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 1o7j_1_B DATA FIRST_RESID 3 DATA SEQUENCE KLPNIVILAT GGTIAGSAAT GTQTTGYKAG ALGVDTLINA VPEVKKLANV DATA SEQUENCE KGEQFSNMAS ENMTGDVVLK LSQRVNELLA RDDVDGVVIT HGTDTVEESA DATA SEQUENCE YFLHLTVKSD KPVVFVAAMR PATAISADGP MNLLEAVRVA GDKQSRGRGV DATA SEQUENCE MVVINDRIGS ARYITKTNAS TLDTFRANEE GYLGVIIGNR IYYQNRIDKL DATA SEQUENCE HTTRSVFDVR GLTSLPKVDI LYGYQDDPEY LYDAAIQHGV KGIVYAGMGA DATA SEQUENCE GSVSVRGIAG MRKALEKGVV VMRSTRTGNG IVPPDEELPG LVSDSLNPAH DATA SEQUENCE ARILLMLALT RTSDPKVIQE YFHTY 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 3 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 3 K C 0.000 176.598 176.600 -0.003 0.000 0.988 3 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 3 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 4 L N 2.826 124.046 121.223 -0.004 0.000 2.417 4 L HA 0.178 4.515 4.340 -0.005 0.000 0.268 4 L C -1.906 174.962 176.870 -0.004 0.000 1.158 4 L CA -1.855 52.982 54.840 -0.004 0.000 0.819 4 L CB 0.230 42.286 42.059 -0.005 0.000 1.112 4 L HN -0.052 8.176 8.230 -0.004 0.000 0.458 5 P HA 0.147 4.684 4.420 -0.003 -0.120 0.271 5 P C -1.594 175.702 177.300 -0.006 0.000 1.218 5 P CA -0.911 62.186 63.100 -0.004 0.000 0.780 5 P CB 1.077 32.776 31.700 -0.003 0.000 0.901 6 N N 1.892 120.588 118.700 -0.006 0.000 2.420 6 N HA 0.379 5.285 4.740 -0.007 -0.170 0.249 6 N C -1.118 174.386 175.510 -0.010 0.000 1.033 6 N CA -0.377 52.668 53.050 -0.007 0.000 0.944 6 N CB 1.184 39.667 38.487 -0.006 0.000 1.113 6 N HN 0.191 8.932 8.380 -0.005 -0.364 0.502 7 I N 4.994 125.557 120.570 -0.012 0.000 2.436 7 I HA 0.491 4.840 4.170 -0.019 -0.190 0.289 7 I C -1.344 174.760 176.117 -0.021 0.000 1.010 7 I CA -2.504 58.785 61.300 -0.018 0.000 1.098 7 I CB 2.066 40.055 38.000 -0.019 0.000 1.266 7 I HN 0.488 8.691 8.210 -0.011 0.000 0.434 8 V N 7.360 127.257 119.914 -0.027 0.000 2.465 8 V HA 0.278 4.550 4.120 -0.021 -0.165 0.279 8 V C -0.749 175.320 176.094 -0.042 0.000 1.045 8 V CA -1.284 60.999 62.300 -0.028 0.000 0.938 8 V CB 0.555 32.362 31.823 -0.026 0.000 0.986 8 V HN -0.084 8.089 8.190 -0.029 0.000 0.467 9 I N 7.491 128.040 120.570 -0.034 0.000 2.306 9 I HA 0.235 4.567 4.170 -0.060 -0.198 0.288 9 I C -1.624 174.472 176.117 -0.036 0.000 1.036 9 I CA -0.945 60.330 61.300 -0.042 0.000 1.221 9 I CB 0.577 38.560 38.000 -0.029 0.000 1.385 9 I HN 0.399 8.594 8.210 -0.024 0.000 0.472 10 L N 9.197 130.381 121.223 -0.065 0.000 2.264 10 L HA 0.629 5.139 4.340 -0.005 -0.174 0.287 10 L C -2.318 174.529 176.870 -0.039 0.000 1.039 10 L CA -1.823 52.986 54.840 -0.051 0.000 0.829 10 L CB 2.139 44.129 42.059 -0.116 0.000 1.211 10 L HN 0.496 8.668 8.230 -0.095 0.000 0.427 11 A N 6.766 129.606 122.820 0.034 0.000 2.290 11 A HA 0.979 5.314 4.320 0.024 0.000 0.310 11 A C -0.446 177.207 177.584 0.116 0.000 1.202 11 A CA -1.775 50.291 52.037 0.049 0.000 0.837 11 A CB 2.762 21.787 19.000 0.042 0.000 1.139 11 A HN 0.688 8.872 8.150 0.056 0.000 0.509 12 T N -1.792 112.821 114.554 0.097 0.000 2.975 12 T HA 0.322 4.900 4.350 0.242 -0.082 0.257 12 T C 0.374 175.104 174.700 0.050 0.000 1.003 12 T CA -1.408 60.774 62.100 0.137 0.000 0.932 12 T CB 2.335 71.271 68.868 0.114 0.000 1.087 12 T HN 0.114 8.395 8.240 0.068 0.000 0.512 13 G N 1.500 110.316 108.800 0.027 0.000 2.301 13 G HA2 -0.225 3.998 3.960 -0.005 0.000 0.194 13 G HA3 -0.225 3.981 3.960 0.023 -0.232 0.194 13 G C -1.746 173.161 174.900 0.013 0.000 1.266 13 G CA -0.586 44.520 45.100 0.010 0.000 1.210 13 G HN -0.666 7.648 8.290 0.040 0.000 0.524 14 G N -0.625 108.183 108.800 0.013 0.000 2.746 14 G HA2 -0.291 3.763 3.960 0.058 0.000 0.685 14 G HA3 -0.291 3.700 3.960 0.051 0.000 0.685 14 G C 0.910 175.863 174.900 0.089 0.000 1.350 14 G CA -0.391 44.740 45.100 0.052 0.000 0.837 14 G HN -0.285 8.008 8.290 0.005 0.000 0.564 15 T N 1.735 116.368 114.554 0.132 0.000 2.803 15 T HA -0.371 4.089 4.350 0.183 0.000 0.269 15 T C 2.233 176.943 174.700 0.017 0.000 1.052 15 T CA 4.342 66.517 62.100 0.124 0.000 1.136 15 T CB -0.242 68.730 68.868 0.174 0.000 0.864 15 T HN 0.403 8.729 8.240 0.143 0.000 0.467 16 I N -0.237 120.355 120.570 0.037 0.000 2.399 16 I HA -0.342 3.824 4.170 -0.006 0.000 0.254 16 I C 0.095 176.213 176.117 0.002 0.000 1.146 16 I CA 2.407 63.715 61.300 0.013 0.000 1.412 16 I CB -0.052 37.968 38.000 0.034 0.000 1.076 16 I HN 0.038 8.268 8.210 0.064 0.019 0.432 17 A N -3.108 119.723 122.820 0.017 0.000 2.500 17 A HA 0.174 4.498 4.320 0.006 0.000 0.267 17 A C -1.000 176.597 177.584 0.022 0.000 1.290 17 A CA -1.347 50.699 52.037 0.016 0.000 0.928 17 A CB 0.808 19.823 19.000 0.025 0.000 1.066 17 A HN -0.571 7.461 8.150 0.032 0.138 0.516 18 G N -2.244 106.562 108.800 0.010 0.000 2.400 18 G HA2 0.410 4.424 3.960 0.073 0.000 0.301 18 G HA3 0.410 4.537 3.960 0.082 -0.118 0.301 18 G C -2.680 172.209 174.900 -0.018 0.000 1.154 18 G CA -1.206 43.919 45.100 0.041 0.000 0.852 18 G HN -0.331 7.769 8.290 -0.013 0.182 0.511 19 S N 1.283 117.005 115.700 0.036 0.000 2.532 19 S HA 0.428 4.884 4.470 -0.022 0.000 0.299 19 S C -1.133 173.506 174.600 0.065 0.000 1.105 19 S CA -1.552 56.657 58.200 0.016 0.000 1.018 19 S CB 1.761 64.972 63.200 0.018 0.000 1.021 19 S HN -0.372 7.986 8.310 0.080 0.000 0.483 20 A N 6.713 129.560 122.820 0.045 0.000 2.344 20 A HA 0.441 4.832 4.320 0.118 0.000 0.307 20 A C -1.165 176.447 177.584 0.047 0.000 1.151 20 A CA -1.577 50.513 52.037 0.089 0.000 0.842 20 A CB 1.557 20.634 19.000 0.129 0.000 1.350 20 A HN 0.122 8.272 8.150 0.001 0.000 0.459 21 A N -2.449 120.400 122.820 0.048 0.000 2.072 21 A HA -0.064 4.271 4.320 0.025 0.000 0.216 21 A C -0.681 176.917 177.584 0.022 0.000 1.156 21 A CA 1.929 53.984 52.037 0.030 0.000 0.701 21 A CB 0.100 19.117 19.000 0.028 0.000 0.816 21 A HN 0.339 8.634 8.150 0.061 -0.108 0.458 22 T N -6.948 107.621 114.554 0.025 0.000 2.883 22 T HA 0.111 4.467 4.350 0.011 0.000 0.296 22 T C 0.875 175.580 174.700 0.009 0.000 1.117 22 T CA -2.564 59.545 62.100 0.015 0.000 1.006 22 T CB 2.486 71.364 68.868 0.017 0.000 1.191 22 T HN -0.928 7.401 8.240 0.035 -0.068 0.508 23 G N -0.973 107.828 108.800 0.002 0.000 2.679 23 G HA2 -0.056 3.900 3.960 -0.008 0.000 0.212 23 G HA3 -0.056 4.081 3.960 -0.015 -0.185 0.212 23 G C 0.538 175.436 174.900 -0.003 0.000 1.137 23 G CA 1.489 46.585 45.100 -0.007 0.000 0.787 23 G HN 0.447 8.738 8.290 0.003 0.000 0.534 24 T N -1.284 113.275 114.554 0.009 0.000 3.057 24 T HA -0.098 4.259 4.350 0.010 0.000 0.254 24 T C 0.120 174.839 174.700 0.031 0.000 1.094 24 T CA 0.898 63.007 62.100 0.015 0.000 1.088 24 T CB 0.545 69.422 68.868 0.015 0.000 0.934 24 T HN -0.672 7.505 8.240 0.011 0.070 0.497 25 Q N 3.178 123.004 119.800 0.043 0.000 2.262 25 Q HA -0.135 4.258 4.340 0.087 0.000 0.272 25 Q C -0.127 175.936 176.000 0.106 0.000 1.076 25 Q CA 0.696 56.552 55.803 0.088 0.000 0.905 25 Q CB -0.514 28.290 28.738 0.109 0.000 1.182 25 Q HN -0.616 7.675 8.270 0.035 0.000 0.390 26 T N -1.672 112.968 114.554 0.144 0.000 3.016 26 T HA 0.242 4.644 4.350 0.086 0.000 0.271 26 T C -0.320 174.590 174.700 0.351 0.000 0.968 26 T CA -0.586 61.612 62.100 0.164 0.000 0.891 26 T CB 1.199 70.113 68.868 0.076 0.000 1.149 26 T HN -0.124 8.194 8.240 0.129 0.000 0.524 27 T N -3.327 111.388 114.554 0.268 0.000 3.816 27 T HA 0.214 4.630 4.350 0.111 0.000 0.232 27 T C 0.187 174.889 174.700 0.003 0.000 1.125 27 T CA -0.425 61.745 62.100 0.116 0.000 1.609 27 T CB 0.163 69.063 68.868 0.054 0.000 0.805 27 T HN -0.787 7.588 8.240 0.225 0.000 0.647 28 G N 0.059 108.814 108.800 -0.076 0.000 4.665 28 G HA2 -0.039 3.888 3.960 -0.055 0.000 0.219 28 G HA3 -0.039 3.797 3.960 -0.207 0.000 0.219 28 G C -0.763 174.042 174.900 -0.158 0.000 0.664 28 G CA -0.297 44.716 45.100 -0.146 0.000 0.907 28 G HN 0.135 8.412 8.290 -0.022 0.000 0.689 29 Y N -0.659 119.642 120.300 0.003 0.000 2.330 29 Y HA 0.022 4.573 4.550 0.002 0.000 0.387 29 Y C -1.030 174.872 175.900 0.003 0.000 1.365 29 Y CA -1.828 56.274 58.100 0.003 0.000 1.828 29 Y CB 1.027 39.491 38.460 0.006 0.000 1.696 29 Y HN -0.766 7.337 8.280 -0.296 0.000 0.616 30 K N 0.099 120.674 120.400 0.290 0.000 2.483 30 K HA 0.248 4.582 4.320 0.024 0.000 0.256 30 K C -1.559 175.185 176.600 0.240 0.000 0.961 30 K CA -1.049 55.327 56.287 0.148 0.000 0.873 30 K CB 0.453 33.004 32.500 0.085 0.000 1.107 30 K HN -0.089 8.397 8.250 0.393 0.000 0.432 31 A N 3.699 126.633 122.820 0.190 0.000 2.450 31 A HA -0.190 4.276 4.320 0.243 0.000 0.255 31 A C 0.295 177.933 177.584 0.091 0.000 1.096 31 A CA 0.742 52.889 52.037 0.184 0.000 0.778 31 A CB 0.031 19.127 19.000 0.160 0.000 1.031 31 A HN 0.584 8.789 8.150 0.092 0.000 0.494 32 G N 1.876 110.719 108.800 0.072 0.000 2.325 32 G HA2 -0.305 3.673 3.960 0.030 0.000 0.248 32 G HA3 -0.305 3.773 3.960 0.036 -0.097 0.248 32 G C -1.439 173.481 174.900 0.033 0.000 1.108 32 G CA 0.220 45.344 45.100 0.040 0.000 0.881 32 G HN -0.161 8.178 8.290 0.082 0.000 0.494 33 A N -0.733 122.109 122.820 0.037 0.000 2.026 33 A HA 0.211 4.546 4.320 0.025 0.000 0.198 33 A C -0.196 177.400 177.584 0.020 0.000 1.390 33 A CA 0.220 52.275 52.037 0.030 0.000 0.915 33 A CB 2.085 21.110 19.000 0.041 0.000 0.974 33 A HN -0.315 7.861 8.150 0.043 0.000 0.477 34 L N -0.162 121.072 121.223 0.018 0.000 2.375 34 L HA 0.027 4.373 4.340 0.010 0.000 0.271 34 L C 0.056 176.933 176.870 0.011 0.000 1.107 34 L CA -0.582 54.265 54.840 0.011 0.000 0.806 34 L CB 0.745 42.807 42.059 0.006 0.000 1.146 34 L HN -0.408 7.835 8.230 0.021 0.000 0.447 35 G N -0.516 108.289 108.800 0.008 0.000 2.537 35 G HA2 0.144 4.108 3.960 0.007 0.000 0.273 35 G HA3 0.144 4.238 3.960 0.011 -0.127 0.273 35 G C -0.246 174.659 174.900 0.008 0.000 1.189 35 G CA -1.281 43.825 45.100 0.009 0.000 0.881 35 G HN -0.293 8.001 8.290 0.006 0.000 0.535 36 V N 0.873 120.794 119.914 0.011 0.000 2.392 36 V HA -0.322 3.803 4.120 0.009 0.000 0.249 36 V C 0.884 176.980 176.094 0.004 0.000 1.059 36 V CA 2.905 65.210 62.300 0.009 0.000 1.051 36 V CB 0.112 31.943 31.823 0.012 0.000 0.658 36 V HN -0.074 8.397 8.190 0.013 -0.274 0.455 37 D N -2.724 117.678 120.400 0.003 0.000 2.219 37 D HA -0.205 4.434 4.640 -0.001 0.000 0.205 37 D C 2.054 178.353 176.300 -0.001 0.000 0.970 37 D CA 3.540 57.540 54.000 0.000 0.000 0.851 37 D CB -1.066 39.734 40.800 0.000 0.000 0.943 37 D HN 0.480 8.853 8.370 0.004 0.000 0.488 38 T N 3.214 117.768 114.554 0.000 0.000 2.788 38 T HA -0.278 4.071 4.350 -0.002 0.000 0.268 38 T C 1.759 176.458 174.700 -0.003 0.000 1.044 38 T CA 4.422 66.521 62.100 -0.001 0.000 1.139 38 T CB -0.202 68.666 68.868 -0.000 0.000 0.867 38 T HN -0.748 7.493 8.240 0.001 0.000 0.454 39 L N 0.329 121.551 121.223 -0.002 0.000 2.017 39 L HA -0.435 3.902 4.340 -0.005 0.000 0.208 39 L C 1.938 178.805 176.870 -0.005 0.000 1.073 39 L CA 3.130 57.968 54.840 -0.004 0.000 0.745 39 L CB -0.509 41.549 42.059 -0.001 0.000 0.894 39 L HN -0.797 7.433 8.230 0.000 0.000 0.432 40 I N -1.942 118.625 120.570 -0.005 0.000 2.179 40 I HA -0.518 3.647 4.170 -0.007 0.000 0.242 40 I C 2.453 178.566 176.117 -0.006 0.000 1.088 40 I CA 3.908 65.204 61.300 -0.006 0.000 1.357 40 I CB -0.194 37.802 38.000 -0.006 0.000 1.051 40 I HN -0.313 7.895 8.210 -0.003 0.000 0.409 41 N N -0.804 117.893 118.700 -0.005 0.000 2.459 41 N HA -0.157 4.580 4.740 -0.005 0.000 0.181 41 N C 0.686 176.193 175.510 -0.006 0.000 1.046 41 N CA 1.829 54.876 53.050 -0.005 0.000 0.904 41 N CB -0.503 37.982 38.487 -0.004 0.000 0.964 41 N HN -0.087 8.291 8.380 -0.004 0.000 0.444 42 A N -1.867 120.949 122.820 -0.007 0.000 2.119 42 A HA 0.002 4.317 4.320 -0.008 0.000 0.216 42 A C 0.045 177.624 177.584 -0.009 0.000 1.152 42 A CA 1.154 53.186 52.037 -0.008 0.000 0.708 42 A CB 0.861 19.855 19.000 -0.010 0.000 0.805 42 A HN -0.538 7.569 8.150 -0.006 0.039 0.460 43 V N -1.211 118.698 119.914 -0.008 0.000 2.502 43 V HA 0.644 4.759 4.120 -0.009 0.000 0.261 43 V C -2.186 173.903 176.094 -0.008 0.000 0.996 43 V CA -3.738 58.556 62.300 -0.009 0.000 1.095 43 V CB 1.243 33.060 31.823 -0.010 0.000 1.325 43 V HN -0.661 7.375 8.190 -0.008 0.149 0.574 44 P HA 0.211 4.725 4.420 -0.007 -0.098 0.230 44 P C 1.081 178.377 177.300 -0.007 0.000 1.158 44 P CA 1.322 64.417 63.100 -0.007 0.000 0.769 44 P CB 0.061 31.757 31.700 -0.006 0.000 0.807 45 E N -0.465 119.730 120.200 -0.008 0.000 2.219 45 E HA -0.254 4.092 4.350 -0.008 0.000 0.198 45 E C 2.308 178.902 176.600 -0.009 0.000 0.998 45 E CA 3.093 59.488 56.400 -0.008 0.000 0.818 45 E CB -0.971 28.724 29.700 -0.009 0.000 0.741 45 E HN 0.552 8.863 8.360 -0.008 0.045 0.477 46 V N -4.190 115.718 119.914 -0.010 0.000 2.469 46 V HA -0.410 3.703 4.120 -0.012 0.000 0.251 46 V C 0.805 176.893 176.094 -0.010 0.000 1.064 46 V CA 3.309 65.602 62.300 -0.011 0.000 1.066 46 V CB -1.063 30.753 31.823 -0.012 0.000 0.667 46 V HN -0.214 7.932 8.190 -0.010 0.039 0.461 47 K N -3.406 116.989 120.400 -0.008 0.000 2.362 47 K HA -0.122 4.347 4.320 -0.008 -0.154 0.200 47 K C 1.211 177.807 176.600 -0.007 0.000 1.046 47 K CA 2.003 58.286 56.287 -0.007 0.000 0.952 47 K CB -0.530 31.966 32.500 -0.006 0.000 0.753 47 K HN -0.615 7.599 8.250 -0.008 0.031 0.466 48 K N -3.238 117.157 120.400 -0.008 0.000 2.361 48 K HA -0.097 4.219 4.320 -0.007 0.000 0.196 48 K C 0.553 177.149 176.600 -0.008 0.000 1.039 48 K CA 1.354 57.637 56.287 -0.007 0.000 1.001 48 K CB 0.248 32.744 32.500 -0.007 0.000 0.795 48 K HN -0.628 7.575 8.250 -0.008 0.043 0.495 49 L N -4.040 117.177 121.223 -0.009 0.000 2.463 49 L HA 0.056 4.391 4.340 -0.010 0.000 0.219 49 L C -0.996 175.869 176.870 -0.009 0.000 1.088 49 L CA 0.517 55.352 54.840 -0.010 0.000 0.849 49 L CB 1.004 43.056 42.059 -0.012 0.000 1.012 49 L HN -0.676 7.392 8.230 -0.009 0.157 0.468 50 A N -5.226 117.589 122.820 -0.009 0.000 2.608 50 A HA 0.217 4.619 4.320 -0.007 -0.086 0.292 50 A C -2.719 174.860 177.584 -0.008 0.000 1.066 50 A CA -0.874 51.158 52.037 -0.008 0.000 0.676 50 A CB 2.726 21.720 19.000 -0.010 0.000 1.277 50 A HN -0.796 7.348 8.150 -0.009 0.000 0.413 51 N N 1.428 120.124 118.700 -0.007 0.000 2.402 51 N HA 0.220 4.956 4.740 -0.006 0.000 0.252 51 N C -1.207 174.298 175.510 -0.008 0.000 1.118 51 N CA -0.477 52.569 53.050 -0.007 0.000 0.945 51 N CB 0.321 38.804 38.487 -0.006 0.000 1.147 51 N HN -0.129 8.247 8.380 -0.007 0.000 0.495 52 V N -1.224 118.685 119.914 -0.008 0.000 2.532 52 V HA 0.954 5.299 4.120 -0.011 -0.232 0.295 52 V C -0.364 175.725 176.094 -0.008 0.000 1.041 52 V CA -2.812 59.482 62.300 -0.010 0.000 0.926 52 V CB 1.566 33.382 31.823 -0.011 0.000 0.992 52 V HN 0.003 8.188 8.190 -0.008 0.000 0.457 53 K N 5.145 125.540 120.400 -0.009 0.000 2.507 53 K HA 0.314 4.632 4.320 -0.004 0.000 0.252 53 K C -1.053 175.544 176.600 -0.006 0.000 0.943 53 K CA -1.011 55.273 56.287 -0.006 0.000 0.808 53 K CB 3.427 35.925 32.500 -0.004 0.000 1.142 53 K HN 0.115 8.359 8.250 -0.011 0.000 0.426 54 G N 3.702 112.501 108.800 -0.002 0.000 2.395 54 G HA2 0.264 4.225 3.960 0.002 0.000 0.283 54 G HA3 0.264 4.405 3.960 -0.002 -0.183 0.283 54 G C -1.575 173.331 174.900 0.009 0.000 1.178 54 G CA -0.526 44.575 45.100 0.001 0.000 0.837 54 G HN 0.373 8.662 8.290 -0.002 0.000 0.518 55 E N 4.104 124.314 120.200 0.017 0.000 2.241 55 E HA 0.241 4.608 4.350 0.028 0.000 0.263 55 E C -1.679 174.955 176.600 0.056 0.000 0.882 55 E CA -1.289 55.131 56.400 0.033 0.000 0.769 55 E CB 3.402 33.126 29.700 0.040 0.000 1.185 55 E HN 0.141 8.508 8.360 0.013 0.000 0.415 56 Q N 7.846 127.677 119.800 0.051 0.000 2.389 56 Q HA 0.021 4.405 4.340 0.073 0.000 0.244 56 Q C -0.879 175.174 176.000 0.089 0.000 1.056 56 Q CA 0.152 55.992 55.803 0.061 0.000 0.908 56 Q CB -0.267 28.485 28.738 0.024 0.000 1.273 56 Q HN 0.562 8.853 8.270 0.036 0.000 0.471 57 F N 9.009 128.949 119.950 -0.016 0.000 2.179 57 F HA -0.071 4.448 4.527 -0.014 0.000 0.292 57 F C -0.468 175.324 175.800 -0.014 0.000 1.089 57 F CA 1.108 59.099 58.000 -0.015 0.000 1.295 57 F CB 1.243 40.234 39.000 -0.016 0.000 1.041 57 F HN 0.299 8.751 8.300 0.254 0.000 0.487 58 S N -3.345 112.413 115.700 0.097 0.000 2.672 58 S HA 0.033 4.442 4.470 -0.103 0.000 0.271 58 S C -2.263 172.363 174.600 0.042 0.000 1.171 58 S CA -0.514 57.683 58.200 -0.004 0.000 0.817 58 S CB 2.387 65.609 63.200 0.038 0.000 1.150 58 S HN -0.531 7.920 8.310 0.235 0.000 0.478 59 N N -0.070 118.637 118.700 0.011 0.000 2.751 59 N HA 0.262 5.109 4.740 0.024 -0.093 0.234 59 N C -1.722 173.791 175.510 0.004 0.000 1.403 59 N CA 0.176 53.234 53.050 0.014 0.000 0.747 59 N CB 0.811 39.304 38.487 0.009 0.000 1.326 59 N HN 0.179 8.555 8.380 -0.008 0.000 0.532 60 M N -1.300 118.300 119.600 -0.001 0.000 2.593 60 M HA 0.480 4.958 4.480 -0.004 0.000 0.290 60 M C -2.300 173.988 176.300 -0.021 0.000 1.244 60 M CA -1.184 54.109 55.300 -0.010 0.000 0.857 60 M CB 4.146 36.738 32.600 -0.013 0.000 1.738 60 M HN -0.165 8.124 8.290 -0.001 0.000 0.461 61 A N -0.185 122.629 122.820 -0.010 0.000 2.425 61 A HA 0.076 4.401 4.320 0.008 0.000 0.249 61 A C 0.738 178.306 177.584 -0.026 0.000 1.084 61 A CA -0.692 51.343 52.037 -0.004 0.000 0.781 61 A CB 0.329 19.332 19.000 0.004 0.000 1.019 61 A HN 0.564 8.711 8.150 -0.005 0.000 0.490 62 S N 3.651 119.335 115.700 -0.025 0.000 2.515 62 S HA -0.275 4.129 4.470 -0.111 0.000 0.231 62 S C 1.338 175.954 174.600 0.027 0.000 0.987 62 S CA 2.522 60.698 58.200 -0.040 0.000 0.936 62 S CB -0.309 62.889 63.200 -0.003 0.000 0.766 62 S HN 0.513 8.825 8.310 0.003 0.000 0.528 63 E N 1.402 121.617 120.200 0.026 0.000 2.333 63 E HA -0.151 4.220 4.350 0.035 0.000 0.198 63 E C 0.405 177.014 176.600 0.015 0.000 1.007 63 E CA 2.011 58.424 56.400 0.023 0.000 0.845 63 E CB -1.367 28.338 29.700 0.007 0.000 0.766 63 E HN 0.411 8.752 8.360 0.021 0.031 0.507 64 N N -1.734 116.971 118.700 0.007 0.000 2.280 64 N HA 0.027 4.772 4.740 0.008 0.000 0.192 64 N C -0.842 174.676 175.510 0.013 0.000 1.109 64 N CA -0.493 52.560 53.050 0.006 0.000 0.855 64 N CB 0.663 39.148 38.487 -0.003 0.000 0.974 64 N HN -0.437 7.891 8.380 0.001 0.053 0.482 65 M N 1.833 121.445 119.600 0.020 0.000 2.239 65 M HA -0.119 4.384 4.480 0.037 0.000 0.348 65 M C -0.817 175.511 176.300 0.047 0.000 1.239 65 M CA 0.642 55.967 55.300 0.041 0.000 1.114 65 M CB 0.602 33.244 32.600 0.069 0.000 1.641 65 M HN -0.649 7.484 8.290 0.017 0.168 0.453 66 T N 0.954 115.533 114.554 0.042 0.000 2.907 66 T HA 0.264 4.636 4.350 0.038 0.000 0.292 66 T C 0.902 175.609 174.700 0.012 0.000 1.043 66 T CA -1.910 60.210 62.100 0.033 0.000 1.003 66 T CB 3.166 72.051 68.868 0.029 0.000 1.084 66 T HN -0.304 7.963 8.240 0.046 0.000 0.483 67 G N 1.633 110.445 108.800 0.020 0.000 2.442 67 G HA2 -0.352 3.644 3.960 0.060 0.000 0.219 67 G HA3 -0.352 3.565 3.960 -0.071 0.000 0.219 67 G C 1.098 175.984 174.900 -0.024 0.000 1.141 67 G CA 2.163 47.262 45.100 -0.003 0.000 0.763 67 G HN 0.497 8.811 8.290 0.040 0.000 0.554 68 D N 1.112 121.525 120.400 0.020 0.000 2.144 68 D HA -0.237 4.427 4.640 0.041 0.000 0.199 68 D C 2.050 178.366 176.300 0.027 0.000 0.984 68 D CA 3.222 57.240 54.000 0.029 0.000 0.834 68 D CB -0.427 40.395 40.800 0.036 0.000 0.955 68 D HN 0.247 8.635 8.370 0.030 0.000 0.465 69 V N -0.795 119.139 119.914 0.034 0.000 2.379 69 V HA -0.384 3.815 4.120 0.131 0.000 0.245 69 V C 1.303 177.450 176.094 0.088 0.000 1.044 69 V CA 3.034 65.398 62.300 0.107 0.000 1.036 69 V CB -0.407 31.491 31.823 0.125 0.000 0.664 69 V HN -0.887 7.306 8.190 0.026 0.012 0.453 70 V N 0.436 120.293 119.914 -0.095 0.000 2.392 70 V HA -0.467 3.526 4.120 -0.213 0.000 0.249 70 V C 2.366 178.188 176.094 -0.453 0.000 1.059 70 V CA 4.178 66.272 62.300 -0.344 0.000 1.051 70 V CB -1.300 30.160 31.823 -0.605 0.000 0.658 70 V HN -0.147 7.988 8.190 -0.092 0.000 0.455 71 L N -1.006 120.020 121.223 -0.328 0.000 2.012 71 L HA -0.498 nan 4.340 nan 0.000 0.210 71 L C 1.948 178.840 176.870 0.037 0.000 1.073 71 L CA 3.679 58.482 54.840 -0.062 0.000 0.748 71 L CB -0.604 41.502 42.059 0.078 0.000 0.891 71 L HN 0.087 8.144 8.230 -0.271 0.010 0.431 72 K N -1.667 118.786 120.400 0.089 0.000 2.097 72 K HA -0.289 4.286 4.320 0.149 -0.166 0.205 72 K C 2.757 179.483 176.600 0.210 0.000 1.050 72 K CA 2.964 59.366 56.287 0.192 0.000 0.938 72 K CB -0.223 32.431 32.500 0.257 0.000 0.718 72 K HN -0.793 7.505 8.250 0.080 0.000 0.442 73 L N -0.782 120.466 121.223 0.042 0.000 2.017 73 L HA -0.394 3.508 4.340 -0.730 0.000 0.208 73 L C 1.458 178.227 176.870 -0.169 0.000 1.073 73 L CA 3.184 57.785 54.840 -0.399 0.000 0.745 73 L CB -0.267 41.466 42.059 -0.544 0.000 0.894 73 L HN -0.202 8.000 8.230 0.081 0.077 0.432 74 S N -0.999 114.667 115.700 -0.055 0.000 2.368 74 S HA -0.437 nan 4.470 nan 0.000 0.225 74 S C 2.158 176.789 174.600 0.053 0.000 1.030 74 S CA 3.345 61.575 58.200 0.051 0.000 0.999 74 S CB -0.966 62.356 63.200 0.203 0.000 0.844 74 S HN 0.006 8.269 8.310 -0.079 0.000 0.459 75 Q N 2.946 122.787 119.800 0.067 0.000 2.050 75 Q HA -0.322 nan 4.340 nan 0.000 0.202 75 Q C 1.953 177.984 176.000 0.052 0.000 0.980 75 Q CA 2.814 58.658 55.803 0.068 0.000 0.840 75 Q CB -0.296 28.491 28.738 0.081 0.000 0.898 75 Q HN -0.261 8.053 8.270 0.074 0.000 0.424 76 R N -0.645 119.888 120.500 0.055 0.000 2.075 76 R HA -0.216 4.162 4.340 0.063 0.000 0.232 76 R C 2.298 178.600 176.300 0.002 0.000 1.126 76 R CA 2.089 58.219 56.100 0.050 0.000 0.963 76 R CB -0.745 29.617 30.300 0.104 0.000 0.858 76 R HN -0.419 7.889 8.270 0.063 0.000 0.435 77 V N 0.207 120.099 119.914 -0.036 0.000 2.343 77 V HA -0.515 3.572 4.120 -0.056 0.000 0.247 77 V C 1.957 178.045 176.094 -0.010 0.000 1.051 77 V CA 4.270 66.543 62.300 -0.044 0.000 1.036 77 V CB -0.958 30.824 31.823 -0.069 0.000 0.654 77 V HN 0.062 8.220 8.190 -0.053 0.000 0.451 78 N N -0.210 118.496 118.700 0.010 0.000 2.120 78 N HA -0.334 4.414 4.740 0.014 0.000 0.188 78 N C 2.565 178.083 175.510 0.014 0.000 1.024 78 N CA 3.535 56.595 53.050 0.017 0.000 0.852 78 N CB -0.218 38.286 38.487 0.029 0.000 1.003 78 N HN -0.159 8.230 8.380 0.016 0.000 0.424 79 E N 0.563 120.774 120.200 0.017 0.000 2.077 79 E HA -0.310 4.050 4.350 0.016 0.000 0.193 79 E C 2.502 179.107 176.600 0.010 0.000 0.989 79 E CA 2.750 59.160 56.400 0.017 0.000 0.800 79 E CB -0.006 29.709 29.700 0.024 0.000 0.746 79 E HN -0.519 7.854 8.360 0.021 0.000 0.452 80 L N -1.271 119.954 121.223 0.004 0.000 2.017 80 L HA -0.405 3.936 4.340 0.001 0.000 0.208 80 L C 2.297 179.164 176.870 -0.004 0.000 1.073 80 L CA 3.013 57.852 54.840 -0.002 0.000 0.745 80 L CB -0.029 42.023 42.059 -0.012 0.000 0.894 80 L HN -0.219 8.013 8.230 0.004 0.000 0.432 81 L N -3.398 117.821 121.223 -0.005 0.000 2.376 81 L HA -0.233 4.103 4.340 -0.007 0.000 0.219 81 L C 1.889 178.759 176.870 -0.001 0.000 1.133 81 L CA 2.031 56.868 54.840 -0.004 0.000 0.816 81 L CB -0.828 41.229 42.059 -0.004 0.000 0.933 81 L HN -0.069 8.157 8.230 -0.006 0.000 0.449 82 A N -3.228 119.593 122.820 0.002 0.000 2.119 82 A HA -0.131 4.190 4.320 0.002 0.000 0.217 82 A C 0.348 177.933 177.584 0.002 0.000 1.153 82 A CA 0.627 52.666 52.037 0.003 0.000 0.692 82 A CB -0.157 18.846 19.000 0.006 0.000 0.799 82 A HN -0.591 7.526 8.150 0.003 0.035 0.458 83 R N -0.516 119.985 120.500 0.001 0.000 2.438 83 R HA -0.005 4.336 4.340 0.002 0.000 0.287 83 R C 0.794 177.093 176.300 -0.001 0.000 1.077 83 R CA -0.113 55.987 56.100 0.001 0.000 1.034 83 R CB 0.219 30.519 30.300 0.001 0.000 0.993 83 R HN -0.778 7.347 8.270 0.001 0.146 0.459 84 D N 1.946 122.346 120.400 -0.001 0.000 2.264 84 D HA -0.195 4.444 4.640 -0.002 0.000 0.208 84 D C 0.032 176.331 176.300 -0.002 0.000 0.966 84 D CA 2.260 56.259 54.000 -0.001 0.000 0.864 84 D CB -0.005 40.794 40.800 -0.001 0.000 0.933 84 D HN 0.433 8.803 8.370 -0.000 0.000 0.499 85 D N -4.343 116.056 120.400 -0.002 0.000 2.325 85 D HA -0.081 4.557 4.640 -0.002 0.000 0.225 85 D C -0.517 175.781 176.300 -0.004 0.000 1.096 85 D CA -0.584 53.415 54.000 -0.002 0.000 0.844 85 D CB -0.649 40.150 40.800 -0.002 0.000 0.925 85 D HN -0.141 8.187 8.370 -0.001 0.041 0.513 86 V N 0.102 120.014 119.914 -0.004 0.000 2.409 86 V HA 0.097 4.213 4.120 -0.007 0.000 0.291 86 V C -1.498 174.592 176.094 -0.007 0.000 1.020 86 V CA -1.136 61.160 62.300 -0.007 0.000 0.848 86 V CB 1.880 33.698 31.823 -0.008 0.000 0.990 86 V HN -0.904 7.211 8.190 -0.004 0.073 0.430 87 D N 5.662 126.057 120.400 -0.007 0.000 2.355 87 D HA 0.098 4.735 4.640 -0.004 0.000 0.206 87 D C -0.596 175.700 176.300 -0.007 0.000 1.010 87 D CA 1.371 55.368 54.000 -0.006 0.000 0.875 87 D CB 2.016 42.814 40.800 -0.004 0.000 0.966 87 D HN 0.475 8.840 8.370 -0.008 0.000 0.512 88 G N -4.824 103.969 108.800 -0.013 0.000 2.466 88 G HA2 0.179 4.132 3.960 -0.013 0.000 0.291 88 G HA3 0.179 4.215 3.960 -0.016 -0.086 0.291 88 G C -3.323 171.558 174.900 -0.032 0.000 1.460 88 G CA 0.327 45.416 45.100 -0.017 0.000 0.791 88 G HN -0.898 7.383 8.290 -0.014 0.000 0.505 89 V N -5.255 114.629 119.914 -0.049 0.000 2.709 89 V HA 0.955 nan 4.120 nan 0.000 0.308 89 V C -1.756 174.273 176.094 -0.108 0.000 1.062 89 V CA -2.341 59.910 62.300 -0.081 0.000 0.901 89 V CB 3.013 34.776 31.823 -0.100 0.000 1.003 89 V HN 0.276 8.440 8.190 -0.044 0.000 0.425 90 V N 4.698 124.545 119.914 -0.113 0.000 2.435 90 V HA 0.791 5.031 4.120 -0.144 -0.207 0.290 90 V C -1.007 174.969 176.094 -0.196 0.000 1.030 90 V CA -2.407 59.813 62.300 -0.133 0.000 0.881 90 V CB 2.403 34.180 31.823 -0.077 0.000 0.983 90 V HN 0.272 8.405 8.190 -0.094 0.000 0.445 91 I N 7.662 128.041 120.570 -0.320 0.000 2.354 91 I HA 0.561 4.791 4.170 -0.277 -0.226 0.286 91 I C -0.488 175.521 176.117 -0.180 0.000 1.007 91 I CA -1.710 59.356 61.300 -0.388 0.000 1.167 91 I CB 1.749 39.206 38.000 -0.905 0.000 1.320 91 I HN 0.719 8.723 8.210 -0.344 0.000 0.458 92 T N 6.617 121.138 114.554 -0.056 0.000 2.832 92 T HA 0.346 4.902 4.350 0.052 -0.174 0.296 92 T C -0.760 174.027 174.700 0.145 0.000 0.968 92 T CA -1.339 60.786 62.100 0.042 0.000 1.107 92 T CB 0.959 69.841 68.868 0.025 0.000 0.916 92 T HN 0.083 8.283 8.240 -0.067 0.000 0.517 93 H N 5.865 124.981 119.070 0.076 0.000 3.017 93 H HA 0.535 5.158 4.556 0.113 0.000 0.346 93 H C -1.446 173.950 175.328 0.113 0.000 1.286 93 H CA -0.574 55.550 56.048 0.127 0.000 1.120 93 H CB 4.427 34.342 29.762 0.255 0.000 1.860 93 H HN -0.021 8.387 8.280 0.213 0.000 0.542 94 G N -0.408 108.447 108.800 0.092 0.000 2.594 94 G HA2 -0.117 3.902 3.960 0.098 0.000 0.243 94 G HA3 -0.117 3.937 3.960 0.157 0.000 0.243 94 G C -0.377 174.731 174.900 0.347 0.000 1.229 94 G CA -0.017 45.191 45.100 0.179 0.000 0.843 94 G HN 0.498 8.629 8.290 -0.266 0.000 0.578 95 T N -2.453 112.272 114.554 0.286 0.000 2.857 95 T HA -0.247 4.353 4.350 0.416 0.000 0.266 95 T C 2.173 177.092 174.700 0.365 0.000 1.048 95 T CA 2.713 65.049 62.100 0.394 0.000 1.139 95 T CB -0.087 69.039 68.868 0.429 0.000 0.874 95 T HN 0.373 8.756 8.240 0.239 0.000 0.455 96 D N 1.201 121.738 120.400 0.228 0.000 2.123 96 D HA -0.149 4.559 4.640 0.112 0.000 0.196 96 D C 0.934 177.325 176.300 0.153 0.000 0.992 96 D CA 3.003 57.090 54.000 0.146 0.000 0.833 96 D CB -0.395 40.460 40.800 0.092 0.000 0.954 96 D HN -0.166 8.327 8.370 0.206 0.000 0.455 97 T N -6.894 107.784 114.554 0.206 0.000 3.200 97 T HA 0.154 4.578 4.350 0.123 0.000 0.284 97 T C 0.055 174.848 174.700 0.156 0.000 1.009 97 T CA -1.354 60.853 62.100 0.179 0.000 0.907 97 T CB 1.493 70.462 68.868 0.168 0.000 1.120 97 T HN -0.515 7.861 8.240 0.253 0.016 0.534 98 V N 3.676 123.666 119.914 0.127 0.000 2.469 98 V HA -0.451 3.247 4.120 -0.702 0.000 0.251 98 V C 0.094 176.023 176.094 -0.276 0.000 1.064 98 V CA 3.583 65.724 62.300 -0.264 0.000 1.066 98 V CB -0.130 31.586 31.823 -0.178 0.000 0.667 98 V HN -0.804 7.531 8.190 0.242 0.000 0.461 99 E N -2.405 117.789 120.200 -0.009 0.000 2.153 99 E HA -0.363 4.018 4.350 0.051 0.000 0.194 99 E C 2.073 178.755 176.600 0.135 0.000 0.988 99 E CA 3.168 59.620 56.400 0.087 0.000 0.811 99 E CB -1.006 28.767 29.700 0.123 0.000 0.746 99 E HN 0.581 8.978 8.360 0.095 0.020 0.466 100 E N 0.690 120.930 120.200 0.066 0.000 2.028 100 E HA -0.270 4.231 4.350 0.251 0.000 0.190 100 E C 2.403 179.035 176.600 0.054 0.000 0.984 100 E CA 2.805 59.284 56.400 0.131 0.000 0.800 100 E CB 0.089 29.854 29.700 0.109 0.000 0.758 100 E HN -0.663 7.696 8.360 0.035 0.021 0.448 101 S N 0.976 116.605 115.700 -0.118 0.000 2.368 101 S HA -0.354 4.072 4.470 -0.074 0.000 0.225 101 S C 2.094 176.465 174.600 -0.381 0.000 1.030 101 S CA 3.254 61.330 58.200 -0.207 0.000 0.999 101 S CB -0.059 62.982 63.200 -0.266 0.000 0.844 101 S HN -0.558 7.672 8.310 -0.134 0.000 0.459 102 A N 0.912 123.236 122.820 -0.825 0.000 1.898 102 A HA -0.290 3.316 4.320 -1.191 0.000 0.216 102 A C 1.279 178.755 177.584 -0.181 0.000 1.181 102 A CA 2.949 54.454 52.037 -0.887 0.000 0.620 102 A CB -0.599 17.840 19.000 -0.934 0.000 0.819 102 A HN 0.083 7.748 8.150 -0.809 0.000 0.442 103 Y N -0.281 119.890 120.300 -0.215 0.000 2.242 103 Y HA -0.344 4.065 4.550 -0.234 0.000 0.291 103 Y C 1.341 177.244 175.900 0.005 0.000 1.137 103 Y CA 1.832 59.830 58.100 -0.171 0.000 1.181 103 Y CB 0.001 38.280 38.460 -0.301 0.000 0.989 103 Y HN -0.715 7.578 8.280 0.022 0.000 0.527 104 F N 0.379 120.233 119.950 -0.160 0.000 2.069 104 F HA -0.451 3.890 4.527 -0.310 0.000 0.298 104 F C 1.997 177.721 175.800 -0.125 0.000 1.113 104 F CA 3.856 61.740 58.000 -0.194 0.000 1.214 104 F CB 0.028 38.975 39.000 -0.089 0.000 0.978 104 F HN -0.370 8.047 8.300 0.195 0.000 0.474 105 L N -2.173 119.246 121.223 0.327 0.000 2.131 105 L HA -0.332 4.189 4.340 0.301 0.000 0.210 105 L C 1.986 178.958 176.870 0.170 0.000 1.092 105 L CA 2.637 57.639 54.840 0.270 0.000 0.759 105 L CB -0.749 41.502 42.059 0.320 0.000 0.903 105 L HN -0.346 8.058 8.230 0.289 0.000 0.435 106 H N -0.274 118.805 119.070 0.015 0.000 2.390 106 H HA -0.319 4.249 4.556 0.019 0.000 0.298 106 H C 1.869 177.184 175.328 -0.022 0.000 1.106 106 H CA 4.436 60.478 56.048 -0.010 0.000 1.297 106 H CB 0.071 29.829 29.762 -0.007 0.000 1.375 106 H HN -0.162 8.225 8.280 0.208 0.017 0.509 107 L N -7.525 113.637 121.223 -0.101 0.000 2.375 107 L HA -0.033 4.265 4.340 -0.070 0.000 0.215 107 L C 0.489 177.313 176.870 -0.078 0.000 1.108 107 L CA 1.652 56.393 54.840 -0.164 0.000 0.830 107 L CB 0.352 42.110 42.059 -0.502 0.000 0.959 107 L HN -0.567 7.460 8.230 -0.131 0.125 0.457 108 T N -7.438 107.084 114.554 -0.054 0.000 3.003 108 T HA 0.129 4.784 4.350 -0.017 -0.314 0.261 108 T C 0.117 174.842 174.700 0.043 0.000 1.003 108 T CA -0.816 61.281 62.100 -0.005 0.000 0.917 108 T CB 1.817 70.688 68.868 0.005 0.000 1.084 108 T HN -0.752 7.355 8.240 -0.027 0.117 0.522 109 V N 4.236 124.180 119.914 0.051 0.000 2.432 109 V HA -0.165 4.122 4.120 0.050 -0.137 0.271 109 V C -1.329 174.781 176.094 0.027 0.000 1.046 109 V CA -0.028 62.300 62.300 0.048 0.000 0.945 109 V CB -0.223 31.636 31.823 0.060 0.000 0.992 109 V HN -0.373 7.847 8.190 0.050 0.000 0.471 110 K N 7.864 128.276 120.400 0.019 0.000 3.129 110 K HA 0.107 4.428 4.320 0.002 0.000 0.241 110 K C -1.211 175.393 176.600 0.007 0.000 1.239 110 K CA -2.001 54.290 56.287 0.007 0.000 1.239 110 K CB -2.122 30.379 32.500 0.003 0.000 1.347 110 K HN 0.158 8.769 8.250 0.023 -0.347 0.435 111 S N -0.691 115.017 115.700 0.013 0.000 2.556 111 S HA 0.185 4.659 4.470 0.006 0.000 0.271 111 S C -1.355 173.256 174.600 0.019 0.000 1.135 111 S CA -0.728 57.478 58.200 0.011 0.000 0.858 111 S CB 2.378 65.584 63.200 0.009 0.000 1.114 111 S HN -0.692 7.548 8.310 0.019 0.080 0.468 112 D N 1.889 122.298 120.400 0.014 0.000 2.350 112 D HA 0.078 4.739 4.640 0.035 0.000 0.213 112 D C 0.138 176.445 176.300 0.012 0.000 1.031 112 D CA 0.602 54.614 54.000 0.020 0.000 0.861 112 D CB 0.352 41.159 40.800 0.011 0.000 0.926 112 D HN 0.233 8.607 8.370 0.008 0.000 0.520 113 K N 1.496 121.901 120.400 0.008 0.000 2.355 113 K HA 0.007 4.329 4.320 0.003 0.000 0.270 113 K C -1.912 174.693 176.600 0.007 0.000 1.003 113 K CA -0.226 56.063 56.287 0.004 0.000 0.957 113 K CB -0.611 31.889 32.500 0.000 0.000 0.939 113 K HN -0.722 7.484 8.250 0.007 0.049 0.482 114 P HA -0.077 4.354 4.420 0.019 0.000 0.271 114 P C -1.774 175.528 177.300 0.003 0.000 1.216 114 P CA 0.026 63.135 63.100 0.014 0.000 0.771 114 P CB 0.379 32.093 31.700 0.024 0.000 0.864 115 V N 4.500 124.424 119.914 0.016 0.000 2.409 115 V HA 0.478 4.744 4.120 -0.048 -0.175 0.290 115 V C -1.173 174.941 176.094 0.033 0.000 1.017 115 V CA -0.324 61.974 62.300 -0.003 0.000 0.841 115 V CB 1.862 33.702 31.823 0.027 0.000 1.003 115 V HN 0.377 8.586 8.190 0.031 0.000 0.426 116 V N 7.215 127.111 119.914 -0.030 0.000 2.376 116 V HA 0.399 4.726 4.120 0.088 -0.154 0.287 116 V C -0.966 175.103 176.094 -0.041 0.000 1.015 116 V CA -1.831 60.480 62.300 0.018 0.000 0.834 116 V CB 0.830 32.657 31.823 0.007 0.000 1.001 116 V HN 0.456 8.593 8.190 -0.088 0.000 0.428 117 F N 8.269 128.177 119.950 -0.069 0.000 2.429 117 F HA 0.417 5.083 4.527 -0.071 -0.182 0.348 117 F C -1.006 174.736 175.800 -0.097 0.000 1.109 117 F CA 0.599 58.544 58.000 -0.092 0.000 1.232 117 F CB 1.514 40.423 39.000 -0.152 0.000 1.157 117 F HN 0.594 9.123 8.300 0.383 0.000 0.564 118 V N 0.625 120.589 119.914 0.083 0.000 3.007 118 V HA 0.907 5.181 4.120 -0.013 -0.162 0.311 118 V C -2.622 173.502 176.094 0.051 0.000 1.120 118 V CA -3.199 59.114 62.300 0.021 0.000 0.980 118 V CB 4.569 36.391 31.823 -0.003 0.000 1.033 118 V HN 0.202 8.444 8.190 0.086 0.000 0.429 119 A N 5.247 128.076 122.820 0.015 0.000 2.568 119 A HA 0.660 5.140 4.320 0.088 -0.107 0.291 119 A C -2.720 174.897 177.584 0.055 0.000 1.159 119 A CA -0.918 51.154 52.037 0.059 0.000 0.679 119 A CB 3.228 22.269 19.000 0.067 0.000 1.285 119 A HN -0.182 7.957 8.150 -0.017 0.000 0.428 120 A N -3.139 119.733 122.820 0.086 0.000 2.520 120 A HA 0.400 4.898 4.320 0.071 -0.135 0.298 120 A C -1.396 176.250 177.584 0.102 0.000 1.051 120 A CA -0.627 51.454 52.037 0.072 0.000 0.690 120 A CB 3.095 22.110 19.000 0.025 0.000 1.281 120 A HN 0.393 8.607 8.150 0.106 0.000 0.402 121 M N -0.120 119.540 119.600 0.101 0.000 2.514 121 M HA 0.031 4.592 4.480 0.134 0.000 0.258 121 M C 0.564 176.893 176.300 0.048 0.000 1.119 121 M CA 0.040 55.401 55.300 0.102 0.000 1.111 121 M CB 0.404 33.067 32.600 0.104 0.000 1.390 121 M HN 0.186 8.965 8.290 0.092 -0.433 0.475 122 R N -1.575 118.917 120.500 -0.015 0.000 2.664 122 R HA 0.446 4.715 4.340 -0.118 0.000 0.286 122 R C -2.696 173.480 176.300 -0.207 0.000 0.967 122 R CA -3.158 52.880 56.100 -0.104 0.000 0.933 122 R CB 1.007 31.268 30.300 -0.066 0.000 1.146 122 R HN -0.513 8.049 8.270 -0.003 -0.294 0.468 123 P HA 0.212 4.653 4.420 -0.370 -0.243 0.272 123 P C 0.483 177.656 177.300 -0.211 0.000 1.240 123 P CA -0.875 61.962 63.100 -0.440 0.000 0.791 123 P CB 0.804 32.036 31.700 -0.780 0.000 0.978 124 A N 0.315 123.050 122.820 -0.141 0.000 2.024 124 A HA -0.230 4.049 4.320 -0.068 0.000 0.220 124 A C 0.877 178.419 177.584 -0.069 0.000 1.164 124 A CA 2.548 54.537 52.037 -0.079 0.000 0.643 124 A CB -0.240 18.731 19.000 -0.049 0.000 0.806 124 A HN 0.075 8.138 8.150 -0.144 0.000 0.451 125 T N -6.053 108.451 114.554 -0.083 0.000 3.100 125 T HA -0.075 4.250 4.350 -0.041 0.000 0.253 125 T C 0.159 174.824 174.700 -0.058 0.000 1.118 125 T CA 0.333 62.399 62.100 -0.057 0.000 1.058 125 T CB 0.280 69.121 68.868 -0.044 0.000 0.953 125 T HN -0.414 7.720 8.240 -0.109 0.041 0.515 126 A N 1.626 124.397 122.820 -0.081 0.000 2.407 126 A HA 0.067 4.514 4.320 -0.053 -0.159 0.248 126 A C -0.675 176.885 177.584 -0.039 0.000 1.082 126 A CA -0.998 51.000 52.037 -0.064 0.000 0.785 126 A CB 0.891 19.840 19.000 -0.086 0.000 1.020 126 A HN -0.551 7.370 8.150 -0.103 0.167 0.489 127 I N 1.650 122.205 120.570 -0.025 0.000 2.741 127 I HA -0.355 3.805 4.170 -0.016 0.000 0.288 127 I C 0.129 176.235 176.117 -0.017 0.000 1.192 127 I CA 1.800 63.090 61.300 -0.017 0.000 1.426 127 I CB -0.140 37.854 38.000 -0.010 0.000 1.367 127 I HN -0.200 7.996 8.210 -0.022 0.000 0.563 128 S N 1.650 117.341 115.700 -0.015 0.000 3.698 128 S HA -0.320 4.143 4.470 -0.012 0.000 0.338 128 S C -0.357 174.232 174.600 -0.017 0.000 1.089 128 S CA 0.837 59.030 58.200 -0.013 0.000 0.991 128 S CB -1.527 61.668 63.200 -0.008 0.000 0.909 128 S HN 0.367 8.668 8.310 -0.014 0.000 0.485 129 A N -0.049 122.755 122.820 -0.026 0.000 2.565 129 A HA -0.199 4.097 4.320 -0.040 0.000 0.237 129 A C -0.429 177.143 177.584 -0.021 0.000 1.053 129 A CA 1.046 53.063 52.037 -0.033 0.000 0.755 129 A CB 0.539 19.512 19.000 -0.044 0.000 0.980 129 A HN -0.820 7.289 8.150 -0.027 0.025 0.506 130 D N 2.702 123.093 120.400 -0.014 0.000 2.305 130 D HA -0.150 4.487 4.640 -0.004 0.000 0.206 130 D C 1.373 177.670 176.300 -0.004 0.000 0.974 130 D CA 1.795 55.793 54.000 -0.003 0.000 0.871 130 D CB 0.083 40.891 40.800 0.013 0.000 0.947 130 D HN 0.343 8.702 8.370 -0.018 0.000 0.516 131 G N 0.937 109.731 108.800 -0.009 0.000 2.440 131 G HA2 -0.230 3.724 3.960 -0.010 0.000 0.218 131 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 131 G C -1.205 173.690 174.900 -0.009 0.000 1.154 131 G CA 2.728 47.824 45.100 -0.007 0.000 0.767 131 G HN 0.674 8.954 8.290 -0.016 0.000 0.552 132 P HA -0.238 4.175 4.420 -0.012 0.000 0.214 132 P C 1.382 178.675 177.300 -0.012 0.000 1.163 132 P CA 3.032 66.124 63.100 -0.012 0.000 0.883 132 P CB -0.151 31.541 31.700 -0.013 0.000 0.788 133 M N -3.615 115.978 119.600 -0.012 0.000 2.132 133 M HA -0.272 4.200 4.480 -0.014 0.000 0.263 133 M C 1.637 177.928 176.300 -0.016 0.000 1.065 133 M CA 2.528 57.820 55.300 -0.013 0.000 1.122 133 M CB -0.422 32.170 32.600 -0.013 0.000 1.365 133 M HN -0.331 7.953 8.290 -0.011 0.000 0.411 134 N N 0.546 119.238 118.700 -0.013 0.000 2.104 134 N HA -0.312 4.415 4.740 -0.022 0.000 0.190 134 N C 2.419 177.918 175.510 -0.018 0.000 1.024 134 N CA 2.840 55.880 53.050 -0.017 0.000 0.853 134 N CB -0.439 38.043 38.487 -0.009 0.000 1.008 134 N HN -0.379 7.995 8.380 -0.010 0.000 0.424 135 L N 0.538 121.753 121.223 -0.014 0.000 2.046 135 L HA -0.232 4.099 4.340 -0.016 0.000 0.208 135 L C 1.191 178.051 176.870 -0.017 0.000 1.077 135 L CA 2.965 57.797 54.840 -0.015 0.000 0.747 135 L CB -0.307 41.745 42.059 -0.011 0.000 0.896 135 L HN -0.085 8.138 8.230 -0.011 0.000 0.432 136 L N -0.772 120.441 121.223 -0.016 0.000 2.012 136 L HA -0.440 3.890 4.340 -0.016 0.000 0.210 136 L C 1.604 178.462 176.870 -0.020 0.000 1.073 136 L CA 3.571 58.401 54.840 -0.017 0.000 0.748 136 L CB -0.445 41.605 42.059 -0.015 0.000 0.891 136 L HN -0.246 7.975 8.230 -0.015 0.000 0.431 137 E N -1.224 118.962 120.200 -0.024 0.000 2.085 137 E HA -0.487 3.844 4.350 -0.032 0.000 0.194 137 E C 2.093 178.676 176.600 -0.029 0.000 0.994 137 E CA 3.327 59.709 56.400 -0.030 0.000 0.801 137 E CB -0.273 29.405 29.700 -0.038 0.000 0.743 137 E HN -0.227 8.119 8.360 -0.023 0.000 0.453 138 A N -0.328 122.477 122.820 -0.025 0.000 1.902 138 A HA -0.313 3.997 4.320 -0.017 0.000 0.217 138 A C 1.908 179.482 177.584 -0.017 0.000 1.181 138 A CA 3.326 55.351 52.037 -0.020 0.000 0.623 138 A CB -0.625 18.362 19.000 -0.022 0.000 0.818 138 A HN -0.160 7.975 8.150 -0.024 0.000 0.443 139 V N -0.882 119.020 119.914 -0.019 0.000 2.358 139 V HA -0.481 3.628 4.120 -0.018 0.000 0.246 139 V C 1.905 177.992 176.094 -0.012 0.000 1.047 139 V CA 3.931 66.221 62.300 -0.017 0.000 1.035 139 V CB -1.068 30.745 31.823 -0.017 0.000 0.658 139 V HN -0.230 7.948 8.190 -0.020 0.000 0.452 140 R N -0.369 120.121 120.500 -0.016 0.000 2.083 140 R HA -0.424 3.907 4.340 -0.015 0.000 0.237 140 R C 2.533 178.829 176.300 -0.008 0.000 1.137 140 R CA 3.607 59.696 56.100 -0.017 0.000 0.951 140 R CB -0.129 30.154 30.300 -0.029 0.000 0.851 140 R HN -0.619 7.640 8.270 -0.019 0.000 0.434 141 V N -1.694 118.217 119.914 -0.006 0.000 2.295 141 V HA -0.358 3.780 4.120 0.031 0.000 0.246 141 V C 2.621 178.744 176.094 0.048 0.000 1.049 141 V CA 3.593 65.908 62.300 0.026 0.000 1.024 141 V CB -0.619 31.219 31.823 0.024 0.000 0.648 141 V HN -0.183 7.998 8.190 -0.015 0.000 0.447 142 A N -0.943 121.890 122.820 0.023 0.000 1.972 142 A HA -0.219 4.117 4.320 0.026 0.000 0.219 142 A C 1.470 179.063 177.584 0.015 0.000 1.169 142 A CA 2.521 54.568 52.037 0.016 0.000 0.635 142 A CB -0.436 18.560 19.000 -0.007 0.000 0.810 142 A HN -0.016 8.140 8.150 0.010 0.000 0.446 143 G N -5.018 103.789 108.800 0.011 0.000 3.042 143 G HA2 -0.038 3.924 3.960 0.003 0.000 0.212 143 G HA3 -0.038 3.926 3.960 0.006 0.000 0.212 143 G C -1.032 173.878 174.900 0.016 0.000 1.166 143 G CA -0.669 44.436 45.100 0.008 0.000 0.767 143 G HN -0.597 7.671 8.290 0.009 0.027 0.546 144 D N 1.453 121.872 120.400 0.033 0.000 2.312 144 D HA 0.063 4.719 4.640 0.027 0.000 0.252 144 D C 1.031 177.360 176.300 0.048 0.000 1.150 144 D CA -0.250 53.776 54.000 0.044 0.000 0.870 144 D CB 1.621 42.463 40.800 0.070 0.000 1.153 144 D HN -0.895 7.446 8.370 0.040 0.052 0.457 145 K N 6.237 126.655 120.400 0.030 0.000 2.209 145 K HA -0.322 4.007 4.320 0.014 0.000 0.204 145 K C 1.685 178.297 176.600 0.019 0.000 1.048 145 K CA 2.393 58.692 56.287 0.019 0.000 0.940 145 K CB -0.631 31.875 32.500 0.010 0.000 0.729 145 K HN 0.508 8.773 8.250 0.024 0.000 0.451 146 Q N -1.717 118.113 119.800 0.049 0.000 2.488 146 Q HA -0.069 4.268 4.340 -0.006 0.000 0.211 146 Q C 1.685 177.662 176.000 -0.038 0.000 0.967 146 Q CA 0.427 56.251 55.803 0.035 0.000 0.926 146 Q CB -1.104 27.711 28.738 0.129 0.000 0.992 146 Q HN 0.075 8.669 8.270 0.064 -0.286 0.506 147 S N -1.033 114.691 115.700 0.039 0.000 2.562 147 S HA -0.050 4.359 4.470 -0.102 0.000 0.221 147 S C -0.214 174.354 174.600 -0.054 0.000 0.975 147 S CA 1.462 59.669 58.200 0.011 0.000 0.918 147 S CB 0.247 63.533 63.200 0.144 0.000 0.772 147 S HN -0.317 7.852 8.310 0.074 0.186 0.531 148 R N 0.648 121.122 120.500 -0.044 0.000 2.643 148 R HA -0.235 4.219 4.340 -0.014 -0.122 0.270 148 R C 1.085 177.360 176.300 -0.042 0.000 1.061 148 R CA 1.212 57.295 56.100 -0.029 0.000 1.107 148 R CB 0.302 30.591 30.300 -0.018 0.000 0.999 148 R HN -1.046 7.144 8.270 -0.037 0.058 0.460 149 G N 1.618 110.415 108.800 -0.005 0.000 2.153 149 G HA2 -0.398 3.575 3.960 0.022 0.000 0.252 149 G HA3 -0.398 3.605 3.960 0.072 0.000 0.252 149 G C 0.493 175.433 174.900 0.067 0.000 0.994 149 G CA 0.862 45.985 45.100 0.039 0.000 0.698 149 G HN 0.530 8.822 8.290 0.004 0.000 0.521 150 R N -0.368 120.117 120.500 -0.025 0.000 2.334 150 R HA 0.090 4.404 4.340 -0.044 0.000 0.216 150 R C -0.543 175.600 176.300 -0.262 0.000 0.905 150 R CA -0.892 55.155 56.100 -0.088 0.000 1.064 150 R CB 0.495 30.720 30.300 -0.124 0.000 1.046 150 R HN -0.411 7.805 8.270 -0.036 0.032 0.508 151 G N -2.649 105.894 108.800 -0.429 0.000 2.796 151 G HA2 -0.314 3.137 3.960 -0.850 0.000 0.571 151 G HA3 -0.314 3.237 3.960 -0.682 0.000 0.571 151 G C -0.777 174.094 174.900 -0.049 0.000 1.370 151 G CA -0.842 43.897 45.100 -0.601 0.000 0.856 151 G HN -0.401 7.698 8.290 -0.209 0.065 0.538 152 V N 0.489 120.543 119.914 0.232 0.000 2.715 152 V HA -0.071 4.256 4.120 0.140 -0.123 0.299 152 V C -0.192 175.958 176.094 0.094 0.000 1.054 152 V CA 1.743 64.154 62.300 0.185 0.000 1.077 152 V CB 0.705 32.679 31.823 0.252 0.000 0.972 152 V HN -0.374 8.163 8.190 0.578 0.000 0.484 153 M N 4.612 124.277 119.600 0.109 0.000 2.602 153 M HA 0.746 5.426 4.480 0.043 -0.175 0.312 153 M C -1.581 174.770 176.300 0.087 0.000 1.181 153 M CA -0.848 54.498 55.300 0.077 0.000 0.910 153 M CB 4.472 37.128 32.600 0.094 0.000 1.723 153 M HN 0.013 8.392 8.290 0.148 0.000 0.459 154 V N 1.097 121.024 119.914 0.022 0.000 2.444 154 V HA 0.578 4.885 4.120 0.007 -0.184 0.294 154 V C -1.672 174.388 176.094 -0.056 0.000 1.022 154 V CA -1.396 60.876 62.300 -0.045 0.000 0.850 154 V CB 1.427 33.143 31.823 -0.179 0.000 0.992 154 V HN 0.490 8.694 8.190 0.023 0.000 0.426 155 V N 9.068 128.947 119.914 -0.058 0.000 2.448 155 V HA 0.922 5.228 4.120 -0.063 -0.225 0.295 155 V C -1.422 174.619 176.094 -0.088 0.000 1.025 155 V CA -1.793 60.471 62.300 -0.061 0.000 0.859 155 V CB 1.659 33.463 31.823 -0.032 0.000 0.988 155 V HN 0.468 8.632 8.190 -0.043 0.000 0.431 156 I N 5.841 126.359 120.570 -0.087 0.000 2.739 156 I HA 0.124 4.387 4.170 -0.040 -0.117 0.288 156 I C -2.378 173.718 176.117 -0.036 0.000 1.582 156 I CA -0.101 61.167 61.300 -0.054 0.000 1.035 156 I CB 3.607 41.565 38.000 -0.069 0.000 1.432 156 I HN -0.076 8.079 8.210 -0.091 0.000 0.444 157 N N 9.560 128.250 118.700 -0.016 0.000 2.740 157 N HA -0.389 4.343 4.740 -0.013 0.000 0.248 157 N C -0.888 174.575 175.510 -0.078 0.000 1.062 157 N CA 1.602 54.640 53.050 -0.021 0.000 0.704 157 N CB -1.421 37.081 38.487 0.024 0.000 0.968 157 N HN 0.710 9.406 8.380 -0.009 -0.322 0.547 158 D N -10.565 109.784 120.400 -0.085 0.000 3.046 158 D HA -0.487 4.361 4.640 -0.084 -0.258 0.210 158 D C -1.204 174.986 176.300 -0.184 0.000 1.124 158 D CA 2.245 56.181 54.000 -0.106 0.000 0.986 158 D CB -0.990 39.759 40.800 -0.085 0.000 1.118 158 D HN -0.146 8.377 8.370 -0.067 -0.193 0.416 159 R N -3.808 116.540 120.500 -0.253 0.000 2.778 159 R HA 0.505 4.578 4.340 -0.444 0.000 0.277 159 R C -1.532 174.633 176.300 -0.226 0.000 0.977 159 R CA -2.405 53.430 56.100 -0.441 0.000 0.950 159 R CB 2.625 32.328 30.300 -0.996 0.000 1.165 159 R HN -0.586 7.504 8.270 -0.199 0.061 0.474 160 I N 1.020 121.509 120.570 -0.136 0.000 2.390 160 I HA 0.341 4.644 4.170 0.008 -0.129 0.283 160 I C -0.877 175.346 176.117 0.177 0.000 1.016 160 I CA -0.945 60.368 61.300 0.023 0.000 1.151 160 I CB 1.130 39.158 38.000 0.047 0.000 1.293 160 I HN 0.402 8.508 8.210 -0.174 0.000 0.458 161 G N 6.213 115.123 108.800 0.183 0.000 2.388 161 G HA2 0.390 4.515 3.960 0.275 0.000 0.330 161 G HA3 0.390 4.558 3.960 0.346 0.000 0.330 161 G C -2.062 172.908 174.900 0.117 0.000 1.142 161 G CA -1.840 43.411 45.100 0.252 0.000 0.908 161 G HN 0.411 8.766 8.290 0.109 0.000 0.473 162 S N 2.337 118.092 115.700 0.092 0.000 2.549 162 S HA -0.055 4.376 4.470 -0.066 0.000 0.279 162 S C 1.296 175.779 174.600 -0.196 0.000 1.321 162 S CA -0.823 57.333 58.200 -0.075 0.000 1.054 162 S CB 1.022 64.124 63.200 -0.164 0.000 0.899 162 S HN 0.209 8.613 8.310 0.157 0.000 0.497 163 A N 9.137 131.761 122.820 -0.326 0.000 1.986 163 A HA -0.235 3.945 4.320 -0.233 0.000 0.220 163 A C 0.994 178.209 177.584 -0.615 0.000 1.171 163 A CA 2.886 54.694 52.037 -0.383 0.000 0.640 163 A CB -0.269 18.516 19.000 -0.357 0.000 0.811 163 A HN 0.415 8.386 8.150 -0.298 0.000 0.451 164 R N -4.065 115.919 120.500 -0.859 0.000 2.148 164 R HA -0.233 3.233 4.340 -1.458 0.000 0.223 164 R C 0.863 176.756 176.300 -0.678 0.000 1.088 164 R CA 1.908 57.392 56.100 -1.026 0.000 0.985 164 R CB 0.129 29.928 30.300 -0.835 0.000 0.880 164 R HN -0.631 7.057 8.270 -0.917 0.032 0.451 165 Y N -5.958 114.197 120.300 -0.243 0.000 2.581 165 Y HA 0.051 4.557 4.550 -0.073 0.000 0.271 165 Y C 0.289 176.207 175.900 0.029 0.000 1.100 165 Y CA -0.813 57.239 58.100 -0.079 0.000 1.281 165 Y CB 1.001 39.424 38.460 -0.062 0.000 1.237 165 Y HN -0.772 7.283 8.280 -0.316 0.035 0.514 166 I N -0.243 120.449 120.570 0.204 0.000 2.754 166 I HA -0.189 4.109 4.170 0.212 0.000 0.285 166 I C -0.383 175.898 176.117 0.273 0.000 1.166 166 I CA 0.022 61.461 61.300 0.233 0.000 1.417 166 I CB 1.070 39.203 38.000 0.222 0.000 1.382 166 I HN -0.343 7.939 8.210 0.120 0.000 0.588 167 T N 7.206 121.903 114.554 0.238 0.000 2.889 167 T HA 0.233 4.670 4.350 0.145 0.000 0.315 167 T C -1.994 172.693 174.700 -0.022 0.000 1.291 167 T CA -1.132 61.035 62.100 0.112 0.000 1.028 167 T CB 1.914 70.763 68.868 -0.032 0.000 1.235 167 T HN 0.040 8.424 8.240 0.239 0.000 0.491 168 K N 7.028 127.282 120.400 -0.243 0.000 2.315 168 K HA -0.016 3.601 4.320 -1.171 0.000 0.291 168 K C 0.215 176.618 176.600 -0.328 0.000 1.074 168 K CA 0.382 56.268 56.287 -0.669 0.000 0.936 168 K CB 0.067 32.213 32.500 -0.589 0.000 1.049 168 K HN -0.067 8.383 8.250 -0.095 -0.257 0.471 169 T N 4.853 119.238 114.554 -0.281 0.000 3.037 169 T HA 0.058 4.330 4.350 -0.130 0.000 0.251 169 T C 0.021 174.644 174.700 -0.128 0.000 1.079 169 T CA 0.136 62.144 62.100 -0.153 0.000 1.067 169 T CB 0.791 69.601 68.868 -0.097 0.000 0.948 169 T HN 0.467 8.498 8.240 -0.348 0.000 0.496 170 N N 0.912 119.517 118.700 -0.158 0.000 2.225 170 N HA 0.046 4.735 4.740 -0.084 0.000 0.298 170 N C -0.591 174.853 175.510 -0.110 0.000 1.076 170 N CA -0.585 52.402 53.050 -0.106 0.000 0.792 170 N CB 2.469 40.909 38.487 -0.078 0.000 1.498 170 N HN -0.422 7.825 8.380 -0.221 0.000 0.474 171 A N 3.148 125.924 122.820 -0.074 0.000 1.940 171 A HA -0.277 4.004 4.320 -0.065 0.000 0.219 171 A C -0.166 177.396 177.584 -0.038 0.000 1.176 171 A CA 2.349 54.352 52.037 -0.057 0.000 0.631 171 A CB 0.122 19.097 19.000 -0.042 0.000 0.814 171 A HN 0.590 8.701 8.150 -0.064 0.000 0.446 172 S N -9.079 106.603 115.700 -0.029 0.000 2.744 172 S HA 0.230 4.709 4.470 0.014 0.000 0.265 172 S C -0.818 173.786 174.600 0.007 0.000 1.065 172 S CA -0.140 58.060 58.200 0.000 0.000 1.191 172 S CB 2.654 65.857 63.200 0.005 0.000 1.150 172 S HN -0.268 8.285 8.310 -0.039 -0.266 0.646 173 T N 0.652 115.202 114.554 -0.007 0.000 2.918 173 T HA 0.157 4.515 4.350 0.013 0.000 0.283 173 T C 1.055 175.769 174.700 0.023 0.000 1.001 173 T CA -1.197 60.907 62.100 0.006 0.000 1.041 173 T CB 2.142 71.009 68.868 -0.002 0.000 1.028 173 T HN -0.764 7.591 8.240 -0.025 -0.130 0.511 174 L N -0.296 120.949 121.223 0.036 0.000 2.131 174 L HA -0.207 4.177 4.340 0.073 0.000 0.210 174 L C 0.297 177.216 176.870 0.082 0.000 1.092 174 L CA 2.426 57.302 54.840 0.059 0.000 0.759 174 L CB -0.326 41.759 42.059 0.043 0.000 0.903 174 L HN 0.429 8.676 8.230 0.029 0.000 0.435 175 D N -7.315 113.122 120.400 0.061 0.000 2.336 175 D HA -0.015 4.688 4.640 0.104 0.000 0.228 175 D C 0.742 177.084 176.300 0.071 0.000 1.120 175 D CA -0.172 53.875 54.000 0.079 0.000 0.839 175 D CB -1.490 39.347 40.800 0.061 0.000 0.932 175 D HN -0.193 8.165 8.370 0.042 0.037 0.509 176 T N 1.958 116.518 114.554 0.010 0.000 2.759 176 T HA -0.264 4.023 4.350 -0.106 0.000 0.269 176 T C -0.753 173.827 174.700 -0.200 0.000 1.042 176 T CA 3.909 65.926 62.100 -0.138 0.000 1.140 176 T CB 0.075 68.782 68.868 -0.268 0.000 0.864 176 T HN -0.823 7.338 8.240 0.026 0.094 0.455 177 F N 0.721 120.724 119.950 0.087 0.000 2.471 177 F HA 0.456 5.264 4.527 0.088 -0.228 0.365 177 F C -0.726 175.197 175.800 0.206 0.000 1.095 177 F CA 1.240 59.312 58.000 0.120 0.000 1.174 177 F CB -0.480 38.592 39.000 0.119 0.000 1.105 177 F HN -0.213 8.212 8.300 0.209 0.000 0.535 178 R N 3.236 123.874 120.500 0.230 0.000 2.774 178 R HA 0.323 4.732 4.340 0.114 0.000 0.272 178 R C -2.083 174.210 176.300 -0.011 0.000 1.000 178 R CA -1.404 54.752 56.100 0.093 0.000 0.906 178 R CB 5.134 35.449 30.300 0.024 0.000 1.227 178 R HN -0.108 8.252 8.270 0.151 0.000 0.468 179 A N 1.742 124.447 122.820 -0.192 0.000 2.709 179 A HA 0.469 4.751 4.320 -0.064 0.000 0.332 179 A C -0.512 176.952 177.584 -0.200 0.000 1.241 179 A CA -0.917 51.035 52.037 -0.143 0.000 0.782 179 A CB 1.160 20.098 19.000 -0.102 0.000 1.109 179 A HN 0.450 8.363 8.150 -0.395 0.000 0.472 180 N N 5.227 123.845 118.700 -0.137 0.000 2.104 180 N HA -0.325 4.333 4.740 -0.137 0.000 0.190 180 N C 1.102 176.529 175.510 -0.138 0.000 1.024 180 N CA 2.944 55.918 53.050 -0.127 0.000 0.853 180 N CB -0.129 38.309 38.487 -0.083 0.000 1.008 180 N HN 0.594 8.912 8.380 -0.103 0.000 0.424 181 E N -1.508 118.602 120.200 -0.150 0.000 2.318 181 E HA 0.029 4.305 4.350 -0.124 0.000 0.193 181 E C 0.183 176.655 176.600 -0.213 0.000 0.998 181 E CA 1.301 57.608 56.400 -0.156 0.000 0.859 181 E CB -0.219 29.397 29.700 -0.140 0.000 0.812 181 E HN 0.262 8.534 8.360 -0.148 0.000 0.492 182 E N -2.468 117.556 120.200 -0.294 0.000 2.473 182 E HA 0.133 4.280 4.350 -0.340 0.000 0.204 182 E C 0.070 176.541 176.600 -0.215 0.000 0.994 182 E CA -0.742 55.431 56.400 -0.378 0.000 0.945 182 E CB 0.656 29.825 29.700 -0.885 0.000 0.990 182 E HN -0.613 7.580 8.360 -0.278 0.000 0.493 183 G N -0.156 108.501 108.800 -0.237 0.000 2.752 183 G HA2 -0.345 3.526 3.960 -0.149 0.000 0.234 183 G HA3 -0.345 3.369 3.960 -0.410 0.000 0.234 183 G C -1.430 173.316 174.900 -0.256 0.000 1.367 183 G CA -0.203 44.733 45.100 -0.272 0.000 0.879 183 G HN -0.434 7.700 8.290 -0.260 0.000 0.563 184 Y N -1.237 119.109 120.300 0.076 0.000 2.352 184 Y HA -0.032 4.585 4.550 0.111 0.000 0.326 184 Y C 0.196 176.171 175.900 0.125 0.000 1.166 184 Y CA -0.396 57.763 58.100 0.099 0.000 1.182 184 Y CB 1.192 39.697 38.460 0.075 0.000 1.216 184 Y HN -0.079 8.182 8.280 -0.033 0.000 0.474 185 L N 0.438 121.854 121.223 0.322 0.000 2.083 185 L HA -0.250 4.248 4.340 0.263 0.000 0.209 185 L C 0.182 177.253 176.870 0.334 0.000 1.083 185 L CA 2.100 57.118 54.840 0.298 0.000 0.752 185 L CB 0.386 42.620 42.059 0.291 0.000 0.899 185 L HN 0.113 8.542 8.230 0.333 0.000 0.433 186 G N -8.299 100.649 108.800 0.246 0.000 2.550 186 G HA2 0.512 4.450 3.960 -0.056 0.000 0.293 186 G HA3 0.512 4.632 3.960 0.132 -0.080 0.293 186 G C -3.095 171.803 174.900 -0.005 0.000 1.402 186 G CA 0.151 45.302 45.100 0.086 0.000 0.784 186 G HN -0.675 7.745 8.290 0.250 0.020 0.482 187 V N -5.338 114.549 119.914 -0.044 0.000 3.078 187 V HA 0.948 5.102 4.120 -0.133 -0.113 0.311 187 V C -2.596 173.485 176.094 -0.023 0.000 1.138 187 V CA -3.640 58.618 62.300 -0.069 0.000 1.007 187 V CB 3.944 35.728 31.823 -0.063 0.000 1.045 187 V HN 0.350 8.527 8.190 -0.021 0.000 0.432 188 I N 2.239 122.788 120.570 -0.034 0.000 2.420 188 I HA 0.659 5.048 4.170 0.036 -0.198 0.282 188 I C -0.641 175.496 176.117 0.032 0.000 1.019 188 I CA -0.948 60.352 61.300 -0.000 0.000 1.130 188 I CB 1.179 39.148 38.000 -0.051 0.000 1.262 188 I HN -0.044 8.124 8.210 -0.070 0.000 0.454 189 I N 5.803 126.448 120.570 0.124 0.000 2.533 189 I HA 0.297 4.485 4.170 0.029 0.000 0.290 189 I C 0.345 176.536 176.117 0.123 0.000 1.056 189 I CA -1.862 59.486 61.300 0.082 0.000 1.057 189 I CB 2.696 40.695 38.000 -0.001 0.000 1.240 189 I HN 0.296 8.644 8.210 0.230 0.000 0.423 190 G N 8.724 117.559 108.800 0.058 0.000 2.305 190 G HA2 -0.417 3.584 3.960 0.068 0.000 0.287 190 G HA3 -0.417 3.562 3.960 0.031 0.000 0.287 190 G C -0.049 174.876 174.900 0.042 0.000 1.036 190 G CA 0.619 45.750 45.100 0.053 0.000 0.887 190 G HN 0.458 8.767 8.290 0.033 0.000 0.505 191 N N -5.719 112.994 118.700 0.023 0.000 2.782 191 N HA -0.487 4.247 4.740 -0.009 0.000 0.251 191 N C -1.474 174.023 175.510 -0.022 0.000 1.101 191 N CA 1.361 54.410 53.050 -0.002 0.000 0.764 191 N CB -0.813 37.670 38.487 -0.006 0.000 1.122 191 N HN 0.242 8.610 8.380 0.023 0.025 0.561 192 R N -1.720 118.770 120.500 -0.017 0.000 2.628 192 R HA 0.293 4.546 4.340 -0.145 0.000 0.288 192 R C -2.290 173.901 176.300 -0.181 0.000 0.980 192 R CA -1.227 54.794 56.100 -0.132 0.000 0.891 192 R CB 3.167 33.350 30.300 -0.195 0.000 1.188 192 R HN -0.623 7.629 8.270 0.035 0.038 0.450 193 I N 4.049 124.444 120.570 -0.291 0.000 2.365 193 I HA 0.242 4.436 4.170 -0.216 -0.153 0.291 193 I C -0.341 175.477 176.117 -0.498 0.000 1.004 193 I CA -0.254 60.851 61.300 -0.325 0.000 1.311 193 I CB 0.948 38.733 38.000 -0.357 0.000 1.401 193 I HN 0.322 8.369 8.210 -0.270 0.000 0.491 194 Y N 6.630 126.801 120.300 -0.214 0.000 2.464 194 Y HA 0.222 4.739 4.550 -0.056 0.000 0.326 194 Y C -1.421 174.400 175.900 -0.131 0.000 0.969 194 Y CA -1.805 56.228 58.100 -0.111 0.000 1.270 194 Y CB 0.890 39.318 38.460 -0.054 0.000 1.103 194 Y HN 0.545 8.808 8.280 -0.029 0.000 0.491 195 Y N 4.678 125.044 120.300 0.111 0.000 2.336 195 Y HA 0.033 4.645 4.550 0.103 0.000 0.335 195 Y C 0.494 176.459 175.900 0.108 0.000 1.046 195 Y CA 0.748 58.905 58.100 0.095 0.000 1.198 195 Y CB 0.223 38.716 38.460 0.055 0.000 1.182 195 Y HN 0.612 8.980 8.280 0.146 0.000 0.502 196 Q N 4.028 124.004 119.800 0.293 0.000 2.462 196 Q HA 0.114 4.560 4.340 0.176 0.000 0.224 196 Q C 0.017 176.117 176.000 0.167 0.000 0.911 196 Q CA 0.769 56.692 55.803 0.199 0.000 0.925 196 Q CB 1.758 30.601 28.738 0.176 0.000 1.063 196 Q HN 0.581 9.056 8.270 0.343 0.000 0.572 197 N N -0.714 118.096 118.700 0.185 0.000 2.284 197 N HA 0.190 5.000 4.740 0.116 0.000 0.289 197 N C -2.161 173.424 175.510 0.125 0.000 1.179 197 N CA -0.244 52.891 53.050 0.142 0.000 0.774 197 N CB 2.829 41.406 38.487 0.150 0.000 1.548 197 N HN -0.495 8.025 8.380 0.233 0.000 0.473 198 R N -0.386 120.171 120.500 0.094 0.000 2.445 198 R HA 0.294 4.675 4.340 0.067 0.000 0.308 198 R C -0.545 175.828 176.300 0.120 0.000 0.961 198 R CA -0.732 55.416 56.100 0.080 0.000 0.862 198 R CB 1.507 31.834 30.300 0.046 0.000 1.144 198 R HN 0.144 8.468 8.270 0.090 0.000 0.447 199 I N 0.652 121.304 120.570 0.136 0.000 2.648 199 I HA 0.068 nan 4.170 nan 0.000 0.284 199 I C 0.498 176.708 176.117 0.154 0.000 1.153 199 I CA 0.584 61.986 61.300 0.170 0.000 1.426 199 I CB 0.667 38.709 38.000 0.070 0.000 1.381 199 I HN 0.183 8.461 8.210 0.114 0.000 0.571 200 D N 8.468 128.966 120.400 0.162 0.000 3.110 200 D HA 0.110 4.796 4.640 0.077 0.000 0.254 200 D C -1.195 175.158 176.300 0.089 0.000 1.283 200 D CA -1.325 52.739 54.000 0.106 0.000 0.944 200 D CB -1.394 39.463 40.800 0.095 0.000 1.066 200 D HN 0.299 8.798 8.370 0.215 0.000 0.496 201 K N -2.585 117.860 120.400 0.074 0.000 2.509 201 K HA 0.260 4.571 4.320 -0.014 0.000 0.266 201 K C -0.974 175.584 176.600 -0.071 0.000 0.987 201 K CA -2.731 53.570 56.287 0.022 0.000 0.868 201 K CB 3.221 35.769 32.500 0.079 0.000 1.421 201 K HN -0.742 7.491 8.250 0.101 0.078 0.444 202 L N -0.035 121.027 121.223 -0.269 0.000 2.417 202 L HA 0.054 4.125 4.340 -0.449 0.000 0.268 202 L C -1.332 175.397 176.870 -0.235 0.000 1.158 202 L CA 0.168 54.739 54.840 -0.448 0.000 0.819 202 L CB 0.390 41.936 42.059 -0.855 0.000 1.112 202 L HN 0.149 8.187 8.230 -0.320 0.000 0.458 203 H N -3.119 115.845 119.070 -0.177 0.000 2.917 203 H HA 0.203 4.652 4.556 -0.178 0.000 0.299 203 H C 0.109 175.326 175.328 -0.184 0.000 1.418 203 H CA -1.111 54.770 56.048 -0.279 0.000 1.138 203 H CB 2.013 31.306 29.762 -0.782 0.000 1.830 203 H HN -0.501 7.431 8.280 -0.581 0.000 0.514 204 T N -3.074 111.490 114.554 0.017 0.000 13.618 204 T HA -0.522 3.994 4.350 0.017 -0.156 0.415 204 T C 1.973 176.668 174.700 -0.008 0.000 1.445 204 T CA 2.919 65.044 62.100 0.041 0.000 2.324 204 T CB -1.640 67.303 68.868 0.126 0.000 2.756 204 T HN 0.664 8.872 8.240 -0.053 0.000 0.458 205 T N 1.016 115.558 114.554 -0.021 0.000 3.072 205 T HA -0.203 4.129 4.350 -0.030 0.000 0.266 205 T C 1.036 175.690 174.700 -0.077 0.000 1.127 205 T CA 2.218 64.293 62.100 -0.043 0.000 1.107 205 T CB -0.537 68.310 68.868 -0.035 0.000 0.910 205 T HN 0.354 8.596 8.240 0.004 0.000 0.513 206 R N -0.700 119.723 120.500 -0.128 0.000 2.393 206 R HA 0.208 4.483 4.340 -0.109 0.000 0.244 206 R C -0.647 175.601 176.300 -0.087 0.000 0.920 206 R CA -0.445 55.572 56.100 -0.139 0.000 1.076 206 R CB 0.428 30.597 30.300 -0.218 0.000 1.119 206 R HN -0.479 7.646 8.270 -0.165 0.046 0.524 207 S N -0.547 115.137 115.700 -0.027 0.000 2.554 207 S HA 0.043 4.670 4.470 0.262 0.000 0.278 207 S C 0.372 174.901 174.600 -0.119 0.000 1.242 207 S CA -0.777 57.469 58.200 0.077 0.000 1.051 207 S CB 2.189 65.470 63.200 0.135 0.000 0.986 207 S HN -0.689 7.526 8.310 -0.043 0.069 0.502 208 V N 2.246 121.946 119.914 -0.357 0.000 3.306 208 V HA 0.050 3.996 4.120 -0.289 0.000 0.264 208 V C 1.003 176.728 176.094 -0.614 0.000 1.149 208 V CA 0.880 62.876 62.300 -0.506 0.000 1.143 208 V CB -0.582 30.901 31.823 -0.567 0.000 0.767 208 V HN 0.094 8.065 8.190 -0.365 0.000 0.476 209 F N 3.611 123.394 119.950 -0.277 0.000 2.444 209 F HA 0.251 4.779 4.527 0.003 0.000 0.360 209 F C 0.223 175.909 175.800 -0.190 0.000 1.106 209 F CA -0.253 57.562 58.000 -0.309 0.000 1.170 209 F CB -0.268 38.447 39.000 -0.475 0.000 1.113 209 F HN -0.488 nan 8.300 nan 0.000 0.521 210 D N 5.496 125.878 120.400 -0.030 0.000 2.620 210 D HA 0.283 4.921 4.640 -0.003 0.000 0.252 210 D C -0.907 175.399 176.300 0.010 0.000 1.207 210 D CA -0.293 53.700 54.000 -0.012 0.000 0.884 210 D CB 2.314 43.100 40.800 -0.023 0.000 1.262 210 D HN 0.097 nan 8.370 nan 0.000 0.552 211 V N -3.652 116.280 119.914 0.031 0.000 3.276 211 V HA 0.222 4.368 4.120 0.045 0.000 0.319 211 V C -0.122 176.017 176.094 0.075 0.000 1.427 211 V CA -0.915 61.419 62.300 0.056 0.000 1.102 211 V CB 0.308 32.177 31.823 0.076 0.000 1.020 211 V HN 0.141 8.353 8.190 0.037 0.000 0.456 212 R N 1.710 122.246 120.500 0.059 0.000 2.585 212 R HA -0.338 4.043 4.340 0.069 0.000 0.275 212 R C 1.186 177.515 176.300 0.048 0.000 1.018 212 R CA 1.900 58.034 56.100 0.057 0.000 1.072 212 R CB -0.388 29.938 30.300 0.042 0.000 0.953 212 R HN -0.740 7.793 8.270 0.049 -0.234 0.419 213 G N 3.119 111.949 108.800 0.050 0.000 2.258 213 G HA2 -0.439 3.544 3.960 0.038 0.000 0.233 213 G HA3 -0.439 3.545 3.960 0.040 0.000 0.233 213 G C -0.579 174.350 174.900 0.049 0.000 1.006 213 G CA -0.243 44.883 45.100 0.043 0.000 0.620 213 G HN 0.529 8.852 8.290 0.055 0.000 0.511 214 L N 0.556 121.815 121.223 0.060 0.000 2.439 214 L HA 0.025 4.399 4.340 0.055 0.000 0.269 214 L C -0.459 176.452 176.870 0.068 0.000 1.179 214 L CA 0.262 55.141 54.840 0.065 0.000 0.828 214 L CB 0.510 42.617 42.059 0.079 0.000 1.106 214 L HN -0.580 7.616 8.230 0.065 0.073 0.467 215 T N -4.657 109.933 114.554 0.060 0.000 3.111 215 T HA 0.163 4.549 4.350 0.059 0.000 0.284 215 T C -0.770 173.964 174.700 0.057 0.000 0.983 215 T CA -0.345 61.788 62.100 0.055 0.000 0.900 215 T CB 0.698 69.591 68.868 0.042 0.000 1.132 215 T HN -0.090 8.183 8.240 0.055 0.000 0.531 216 S N -1.302 114.437 115.700 0.065 0.000 2.588 216 S HA 0.322 5.027 4.470 0.068 -0.194 0.269 216 S C -2.136 172.512 174.600 0.081 0.000 1.157 216 S CA -1.128 57.112 58.200 0.067 0.000 0.824 216 S CB 2.658 65.891 63.200 0.054 0.000 1.126 216 S HN -0.650 7.701 8.310 0.068 0.000 0.464 217 L N -0.459 120.815 121.223 0.086 0.000 2.350 217 L HA 0.520 4.911 4.340 0.085 0.000 0.260 217 L C -2.196 174.719 176.870 0.074 0.000 1.015 217 L CA -2.772 52.123 54.840 0.091 0.000 0.821 217 L CB 1.492 43.629 42.059 0.130 0.000 1.370 217 L HN 0.282 8.560 8.230 0.080 0.000 0.416 218 P HA -0.018 4.437 4.420 0.059 0.000 0.266 218 P C -1.479 175.861 177.300 0.066 0.000 1.195 218 P CA -0.045 63.092 63.100 0.061 0.000 0.768 218 P CB 0.402 32.136 31.700 0.057 0.000 0.838 219 K N 3.402 123.841 120.400 0.065 0.000 2.297 219 K HA 0.078 nan 4.320 nan 0.000 0.286 219 K C -1.486 175.154 176.600 0.066 0.000 1.053 219 K CA 0.051 56.378 56.287 0.066 0.000 0.940 219 K CB 0.495 33.034 32.500 0.066 0.000 1.019 219 K HN 0.393 8.681 8.250 0.062 0.000 0.475 220 V N 5.843 125.797 119.914 0.068 0.000 2.525 220 V HA 0.529 4.912 4.120 0.067 -0.223 0.299 220 V C -1.185 174.947 176.094 0.062 0.000 1.034 220 V CA -1.664 60.677 62.300 0.069 0.000 0.863 220 V CB 2.619 34.490 31.823 0.080 0.000 0.999 220 V HN 0.295 8.526 8.190 0.069 0.000 0.423 221 D N 7.268 127.699 120.400 0.052 0.000 2.326 221 D HA 0.408 nan 4.640 nan 0.000 0.248 221 D C -1.631 174.693 176.300 0.041 0.000 1.001 221 D CA -1.524 52.498 54.000 0.037 0.000 0.961 221 D CB 3.347 44.154 40.800 0.013 0.000 1.183 221 D HN -0.207 8.194 8.370 0.052 0.000 0.502 222 I N -0.368 120.224 120.570 0.037 0.000 2.389 222 I HA 0.674 5.120 4.170 0.064 -0.237 0.288 222 I C -0.237 175.906 176.117 0.044 0.000 0.999 222 I CA -1.055 60.277 61.300 0.053 0.000 1.129 222 I CB 1.704 39.743 38.000 0.065 0.000 1.288 222 I HN 0.117 8.345 8.210 0.029 0.000 0.444 223 L N 6.748 128.002 121.223 0.052 0.000 2.341 223 L HA 0.426 4.794 4.340 0.047 0.000 0.278 223 L C -1.305 175.677 176.870 0.186 0.000 1.005 223 L CA -1.485 53.385 54.840 0.049 0.000 0.818 223 L CB 2.882 44.831 42.059 -0.183 0.000 1.259 223 L HN 0.339 8.612 8.230 0.072 0.000 0.418 224 Y N 3.898 124.254 120.300 0.094 0.000 2.301 224 Y HA -0.045 4.511 4.550 0.010 0.000 0.328 224 Y C 0.324 176.385 175.900 0.268 0.000 1.242 224 Y CA 0.532 58.709 58.100 0.129 0.000 1.323 224 Y CB 1.669 40.209 38.460 0.133 0.000 1.266 224 Y HN 0.271 8.753 8.280 0.337 0.000 0.527 225 G N 3.961 112.681 108.800 -0.134 0.000 2.416 225 G HA2 0.328 4.192 3.960 -0.160 0.000 0.324 225 G HA3 0.328 4.400 3.960 0.187 0.000 0.324 225 G C -2.970 171.994 174.900 0.107 0.000 1.194 225 G CA -0.873 44.230 45.100 0.006 0.000 0.922 225 G HN 0.186 8.088 8.290 -0.648 0.000 0.467 226 Y N -2.433 117.893 120.300 0.045 0.000 2.741 226 Y HA 0.159 4.722 4.550 0.022 0.000 0.339 226 Y C -2.265 173.674 175.900 0.065 0.000 1.226 226 Y CA -2.297 55.839 58.100 0.061 0.000 1.072 226 Y CB 0.504 39.053 38.460 0.148 0.000 1.331 226 Y HN -0.249 7.944 8.280 -0.145 0.000 0.453 227 Q N 2.285 122.192 119.800 0.178 0.000 2.315 227 Q HA -0.149 4.205 4.340 0.024 0.000 0.289 227 Q C -0.009 176.020 176.000 0.048 0.000 1.044 227 Q CA 2.137 57.988 55.803 0.081 0.000 0.920 227 Q CB 0.069 28.870 28.738 0.104 0.000 1.214 227 Q HN 0.166 8.582 8.270 0.243 0.000 0.392 228 D N -2.434 117.943 120.400 -0.039 0.000 3.076 228 D HA -0.258 4.355 4.640 -0.045 0.000 0.218 228 D C -0.673 175.508 176.300 -0.199 0.000 1.156 228 D CA 0.973 54.944 54.000 -0.049 0.000 0.921 228 D CB -1.026 39.809 40.800 0.059 0.000 1.113 228 D HN 0.270 8.617 8.370 -0.038 0.000 0.418 229 D N -1.432 118.670 120.400 -0.498 0.000 2.488 229 D HA -0.052 3.905 4.640 -1.137 0.000 0.238 229 D C -1.457 174.651 176.300 -0.320 0.000 1.138 229 D CA -0.766 52.770 54.000 -0.772 0.000 0.873 229 D CB -0.155 40.156 40.800 -0.815 0.000 1.183 229 D HN -0.648 7.409 8.370 -0.445 0.046 0.458 230 P HA 0.272 4.556 4.420 -0.228 0.000 0.293 230 P C 0.205 177.358 177.300 -0.245 0.000 1.291 230 P CA -0.847 62.042 63.100 -0.351 0.000 0.867 230 P CB 2.310 33.484 31.700 -0.877 0.000 1.074 231 E N 1.781 121.903 120.200 -0.130 0.000 2.153 231 E HA -0.355 nan 4.350 nan 0.000 0.194 231 E C 1.799 178.451 176.600 0.086 0.000 0.988 231 E CA 3.552 59.961 56.400 0.015 0.000 0.811 231 E CB -0.406 29.300 29.700 0.009 0.000 0.746 231 E HN 0.598 8.890 8.360 -0.112 0.000 0.466 232 Y N -4.773 115.604 120.300 0.129 0.000 2.421 232 Y HA -0.220 nan 4.550 nan 0.000 0.292 232 Y C 0.583 176.547 175.900 0.108 0.000 1.136 232 Y CA 1.066 59.230 58.100 0.106 0.000 1.255 232 Y CB -1.473 37.032 38.460 0.074 0.000 0.991 232 Y HN -0.076 7.989 8.280 -0.301 0.034 0.552 233 L N -0.816 120.388 121.223 -0.032 0.000 2.141 233 L HA -0.406 4.000 4.340 0.110 0.000 0.209 233 L C 1.998 178.842 176.870 -0.044 0.000 1.094 233 L CA 2.518 57.351 54.840 -0.011 0.000 0.763 233 L CB -0.693 41.276 42.059 -0.149 0.000 0.908 233 L HN -0.540 7.466 8.230 -0.323 0.030 0.437 234 Y N -1.317 118.988 120.300 0.008 0.000 2.181 234 Y HA -0.535 4.032 4.550 0.027 0.000 0.288 234 Y C 2.162 178.094 175.900 0.053 0.000 1.146 234 Y CA 3.827 61.939 58.100 0.020 0.000 1.164 234 Y CB -0.817 37.631 38.460 -0.020 0.000 0.982 234 Y HN -0.714 7.676 8.280 0.183 0.000 0.515 235 D N -1.485 119.051 120.400 0.227 0.000 2.123 235 D HA -0.400 4.330 4.640 0.150 0.000 0.196 235 D C 1.970 178.370 176.300 0.166 0.000 0.992 235 D CA 3.260 57.363 54.000 0.172 0.000 0.833 235 D CB -0.687 40.214 40.800 0.167 0.000 0.954 235 D HN -0.691 7.829 8.370 0.249 0.000 0.455 236 A N -0.444 122.486 122.820 0.184 0.000 1.877 236 A HA -0.280 4.192 4.320 0.253 0.000 0.216 236 A C 1.912 179.640 177.584 0.240 0.000 1.186 236 A CA 2.975 55.142 52.037 0.218 0.000 0.620 236 A CB -0.676 18.427 19.000 0.171 0.000 0.822 236 A HN -0.195 8.070 8.150 0.191 0.000 0.443 237 A N -0.480 122.419 122.820 0.131 0.000 1.883 237 A HA -0.310 4.075 4.320 0.108 0.000 0.217 237 A C 2.040 179.709 177.584 0.141 0.000 1.186 237 A CA 2.895 54.999 52.037 0.110 0.000 0.624 237 A CB -0.553 18.468 19.000 0.035 0.000 0.822 237 A HN -0.548 7.660 8.150 0.096 0.000 0.444 238 I N -1.693 118.953 120.570 0.126 0.000 2.163 238 I HA -0.611 3.613 4.170 0.091 0.000 0.243 238 I C 2.749 178.916 176.117 0.083 0.000 1.085 238 I CA 4.018 65.378 61.300 0.100 0.000 1.347 238 I CB -0.149 37.907 38.000 0.092 0.000 1.044 238 I HN -0.372 7.916 8.210 0.130 0.000 0.408 239 Q N -1.048 118.804 119.800 0.087 0.000 2.234 239 Q HA -0.326 4.002 4.340 -0.020 0.000 0.206 239 Q C 1.873 177.804 176.000 -0.116 0.000 0.980 239 Q CA 2.844 58.643 55.803 -0.007 0.000 0.869 239 Q CB -0.019 28.712 28.738 -0.011 0.000 0.912 239 Q HN -0.254 8.086 8.270 0.118 0.000 0.436 240 H N -3.656 115.436 119.070 0.036 0.000 2.524 240 H HA 0.058 4.631 4.556 0.030 0.000 0.280 240 H C -0.220 175.128 175.328 0.032 0.000 1.018 240 H CA -0.183 55.884 56.048 0.032 0.000 1.165 240 H CB -0.265 29.516 29.762 0.032 0.000 1.411 240 H HN -0.682 7.715 8.280 0.251 0.033 0.569 241 G N -0.218 108.638 108.800 0.094 0.000 2.137 241 G HA2 -0.331 3.665 3.960 0.061 0.000 0.237 241 G HA3 -0.331 3.659 3.960 0.050 0.000 0.237 241 G C -0.077 174.868 174.900 0.075 0.000 1.002 241 G CA 0.279 45.419 45.100 0.068 0.000 0.702 241 G HN -0.452 7.818 8.290 0.081 0.068 0.515 242 V N -4.889 115.077 119.914 0.086 0.000 2.763 242 V HA -0.135 4.117 4.120 0.072 -0.089 0.306 242 V C -0.933 175.199 176.094 0.063 0.000 1.059 242 V CA 0.160 62.504 62.300 0.074 0.000 1.138 242 V CB -0.009 31.858 31.823 0.072 0.000 0.940 242 V HN -0.879 7.371 8.190 0.100 0.000 0.489 243 K N 2.467 122.903 120.400 0.060 0.000 2.323 243 K HA 0.110 4.461 4.320 0.052 0.000 0.197 243 K C -0.015 176.619 176.600 0.057 0.000 1.043 243 K CA 1.488 57.809 56.287 0.056 0.000 0.997 243 K CB 1.341 33.875 32.500 0.055 0.000 0.807 243 K HN 0.255 8.542 8.250 0.062 0.000 0.497 244 G N -3.720 105.117 108.800 0.061 0.000 2.659 244 G HA2 0.750 4.748 3.960 0.064 0.000 0.296 244 G HA3 0.750 4.943 3.960 0.055 -0.201 0.296 244 G C -2.796 172.143 174.900 0.064 0.000 1.369 244 G CA -0.580 44.556 45.100 0.061 0.000 0.937 244 G HN -0.700 7.628 8.290 0.063 0.000 0.485 245 I N 0.982 121.591 120.570 0.066 0.000 2.466 245 I HA 0.585 4.981 4.170 0.064 -0.188 0.289 245 I C -1.546 174.622 176.117 0.086 0.000 1.026 245 I CA -0.996 60.349 61.300 0.074 0.000 1.078 245 I CB 3.907 41.960 38.000 0.089 0.000 1.249 245 I HN 0.406 8.652 8.210 0.061 0.000 0.429 246 V N 7.208 127.178 119.914 0.094 0.000 2.407 246 V HA 0.413 4.776 4.120 0.103 -0.181 0.278 246 V C -1.458 174.732 176.094 0.160 0.000 1.037 246 V CA -1.809 60.558 62.300 0.112 0.000 0.900 246 V CB 0.928 32.816 31.823 0.107 0.000 0.983 246 V HN 0.549 8.790 8.190 0.084 0.000 0.459 247 Y N 9.359 129.677 120.300 0.031 0.000 2.353 247 Y HA 0.410 5.154 4.550 0.031 -0.175 0.340 247 Y C -2.254 173.650 175.900 0.007 0.000 0.972 247 Y CA -2.754 55.366 58.100 0.033 0.000 1.157 247 Y CB 2.045 40.544 38.460 0.065 0.000 1.157 247 Y HN 0.630 9.057 8.280 0.245 0.000 0.495 248 A N 9.590 132.205 122.820 -0.342 0.000 2.922 248 A HA 0.208 4.340 4.320 -0.314 0.000 0.298 248 A C -1.139 175.918 177.584 -0.877 0.000 1.588 248 A CA -1.354 50.424 52.037 -0.432 0.000 1.288 248 A CB -1.331 17.562 19.000 -0.178 0.000 1.130 248 A HN 0.496 8.540 8.150 -0.177 0.000 0.557 249 G N 0.715 108.911 108.800 -1.007 0.000 2.572 249 G HA2 0.216 3.621 3.960 -0.925 0.000 0.261 249 G HA3 0.216 3.018 3.960 -1.930 0.000 0.261 249 G C -1.247 173.352 174.900 -0.501 0.000 1.197 249 G CA -1.751 42.650 45.100 -1.165 0.000 0.870 249 G HN -0.554 7.261 8.290 -0.699 0.056 0.548 250 M N 2.811 122.249 119.600 -0.270 0.000 2.252 250 M HA -0.244 4.145 4.480 -0.152 0.000 0.348 250 M C 1.283 177.540 176.300 -0.071 0.000 1.334 250 M CA 1.705 56.933 55.300 -0.119 0.000 1.071 250 M CB -0.084 32.504 32.600 -0.020 0.000 1.763 250 M HN -0.303 7.862 8.290 -0.209 0.000 0.452 251 G N 2.841 111.602 108.800 -0.065 0.000 2.634 251 G HA2 -0.452 3.497 3.960 -0.019 0.000 0.309 251 G HA3 -0.452 3.487 3.960 -0.035 0.000 0.309 251 G C -0.459 174.422 174.900 -0.032 0.000 1.265 251 G CA 0.736 45.815 45.100 -0.036 0.000 0.998 251 G HN 0.461 8.706 8.290 -0.075 0.000 0.551 252 A N 3.769 126.586 122.820 -0.004 0.000 3.118 252 A HA -0.006 4.317 4.320 0.004 0.000 0.256 252 A C -0.424 177.179 177.584 0.033 0.000 1.667 252 A CA -1.259 50.784 52.037 0.010 0.000 1.338 252 A CB -1.215 17.796 19.000 0.017 0.000 1.127 252 A HN 0.360 8.510 8.150 0.001 0.000 0.634 253 G N -0.609 108.207 108.800 0.028 0.000 2.198 253 G HA2 -0.452 3.580 3.960 0.120 0.000 0.260 253 G HA3 -0.452 3.714 3.960 0.093 -0.151 0.260 253 G C -0.332 174.695 174.900 0.211 0.000 1.025 253 G CA 0.264 45.434 45.100 0.116 0.000 0.769 253 G HN -0.330 7.876 8.290 -0.016 0.074 0.507 254 S N -0.853 114.932 115.700 0.142 0.000 2.585 254 S HA 0.251 nan 4.470 nan 0.000 0.273 254 S C -0.904 173.810 174.600 0.190 0.000 1.339 254 S CA 0.058 58.328 58.200 0.118 0.000 1.028 254 S CB 1.281 64.515 63.200 0.056 0.000 0.906 254 S HN -0.041 8.292 8.310 0.085 0.028 0.528 255 V N 2.347 122.301 119.914 0.065 0.000 2.577 255 V HA 0.387 4.523 4.120 0.027 0.000 0.303 255 V C 0.409 176.470 176.094 -0.053 0.000 1.042 255 V CA -1.544 60.736 62.300 -0.032 0.000 0.872 255 V CB 2.506 34.206 31.823 -0.204 0.000 0.998 255 V HN 0.153 8.361 8.190 0.029 0.000 0.423 256 S N 5.836 121.502 115.700 -0.058 0.000 2.617 256 S HA 0.041 4.481 4.470 -0.049 0.000 0.259 256 S C 1.441 175.979 174.600 -0.103 0.000 1.301 256 S CA -0.384 57.775 58.200 -0.068 0.000 0.984 256 S CB 1.386 64.544 63.200 -0.070 0.000 0.954 256 S HN 0.272 8.557 8.310 -0.041 0.000 0.572 257 V N -1.770 118.093 119.914 -0.084 0.000 2.469 257 V HA -0.322 3.740 4.120 -0.097 0.000 0.251 257 V C 1.156 177.177 176.094 -0.122 0.000 1.064 257 V CA 3.089 65.334 62.300 -0.092 0.000 1.066 257 V CB -0.460 31.324 31.823 -0.064 0.000 0.667 257 V HN 0.302 8.452 8.190 -0.067 0.000 0.461 258 R N 0.566 120.992 120.500 -0.123 0.000 2.073 258 R HA -0.234 4.029 4.340 -0.128 0.000 0.229 258 R C 2.411 178.566 176.300 -0.241 0.000 1.120 258 R CA 3.237 59.251 56.100 -0.143 0.000 0.967 258 R CB -0.423 29.812 30.300 -0.109 0.000 0.862 258 R HN -0.720 7.467 8.270 -0.106 0.019 0.436 259 G N -0.469 108.178 108.800 -0.256 0.000 2.422 259 G HA2 -0.255 3.488 3.960 -0.362 0.000 0.218 259 G HA3 -0.255 3.368 3.960 -0.562 0.000 0.218 259 G C 0.843 175.400 174.900 -0.573 0.000 1.146 259 G CA 1.710 46.542 45.100 -0.446 0.000 0.769 259 G HN -0.301 7.874 8.290 -0.192 0.000 0.547 260 I N 1.751 122.104 120.570 -0.361 0.000 2.226 260 I HA -0.460 nan 4.170 nan 0.000 0.245 260 I C 0.956 176.892 176.117 -0.301 0.000 1.100 260 I CA 3.036 64.155 61.300 -0.302 0.000 1.374 260 I CB -0.022 37.861 38.000 -0.196 0.000 1.057 260 I HN -0.062 7.978 8.210 -0.283 0.000 0.413 261 A N -1.299 121.360 122.820 -0.268 0.000 1.908 261 A HA -0.329 3.888 4.320 -0.173 0.000 0.218 261 A C 2.087 179.499 177.584 -0.287 0.000 1.181 261 A CA 3.400 55.305 52.037 -0.219 0.000 0.627 261 A CB -1.017 17.892 19.000 -0.152 0.000 0.818 261 A HN -0.471 7.530 8.150 -0.248 0.000 0.445 262 G N -2.382 106.112 108.800 -0.509 0.000 2.402 262 G HA2 -0.336 2.925 3.960 -1.165 0.000 0.216 262 G HA3 -0.336 3.443 3.960 -0.303 0.000 0.216 262 G C 1.354 175.897 174.900 -0.596 0.000 1.162 262 G CA 1.712 46.414 45.100 -0.663 0.000 0.777 262 G HN -0.309 7.640 8.290 -0.568 0.000 0.539 263 M N 1.773 120.946 119.600 -0.711 0.000 2.159 263 M HA -0.450 3.913 4.480 -0.196 0.000 0.263 263 M C 2.221 178.415 176.300 -0.177 0.000 1.063 263 M CA 4.157 59.258 55.300 -0.332 0.000 1.110 263 M CB -0.158 32.250 32.600 -0.320 0.000 1.374 263 M HN -0.159 7.608 8.290 -0.872 0.000 0.411 264 R N -1.241 119.146 120.500 -0.189 0.000 2.092 264 R HA -0.338 3.946 4.340 -0.094 0.000 0.231 264 R C 2.288 178.542 176.300 -0.076 0.000 1.119 264 R CA 3.573 59.605 56.100 -0.113 0.000 0.970 264 R CB -0.325 29.909 30.300 -0.110 0.000 0.864 264 R HN -0.155 7.969 8.270 -0.244 0.000 0.440 265 K N 0.243 120.596 120.400 -0.079 0.000 2.057 265 K HA -0.213 4.092 4.320 -0.025 0.000 0.207 265 K C 1.857 178.456 176.600 -0.001 0.000 1.049 265 K CA 2.229 58.498 56.287 -0.030 0.000 0.931 265 K CB -0.548 31.943 32.500 -0.014 0.000 0.714 265 K HN -0.475 7.706 8.250 -0.115 0.000 0.440 266 A N -0.862 121.965 122.820 0.011 0.000 1.883 266 A HA -0.310 4.046 4.320 0.059 0.000 0.217 266 A C 2.034 179.630 177.584 0.020 0.000 1.186 266 A CA 3.173 55.237 52.037 0.045 0.000 0.624 266 A CB -0.613 18.442 19.000 0.092 0.000 0.822 266 A HN -0.440 7.704 8.150 -0.010 0.000 0.444 267 L N -1.808 119.412 121.223 -0.005 0.000 2.046 267 L HA -0.304 4.194 4.340 -0.001 -0.159 0.208 267 L C 3.126 179.993 176.870 -0.005 0.000 1.077 267 L CA 2.560 57.395 54.840 -0.009 0.000 0.747 267 L CB -0.259 41.784 42.059 -0.026 0.000 0.896 267 L HN -0.102 8.116 8.230 -0.019 0.000 0.432 268 E N 0.472 120.666 120.200 -0.009 0.000 2.118 268 E HA -0.288 4.058 4.350 -0.008 0.000 0.195 268 E C 1.314 177.916 176.600 0.004 0.000 0.992 268 E CA 2.638 59.034 56.400 -0.006 0.000 0.804 268 E CB -0.032 29.662 29.700 -0.010 0.000 0.741 268 E HN -0.373 7.977 8.360 -0.016 0.000 0.458 269 K N -4.093 116.314 120.400 0.011 0.000 2.437 269 K HA 0.139 4.468 4.320 0.014 0.000 0.198 269 K C 0.254 176.867 176.600 0.021 0.000 1.024 269 K CA -1.393 54.905 56.287 0.018 0.000 1.148 269 K CB -0.150 32.365 32.500 0.025 0.000 0.860 269 K HN -0.597 7.530 8.250 0.012 0.130 0.515 270 G N -1.706 107.105 108.800 0.017 0.000 2.157 270 G HA2 -0.302 3.670 3.960 0.020 0.000 0.248 270 G HA3 -0.302 3.668 3.960 0.015 0.000 0.248 270 G C -0.134 174.782 174.900 0.026 0.000 0.979 270 G CA 0.064 45.176 45.100 0.019 0.000 0.650 270 G HN -0.554 7.567 8.290 0.013 0.176 0.529 271 V N 0.940 120.872 119.914 0.030 0.000 2.732 271 V HA -0.069 4.197 4.120 0.041 -0.121 0.297 271 V C -0.063 176.049 176.094 0.029 0.000 1.060 271 V CA -0.527 61.796 62.300 0.038 0.000 1.038 271 V CB 0.718 32.572 31.823 0.053 0.000 1.003 271 V HN -0.408 7.746 8.190 0.029 0.053 0.481 272 V N 5.989 125.921 119.914 0.031 0.000 2.432 272 V HA 0.026 4.150 4.120 0.007 0.000 0.275 272 V C -1.528 174.575 176.094 0.015 0.000 1.043 272 V CA -1.063 61.247 62.300 0.016 0.000 0.925 272 V CB 0.312 32.147 31.823 0.020 0.000 0.985 272 V HN 0.088 8.300 8.190 0.038 0.000 0.466 273 V N 8.200 128.112 119.914 -0.002 0.000 2.398 273 V HA 0.392 4.688 4.120 0.032 -0.156 0.286 273 V C -1.335 174.736 176.094 -0.038 0.000 1.026 273 V CA -1.676 60.627 62.300 0.005 0.000 0.868 273 V CB 1.518 33.343 31.823 0.003 0.000 0.982 273 V HN 0.493 8.675 8.190 -0.012 0.000 0.443 274 M N 9.082 128.665 119.600 -0.030 0.000 2.134 274 M HA 0.429 4.810 4.480 -0.166 0.000 0.310 274 M C -2.707 173.601 176.300 0.014 0.000 0.966 274 M CA -1.910 53.327 55.300 -0.106 0.000 0.922 274 M CB 3.008 35.481 32.600 -0.211 0.000 1.537 274 M HN 0.834 9.134 8.290 0.017 0.000 0.424 275 R N 7.435 127.950 120.500 0.025 0.000 2.196 275 R HA 0.267 4.784 4.340 0.294 0.000 0.340 275 R C -1.112 175.236 176.300 0.079 0.000 1.043 275 R CA -0.281 55.912 56.100 0.155 0.000 0.883 275 R CB 0.155 30.552 30.300 0.162 0.000 1.078 275 R HN 0.584 8.725 8.270 -0.034 0.108 0.462 276 S N 1.802 117.539 115.700 0.061 0.000 2.618 276 S HA 0.379 4.871 4.470 0.036 0.000 0.284 276 S C -1.898 172.651 174.600 -0.084 0.000 1.102 276 S CA -1.761 56.446 58.200 0.011 0.000 0.984 276 S CB 1.607 64.828 63.200 0.034 0.000 1.280 276 S HN 0.292 8.651 8.310 0.081 0.000 0.525 277 T N -1.950 112.540 114.554 -0.106 0.000 2.933 277 T HA 0.347 4.763 4.350 -0.233 -0.206 0.305 277 T C -0.063 174.531 174.700 -0.177 0.000 1.092 277 T CA -1.514 60.490 62.100 -0.159 0.000 1.008 277 T CB 2.037 70.857 68.868 -0.080 0.000 1.102 277 T HN 0.097 8.298 8.240 -0.066 0.000 0.469 278 R N 5.141 125.482 120.500 -0.264 0.000 2.299 278 R HA 0.100 4.347 4.340 -0.155 0.000 0.197 278 R C 1.316 177.557 176.300 -0.097 0.000 0.971 278 R CA 1.909 57.874 56.100 -0.225 0.000 1.030 278 R CB -0.082 29.913 30.300 -0.508 0.000 0.932 278 R HN 0.535 8.509 8.270 -0.324 0.101 0.477 279 T N -1.980 112.521 114.554 -0.089 0.000 2.821 279 T HA -0.116 4.207 4.350 -0.045 0.000 0.267 279 T C 0.971 175.651 174.700 -0.033 0.000 1.046 279 T CA 1.931 64.000 62.100 -0.051 0.000 1.139 279 T CB 0.347 69.187 68.868 -0.046 0.000 0.871 279 T HN -0.508 7.597 8.240 -0.103 0.072 0.454 280 G N 0.578 109.357 108.800 -0.035 0.000 2.336 280 G HA2 -0.201 3.740 3.960 -0.032 0.000 0.194 280 G HA3 -0.201 3.739 3.960 -0.033 0.000 0.194 280 G C -1.225 173.657 174.900 -0.030 0.000 0.999 280 G CA -0.427 44.654 45.100 -0.032 0.000 0.669 280 G HN 0.324 8.589 8.290 -0.041 0.000 0.482 281 N N 0.352 119.036 118.700 -0.027 0.000 2.710 281 N HA 0.167 4.894 4.740 -0.021 0.000 0.257 281 N C -1.606 173.894 175.510 -0.017 0.000 1.327 281 N CA 0.079 53.114 53.050 -0.025 0.000 0.861 281 N CB 3.026 41.491 38.487 -0.037 0.000 1.532 281 N HN -0.663 7.700 8.380 -0.028 0.000 0.499 282 G N -1.173 107.619 108.800 -0.013 0.000 2.631 282 G HA2 -0.238 3.717 3.960 -0.009 0.000 0.504 282 G HA3 -0.238 3.714 3.960 -0.014 0.000 0.504 282 G C -1.827 173.086 174.900 0.022 0.000 1.306 282 G CA -0.658 44.439 45.100 -0.005 0.000 0.897 282 G HN 0.180 8.460 8.290 -0.017 0.000 0.520 283 I N 0.069 120.656 120.570 0.028 0.000 2.331 283 I HA 0.075 4.454 4.170 0.077 -0.163 0.292 283 I C 0.222 176.372 176.117 0.055 0.000 0.998 283 I CA -2.390 58.944 61.300 0.056 0.000 1.267 283 I CB 0.184 38.218 38.000 0.055 0.000 1.386 283 I HN 0.047 8.267 8.210 0.017 0.000 0.476 284 V N 9.429 129.388 119.914 0.075 0.000 2.353 284 V HA 0.367 4.518 4.120 0.052 0.000 0.264 284 V C -1.930 174.219 176.094 0.092 0.000 1.049 284 V CA -3.234 59.107 62.300 0.068 0.000 0.896 284 V CB 0.025 31.886 31.823 0.063 0.000 1.025 284 V HN 0.152 8.397 8.190 0.091 0.000 0.475 285 P HA 0.383 4.866 4.420 0.105 0.000 0.279 285 P C -2.038 175.311 177.300 0.082 0.000 1.252 285 P CA -2.697 60.452 63.100 0.082 0.000 0.811 285 P CB -0.720 31.011 31.700 0.050 0.000 1.035 286 P HA 0.049 4.518 4.420 0.081 0.000 0.268 286 P C -1.582 175.745 177.300 0.044 0.000 1.208 286 P CA 0.380 63.526 63.100 0.077 0.000 0.777 286 P CB 0.327 32.078 31.700 0.085 0.000 0.875 287 D N 1.292 121.711 120.400 0.032 0.000 2.354 287 D HA -0.010 4.640 4.640 0.017 0.000 0.230 287 D C 0.208 176.513 176.300 0.008 0.000 1.361 287 D CA -0.416 53.594 54.000 0.018 0.000 0.992 287 D CB 0.777 41.586 40.800 0.015 0.000 1.409 287 D HN -0.241 8.148 8.370 0.033 0.000 0.573 288 E N 3.791 123.994 120.200 0.006 0.000 2.511 288 E HA -0.077 4.272 4.350 -0.001 0.000 0.196 288 E C 0.436 177.031 176.600 -0.008 0.000 1.066 288 E CA 0.508 56.908 56.400 -0.000 0.000 0.871 288 E CB -0.197 29.504 29.700 0.002 0.000 0.863 288 E HN 0.389 8.754 8.360 0.008 0.000 0.520 289 E N -2.552 117.642 120.200 -0.009 0.000 2.489 289 E HA 0.020 4.359 4.350 -0.017 0.000 0.193 289 E C -0.094 176.491 176.600 -0.025 0.000 1.057 289 E CA 0.295 56.685 56.400 -0.016 0.000 0.866 289 E CB 0.565 30.257 29.700 -0.014 0.000 0.916 289 E HN -0.409 8.165 8.360 -0.005 -0.218 0.500 290 L N 0.153 121.361 121.223 -0.025 0.000 2.330 290 L HA 0.448 4.758 4.340 -0.050 0.000 0.271 290 L C -2.450 174.393 176.870 -0.045 0.000 1.013 290 L CA -3.201 51.616 54.840 -0.039 0.000 0.816 290 L CB 1.178 43.219 42.059 -0.030 0.000 1.287 290 L HN -0.842 7.320 8.230 -0.017 0.057 0.435 291 P HA 0.054 4.441 4.420 -0.055 0.000 0.274 291 P C -0.647 176.616 177.300 -0.062 0.000 1.246 291 P CA -0.083 62.977 63.100 -0.068 0.000 0.795 291 P CB 0.735 32.377 31.700 -0.095 0.000 1.006 292 G N -2.122 106.646 108.800 -0.052 0.000 2.756 292 G HA2 -0.273 3.656 3.960 -0.051 0.000 0.678 292 G HA3 -0.273 3.658 3.960 -0.049 0.000 0.678 292 G C -1.104 173.766 174.900 -0.050 0.000 1.349 292 G CA -0.535 44.535 45.100 -0.050 0.000 0.847 292 G HN -0.133 8.128 8.290 -0.049 0.000 0.548 293 L N -1.195 119.981 121.223 -0.078 0.000 2.469 293 L HA 0.361 4.715 4.340 -0.075 -0.059 0.253 293 L C 0.232 177.036 176.870 -0.110 0.000 1.143 293 L CA -0.595 54.178 54.840 -0.111 0.000 0.804 293 L CB 1.436 43.378 42.059 -0.196 0.000 1.214 293 L HN 0.100 8.279 8.230 -0.085 0.000 0.476 294 V N -6.156 113.688 119.914 -0.117 0.000 2.769 294 V HA 0.649 4.900 4.120 -0.042 -0.157 0.312 294 V C -0.686 175.345 176.094 -0.105 0.000 1.061 294 V CA -2.695 59.569 62.300 -0.059 0.000 0.931 294 V CB 3.011 34.855 31.823 0.035 0.000 1.010 294 V HN 0.020 8.451 8.190 -0.127 -0.317 0.433 295 S N -0.270 115.429 115.700 -0.001 0.000 2.605 295 S HA 0.055 4.597 4.470 0.121 0.000 0.217 295 S C 0.193 174.953 174.600 0.266 0.000 0.958 295 S CA 0.019 58.306 58.200 0.144 0.000 0.919 295 S CB 1.302 64.606 63.200 0.174 0.000 0.780 295 S HN 0.005 8.332 8.310 0.028 0.000 0.507 296 D N 1.368 121.888 120.400 0.200 0.000 3.528 296 D HA -0.461 4.338 4.640 0.265 0.000 0.163 296 D C -0.426 175.986 176.300 0.187 0.000 1.069 296 D CA 2.512 56.662 54.000 0.250 0.000 1.082 296 D CB -1.062 39.934 40.800 0.327 0.000 0.538 296 D HN -0.694 7.710 8.370 0.159 0.061 0.579 297 S N 0.216 116.025 115.700 0.181 0.000 2.597 297 S HA 0.311 5.081 4.470 0.103 -0.237 0.224 297 S C 0.320 175.004 174.600 0.140 0.000 0.955 297 S CA 0.053 58.331 58.200 0.130 0.000 0.933 297 S CB 0.075 63.336 63.200 0.100 0.000 0.788 297 S HN 0.154 8.588 8.310 0.206 0.000 0.488 298 L N 3.722 125.049 121.223 0.173 0.000 2.360 298 L HA -0.031 4.390 4.340 0.136 0.000 0.276 298 L C -0.654 176.303 176.870 0.145 0.000 1.121 298 L CA 0.498 55.437 54.840 0.164 0.000 0.845 298 L CB 0.260 42.443 42.059 0.206 0.000 1.143 298 L HN -0.604 7.686 8.230 0.210 0.066 0.452 299 N N 3.818 122.579 118.700 0.102 0.000 2.347 299 N HA 0.120 4.878 4.740 0.031 0.000 0.253 299 N C -0.313 175.224 175.510 0.044 0.000 1.274 299 N CA -1.715 51.353 53.050 0.030 0.000 0.941 299 N CB -0.779 37.680 38.487 -0.047 0.000 1.200 299 N HN -0.126 8.329 8.380 0.124 0.000 0.514 300 P HA -0.259 4.205 4.420 0.074 0.000 0.215 300 P C 0.687 178.024 177.300 0.061 0.000 1.153 300 P CA 3.268 66.395 63.100 0.046 0.000 0.853 300 P CB -0.120 31.596 31.700 0.026 0.000 0.788 301 A N -3.245 119.570 122.820 -0.010 0.000 1.902 301 A HA -0.308 4.037 4.320 0.042 0.000 0.217 301 A C 1.805 179.446 177.584 0.094 0.000 1.181 301 A CA 2.714 54.749 52.037 -0.002 0.000 0.623 301 A CB -0.739 18.200 19.000 -0.101 0.000 0.818 301 A HN 0.132 8.303 8.150 -0.055 -0.054 0.443 302 H N -1.309 117.791 119.070 0.050 0.000 2.357 302 H HA -0.322 nan 4.556 nan 0.000 0.301 302 H C 2.240 177.667 175.328 0.165 0.000 1.082 302 H CA 2.375 58.450 56.048 0.045 0.000 1.342 302 H CB 0.247 29.855 29.762 -0.257 0.000 1.389 302 H HN -0.257 8.273 8.280 -0.097 -0.308 0.511 303 A N -0.863 122.140 122.820 0.306 0.000 1.908 303 A HA -0.426 4.206 4.320 0.520 0.000 0.218 303 A C 1.405 179.209 177.584 0.366 0.000 1.181 303 A CA 3.624 55.919 52.037 0.429 0.000 0.627 303 A CB -0.727 18.518 19.000 0.408 0.000 0.818 303 A HN 0.356 8.657 8.150 0.252 0.000 0.445 304 R N -1.709 118.935 120.500 0.239 0.000 2.083 304 R HA -0.335 4.113 4.340 0.180 0.000 0.237 304 R C 1.980 178.372 176.300 0.153 0.000 1.137 304 R CA 3.422 59.631 56.100 0.181 0.000 0.951 304 R CB -0.024 30.357 30.300 0.135 0.000 0.851 304 R HN -0.449 7.948 8.270 0.212 0.000 0.434 305 I N -0.975 119.695 120.570 0.168 0.000 2.127 305 I HA -0.321 3.893 4.170 0.074 0.000 0.241 305 I C 2.293 178.327 176.117 -0.138 0.000 1.075 305 I CA 2.472 63.815 61.300 0.071 0.000 1.334 305 I CB -1.257 36.846 38.000 0.171 0.000 1.040 305 I HN -0.635 7.706 8.210 0.219 0.000 0.405 306 L N -0.376 120.781 121.223 -0.111 0.000 2.083 306 L HA -0.263 3.650 4.340 -0.712 0.000 0.209 306 L C 1.990 178.744 176.870 -0.194 0.000 1.083 306 L CA 3.282 57.878 54.840 -0.408 0.000 0.752 306 L CB -0.465 41.260 42.059 -0.558 0.000 0.899 306 L HN -0.466 7.814 8.230 0.082 0.000 0.433 307 L N -0.682 120.648 121.223 0.178 0.000 2.056 307 L HA -0.368 4.188 4.340 0.359 0.000 0.207 307 L C 1.638 178.550 176.870 0.071 0.000 1.078 307 L CA 3.095 58.084 54.840 0.249 0.000 0.749 307 L CB -0.370 41.849 42.059 0.268 0.000 0.901 307 L HN -0.125 8.262 8.230 0.262 0.000 0.433 308 M N -1.516 118.093 119.600 0.015 0.000 2.080 308 M HA -0.506 nan 4.480 nan 0.000 0.260 308 M C 2.470 178.713 176.300 -0.094 0.000 1.068 308 M CA 4.438 59.732 55.300 -0.009 0.000 1.109 308 M CB -0.020 32.587 32.600 0.012 0.000 1.342 308 M HN -0.398 7.911 8.290 0.031 0.000 0.405 309 L N -2.642 118.407 121.223 -0.291 0.000 2.093 309 L HA -0.303 3.858 4.340 -0.297 0.000 0.208 309 L C 2.552 179.266 176.870 -0.260 0.000 1.085 309 L CA 2.430 57.007 54.840 -0.438 0.000 0.755 309 L CB -0.498 41.005 42.059 -0.927 0.000 0.904 309 L HN -0.482 7.544 8.230 -0.340 0.000 0.435 310 A N 0.273 122.956 122.820 -0.229 0.000 1.917 310 A HA -0.316 4.245 4.320 0.401 0.000 0.219 310 A C 2.041 179.758 177.584 0.222 0.000 1.182 310 A CA 2.961 55.117 52.037 0.199 0.000 0.633 310 A CB -0.683 18.541 19.000 0.374 0.000 0.819 310 A HN 0.204 8.153 8.150 -0.335 0.000 0.448 311 L N -5.073 116.221 121.223 0.119 0.000 2.456 311 L HA -0.012 4.618 4.340 0.121 -0.218 0.224 311 L C 1.358 178.280 176.870 0.086 0.000 1.148 311 L CA 1.212 56.114 54.840 0.103 0.000 0.825 311 L CB -0.240 41.866 42.059 0.078 0.000 0.937 311 L HN -0.299 7.962 8.230 0.077 0.015 0.450 312 T N -4.404 110.195 114.554 0.075 0.000 3.085 312 T HA -0.175 4.211 4.350 0.060 0.000 0.263 312 T C 0.912 175.664 174.700 0.085 0.000 1.127 312 T CA 2.318 64.458 62.100 0.068 0.000 1.103 312 T CB -0.007 68.889 68.868 0.047 0.000 0.921 312 T HN -0.452 7.673 8.240 0.061 0.151 0.510 313 R N -1.576 119.001 120.500 0.128 0.000 2.257 313 R HA 0.258 4.650 4.340 0.086 0.000 0.195 313 R C -0.010 176.364 176.300 0.124 0.000 0.921 313 R CA 0.612 56.788 56.100 0.126 0.000 1.069 313 R CB 2.483 32.886 30.300 0.172 0.000 1.115 313 R HN -0.186 8.004 8.270 0.157 0.174 0.571 314 T N -1.880 112.760 114.554 0.143 0.000 2.830 314 T HA 0.205 4.602 4.350 0.078 0.000 0.322 314 T C -1.801 172.955 174.700 0.094 0.000 1.501 314 T CA -0.838 61.326 62.100 0.107 0.000 1.036 314 T CB 1.463 70.396 68.868 0.108 0.000 1.379 314 T HN -0.560 7.776 8.240 0.161 0.000 0.493 315 S N 1.375 117.111 115.700 0.060 0.000 2.650 315 S HA 0.323 nan 4.470 nan 0.000 0.240 315 S C -0.167 174.451 174.600 0.029 0.000 1.007 315 S CA -1.144 57.086 58.200 0.050 0.000 0.984 315 S CB 0.095 63.320 63.200 0.040 0.000 0.910 315 S HN 0.327 8.666 8.310 0.049 0.000 0.509 316 D N 5.070 125.480 120.400 0.017 0.000 2.338 316 D HA 0.380 nan 4.640 nan 0.000 0.255 316 D C -0.821 175.468 176.300 -0.018 0.000 1.237 316 D CA -1.959 52.038 54.000 -0.005 0.000 0.883 316 D CB 1.224 42.013 40.800 -0.019 0.000 1.087 316 D HN -0.556 7.828 8.370 0.024 0.000 0.485 317 P HA -0.288 4.122 4.420 -0.018 0.000 0.216 317 P C 1.012 178.293 177.300 -0.030 0.000 1.150 317 P CA 2.054 65.142 63.100 -0.020 0.000 0.837 317 P CB 0.293 31.983 31.700 -0.018 0.000 0.786 318 K N -2.218 118.165 120.400 -0.030 0.000 2.057 318 K HA -0.282 4.033 4.320 -0.009 0.000 0.207 318 K C 2.281 178.841 176.600 -0.067 0.000 1.049 318 K CA 3.317 59.588 56.287 -0.027 0.000 0.931 318 K CB -0.175 32.315 32.500 -0.017 0.000 0.714 318 K HN -0.573 7.920 8.250 -0.026 -0.258 0.440 319 V N -0.320 119.518 119.914 -0.125 0.000 2.295 319 V HA -0.419 3.536 4.120 -0.275 0.000 0.246 319 V C 2.092 177.899 176.094 -0.477 0.000 1.049 319 V CA 3.892 66.012 62.300 -0.300 0.000 1.024 319 V CB -0.429 31.218 31.823 -0.294 0.000 0.648 319 V HN -0.806 7.679 8.190 -0.097 -0.353 0.447 320 I N -1.050 119.383 120.570 -0.228 0.000 2.226 320 I HA -0.611 3.582 4.170 0.038 0.000 0.245 320 I C 1.891 178.099 176.117 0.152 0.000 1.100 320 I CA 4.260 65.568 61.300 0.012 0.000 1.374 320 I CB -0.570 37.501 38.000 0.118 0.000 1.057 320 I HN -0.412 7.712 8.210 -0.144 0.000 0.413 321 Q N -0.224 119.595 119.800 0.032 0.000 2.084 321 Q HA -0.383 3.950 4.340 -0.012 0.000 0.202 321 Q C 1.981 178.037 176.000 0.092 0.000 0.978 321 Q CA 3.002 58.820 55.803 0.025 0.000 0.844 321 Q CB -0.527 28.213 28.738 0.004 0.000 0.898 321 Q HN -0.041 8.220 8.270 -0.015 0.000 0.426 322 E N -0.208 120.057 120.200 0.109 0.000 2.106 322 E HA -0.255 4.271 4.350 0.293 0.000 0.192 322 E C 2.576 179.374 176.600 0.331 0.000 0.984 322 E CA 2.106 58.626 56.400 0.200 0.000 0.806 322 E CB -0.584 29.179 29.700 0.105 0.000 0.750 322 E HN -0.662 7.718 8.360 0.033 0.000 0.458 323 Y N -0.528 119.961 120.300 0.314 0.000 2.128 323 Y HA -0.317 4.570 4.550 0.562 0.000 0.284 323 Y C 2.504 178.597 175.900 0.322 0.000 1.154 323 Y CA 1.256 59.604 58.100 0.413 0.000 1.149 323 Y CB -0.735 37.932 38.460 0.345 0.000 0.976 323 Y HN -0.422 7.955 8.280 0.161 0.000 0.505 324 F N -5.100 115.009 119.950 0.265 0.000 2.365 324 F HA -0.350 4.299 4.527 0.203 0.000 0.300 324 F C 0.892 176.735 175.800 0.071 0.000 1.090 324 F CA 3.559 61.625 58.000 0.110 0.000 1.408 324 F CB -0.268 38.704 39.000 -0.048 0.000 1.060 324 F HN -0.677 8.007 8.300 0.639 0.000 0.534 325 H N -6.262 113.009 119.070 0.335 0.000 2.548 325 H HA 0.322 5.216 4.556 0.212 -0.212 0.265 325 H C 0.667 176.095 175.328 0.167 0.000 0.969 325 H CA 0.782 56.961 56.048 0.220 0.000 1.155 325 H CB 0.637 30.500 29.762 0.168 0.000 1.394 325 H HN -0.669 7.632 8.280 0.256 0.133 0.570 326 T N -3.989 110.734 114.554 0.281 0.000 2.969 326 T HA 0.077 4.476 4.350 0.082 0.000 0.258 326 T C -0.816 173.838 174.700 -0.076 0.000 0.962 326 T CA 0.635 62.791 62.100 0.095 0.000 0.903 326 T CB 1.617 70.511 68.868 0.044 0.000 1.177 326 T HN -0.509 7.764 8.240 0.341 0.172 0.511 327 Y N 0.000 120.382 120.300 0.136 0.000 2.660 327 Y HA 0.000 4.628 4.550 0.130 0.000 0.201 327 Y CA 0.000 58.174 58.100 0.124 0.000 1.940 327 Y CB 0.000 38.513 38.460 0.088 0.000 1.050 327 Y HN 0.000 8.494 8.280 0.357 0.000 0.758