 -0.188 0.000 1.028 213 F HN -0.200 nan 8.300 nan 0.000 0.492 214 G N -0.664 108.327 108.800 0.318 0.000 2.404 214 G HA2 -0.285 3.675 3.960 0.001 0.000 0.215 214 G HA3 -0.285 3.675 3.960 0.001 0.000 0.215 214 G C 1.689 176.795 174.900 0.343 0.000 1.174 214 G CA 0.541 45.782 45.100 0.234 0.000 0.780 214 G HN 0.326 nan 8.290 nan 0.000 0.537 215 F N 1.847 121.848 119.950 0.084 0.000 2.065 215 F HA -0.163 4.365 4.527 0.002 0.000 0.298 215 F C 2.571 178.570 175.800 0.332 0.000 1.112 215 F CA 2.077 60.069 58.000 -0.012 0.000 1.212 215 F CB 0.048 38.756 39.000 -0.485 0.000 0.975 215 F HN 0.067 nan 8.300 nan 0.000 0.476 216 N N 0.289 119.376 118.700 0.645 0.000 2.182 216 N HA -0.013 4.728 4.740 0.001 0.000 0.186 216 N C 1.904 177.750 175.510 0.560 0.000 1.036 216 N CA 1.488 54.912 53.050 0.624 0.000 0.850 216 N CB -1.053 37.745 38.487 0.518 0.000 1.010 216 N HN 0.339 nan 8.380 nan 0.000 0.432 217 A N 0.538 123.662 122.820 0.506 0.000 1.933 217 A HA 0.032 4.353 4.320 0.001 0.000 0.218 217 A C 2.272 180.155 177.584 0.499 0.000 1.175 217 A CA 1.863 54.241 52.037 0.569 0.000 0.628 217 A CB -1.200 18.256 19.000 0.761 0.000 0.814 217 A HN 0.360 nan 8.150 nan 0.000 0.444 218 G N -0.775 108.196 108.800 0.284 0.000 2.448 218 G HA2 -0.124 3.836 3.960 0.001 0.000 0.219 218 G HA3 -0.124 3.836 3.960 0.001 0.000 0.219 218 G C 1.620 176.486 174.900 -0.055 0.000 1.127 218 G CA 1.143 46.196 45.100 -0.077 0.000 0.766 218 G HN 0.471 nan 8.290 nan 0.000 0.552 219 S N 0.750 116.607 115.700 0.262 0.000 2.493 219 S HA 0.014 4.485 4.470 0.001 0.000 0.243 219 S C 2.521 176.953 174.600 -0.280 0.000 0.991 219 S CA 0.841 59.016 58.200 -0.043 0.000 0.957 219 S CB -0.149 62.964 63.200 -0.146 0.000 0.756 219 S HN 0.600 nan 8.310 nan 0.000 0.521 220 A N 0.564 123.436 122.820 0.086 0.000 2.067 220 A HA 0.393 4.714 4.320 0.001 0.000 0.217 220 A C 2.006 179.585 177.584 -0.008 0.000 1.156 220 A CA 1.143 53.268 52.037 0.147 0.000 0.683 220 A CB -0.887 18.306 19.000 0.321 0.000 0.808 220 A HN 0.856 nan 8.150 nan 0.000 0.455 221 G N -2.008 106.738 108.800 -0.091 0.000 2.184 221 G HA2 -0.209 3.752 3.960 0.001 0.000 0.264 221 G HA3 -0.209 3.752 3.960 0.001 0.000 0.264 221 G C 0.499 175.387 174.900 -0.021 0.000 0.975 221 G CA 1.423 46.433 45.100 -0.150 0.000 0.642 221 G HN 1.691 nan 8.290 nan 0.000 0.536 222 T N -1.995 112.619 114.554 0.100 0.000 2.840 222 T HA 0.692 5.043 4.350 0.001 0.000 0.317 222 T C -0.308 174.386 174.700 -0.009 0.000 1.401 222 T CA 0.597 62.748 62.100 0.084 0.000 1.028 222 T CB 1.236 70.099 68.868 -0.008 0.000 1.317 222 T HN 1.681 nan 8.240 nan 0.000 0.495 223 A N 3.919 126.573 122.820 -0.277 0.000 3.126 223 A HA 0.495 4.816 4.320 0.001 0.000 0.268 223 A C 0.523 177.899 177.584 -0.348 0.000 1.605 223 A CA -0.548 51.057 52.037 -0.720 0.000 1.305 223 A CB -1.252 17.173 19.000 -0.959 0.000 1.160 223 A HN 0.793 nan 8.150 nan 0.000 0.609 224 N N -0.360 118.218 118.700 -0.203 0.000 2.879 224 N HA 0.146 4.887 4.740 0.001 0.000 0.329 224 N C 0.929 176.388 175.510 -0.085 0.000 1.337 224 N CA -0.183 52.798 53.050 -0.114 0.000 0.844 224 N CB 0.225 38.679 38.487 -0.055 0.000 1.236 224 N HN 0.249 nan 8.380 nan 0.000 0.601 225 E N -0.090 120.081 120.200 -0.049 0.000 2.153 225 E HA -0.153 4.198 4.350 0.001 0.000 0.194 225 E C 1.454 178.051 176.600 -0.006 0.000 0.988 225 E CA 1.001 57.383 56.400 -0.030 0.000 0.811 225 E CB -0.319 29.369 29.700 -0.020 0.000 0.746 225 E HN 0.550 nan 8.360 nan 0.000 0.466 226 I N 2.066 122.645 120.570 0.015 0.000 2.315 226 I HA -0.140 4.031 4.170 0.001 0.000 0.248 226 I C 2.684 178.841 176.117 0.066 0.000 1.117 226 I CA 1.147 62.465 61.300 0.031 0.000 1.404 226 I CB -1.619 36.434 38.000 0.088 0.000 1.071 226 I HN 0.143 nan 8.210 nan 0.000 0.419 227 A N 0.935 123.815 122.820 0.101 0.000 1.930 227 A HA -0.056 4.265 4.320 0.001 0.000 0.217 227 A C 2.588 180.277 177.584 0.175 0.000 1.175 227 A CA 1.757 53.907 52.037 0.188 0.000 0.627 227 A CB -0.684 18.385 19.000 0.115 0.000 0.815 227 A HN 0.394 nan 8.150 nan 0.000 0.443 228 A N -0.389 122.464 122.820 0.055 0.000 1.877 228 A HA -0.055 4.266 4.320 0.001 0.000 0.216 228 A C 2.124 179.779 177.584 0.119 0.000 1.186 228 A CA 1.746 53.812 52.037 0.048 0.000 0.620 228 A CB -0.626 18.357 19.000 -0.028 0.000 0.822 228 A HN 0.688 nan 8.150 nan 0.000 0.443 229 L N -0.365 120.898 121.223 0.066 0.000 2.083 229 L HA -0.026 4.315 4.340 0.001 0.000 0.209 229 L C 2.590 179.490 176.870 0.050 0.000 1.083 229 L CA 2.144 57.008 54.840 0.041 0.000 0.752 229 L CB -0.641 41.407 42.059 -0.018 0.000 0.899 229 L HN 0.328 nan 8.230 nan 0.000 0.433 230 A N -1.520 121.330 122.820 0.050 0.000 1.968 230 A HA -0.155 4.166 4.320 0.001 0.000 0.217 230 A C 2.167 179.880 177.584 0.215 0.000 1.169 230 A CA 1.301 53.370 52.037 0.053 0.000 0.638 230 A CB -0.922 18.108 19.000 0.050 0.000 0.812 230 A HN 0.482 nan 8.150 nan 0.000 0.446 231 F N 0.424 120.482 119.950 0.179 0.000 2.060 231 F HA -0.148 4.380 4.527 0.002 0.000 0.295 231 F C 2.391 178.338 175.800 0.245 0.000 1.120 231 F CA 2.101 60.267 58.000 0.278 0.000 1.205 231 F CB -0.343 38.770 39.000 0.189 0.000 0.986 231 F HN 0.029 nan 8.300 nan 0.000 0.470 232 V N 0.828 120.992 119.914 0.418 0.000 2.287 232 V HA -0.360 3.761 4.120 0.001 0.000 0.248 232 V C 2.149 178.342 176.094 0.166 0.000 1.053 232 V CA 2.195 64.659 62.300 0.274 0.000 1.027 232 V CB -0.835 31.097 31.823 0.182 0.000 0.646 232 V HN 0.378 nan 8.190 nan 0.000 0.447 233 N N -0.058 118.712 118.700 0.115 0.000 2.205 233 N HA -0.139 4.602 4.740 0.001 0.000 0.186 233 N C 1.865 177.390 175.510 0.025 0.000 1.015 233 N CA 1.868 54.949 53.050 0.051 0.000 0.862 233 N CB -0.486 38.013 38.487 0.020 0.000 0.986 233 N HN 0.487 nan 8.380 nan 0.000 0.429 234 T N 0.337 114.909 114.554 0.029 0.000 2.821 234 T HA -0.006 4.345 4.350 0.001 0.000 0.267 234 T C 2.122 176.816 174.700 -0.009 0.000 1.046 234 T CA 0.568 62.613 62.100 -0.091 0.000 1.139 234 T CB -0.092 68.616 68.868 -0.268 0.000 0.871 234 T HN -0.021 nan 8.240 nan 0.000 0.454 235 V N 0.979 120.988 119.914 0.158 0.000 2.379 235 V HA -0.099 4.022 4.120 0.001 0.000 0.245 235 V C 2.610 178.780 176.094 0.127 0.000 1.044 235 V CA 1.139 63.586 62.300 0.245 0.000 1.036 235 V CB -0.509 31.480 31.823 0.276 0.000 0.664 235 V HN 0.290 nan 8.190 nan 0.000 0.453 236 V N 0.254 120.218 119.914 0.082 0.000 2.307 236 V HA -0.225 3.896 4.120 0.001 0.000 0.245 236 V C 2.700 178.794 176.094 -0.001 0.000 1.045 236 V CA 2.058 64.383 62.300 0.041 0.000 1.024 236 V CB -0.991 30.852 31.823 0.033 0.000 0.651 236 V HN 0.548 nan 8.190 nan 0.000 0.449 237 A N -0.350 122.451 122.820 -0.033 0.000 1.902 237 A HA -0.216 4.105 4.320 0.001 0.000 0.217 237 A C 2.388 179.918 177.584 -0.090 0.000 1.181 237 A CA 2.498 54.491 52.037 -0.073 0.000 0.623 237 A CB -0.979 17.958 19.000 -0.105 0.000 0.818 237 A HN 0.518 nan 8.150 nan 0.000 0.443 238 T N 0.512 115.004 114.554 -0.103 0.000 2.622 238 T HA -0.068 4.283 4.350 0.001 0.000 0.266 238 T C 2.279 176.914 174.700 -0.109 0.000 1.047 238 T CA 1.880 63.894 62.100 -0.143 0.000 1.159 238 T CB -0.645 68.155 68.868 -0.113 0.000 0.863 238 T HN 0.616 nan 8.240 nan 0.000 0.422 239 A N 1.725 124.512 122.820 -0.056 0.000 1.873 239 A HA 0.023 4.344 4.320 0.001 0.000 0.218 239 A C 2.695 180.278 177.584 -0.001 0.000 1.193 239 A CA 2.238 54.257 52.037 -0.030 0.000 0.629 239 A CB -1.342 17.666 19.000 0.013 0.000 0.826 239 A HN 0.538 nan 8.150 nan 0.000 0.447 240 A N -0.398 122.426 122.820 0.007 0.000 1.940 240 A HA 0.104 4.425 4.320 0.001 0.000 0.219 240 A C 2.497 180.107 177.584 0.044 0.000 1.176 240 A CA 2.358 54.413 52.037 0.030 0.000 0.631 240 A CB -0.994 18.011 19.000 0.008 0.000 0.814 240 A HN 1.146 nan 8.150 nan 0.000 0.446 241 A N -0.278 122.548 122.820 0.010 0.000 1.930 241 A HA -0.007 4.313 4.320 0.001 0.000 0.217 241 A C 2.100 179.735 177.584 0.085 0.000 1.175 241 A CA 1.359 53.421 52.037 0.043 0.000 0.627 241 A CB -0.554 18.440 19.000 -0.011 0.000 0.815 241 A HN 0.488 nan 8.150 nan 0.000 0.443 242 I N -0.189 120.384 120.570 0.004 0.000 2.163 242 I HA -0.279 3.891 4.170 0.001 0.000 0.243 242 I C 2.357 178.496 176.117 0.036 0.000 1.085 242 I CA 1.227 62.513 61.300 -0.023 0.000 1.347 242 I CB -0.314 37.631 38.000 -0.091 0.000 1.044 242 I HN 0.295 nan 8.210 nan 0.000 0.408 243 L N 0.097 121.359 121.223 0.065 0.000 2.056 243 L HA -0.095 4.246 4.340 0.001 0.000 0.207 243 L C 2.716 179.739 176.870 0.255 0.000 1.078 243 L CA 1.479 56.396 54.840 0.128 0.000 0.749 243 L CB -1.265 40.941 42.059 0.244 0.000 0.901 243 L HN 0.314 nan 8.230 nan 0.000 0.433 244 G N -0.491 108.447 108.800 0.230 0.000 2.446 244 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 244 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 244 G C 1.363 176.408 174.900 0.242 0.000 1.168 244 G CA 0.376 45.611 45.100 0.226 0.000 0.771 244 G HN 0.403 nan 8.290 nan 0.000 0.551 245 W N 1.160 122.490 121.300 0.050 0.000 2.354 245 W HA -0.063 4.597 4.660 0.001 0.000 0.315 245 W C 2.244 178.779 176.519 0.027 0.000 1.206 245 W CA 0.844 58.211 57.345 0.036 0.000 1.290 245 W CB -0.518 28.943 29.460 0.001 0.000 1.152 245 W HN 0.103 nan 8.180 nan 0.000 0.489 246 I N 0.471 121.219 120.570 0.298 0.000 2.163 246 I HA -0.309 3.862 4.170 0.001 0.000 0.243 246 I C 2.343 178.533 176.117 0.120 0.000 1.085 246 I CA 1.557 62.909 61.300 0.087 0.000 1.347 246 I CB -1.787 36.086 38.000 -0.212 0.000 1.044 246 I HN -0.147 nan 8.210 nan 0.000 0.408 247 F N 0.889 121.010 119.950 0.285 0.000 2.293 247 F HA -0.039 4.489 4.527 0.001 0.000 0.300 247 F C 2.525 178.427 175.800 0.170 0.000 1.086 247 F CA 1.040 59.182 58.000 0.237 0.000 1.375 247 F CB -1.348 37.731 39.000 0.132 0.000 1.045 247 F HN 0.060 nan 8.300 nan 0.000 0.516 248 G N -0.641 108.318 108.800 0.265 0.000 2.434 248 G HA2 -0.216 3.745 3.960 0.001 0.000 0.214 248 G HA3 -0.216 3.745 3.960 0.001 0.000 0.214 248 G C 1.593 176.577 174.900 0.140 0.000 1.202 248 G CA 0.651 45.829 45.100 0.130 0.000 0.788 248 G HN 0.333 nan 8.290 nan 0.000 0.539 249 E N -0.792 119.499 120.200 0.153 0.000 2.038 249 E HA -0.180 4.171 4.350 0.001 0.000 0.195 249 E C 2.128 178.878 176.600 0.250 0.000 1.000 249 E CA 0.997 57.503 56.400 0.177 0.000 0.803 249 E CB -0.236 29.610 29.700 0.244 0.000 0.750 249 E HN 0.488 nan 8.360 nan 0.000 0.448 250 W N 0.794 122.142 121.300 0.080 0.000 2.342 250 W HA -0.148 4.512 4.660 0.001 0.000 0.297 250 W C 2.113 178.683 176.519 0.086 0.000 1.213 250 W CA 1.940 59.331 57.345 0.076 0.000 1.251 250 W CB -0.657 28.853 29.460 0.084 0.000 1.136 250 W HN 0.165 nan 8.180 nan 0.000 0.526 251 A N -1.209 121.794 122.820 0.305 0.000 1.935 251 A HA -0.017 4.303 4.320 0.001 0.000 0.214 251 A C 1.837 179.493 177.584 0.120 0.000 1.178 251 A CA 1.100 53.226 52.037 0.148 0.000 0.640 251 A CB -0.687 18.372 19.000 0.100 0.000 0.825 251 A HN 0.135 nan 8.150 nan 0.000 0.447 252 L N -1.029 120.267 121.223 0.121 0.000 2.307 252 L HA 0.203 4.544 4.340 0.001 0.000 0.211 252 L C 2.260 179.182 176.870 0.087 0.000 1.099 252 L CA 1.440 56.331 54.840 0.084 0.000 0.816 252 L CB -0.586 41.510 42.059 0.061 0.000 0.952 252 L HN 0.301 nan 8.230 nan 0.000 0.455 253 R N -1.912 118.656 120.500 0.113 0.000 2.344 253 R HA 0.356 4.697 4.340 0.001 0.000 0.209 253 R C 1.257 177.625 176.300 0.113 0.000 0.886 253 R CA 0.662 56.821 56.100 0.098 0.000 1.040 253 R CB 0.619 30.971 30.300 0.086 0.000 1.114 253 R HN 0.296 nan 8.270 nan 0.000 0.547 254 G N 0.953 109.857 108.800 0.173 0.000 2.232 254 G HA2 -0.243 3.718 3.960 0.001 0.000 0.226 254 G HA3 -0.243 3.718 3.960 0.001 0.000 0.226 254 G C -0.009 175.037 174.900 0.244 0.000 0.996 254 G CA -0.172 45.052 45.100 0.206 0.000 0.626 254 G HN 0.200 nan 8.290 nan 0.000 0.509 255 K N 0.731 121.203 120.400 0.121 0.000 2.523 255 K HA 0.481 4.802 4.320 0.001 0.000 0.257 255 K C -3.036 173.399 176.600 -0.276 0.000 0.932 255 K CA -1.794 54.417 56.287 -0.127 0.000 0.812 255 K CB 3.436 35.879 32.500 -0.095 0.000 1.326 255 K HN -0.012 nan 8.250 nan 0.000 0.433 256 P HA 0.053 nan 4.420 nan 0.000 0.287 256 P C -0.746 176.351 177.300 -0.338 0.000 1.307 256 P CA -0.279 62.504 63.100 -0.528 0.000 0.777 256 P CB 1.015 32.126 31.700 -0.982 0.000 0.883 257 S N 3.044 118.637 115.700 -0.178 0.000 2.690 257 S HA 0.282 4.753 4.470 0.001 0.000 0.291 257 S C 1.037 175.544 174.600 -0.155 0.000 1.138 257 S CA -0.739 57.374 58.200 -0.145 0.000 1.013 257 S CB 1.078 64.235 63.200 -0.071 0.000 1.053 257 S HN 0.260 nan 8.310 nan 0.000 0.539 258 L N 1.085 122.219 121.223 -0.148 0.000 2.093 258 L HA 0.146 4.487 4.340 0.001 0.000 0.208 258 L C 2.022 178.816 176.870 -0.128 0.000 1.085 258 L CA 1.444 56.196 54.840 -0.146 0.000 0.755 258 L CB -0.911 41.059 42.059 -0.148 0.000 0.904 258 L HN 0.792 nan 8.230 nan 0.000 0.435 259 L N -0.130 121.025 121.223 -0.113 0.000 2.131 259 L HA -0.003 4.337 4.340 0.001 0.000 0.210 259 L C 2.242 178.963 176.870 -0.247 0.000 1.092 259 L CA 1.917 56.685 54.840 -0.120 0.000 0.759 259 L CB -1.303 40.715 42.059 -0.068 0.000 0.903 259 L HN 0.330 nan 8.230 nan 0.000 0.435 260 G N -1.435 107.212 108.800 -0.254 0.000 2.394 260 G HA2 -0.160 3.801 3.960 0.001 0.000 0.215 260 G HA3 -0.160 3.801 3.960 0.001 0.000 0.215 260 G C 1.598 176.030 174.900 -0.780 0.000 1.165 260 G CA 0.613 45.391 45.100 -0.536 0.000 0.784 260 G HN 0.565 nan 8.290 nan 0.000 0.535 261 A N 0.031 122.624 122.820 -0.378 0.000 1.898 261 A HA -0.048 4.273 4.320 0.001 0.000 0.216 261 A C 2.574 179.979 177.584 -0.299 0.000 1.181 261 A CA 1.766 53.631 52.037 -0.287 0.000 0.620 261 A CB -0.950 17.943 19.000 -0.177 0.000 0.819 261 A HN 0.414 nan 8.150 nan 0.000 0.442 262 C N -0.931 118.226 119.300 -0.239 0.000 2.453 262 C HA -0.045 4.415 4.460 0.001 0.000 0.277 262 C C 3.250 178.077 174.990 -0.271 0.000 1.262 262 C CA 1.265 60.194 59.018 -0.147 0.000 1.718 262 C CB -1.228 26.538 27.740 0.043 0.000 2.031 262 C HN 0.603 nan 8.230 nan 0.000 0.480 263 S N 0.700 116.110 115.700 -0.483 0.000 2.383 263 S HA -0.088 4.383 4.470 0.001 0.000 0.229 263 S C 2.055 176.206 174.600 -0.748 0.000 1.030 263 S CA 1.548 59.341 58.200 -0.679 0.000 1.002 263 S CB -0.720 61.786 63.200 -1.157 0.000 0.829 263 S HN 0.776 nan 8.310 nan 0.000 0.467 264 G N 1.384 109.672 108.800 -0.854 0.000 2.421 264 G HA2 -0.098 3.863 3.960 0.001 0.000 0.216 264 G HA3 -0.098 3.863 3.960 0.001 0.000 0.216 264 G C 1.579 176.371 174.900 -0.180 0.000 1.171 264 G CA 0.970 45.936 45.100 -0.223 0.000 0.775 264 G HN 0.582 nan 8.290 nan 0.000 0.543 265 A N 1.144 123.801 122.820 -0.272 0.000 1.865 265 A HA -0.026 4.295 4.320 0.001 0.000 0.217 265 A C 2.350 179.711 177.584 -0.371 0.000 1.191 265 A CA 1.641 53.495 52.037 -0.305 0.000 0.623 265 A CB -0.356 18.438 19.000 -0.343 0.000 0.826 265 A HN 0.274 nan 8.150 nan 0.000 0.444 266 I N 0.160 120.505 120.570 -0.375 0.000 2.208 266 I HA -0.266 3.905 4.170 0.001 0.000 0.245 266 I C 2.914 178.777 176.117 -0.424 0.000 1.097 266 I CA 1.494 62.528 61.300 -0.443 0.000 1.363 266 I CB -1.808 35.968 38.000 -0.374 0.000 1.051 266 I HN 0.368 nan 8.210 nan 0.000 0.413 267 A N 1.129 123.807 122.820 -0.237 0.000 1.902 267 A HA -0.093 4.228 4.320 0.001 0.000 0.217 267 A C 2.553 180.015 177.584 -0.202 0.000 1.181 267 A CA 1.924 53.881 52.037 -0.132 0.000 0.623 267 A CB -1.366 17.716 19.000 0.136 0.000 0.818 267 A HN 0.425 nan 8.150 nan 0.000 0.443 268 G N -0.102 108.572 108.800 -0.209 0.000 2.446 268 G HA2 -0.189 3.772 3.960 0.001 0.000 0.217 268 G HA3 -0.189 3.772 3.960 0.001 0.000 0.217 268 G C 1.569 176.246 174.900 -0.371 0.000 1.168 268 G CA 1.107 46.071 45.100 -0.227 0.000 0.771 268 G HN 0.430 nan 8.290 nan 0.000 0.551 269 L N 0.152 121.002 121.223 -0.622 0.000 2.042 269 L HA -0.114 4.227 4.340 0.001 0.000 0.210 269 L C 3.023 179.409 176.870 -0.806 0.000 1.076 269 L CA 0.618 54.809 54.840 -1.080 0.000 0.749 269 L CB -0.508 40.315 42.059 -2.060 0.000 0.893 269 L HN 0.106 nan 8.230 nan 0.000 0.432 270 V N -0.010 119.508 119.914 -0.660 0.000 2.358 270 V HA -0.190 3.931 4.120 0.001 0.000 0.246 270 V C 2.637 178.571 176.094 -0.267 0.000 1.047 270 V CA 1.933 63.898 62.300 -0.558 0.000 1.035 270 V CB -1.322 30.098 31.823 -0.671 0.000 0.658 270 V HN 0.569 nan 8.190 nan 0.000 0.452 271 G N -0.713 107.959 108.800 -0.214 0.000 2.476 271 G HA2 -0.245 3.716 3.960 0.001 0.000 0.218 271 G HA3 -0.245 3.716 3.960 0.001 0.000 0.218 271 G C 1.679 176.564 174.900 -0.024 0.000 1.164 271 G CA 1.285 46.330 45.100 -0.092 0.000 0.768 271 G HN 0.396 nan 8.290 nan 0.000 0.560 272 V N 0.575 120.454 119.914 -0.058 0.000 3.406 272 V HA -0.007 4.114 4.120 0.001 0.000 0.263 272 V C 2.859 179.050 176.094 0.162 0.000 1.172 272 V CA 1.868 64.179 62.300 0.018 0.000 1.140 272 V CB -0.428 31.363 31.823 -0.052 0.000 0.784 272 V HN 0.397 nan 8.190 nan 0.000 0.467 273 T N 2.019 116.721 114.554 0.246 0.000 2.597 273 T HA -0.135 4.215 4.350 0.001 0.000 0.267 273 T C -0.206 174.834 174.700 0.567 0.000 1.053 273 T CA 2.350 64.775 62.100 0.541 0.000 1.165 273 T CB -1.214 68.105 68.868 0.751 0.000 0.863 273 T HN 0.538 nan 8.240 nan 0.000 0.427 274 P HA 0.172 nan 4.420 nan 0.000 0.225 274 P C 0.869 178.478 177.300 0.514 0.000 1.156 274 P CA 0.965 64.369 63.100 0.507 0.000 0.787 274 P CB -0.027 31.907 31.700 0.390 0.000 0.802 275 A N -0.245 122.798 122.820 0.371 0.000 2.115 275 A HA 0.014 4.335 4.320 0.001 0.000 0.211 275 A C 2.380 180.066 177.584 0.170 0.000 1.169 275 A CA 0.697 52.928 52.037 0.324 0.000 0.787 275 A CB -1.647 17.480 19.000 0.212 0.000 0.858 275 A HN 0.363 nan 8.150 nan 0.000 0.474 276 C N -0.906 118.444 119.300 0.084 0.000 2.336 276 C HA -0.141 4.320 4.460 0.001 0.000 0.272 276 C C 2.463 177.220 174.990 -0.389 0.000 1.160 276 C CA 0.974 59.937 59.018 -0.092 0.000 1.783 276 C CB -1.734 26.016 27.740 0.017 0.000 2.050 276 C HN 0.553 nan 8.230 nan 0.000 0.443 277 G N -2.164 105.972 108.800 -1.106 0.000 3.088 277 G HA2 0.292 4.253 3.960 0.001 0.000 0.212 277 G HA3 0.292 4.253 3.960 0.001 0.000 0.212 277 G C 0.851 175.334 174.900 -0.694 0.000 1.173 277 G CA 0.315 44.639 45.100 -1.293 0.000 0.779 277 G HN 0.690 nan 8.290 nan 0.000 0.540 278 Y N -0.066 120.115 120.300 -0.198 0.000 2.483 278 Y HA 0.361 4.912 4.550 0.001 0.000 0.258 278 Y C 1.260 177.154 175.900 -0.009 0.000 1.083 278 Y CA -1.332 56.754 58.100 -0.024 0.000 1.283 278 Y CB 0.346 38.853 38.460 0.079 0.000 1.178 278 Y HN 0.240 nan 8.280 nan 0.000 0.515 279 I N -2.089 118.564 120.570 0.137 0.000 2.982 279 I HA 0.881 5.052 4.170 0.001 0.000 0.312 279 I C 0.641 176.794 176.117 0.060 0.000 1.041 279 I CA -1.214 60.154 61.300 0.114 0.000 1.053 279 I CB 1.404 39.484 38.000 0.133 0.000 1.248 279 I HN -0.026 nan 8.210 nan 0.000 0.471 280 G N 1.054 109.898 108.800 0.072 0.000 2.547 280 G HA2 0.365 4.326 3.960 0.001 0.000 0.291 280 G HA3 0.365 4.326 3.960 0.001 0.000 0.291 280 G C 0.491 175.411 174.900 0.033 0.000 1.211 280 G CA -0.504 44.626 45.100 0.051 0.000 0.950 280 G HN 0.628 nan 8.290 nan 0.000 0.504 281 V N 0.899 120.831 119.914 0.031 0.000 2.343 281 V HA -0.083 4.037 4.120 0.001 0.000 0.247 281 V C 2.759 178.857 176.094 0.007 0.000 1.051 281 V CA 3.027 65.341 62.300 0.023 0.000 1.036 281 V CB -0.716 31.127 31.823 0.033 0.000 0.654 281 V HN 0.835 nan 8.190 nan 0.000 0.451 282 G N -0.864 107.948 108.800 0.020 0.000 2.408 282 G HA2 -0.134 3.826 3.960 0.001 0.000 0.217 282 G HA3 -0.134 3.826 3.960 0.001 0.000 0.217 282 G C 1.572 176.445 174.900 -0.045 0.000 1.150 282 G CA 0.785 45.894 45.100 0.015 0.000 0.776 282 G HN 0.638 nan 8.290 nan 0.000 0.542 283 G N 1.023 109.792 108.800 -0.053 0.000 2.408 283 G HA2 0.076 4.037 3.960 0.001 0.000 0.217 283 G HA3 0.076 4.037 3.960 0.001 0.000 0.217 283 G C 2.010 176.665 174.900 -0.408 0.000 1.150 283 G CA 1.413 46.305 45.100 -0.348 0.000 0.776 283 G HN 0.610 nan 8.290 nan 0.000 0.542 284 A N 0.326 123.041 122.820 -0.176 0.000 1.972 284 A HA 0.127 4.448 4.320 0.001 0.000 0.219 284 A C 2.351 179.857 177.584 -0.130 0.000 1.169 284 A CA 1.279 53.238 52.037 -0.131 0.000 0.635 284 A CB -0.360 18.607 19.000 -0.054 0.000 0.810 284 A HN 0.371 nan 8.150 nan 0.000 0.446 285 L N -0.409 120.749 121.223 -0.109 0.000 2.093 285 L HA -0.128 4.213 4.340 0.001 0.000 0.208 285 L C 2.302 179.110 176.870 -0.103 0.000 1.085 285 L CA 1.301 56.096 54.840 -0.074 0.000 0.755 285 L CB -0.189 41.848 42.059 -0.037 0.000 0.904 285 L HN 0.446 nan 8.230 nan 0.000 0.435 286 I N -0.886 119.570 120.570 -0.190 0.000 2.233 286 I HA -0.283 3.888 4.170 0.001 0.000 0.243 286 I C 2.302 178.298 176.117 -0.201 0.000 1.093 286 I CA 1.204 62.385 61.300 -0.199 0.000 1.380 286 I CB -0.263 37.570 38.000 -0.278 0.000 1.067 286 I HN 0.145 nan 8.210 nan 0.000 0.413 287 I N 1.192 121.585 120.570 -0.294 0.000 2.208 287 I HA -0.229 3.942 4.170 0.001 0.000 0.245 287 I C 2.687 178.742 176.117 -0.104 0.000 1.097 287 I CA 1.646 62.835 61.300 -0.186 0.000 1.363 287 I CB -0.848 37.041 38.000 -0.185 0.000 1.051 287 I HN 0.281 nan 8.210 nan 0.000 0.413 288 G N 0.492 109.232 108.800 -0.101 0.000 2.480 288 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 288 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 288 G C 1.700 176.584 174.900 -0.026 0.000 1.200 288 G CA 1.014 46.075 45.100 -0.065 0.000 0.782 288 G HN 0.241 nan 8.290 nan 0.000 0.554 289 V N 0.303 120.206 119.914 -0.018 0.000 2.343 289 V HA -0.165 3.956 4.120 0.001 0.000 0.247 289 V C 3.035 179.136 176.094 0.012 0.000 1.051 289 V CA 1.506 63.816 62.300 0.017 0.000 1.036 289 V CB -0.284 31.548 31.823 0.016 0.000 0.654 289 V HN 0.242 nan 8.190 nan 0.000 0.451 290 V N 0.040 119.946 119.914 -0.012 0.000 2.358 290 V HA -0.200 3.921 4.120 0.001 0.000 0.246 290 V C 2.663 178.756 176.094 -0.002 0.000 1.047 290 V CA 1.897 64.190 62.300 -0.011 0.000 1.035 290 V CB -0.939 30.875 31.823 -0.015 0.000 0.658 290 V HN 0.556 nan 8.190 nan 0.000 0.452 291 A N 0.473 123.291 122.820 -0.004 0.000 1.902 291 A HA -0.090 4.231 4.320 0.001 0.000 0.217 291 A C 2.415 180.032 177.584 0.055 0.000 1.181 291 A CA 1.895 53.937 52.037 0.008 0.000 0.623 291 A CB -1.227 17.756 19.000 -0.029 0.000 0.818 291 A HN 0.527 nan 8.150 nan 0.000 0.443 292 G N -0.343 108.504 108.800 0.077 0.000 2.442 292 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 292 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 292 G C 1.550 176.501 174.900 0.085 0.000 1.141 292 G CA 1.103 46.317 45.100 0.189 0.000 0.763 292 G HN 0.435 nan 8.290 nan 0.000 0.554 293 L N 0.261 121.487 121.223 0.005 0.000 2.131 293 L HA 0.121 4.462 4.340 0.001 0.000 0.206 293 L C 3.350 180.181 176.870 -0.065 0.000 1.087 293 L CA 0.701 55.496 54.840 -0.075 0.000 0.767 293 L CB -0.248 41.789 42.059 -0.036 0.000 0.917 293 L HN 0.298 nan 8.230 nan 0.000 0.441 294 A N 0.291 123.113 122.820 0.004 0.000 1.902 294 A HA -0.129 4.191 4.320 0.001 0.000 0.217 294 A C 2.357 180.036 177.584 0.158 0.000 1.181 294 A CA 1.745 53.841 52.037 0.099 0.000 0.623 294 A CB -1.195 17.851 19.000 0.077 0.000 0.818 294 A HN 0.428 nan 8.150 nan 0.000 0.443 295 G N -0.178 108.657 108.800 0.057 0.000 2.418 295 G HA2 -0.134 3.827 3.960 0.001 0.000 0.217 295 G HA3 -0.134 3.827 3.960 0.001 0.000 0.217 295 G C 1.479 176.204 174.900 -0.293 0.000 1.158 295 G CA 1.174 46.324 45.100 0.083 0.000 0.771 295 G HN 0.503 nan 8.290 nan 0.000 0.545 296 L N -0.201 120.475 121.223 -0.913 0.000 2.012 296 L HA -0.037 4.304 4.340 0.001 0.000 0.210 296 L C 2.440 179.092 176.870 -0.364 0.000 1.073 296 L CA 2.051 56.169 54.840 -1.203 0.000 0.748 296 L CB -0.815 40.511 42.059 -1.222 0.000 0.891 296 L HN 0.471 nan 8.230 nan 0.000 0.431 297 W N 0.463 121.578 121.300 -0.309 0.000 2.358 297 W HA -0.044 4.617 4.660 0.002 0.000 0.303 297 W C 2.231 178.708 176.519 -0.069 0.000 1.208 297 W CA 2.236 59.494 57.345 -0.145 0.000 1.274 297 W CB -0.906 28.493 29.460 -0.101 0.000 1.138 297 W HN 0.212 nan 8.180 nan 0.000 0.515 298 G N 0.704 109.377 108.800 -0.212 0.000 2.446 298 G HA2 -0.327 3.634 3.960 0.001 0.000 0.217 298 G HA3 -0.327 3.634 3.960 0.001 0.000 0.217 298 G C 1.427 176.182 174.900 -0.242 0.000 1.168 298 G CA 2.362 47.236 45.100 -0.376 0.000 0.771 298 G HN 0.618 nan 8.290 nan 0.000 0.551 299 V N -1.858 118.012 119.914 -0.073 0.000 3.461 299 V HA 0.143 4.264 4.120 0.001 0.000 0.267 299 V C 2.004 178.088 176.094 -0.017 0.000 1.186 299 V CA 2.076 64.396 62.300 0.033 0.000 1.154 299 V CB -0.187 31.767 31.823 0.218 0.000 0.802 299 V HN 0.242 nan 8.190 nan 0.000 0.474 300 T N -0.095 114.393 114.554 -0.110 0.000 3.348 300 T HA 0.268 4.619 4.350 0.001 0.000 0.233 300 T C 1.765 176.381 174.700 -0.139 0.000 0.960 300 T CA 1.030 63.079 62.100 -0.085 0.000 1.343 300 T CB -0.076 68.759 68.868 -0.055 0.000 1.068 300 T HN 0.222 nan 8.240 nan 0.000 0.410 301 M N 1.753 121.207 119.600 -0.244 0.000 2.115 301 M HA 0.215 4.695 4.480 0.001 0.000 0.261 301 M C 2.329 178.413 176.300 -0.359 0.000 1.079 301 M CA 0.889 56.054 55.300 -0.225 0.000 1.143 301 M CB -1.482 31.100 32.600 -0.030 0.000 1.332 301 M HN 0.121 nan 8.290 nan 0.000 0.421 302 L N 0.731 121.434 121.223 -0.866 0.000 2.081 302 L HA -0.243 4.097 4.340 0.001 0.000 0.212 302 L C 2.193 178.889 176.870 -0.290 0.000 1.080 302 L CA 1.931 56.342 54.840 -0.716 0.000 0.754 302 L CB -0.734 40.558 42.059 -1.279 0.000 0.893 302 L HN 0.376 nan 8.230 nan 0.000 0.433 303 K N -0.078 120.178 120.400 -0.239 0.000 2.097 303 K HA -0.182 4.139 4.320 0.001 0.000 0.206 303 K C 2.147 178.726 176.600 -0.035 0.000 1.049 303 K CA 1.419 57.656 56.287 -0.083 0.000 0.933 303 K CB 0.061 32.538 32.500 -0.039 0.000 0.717 303 K HN 0.463 nan 8.250 nan 0.000 0.442 304 R N 0.498 120.971 120.500 -0.044 0.000 2.075 304 R HA 0.001 4.342 4.340 0.001 0.000 0.226 304 R C 2.358 178.662 176.300 0.007 0.000 1.114 304 R CA 0.510 56.610 56.100 0.001 0.000 0.972 304 R CB -0.354 29.948 30.300 0.002 0.000 0.869 304 R HN 0.176 nan 8.270 nan 0.000 0.437 305 L N 1.698 122.918 121.223 -0.005 0.000 2.081 305 L HA -0.178 4.163 4.340 0.001 0.000 0.212 305 L C 1.609 178.493 176.870 0.024 0.000 1.080 305 L CA 1.948 56.803 54.840 0.024 0.000 0.754 305 L CB -0.218 41.870 42.059 0.049 0.000 0.893 305 L HN 0.208 nan 8.230 nan 0.000 0.433 306 L N -0.767 120.461 121.223 0.008 0.000 2.529 306 L HA 0.156 4.497 4.340 0.001 0.000 0.223 306 L C 1.127 178.012 176.870 0.025 0.000 1.113 306 L CA 0.102 54.949 54.840 0.011 0.000 0.861 306 L CB -0.441 41.608 42.059 -0.016 0.000 1.012 306 L HN 0.229 nan 8.230 nan 0.000 0.461 307 R N -0.682 119.831 120.500 0.022 0.000 3.188 307 R HA -0.124 4.217 4.340 0.001 0.000 0.247 307 R C -1.145 175.142 176.300 -0.022 0.000 0.918 307 R CA 0.275 56.388 56.100 0.022 0.000 0.629 307 R CB -2.831 27.489 30.300 0.034 0.000 1.087 307 R HN 0.183 nan 8.270 nan 0.000 0.462 308 V N 0.952 120.831 119.914 -0.058 0.000 2.709 308 V HA 0.233 4.354 4.120 0.001 0.000 0.308 308 V C -0.304 175.642 176.094 -0.247 0.000 1.062 308 V CA -0.662 61.564 62.300 -0.124 0.000 0.901 308 V CB 2.096 33.893 31.823 -0.043 0.000 1.003 308 V HN 0.359 nan 8.190 nan 0.000 0.425 309 D N 3.191 123.333 120.400 -0.431 0.000 2.441 309 D HA 0.268 4.909 4.640 0.001 0.000 0.221 309 D C -0.706 175.396 176.300 -0.330 0.000 1.156 309 D CA -0.055 53.581 54.000 -0.606 0.000 0.896 309 D CB 0.730 40.891 40.800 -1.065 0.000 1.028 309 D HN 0.584 nan 8.370 nan 0.000 0.509 310 D N 4.606 124.890 120.400 -0.192 0.000 2.462 310 D HA 0.280 4.921 4.640 0.001 0.000 0.249 310 D C -1.927 174.328 176.300 -0.074 0.000 1.117 310 D CA -2.320 51.614 54.000 -0.111 0.000 0.900 310 D CB 1.694 42.474 40.800 -0.034 0.000 1.039 310 D HN 0.102 nan 8.370 nan 0.000 0.516 311 P HA -0.119 nan 4.420 nan 0.000 0.216 311 P C 0.818 178.104 177.300 -0.023 0.000 1.154 311 P CA 1.031 64.100 63.100 -0.050 0.000 0.865 311 P CB 0.257 31.922 31.700 -0.058 0.000 0.789 312 C N -1.067 118.188 119.300 -0.076 0.000 2.614 312 C HA 0.163 4.624 4.460 0.001 0.000 0.299 312 C C 0.284 175.348 174.990 0.124 0.000 1.293 312 C CA -0.566 58.437 59.018 -0.025 0.000 1.713 312 C CB -2.041 25.542 27.740 -0.262 0.000 1.890 312 C HN 0.387 nan 8.230 nan 0.000 0.602 313 D N 0.431 120.896 120.400 0.108 0.000 2.701 313 D HA -0.140 4.501 4.640 0.001 0.000 0.235 313 D C 1.157 177.610 176.300 0.255 0.000 1.155 313 D CA 0.629 54.732 54.000 0.172 0.000 0.649 313 D CB -0.930 39.986 40.800 0.193 0.000 1.050 313 D HN 0.363 nan 8.370 nan 0.000 0.425 314 V N -0.664 119.393 119.914 0.239 0.000 2.332 314 V HA -0.261 3.860 4.120 0.001 0.000 0.248 314 V C 2.072 178.379 176.094 0.356 0.000 1.055 314 V CA 1.966 64.459 62.300 0.321 0.000 1.038 314 V CB -0.493 31.450 31.823 0.201 0.000 0.651 314 V HN 0.339 nan 8.190 nan 0.000 0.450 315 F N 1.801 121.846 119.950 0.158 0.000 2.367 315 F HA 0.147 4.675 4.527 0.001 0.000 0.298 315 F C 2.163 178.045 175.800 0.136 0.000 1.094 315 F CA 1.071 59.159 58.000 0.146 0.000 1.409 315 F CB -0.523 38.530 39.000 0.088 0.000 1.064 315 F HN 0.136 nan 8.300 nan 0.000 0.528 316 G N -0.593 108.292 108.800 0.143 0.000 2.422 316 G HA2 -0.110 3.851 3.960 0.001 0.000 0.218 316 G HA3 -0.110 3.851 3.960 0.001 0.000 0.218 316 G C 1.522 176.450 174.900 0.047 0.000 1.140 316 G CA 1.224 46.349 45.100 0.041 0.000 0.775 316 G HN 0.309 nan 8.290 nan 0.000 0.545 317 V N -0.419 119.565 119.914 0.116 0.000 2.502 317 V HA 0.045 4.165 4.120 0.001 0.000 0.234 317 V C 2.300 178.370 176.094 -0.039 0.000 1.072 317 V CA 0.876 63.222 62.300 0.076 0.000 1.094 317 V CB -0.679 31.213 31.823 0.115 0.000 0.761 317 V HN 0.343 nan 8.190 nan 0.000 0.489 318 H N 0.359 119.478 119.070 0.081 0.000 2.423 318 H HA -0.065 4.491 4.556 0.001 0.000 0.297 318 H C 2.237 177.581 175.328 0.026 0.000 1.075 318 H CA 1.604 57.719 56.048 0.113 0.000 1.342 318 H CB -0.219 29.710 29.762 0.279 0.000 1.395 318 H HN 0.502 nan 8.280 nan 0.000 0.530 319 G N 0.575 109.320 108.800 -0.091 0.000 2.454 319 G HA2 -0.151 3.809 3.960 0.001 0.000 0.214 319 G HA3 -0.151 3.809 3.960 0.001 0.000 0.214 319 G C 1.934 176.594 174.900 -0.401 0.000 1.217 319 G CA 0.844 45.641 45.100 -0.504 0.000 0.799 319 G HN 0.202 nan 8.290 nan 0.000 0.538 320 V N 0.786 120.445 119.914 -0.426 0.000 2.255 320 V HA -0.252 3.869 4.120 0.001 0.000 0.247 320 V C 3.091 179.175 176.094 -0.017 0.000 1.051 320 V CA 2.026 64.254 62.300 -0.120 0.000 1.018 320 V CB -0.764 31.074 31.823 0.025 0.000 0.641 320 V HN 0.519 nan 8.190 nan 0.000 0.445 321 C N 0.575 119.857 119.300 -0.030 0.000 2.432 321 C HA 0.037 4.498 4.460 0.001 0.000 0.280 321 C C 2.842 177.825 174.990 -0.011 0.000 1.353 321 C CA 0.396 59.398 59.018 -0.028 0.000 1.766 321 C CB -1.714 25.977 27.740 -0.081 0.000 1.924 321 C HN 0.702 nan 8.230 nan 0.000 0.509 322 G N 0.752 109.563 108.800 0.018 0.000 2.404 322 G HA2 -0.111 3.850 3.960 0.001 0.000 0.215 322 G HA3 -0.111 3.850 3.960 0.001 0.000 0.215 322 G C 1.489 176.458 174.900 0.116 0.000 1.174 322 G CA 0.584 45.751 45.100 0.112 0.000 0.780 322 G HN 0.508 nan 8.290 nan 0.000 0.537 323 I N 0.454 121.076 120.570 0.086 0.000 2.179 323 I HA -0.176 3.995 4.170 0.001 0.000 0.242 323 I C 2.801 178.969 176.117 0.085 0.000 1.088 323 I CA 0.670 62.026 61.300 0.093 0.000 1.357 323 I CB -0.306 37.747 38.000 0.087 0.000 1.051 323 I HN 0.021 nan 8.210 nan 0.000 0.409 324 V N 1.025 120.979 119.914 0.065 0.000 2.343 324 V HA -0.230 3.891 4.120 0.001 0.000 0.247 324 V C 2.545 178.684 176.094 0.074 0.000 1.051 324 V CA 2.221 64.556 62.300 0.059 0.000 1.036 324 V CB -1.403 30.442 31.823 0.037 0.000 0.654 324 V HN 0.592 nan 8.190 nan 0.000 0.451 325 G N -1.507 107.338 108.800 0.076 0.000 2.402 325 G HA2 -0.229 3.732 3.960 0.001 0.000 0.216 325 G HA3 -0.229 3.732 3.960 0.001 0.000 0.216 325 G C 1.726 176.713 174.900 0.144 0.000 1.162 325 G CA 1.162 46.321 45.100 0.099 0.000 0.777 325 G HN 0.525 nan 8.290 nan 0.000 0.539 326 C N 0.255 119.644 119.300 0.148 0.000 2.425 326 C HA 0.065 4.526 4.460 0.001 0.000 0.277 326 C C 2.830 177.899 174.990 0.131 0.000 1.280 326 C CA 0.425 59.537 59.018 0.156 0.000 1.744 326 C CB -0.887 26.941 27.740 0.147 0.000 1.989 326 C HN 0.469 nan 8.230 nan 0.000 0.491 327 I N 0.192 120.830 120.570 0.114 0.000 2.233 327 I HA -0.226 3.945 4.170 0.001 0.000 0.243 327 I C 2.560 178.756 176.117 0.132 0.000 1.093 327 I CA 1.601 62.961 61.300 0.100 0.000 1.380 327 I CB -0.363 37.685 38.000 0.081 0.000 1.067 327 I HN 0.285 nan 8.210 nan 0.000 0.413 328 M N -0.183 119.513 119.600 0.160 0.000 2.213 328 M HA -0.182 4.299 4.480 0.001 0.000 0.263 328 M C 2.266 178.749 176.300 0.305 0.000 1.062 328 M CA 1.702 57.152 55.300 0.250 0.000 1.105 328 M CB -0.648 32.090 32.600 0.230 0.000 1.385 328 M HN 0.259 nan 8.290 nan 0.000 0.417 329 T N 0.214 114.909 114.554 0.234 0.000 2.759 329 T HA -0.124 4.227 4.350 0.001 0.000 0.269 329 T C 1.742 176.575 174.700 0.222 0.000 1.042 329 T CA 1.607 63.849 62.100 0.238 0.000 1.140 329 T CB -0.724 68.280 68.868 0.226 0.000 0.864 329 T HN 0.659 nan 8.240 nan 0.000 0.455 330 G N 0.262 109.174 108.800 0.187 0.000 2.625 330 G HA2 0.011 3.972 3.960 0.001 0.000 0.214 330 G HA3 0.011 3.972 3.960 0.001 0.000 0.214 330 G C 1.298 176.358 174.900 0.267 0.000 1.132 330 G CA 0.311 45.521 45.100 0.184 0.000 0.782 330 G HN 0.502 nan 8.290 nan 0.000 0.538 331 I N -1.593 119.110 120.570 0.222 0.000 3.132 331 I HA 0.216 4.387 4.170 0.001 0.000 0.255 331 I C 1.568 177.666 176.117 -0.033 0.000 1.118 331 I CA 0.018 61.378 61.300 0.101 0.000 1.463 331 I CB -0.029 37.947 38.000 -0.040 0.000 1.356 331 I HN -0.032 nan 8.210 nan 0.000 0.463 332 F N 1.741 121.741 119.950 0.083 0.000 2.722 332 F HA 0.033 4.561 4.527 0.001 0.000 0.298 332 F C 2.301 178.077 175.800 -0.040 0.000 1.175 332 F CA 0.668 58.683 58.000 0.026 0.000 1.462 332 F CB -0.430 38.594 39.000 0.040 0.000 1.111 332 F HN 0.024 nan 8.300 nan 0.000 0.592 333 A N 0.204 123.019 122.820 -0.009 0.000 2.072 333 A HA 0.368 4.689 4.320 0.001 0.000 0.216 333 A C 1.622 178.831 177.584 -0.625 0.000 1.156 333 A CA 0.453 52.351 52.037 -0.231 0.000 0.701 333 A CB -0.797 18.060 19.000 -0.237 0.000 0.816 333 A HN 0.148 nan 8.150 nan 0.000 0.458 334 A N 0.741 123.127 122.820 -0.723 0.000 2.565 334 A HA 0.316 4.637 4.320 0.001 0.000 0.237 334 A C 1.647 179.049 177.584 -0.303 0.000 1.053 334 A CA 0.509 52.172 52.037 -0.625 0.000 0.755 334 A CB -0.021 18.843 19.000 -0.228 0.000 0.980 334 A HN 0.997 nan 8.150 nan 0.000 0.506 335 S N 1.969 117.529 115.700 -0.232 0.000 2.368 335 S HA -0.213 4.258 4.470 0.001 0.000 0.225 335 S C 1.842 176.408 174.600 -0.058 0.000 1.030 335 S CA 1.534 59.670 58.200 -0.107 0.000 0.999 335 S CB -0.889 62.273 63.200 -0.063 0.000 0.844 335 S HN 1.497 nan 8.310 nan 0.000 0.459 336 S N 1.596 117.265 115.700 -0.052 0.000 2.507 336 S HA 0.178 4.648 4.470 0.001 0.000 0.235 336 S C 1.415 176.002 174.600 -0.023 0.000 0.988 336 S CA 0.443 58.627 58.200 -0.027 0.000 0.944 336 S CB -0.659 62.530 63.200 -0.019 0.000 0.762 336 S HN 0.514 nan 8.310 nan 0.000 0.526 337 L N 0.956 122.154 121.223 -0.040 0.000 2.628 337 L HA 0.371 4.712 4.340 0.001 0.000 0.229 337 L C 1.592 178.507 176.870 0.075 0.000 1.137 337 L CA 0.264 55.105 54.840 0.002 0.000 0.909 337 L CB -0.199 41.802 42.059 -0.097 0.000 1.137 337 L HN 0.555 nan 8.230 nan 0.000 0.470 338 G N -0.081 108.739 108.800 0.033 0.000 2.136 338 G HA2 -0.222 3.739 3.960 0.001 0.000 0.242 338 G HA3 -0.222 3.739 3.960 0.001 0.000 0.242 338 G C 0.525 175.449 174.900 0.040 0.000 0.989 338 G CA -0.084 45.042 45.100 0.042 0.000 0.682 338 G HN 0.500 nan 8.290 nan 0.000 0.522 339 G N -1.528 107.279 108.800 0.011 0.000 2.588 339 G HA2 0.530 4.490 3.960 0.001 0.000 0.281 339 G HA3 0.530 4.490 3.960 0.001 0.000 0.281 339 G C 1.074 175.963 174.900 -0.019 0.000 1.236 339 G CA 0.356 45.455 45.100 -0.001 0.000 0.969 339 G HN 0.866 nan 8.290 nan 0.000 0.504 340 V N 0.084 120.005 119.914 0.012 0.000 3.461 340 V HA 0.393 4.514 4.120 0.001 0.000 0.267 340 V C 1.301 177.395 176.094 -0.000 0.000 1.186 340 V CA 1.712 64.034 62.300 0.035 0.000 1.154 340 V CB -1.079 30.809 31.823 0.107 0.000 0.802 340 V HN 1.834 nan 8.190 nan 0.000 0.474 341 G N -0.349 108.383 108.800 -0.114 0.000 2.895 341 G HA2 -0.169 3.792 3.960 0.001 0.000 0.686 341 G HA3 -0.169 3.792 3.960 0.001 0.000 0.686 341 G C -0.589 174.232 174.900 -0.132 0.000 1.108 341 G CA -0.493 44.502 45.100 -0.176 0.000 0.761 341 G HN 0.170 nan 8.290 nan 0.000 0.611 342 F N 1.364 121.339 119.950 0.042 0.000 2.485 342 F HA 0.563 5.091 4.527 0.001 0.000 0.327 342 F C 1.519 177.350 175.800 0.051 0.000 1.203 342 F CA 0.505 58.522 58.000 0.030 0.000 1.295 342 F CB 0.321 39.334 39.000 0.022 0.000 1.191 342 F HN 0.981 nan 8.300 nan 0.000 0.588 343 A N 0.928 123.914 122.820 0.276 0.000 2.492 343 A HA 0.075 4.396 4.320 0.001 0.000 0.236 343 A C 0.348 178.028 177.584 0.158 0.000 1.078 343 A CA -0.601 51.546 52.037 0.182 0.000 0.773 343 A CB -0.111 18.983 19.000 0.157 0.000 1.023 343 A HN 0.641 nan 8.150 nan 0.000 0.504 344 E N 0.040 120.309 120.200 0.115 0.000 2.480 344 E HA 0.254 4.605 4.350 0.001 0.000 0.258 344 E C 1.313 177.959 176.600 0.075 0.000 0.984 344 E CA 1.596 58.050 56.400 0.089 0.000 0.930 344 E CB 0.363 30.104 29.700 0.068 0.000 0.936 344 E HN 1.308 nan 8.360 nan 0.000 0.466 345 G N 2.339 111.180 108.800 0.068 0.000 2.358 345 G HA2 -0.312 3.649 3.960 0.001 0.000 0.224 345 G HA3 -0.312 3.649 3.960 0.001 0.000 0.224 345 G C 0.427 175.350 174.900 0.037 0.000 1.073 345 G CA 0.072 45.196 45.100 0.040 0.000 0.635 345 G HN 0.459 nan 8.290 nan 0.000 0.509 346 V N 2.899 122.855 119.914 0.070 0.000 2.740 346 V HA 0.509 4.630 4.120 0.001 0.000 0.303 346 V C 0.883 176.981 176.094 0.007 0.000 1.054 346 V CA 0.905 63.237 62.300 0.054 0.000 1.106 346 V CB 1.091 32.966 31.823 0.086 0.000 0.957 346 V HN 0.839 nan 8.190 nan 0.000 0.486 347 T N 2.675 117.164 114.554 -0.108 0.000 2.907 347 T HA 0.348 4.698 4.350 0.001 0.000 0.292 347 T C 0.832 175.269 174.700 -0.439 0.000 1.043 347 T CA -0.725 61.288 62.100 -0.146 0.000 1.003 347 T CB 1.710 70.554 68.868 -0.039 0.000 1.084 347 T HN 0.488 nan 8.240 nan 0.000 0.483 348 M N 1.827 121.173 119.600 -0.424 0.000 2.124 348 M HA -0.196 4.285 4.480 0.001 0.000 0.253 348 M C 2.084 178.221 176.300 -0.273 0.000 1.077 348 M CA 2.860 57.916 55.300 -0.406 0.000 1.085 348 M CB -1.673 30.948 32.600 0.035 0.000 1.320 348 M HN 0.988 nan 8.290 nan 0.000 0.404 349 G N -0.461 108.255 108.800 -0.141 0.000 2.586 349 G HA2 -0.332 3.629 3.960 0.001 0.000 0.218 349 G HA3 -0.332 3.629 3.960 0.001 0.000 0.218 349 G C 1.455 176.309 174.900 -0.077 0.000 1.216 349 G CA 1.461 46.514 45.100 -0.078 0.000 0.786 349 G HN 0.772 nan 8.290 nan 0.000 0.583 350 H N 0.133 119.102 119.070 -0.168 0.000 2.290 350 H HA -0.158 4.399 4.556 0.002 0.000 0.298 350 H C 2.673 177.897 175.328 -0.174 0.000 1.087 350 H CA 2.116 58.072 56.048 -0.153 0.000 1.291 350 H CB -0.087 29.586 29.762 -0.147 0.000 1.369 350 H HN 0.364 nan 8.280 nan 0.000 0.492 351 Q N 1.030 120.539 119.800 -0.484 0.000 2.152 351 Q HA -0.132 4.209 4.340 0.001 0.000 0.206 351 Q C 2.706 178.521 176.000 -0.307 0.000 0.985 351 Q CA 1.461 56.959 55.803 -0.508 0.000 0.863 351 Q CB -0.591 27.745 28.738 -0.669 0.000 0.904 351 Q HN 0.571 nan 8.270 nan 0.000 0.422 352 L N -0.447 120.640 121.223 -0.226 0.000 2.079 352 L HA -0.196 4.144 4.340 0.001 0.000 0.210 352 L C 2.207 179.022 176.870 -0.091 0.000 1.081 352 L CA 1.348 56.123 54.840 -0.109 0.000 0.752 352 L CB -0.329 41.686 42.059 -0.074 0.000 0.896 352 L HN 0.424 nan 8.230 nan 0.000 0.433 353 L N -0.949 120.201 121.223 -0.121 0.000 2.072 353 L HA -0.176 4.165 4.340 0.001 0.000 0.205 353 L C 2.445 179.259 176.870 -0.094 0.000 1.079 353 L CA 0.978 55.769 54.840 -0.083 0.000 0.752 353 L CB -0.048 41.975 42.059 -0.059 0.000 0.906 353 L HN 0.089 nan 8.230 nan 0.000 0.436 354 V N -0.332 119.468 119.914 -0.189 0.000 2.407 354 V HA -0.276 3.844 4.120 0.001 0.000 0.248 354 V C 2.563 178.627 176.094 -0.051 0.000 1.055 354 V CA 1.416 63.634 62.300 -0.136 0.000 1.049 354 V CB -0.703 30.982 31.823 -0.231 0.000 0.662 354 V HN 0.504 nan 8.190 nan 0.000 0.455 355 Q N -0.199 119.569 119.800 -0.053 0.000 2.084 355 Q HA -0.090 4.250 4.340 0.001 0.000 0.202 355 Q C 2.282 178.299 176.000 0.027 0.000 0.978 355 Q CA 1.520 57.327 55.803 0.006 0.000 0.844 355 Q CB -0.430 28.320 28.738 0.021 0.000 0.898 355 Q HN 0.558 nan 8.270 nan 0.000 0.426 356 L N 0.473 121.705 121.223 0.015 0.000 2.109 356 L HA -0.141 4.199 4.340 0.001 0.000 0.207 356 L C 2.513 179.410 176.870 0.044 0.000 1.086 356 L CA 0.947 55.807 54.840 0.033 0.000 0.760 356 L CB -0.296 41.776 42.059 0.022 0.000 0.910 356 L HN 0.297 nan 8.230 nan 0.000 0.437 357 E N -0.029 120.192 120.200 0.035 0.000 2.031 357 E HA -0.207 4.144 4.350 0.001 0.000 0.193 357 E C 2.224 178.866 176.600 0.070 0.000 0.994 357 E CA 1.580 58.014 56.400 0.057 0.000 0.800 357 E CB 0.115 29.851 29.700 0.060 0.000 0.752 357 E HN 0.343 nan 8.360 nan 0.000 0.447 358 S N 0.606 116.339 115.700 0.056 0.000 2.374 358 S HA -0.183 4.288 4.470 0.001 0.000 0.227 358 S C 1.962 176.596 174.600 0.057 0.000 1.037 358 S CA 1.298 59.523 58.200 0.041 0.000 1.024 358 S CB -0.267 62.947 63.200 0.024 0.000 0.861 358 S HN 0.284 nan 8.310 nan 0.000 0.456 359 I N 1.531 122.145 120.570 0.075 0.000 2.163 359 I HA -0.206 3.965 4.170 0.001 0.000 0.240 359 I C 2.713 178.900 176.117 0.116 0.000 1.081 359 I CA 1.170 62.530 61.300 0.101 0.000 1.353 359 I CB -0.541 37.522 38.000 0.105 0.000 1.054 359 I HN 0.264 nan 8.210 nan 0.000 0.407 360 A N 0.949 123.832 122.820 0.105 0.000 1.908 360 A HA -0.190 4.131 4.320 0.001 0.000 0.218 360 A C 2.321 179.982 177.584 0.128 0.000 1.181 360 A CA 1.636 53.739 52.037 0.110 0.000 0.627 360 A CB -0.928 18.127 19.000 0.090 0.000 0.818 360 A HN 0.394 nan 8.150 nan 0.000 0.445 361 I N -0.504 120.142 120.570 0.127 0.000 2.226 361 I HA -0.232 3.939 4.170 0.001 0.000 0.245 361 I C 2.597 178.832 176.117 0.197 0.000 1.100 361 I CA 1.766 63.165 61.300 0.164 0.000 1.374 361 I CB -0.524 37.563 38.000 0.146 0.000 1.057 361 I HN 0.275 nan 8.210 nan 0.000 0.413 362 T N 1.057 115.693 114.554 0.137 0.000 2.708 362 T HA -0.114 4.237 4.350 0.001 0.000 0.266 362 T C 1.942 176.782 174.700 0.233 0.000 1.037 362 T CA 1.325 63.511 62.100 0.145 0.000 1.146 362 T CB -0.260 68.662 68.868 0.090 0.000 0.865 362 T HN 0.219 nan 8.240 nan 0.000 0.435 363 I N 0.914 121.611 120.570 0.212 0.000 2.163 363 I HA -0.187 3.984 4.170 0.001 0.000 0.243 363 I C 2.463 178.701 176.117 0.202 0.000 1.085 363 I CA 1.174 62.606 61.300 0.220 0.000 1.347 363 I CB -0.428 37.688 38.000 0.193 0.000 1.044 363 I HN 0.105 nan 8.210 nan 0.000 0.408 364 V N -0.132 119.887 119.914 0.175 0.000 2.358 364 V HA -0.264 3.857 4.120 0.001 0.000 0.246 364 V C 2.084 178.274 176.094 0.160 0.000 1.047 364 V CA 1.536 63.913 62.300 0.128 0.000 1.035 364 V CB -0.713 31.162 31.823 0.087 0.000 0.658 364 V HN 0.596 nan 8.190 nan 0.000 0.452 365 W N 0.807 122.137 121.300 0.051 0.000 2.354 365 W HA -0.214 4.447 4.660 0.001 0.000 0.315 365 W C 2.905 179.472 176.519 0.080 0.000 1.206 365 W CA 2.385 59.746 57.345 0.026 0.000 1.290 365 W CB -0.589 28.856 29.460 -0.025 0.000 1.152 365 W HN 0.363 nan 8.180 nan 0.000 0.489 366 S N 0.137 116.132 115.700 0.491 0.000 2.368 366 S HA -0.082 4.389 4.470 0.001 0.000 0.224 366 S C 2.064 176.979 174.600 0.525 0.000 1.029 366 S CA 2.002 60.545 58.200 0.572 0.000 0.988 366 S CB -0.897 62.670 63.200 0.611 0.000 0.838 366 S HN 0.273 nan 8.310 nan 0.000 0.462 367 G N 0.888 109.895 108.800 0.346 0.000 2.421 367 G HA2 -0.145 3.816 3.960 0.001 0.000 0.216 367 G HA3 -0.145 3.816 3.960 0.001 0.000 0.216 367 G C 1.492 176.544 174.900 0.253 0.000 1.171 367 G CA 1.163 46.421 45.100 0.263 0.000 0.775 367 G HN 0.470 nan 8.290 nan 0.000 0.543 368 V N 0.473 120.481 119.914 0.157 0.000 2.307 368 V HA -0.157 3.964 4.120 0.001 0.000 0.245 368 V C 3.044 179.259 176.094 0.203 0.000 1.045 368 V CA 1.513 63.880 62.300 0.112 0.000 1.024 368 V CB -0.368 31.425 31.823 -0.050 0.000 0.651 368 V HN 0.247 nan 8.190 nan 0.000 0.449 369 V N 0.324 120.342 119.914 0.174 0.000 2.427 369 V HA -0.216 3.905 4.120 0.001 0.000 0.248 369 V C 2.689 179.015 176.094 0.386 0.000 1.051 369 V CA 1.868 64.289 62.300 0.202 0.000 1.048 369 V CB -1.124 30.770 31.823 0.118 0.000 0.666 369 V HN 0.547 nan 8.190 nan 0.000 0.456 370 A N -0.316 122.843 122.820 0.565 0.000 1.902 370 A HA -0.234 4.086 4.320 0.001 0.000 0.217 370 A C 2.115 179.973 177.584 0.456 0.000 1.181 370 A CA 1.941 54.320 52.037 0.569 0.000 0.623 370 A CB -0.730 18.575 19.000 0.507 0.000 0.818 370 A HN 0.518 nan 8.150 nan 0.000 0.443 371 F N 0.591 120.734 119.950 0.322 0.000 2.126 371 F HA -0.171 4.356 4.527 0.001 0.000 0.299 371 F C 1.935 177.867 175.800 0.220 0.000 1.096 371 F CA 1.665 59.830 58.000 0.276 0.000 1.255 371 F CB -0.195 38.902 39.000 0.162 0.000 0.997 371 F HN 0.193 nan 8.300 nan 0.000 0.479 372 I N -0.076 120.632 120.570 0.230 0.000 2.142 372 I HA -0.245 3.926 4.170 0.001 0.000 0.240 372 I C 2.776 178.931 176.117 0.063 0.000 1.078 372 I CA 1.493 62.848 61.300 0.091 0.000 1.343 372 I CB -1.308 36.758 38.000 0.110 0.000 1.046 372 I HN 0.291 nan 8.210 nan 0.000 0.405 373 G N 0.020 108.902 108.800 0.138 0.000 2.459 373 G HA2 -0.282 3.679 3.960 0.001 0.000 0.217 373 G HA3 -0.282 3.679 3.960 0.001 0.000 0.217 373 G C 1.452 176.490 174.900 0.230 0.000 1.183 373 G CA 0.765 45.966 45.100 0.169 0.000 0.776 373 G HN 0.254 nan 8.290 nan 0.000 0.552 374 Y N 1.115 121.584 120.300 0.282 0.000 2.207 374 Y HA -0.042 4.509 4.550 0.003 0.000 0.287 374 Y C 2.836 178.692 175.900 -0.074 0.000 1.156 374 Y CA 1.151 59.254 58.100 0.006 0.000 1.182 374 Y CB -0.122 38.250 38.460 -0.146 0.000 0.979 374 Y HN 0.020 nan 8.280 nan 0.000 0.521 375 K N -0.006 120.388 120.400 -0.010 0.000 2.025 375 K HA -0.135 4.185 4.320 0.001 0.000 0.207 375 K C 2.184 178.766 176.600 -0.031 0.000 1.049 375 K CA 0.637 56.857 56.287 -0.112 0.000 0.933 375 K CB -0.983 31.357 32.500 -0.267 0.000 0.714 375 K HN 0.272 nan 8.250 nan 0.000 0.438 376 L N 1.024 122.248 121.223 0.001 0.000 2.013 376 L HA -0.202 4.139 4.340 0.001 0.000 0.212 376 L C 2.168 179.058 176.870 0.032 0.000 1.073 376 L CA 2.111 56.962 54.840 0.017 0.000 0.753 376 L CB -0.927 41.150 42.059 0.029 0.000 0.890 376 L HN 0.101 nan 8.230 nan 0.000 0.432 377 A N -0.518 122.341 122.820 0.065 0.000 1.873 377 A HA -0.278 4.043 4.320 0.001 0.000 0.215 377 A C 2.004 179.611 177.584 0.039 0.000 1.186 377 A CA 1.749 53.826 52.037 0.067 0.000 0.616 377 A CB -0.812 18.258 19.000 0.116 0.000 0.823 377 A HN 0.512 nan 8.150 nan 0.000 0.442 378 D N -0.615 119.804 120.400 0.030 0.000 2.133 378 D HA -0.157 4.484 4.640 0.001 0.000 0.195 378 D C 1.752 178.050 176.300 -0.003 0.000 0.997 378 D CA 1.277 55.279 54.000 0.002 0.000 0.840 378 D CB -0.168 40.620 40.800 -0.020 0.000 0.947 378 D HN 0.296 nan 8.370 nan 0.000 0.452 379 L N -0.201 121.019 121.223 -0.004 0.000 2.027 379 L HA -0.112 4.229 4.340 0.001 0.000 0.206 379 L C 2.592 179.462 176.870 0.002 0.000 1.074 379 L CA 2.071 56.907 54.840 -0.005 0.000 0.745 379 L CB -0.688 41.366 42.059 -0.008 0.000 0.898 379 L HN 0.266 nan 8.230 nan 0.000 0.433 380 T N -4.091 110.468 114.554 0.008 0.000 2.894 380 T HA -0.051 4.300 4.350 0.001 0.000 0.258 380 T C 1.294 176.001 174.700 0.012 0.000 1.043 380 T CA 1.231 63.337 62.100 0.010 0.000 1.141 380 T CB -0.314 68.563 68.868 0.014 0.000 0.873 380 T HN 0.218 nan 8.240 nan 0.000 0.449 381 V N -3.014 116.908 119.914 0.015 0.000 3.451 381 V HA 0.689 4.810 4.120 0.001 0.000 0.288 381 V C 0.841 176.942 176.094 0.012 0.000 1.502 381 V CA -0.096 62.214 62.300 0.015 0.000 1.026 381 V CB -0.507 31.328 31.823 0.021 0.000 0.840 381 V HN 0.955 nan 8.190 nan 0.000 0.437 382 G N 0.581 109.385 108.800 0.008 0.000 2.999 382 G HA2 -0.143 3.818 3.960 0.001 0.000 0.686 382 G HA3 -0.143 3.818 3.960 0.001 0.000 0.686 382 G C -0.227 174.673 174.900 0.000 0.000 1.057 382 G CA 0.025 45.124 45.100 -0.001 0.000 0.784 382 G HN 0.341 nan 8.290 nan 0.000 0.575 383 L N 1.278 122.493 121.223 -0.014 0.000 2.084 383 L HA 0.220 4.561 4.340 0.001 0.000 0.202 383 L C 2.104 178.954 176.870 -0.034 0.000 1.074 383 L CA 0.916 55.742 54.840 -0.025 0.000 0.757 383 L CB -0.041 41.983 42.059 -0.060 0.000 0.918 383 L HN 0.630 nan 8.230 nan 0.000 0.444 384 R N 0.477 120.951 120.500 -0.044 0.000 2.428 384 R HA 0.343 4.684 4.340 0.001 0.000 0.294 384 R C -0.734 175.552 176.300 -0.025 0.000 1.000 384 R CA -0.484 55.591 56.100 -0.043 0.000 0.960 384 R CB 1.552 31.815 30.300 -0.061 0.000 1.076 384 R HN -0.021 nan 8.270 nan 0.000 0.475 385 V N 2.144 122.048 119.914 -0.018 0.000 2.881 385 V HA 0.409 4.530 4.120 0.001 0.000 0.303 385 V C -2.096 173.990 176.094 -0.014 0.000 1.070 385 V CA -1.712 60.581 62.300 -0.012 0.000 1.074 385 V CB 0.571 32.390 31.823 -0.007 0.000 1.012 385 V HN 0.726 nan 8.190 nan 0.000 0.482 386 P HA 0.056 nan 4.420 nan 0.000 0.267 386 P C 0.512 177.807 177.300 -0.009 0.000 1.201 386 P CA 0.400 63.493 63.100 -0.012 0.000 0.775 386 P CB 0.514 32.207 31.700 -0.010 0.000 0.854 387 E N 1.224 121.419 120.200 -0.007 0.000 2.097 387 E HA -0.276 4.075 4.350 0.001 0.000 0.196 387 E C 1.773 178.373 176.600 0.000 0.000 1.000 387 E CA 1.768 58.168 56.400 -0.001 0.000 0.804 387 E CB -0.736 28.964 29.700 0.000 0.000 0.740 387 E HN 0.606 nan 8.360 nan 0.000 0.454 388 E N 0.517 120.715 120.200 -0.004 0.000 2.077 388 E HA -0.229 4.122 4.350 0.001 0.000 0.193 388 E C 2.129 178.725 176.600 -0.007 0.000 0.989 388 E CA 1.284 57.681 56.400 -0.005 0.000 0.800 388 E CB -0.024 29.672 29.700 -0.007 0.000 0.746 388 E HN 0.482 nan 8.360 nan 0.000 0.452 389 Q N -0.171 119.624 119.800 -0.008 0.000 2.369 389 Q HA -0.124 4.217 4.340 0.001 0.000 0.206 389 Q C 1.806 177.802 176.000 -0.006 0.000 0.963 389 Q CA 0.682 56.478 55.803 -0.011 0.000 0.894 389 Q CB 0.128 28.857 28.738 -0.015 0.000 0.965 389 Q HN 0.358 nan 8.270 nan 0.000 0.475 390 E N 1.053 121.253 120.200 0.000 0.000 2.122 390 E HA -0.076 4.274 4.350 0.001 0.000 0.190 390 E C 1.847 178.454 176.600 0.012 0.000 0.977 390 E CA 0.216 56.622 56.400 0.010 0.000 0.820 390 E CB 0.299 30.009 29.700 0.016 0.000 0.770 390 E HN 0.176 nan 8.360 nan 0.000 0.462 391 R N 0.216 120.719 120.500 0.005 0.000 2.090 391 R HA -0.044 4.296 4.340 0.001 0.000 0.228 391 R C 1.937 178.228 176.300 -0.015 0.000 1.110 391 R CA 1.171 57.268 56.100 -0.004 0.000 0.973 391 R CB 0.189 30.486 30.300 -0.005 0.000 0.869 391 R HN 0.105 nan 8.270 nan 0.000 0.440 392 E N -0.332 119.860 120.200 -0.013 0.000 2.371 392 E HA 0.095 4.446 4.350 0.001 0.000 0.194 392 E C 0.658 177.248 176.600 -0.018 0.000 1.012 392 E CA 0.748 57.138 56.400 -0.017 0.000 0.860 392 E CB 0.389 30.079 29.700 -0.015 0.000 0.811 392 E HN 0.388 nan 8.360 nan 0.000 0.502 393 G N 0.863 109.656 108.800 -0.013 0.000 2.784 393 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 393 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 393 G C 0.268 175.163 174.900 -0.008 0.000 1.156 393 G CA -0.363 44.731 45.100 -0.011 0.000 0.757 393 G HN 0.109 nan 8.290 nan 0.000 0.642 394 L N 0.570 121.797 121.223 0.006 0.000 2.376 394 L HA 0.063 4.404 4.340 0.001 0.000 0.219 394 L C 2.230 179.125 176.870 0.041 0.000 1.133 394 L CA 0.975 55.823 54.840 0.014 0.000 0.816 394 L CB -0.332 41.755 42.059 0.047 0.000 0.933 394 L HN 0.546 nan 8.230 nan 0.000 0.449 395 D N 0.026 120.450 120.400 0.040 0.000 2.117 395 D HA -0.159 4.481 4.640 0.001 0.000 0.198 395 D C 2.217 178.530 176.300 0.021 0.000 0.982 395 D CA 1.064 55.094 54.000 0.049 0.000 0.828 395 D CB -0.033 40.749 40.800 -0.029 0.000 0.967 395 D HN 0.122 nan 8.370 nan 0.000 0.464 396 V N 1.585 121.492 119.914 -0.012 0.000 2.331 396 V HA -0.136 3.985 4.120 0.001 0.000 0.242 396 V C 1.046 177.117 176.094 -0.039 0.000 1.034 396 V CA 1.667 63.953 62.300 -0.024 0.000 1.027 396 V CB -0.319 31.489 31.823 -0.024 0.000 0.667 396 V HN 0.182 nan 8.190 nan 0.000 0.457 397 N N -0.958 117.714 118.700 -0.047 0.000 2.398 397 N HA 0.030 4.771 4.740 0.001 0.000 0.188 397 N C 1.286 176.730 175.510 -0.110 0.000 1.122 397 N CA 0.986 53.999 53.050 -0.061 0.000 0.866 397 N CB 0.498 38.960 38.487 -0.042 0.000 0.970 397 N HN 0.328 nan 8.380 nan 0.000 0.462 398 S N -1.052 114.537 115.700 -0.186 0.000 2.613 398 S HA 0.141 4.612 4.470 0.001 0.000 0.235 398 S C 0.601 174.795 174.600 -0.677 0.000 1.073 398 S CA -0.203 57.752 58.200 -0.408 0.000 0.899 398 S CB 0.112 63.019 63.200 -0.488 0.000 0.818 398 S HN 0.441 nan 8.310 nan 0.000 0.484 399 H N -0.048 118.942 119.070 -0.134 0.000 3.058 399 H HA 0.302 4.859 4.556 0.001 0.000 0.266 399 H C 1.281 176.542 175.328 -0.111 0.000 1.135 399 H CA 0.473 56.420 56.048 -0.167 0.000 1.174 399 H CB 0.285 29.921 29.762 -0.210 0.000 1.581 399 H HN 0.424 nan 8.280 nan 0.000 0.553 400 G N 2.186 110.974 108.800 -0.019 0.000 2.390 400 G HA2 -0.287 3.674 3.960 0.001 0.000 0.299 400 G HA3 -0.287 3.674 3.960 0.001 0.000 0.299 400 G C -0.253 174.638 174.900 -0.014 0.000 1.002 400 G CA 0.752 45.840 45.100 -0.021 0.000 0.979 400 G HN 0.515 nan 8.290 nan 0.000 0.513 401 E N -1.176 119.016 120.200 -0.013 0.000 2.390 401 E HA 0.406 4.757 4.350 0.001 0.000 0.277 401 E C -0.760 175.809 176.600 -0.051 0.000 0.939 401 E CA -1.083 55.297 56.400 -0.034 0.000 0.769 401 E CB 1.381 31.055 29.700 -0.045 0.000 1.251 401 E HN 0.137 nan 8.360 nan 0.000 0.450 402 N N 0.050 118.713 118.700 -0.063 0.000 2.399 402 N HA 0.402 5.142 4.740 0.001 0.000 0.295 402 N C 0.100 175.524 175.510 -0.144 0.000 1.048 402 N CA 0.022 53.024 53.050 -0.080 0.000 0.886 402 N CB 1.659 40.120 38.487 -0.043 0.000 1.185 402 N HN 0.548 nan 8.380 nan 0.000 0.487 403 A N 2.627 125.300 122.820 -0.244 0.000 1.872 403 A HA 0.017 4.337 4.320 0.001 0.000 0.214 403 A C -0.341 176.864 177.584 -0.631 0.000 1.187 403 A CA 1.287 53.010 52.037 -0.522 0.000 0.614 403 A CB -0.397 18.125 19.000 -0.796 0.000 0.826 403 A HN 0.688 nan 8.150 nan 0.000 0.442 404 Y N 0.458 120.752 120.300 -0.009 0.000 2.326 404 Y HA 0.470 5.021 4.550 0.001 0.000 0.329 404 Y C -0.379 175.520 175.900 -0.002 0.000 0.973 404 Y CA -1.452 56.649 58.100 0.002 0.000 1.162 404 Y CB 1.132 39.599 38.460 0.013 0.000 1.147 404 Y HN 0.183 nan 8.280 nan 0.000 0.456 405 N N 1.141 119.915 118.700 0.123 0.000 2.381 405 N HA 0.669 5.410 4.740 0.001 0.000 0.294 405 N C -0.050 175.498 175.510 0.063 0.000 1.216 405 N CA -0.787 52.305 53.050 0.069 0.000 0.803 405 N CB 1.945 40.451 38.487 0.032 0.000 1.372 405 N HN 0.746 nan 8.380 nan 0.000 0.500 406 A N 0.000 122.845 122.820 0.041 0.000 2.254 406 A HA 0.000 4.321 4.320 0.001 0.000 0.244 406 A CA 0.000 52.055 52.037 0.030 0.000 0.836 406 A CB 0.000 19.012 19.000 0.020 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486