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 2a31_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcAAN SIPYQVSLNX XSGSHFcGGS LINSQWVVSA AHcYKSRIQV DATA SEQUENCE RLXGEHNIDV LEGNEQFINA AKIITHPNFN GNTLDNDIML IKLSSPATLN DATA SEQUENCE SRVATVSLPR XScAAXAGTE cLISGWGNTK SSGSSYPSLL QcLKAPVLSD DATA SEQUENCE SScKSSYPGQ ITGNMIcVFL EGKDScQGDS GGPVVcNGQX XXXLQGIVSW DATA SEQUENCE GYXGcQKNKP GVYTKVcNYV NWIQQTIAAN 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 16 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 16 I C 0.000 176.084 176.117 -0.054 0.000 1.063 16 I CA 0.000 61.272 61.300 -0.047 0.000 1.566 16 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 17 V N 6.194 126.095 119.914 -0.022 0.000 2.439 17 V HA 0.166 4.424 4.120 -0.043 -0.163 0.282 17 V C 0.811 176.897 176.094 -0.013 0.000 1.039 17 V CA -1.399 60.887 62.300 -0.024 0.000 0.913 17 V CB 0.750 32.568 31.823 -0.009 0.000 0.983 17 V HN 0.917 9.111 8.190 0.008 0.000 0.460 18 G N 6.965 115.750 108.800 -0.025 0.000 2.143 18 G HA2 -0.396 3.548 3.960 -0.027 0.000 0.248 18 G HA3 -0.396 3.938 3.960 -0.043 -0.399 0.248 18 G C -1.288 173.609 174.900 -0.005 0.000 0.991 18 G CA 0.542 45.626 45.100 -0.027 0.000 0.689 18 G HN 0.724 8.995 8.290 -0.030 0.000 0.522 19 G N -1.576 107.219 108.800 -0.007 0.000 2.736 19 G HA2 0.515 4.525 3.960 0.083 0.000 0.229 19 G HA3 0.515 4.503 3.960 -0.115 -0.097 0.229 19 G C -1.775 173.167 174.900 0.069 0.000 1.380 19 G CA -1.770 43.329 45.100 -0.002 0.000 1.040 19 G HN -0.643 7.596 8.290 -0.032 0.032 0.568 20 Y N -6.146 114.132 120.300 -0.035 0.000 2.615 20 Y HA 0.401 4.934 4.550 -0.029 0.000 0.341 20 Y C -1.873 174.008 175.900 -0.032 0.000 1.089 20 Y CA -2.210 55.872 58.100 -0.030 0.000 1.049 20 Y CB 1.512 39.958 38.460 -0.023 0.000 1.296 20 Y HN 0.481 8.423 8.280 -0.562 0.000 0.470 21 T N 4.011 118.619 114.554 0.090 0.000 2.779 21 T HA 0.048 4.463 4.350 -0.093 -0.121 0.296 21 T C -0.017 174.743 174.700 0.101 0.000 0.938 21 T CA 1.002 63.117 62.100 0.027 0.000 1.119 21 T CB 0.087 69.004 68.868 0.082 0.000 0.891 21 T HN -0.002 8.337 8.240 0.166 0.000 0.526 22 c N 7.613 126.196 118.600 -0.029 0.000 2.679 22 c HA -0.171 4.460 4.570 0.102 0.000 0.417 22 c C -0.001 174.119 174.090 0.050 0.000 1.302 22 c CA -0.280 56.059 56.329 0.017 0.000 1.973 22 c CB -0.214 42.234 42.510 -0.103 0.000 2.715 22 c HN 0.236 8.397 8.230 -0.114 0.000 0.628 23 A N 2.816 125.641 122.820 0.008 0.000 2.511 23 A HA -0.127 4.149 4.320 -0.074 0.000 0.242 23 A C -0.107 177.275 177.584 -0.336 0.000 1.069 23 A CA 0.225 52.201 52.037 -0.102 0.000 0.763 23 A CB 0.620 19.591 19.000 -0.050 0.000 1.001 23 A HN 0.386 8.574 8.150 0.064 0.000 0.498 24 A N 3.759 126.236 122.820 -0.572 0.000 2.566 24 A HA -0.299 2.872 4.320 -1.914 0.000 0.245 24 A C -0.565 176.801 177.584 -0.363 0.000 1.056 24 A CA 0.943 52.462 52.037 -0.862 0.000 0.757 24 A CB -0.300 18.408 19.000 -0.486 0.000 0.979 24 A HN 0.445 8.367 8.150 -0.380 0.000 0.508 25 N N -0.529 118.013 118.700 -0.263 0.000 2.741 25 N HA -0.433 4.270 4.740 -0.061 0.000 0.251 25 N C 0.590 176.033 175.510 -0.112 0.000 1.112 25 N CA 1.710 54.696 53.050 -0.108 0.000 0.750 25 N CB -0.955 37.500 38.487 -0.052 0.000 1.119 25 N HN 0.534 8.726 8.380 -0.314 0.000 0.561 26 S N -1.561 114.055 115.700 -0.140 0.000 2.562 26 S HA -0.116 4.314 4.470 -0.067 0.000 0.221 26 S C -0.316 174.209 174.600 -0.126 0.000 0.975 26 S CA 2.201 60.342 58.200 -0.098 0.000 0.918 26 S CB 0.578 63.734 63.200 -0.072 0.000 0.772 26 S HN -0.048 8.093 8.310 -0.192 0.053 0.531 27 I N 1.574 122.008 120.570 -0.227 0.000 2.859 27 I HA 0.428 4.289 4.170 -0.514 0.000 0.296 27 I C -1.370 174.410 176.117 -0.561 0.000 1.300 27 I CA -3.915 57.087 61.300 -0.497 0.000 1.020 27 I CB -0.657 37.040 38.000 -0.506 0.000 1.823 27 I HN -0.131 7.889 8.210 -0.196 0.073 0.599 28 P HA 0.101 4.558 4.420 -0.086 -0.088 0.233 28 P C 0.515 177.780 177.300 -0.057 0.000 1.167 28 P CA 1.570 64.599 63.100 -0.118 0.000 0.770 28 P CB -0.206 31.492 31.700 -0.003 0.000 0.837 29 Y N -5.303 115.028 120.300 0.051 0.000 2.523 29 Y HA 0.370 5.087 4.550 0.066 -0.127 0.279 29 Y C -0.288 175.658 175.900 0.076 0.000 1.139 29 Y CA -2.694 55.442 58.100 0.060 0.000 1.296 29 Y CB -1.383 37.105 38.460 0.048 0.000 1.045 29 Y HN -0.356 7.397 8.280 -0.790 0.054 0.538 30 Q N 2.744 122.408 119.800 -0.227 0.000 2.313 30 Q HA 0.162 4.709 4.340 0.105 -0.145 0.266 30 Q C 0.017 176.111 176.000 0.157 0.000 0.989 30 Q CA 0.203 55.995 55.803 -0.018 0.000 0.890 30 Q CB 0.888 29.512 28.738 -0.190 0.000 1.200 30 Q HN -0.446 7.305 8.270 -0.591 0.164 0.396 31 V N 1.438 121.484 119.914 0.220 0.000 2.919 31 V HA 0.739 5.114 4.120 0.231 -0.117 0.316 31 V C -1.838 174.433 176.094 0.294 0.000 1.077 31 V CA -3.362 59.070 62.300 0.221 0.000 0.977 31 V CB 3.393 35.285 31.823 0.115 0.000 1.039 31 V HN 0.450 8.762 8.190 0.203 0.000 0.441 32 S N 1.356 117.128 115.700 0.121 0.000 2.437 32 S HA 0.443 5.149 4.470 0.196 -0.119 0.305 32 S C -0.740 173.745 174.600 -0.192 0.000 1.109 32 S CA -2.001 56.188 58.200 -0.018 0.000 1.099 32 S CB 1.140 64.104 63.200 -0.394 0.000 1.004 32 S HN 0.209 8.543 8.310 0.041 0.000 0.475 33 L N 6.784 127.771 121.223 -0.393 0.000 2.276 33 L HA 0.552 4.837 4.340 -0.324 -0.140 0.286 33 L C -1.317 175.142 176.870 -0.686 0.000 1.061 33 L CA -0.875 53.617 54.840 -0.579 0.000 0.807 33 L CB 0.576 42.108 42.059 -0.879 0.000 1.177 33 L HN 0.804 8.764 8.230 -0.450 0.000 0.429 38 G N 2.088 110.858 108.800 -0.050 0.000 2.349 38 G HA2 -0.174 3.751 3.960 -0.058 0.000 0.213 38 G HA3 -0.174 3.751 3.960 -0.058 0.000 0.213 38 G C -0.899 173.971 174.900 -0.050 0.000 1.044 38 G CA -0.099 44.967 45.100 -0.056 0.000 0.633 38 G HN 0.192 8.792 8.290 -0.052 -0.342 0.506 39 S N 0.173 115.856 115.700 -0.028 0.000 2.607 39 S HA 0.298 4.740 4.470 -0.047 0.000 0.273 39 S C -1.751 172.858 174.600 0.014 0.000 1.148 39 S CA -0.991 57.195 58.200 -0.022 0.000 0.833 39 S CB 3.148 66.334 63.200 -0.024 0.000 1.130 39 S HN -0.557 7.601 8.310 -0.002 0.150 0.470 40 H N 3.148 122.150 119.070 -0.114 0.000 3.034 40 H HA -0.284 4.294 4.556 -0.232 -0.161 0.324 40 H C -0.058 175.262 175.328 -0.014 0.000 1.015 40 H CA 1.697 57.653 56.048 -0.153 0.000 1.429 40 H CB 0.005 29.634 29.762 -0.222 0.000 1.429 40 H HN 0.592 8.897 8.280 0.042 0.000 0.585 41 F N 1.093 120.603 119.950 -0.734 0.000 2.876 41 F HA 0.355 4.700 4.527 -0.302 0.000 0.344 41 F C -1.767 173.756 175.800 -0.462 0.000 1.029 41 F CA -0.461 57.262 58.000 -0.462 0.000 1.154 41 F CB 1.889 40.739 39.000 -0.250 0.000 1.040 41 F HN 0.206 7.780 8.300 -1.210 0.000 0.576 42 c N -1.338 116.510 118.600 -1.254 0.000 3.312 42 c HA 0.284 4.768 4.570 -0.218 -0.045 0.332 42 c C -1.576 172.288 174.090 -0.378 0.000 1.340 42 c CA -0.055 55.912 56.329 -0.604 0.000 1.265 42 c CB 4.119 46.320 42.510 -0.514 0.000 1.563 42 c HN -0.733 6.441 8.230 -1.761 0.000 0.471 43 G N -0.665 108.126 108.800 -0.015 0.000 2.535 43 G HA2 0.721 4.993 3.960 0.231 0.000 0.303 43 G HA3 0.721 4.798 3.960 0.195 0.000 0.303 43 G C -2.313 172.606 174.900 0.033 0.000 1.237 43 G CA -1.264 43.911 45.100 0.126 0.000 0.986 43 G HN 0.811 9.000 8.290 0.004 0.104 0.494 44 G N -3.900 104.959 108.800 0.099 0.000 2.550 44 G HA2 0.492 4.799 3.960 0.086 0.000 0.293 44 G HA3 0.492 4.491 3.960 0.065 0.000 0.293 44 G C -2.947 172.045 174.900 0.154 0.000 1.402 44 G CA 0.319 45.476 45.100 0.095 0.000 0.784 44 G HN -0.620 7.767 8.290 0.161 0.000 0.482 45 S N -0.668 115.129 115.700 0.162 0.000 2.557 45 S HA 0.853 5.720 4.470 0.292 -0.221 0.291 45 S C -1.417 173.293 174.600 0.183 0.000 1.116 45 S CA -0.848 57.483 58.200 0.218 0.000 0.992 45 S CB 3.790 67.100 63.200 0.184 0.000 1.028 45 S HN 0.466 8.858 8.310 0.136 0.000 0.484 46 L N 6.538 127.886 121.223 0.208 0.000 2.315 46 L HA 0.185 4.747 4.340 0.159 -0.127 0.283 46 L C -1.005 175.955 176.870 0.150 0.000 1.089 46 L CA 0.025 54.968 54.840 0.171 0.000 0.833 46 L CB 0.852 43.010 42.059 0.165 0.000 1.170 46 L HN 0.574 8.853 8.230 0.266 0.111 0.442 47 I N 0.480 121.133 120.570 0.138 0.000 4.147 47 I HA 0.568 4.781 4.170 0.070 0.000 0.329 47 I C -1.412 174.765 176.117 0.100 0.000 1.424 47 I CA -1.341 60.017 61.300 0.095 0.000 1.127 47 I CB 1.005 39.046 38.000 0.069 0.000 1.128 47 I HN 0.256 8.567 8.210 0.167 0.000 0.417 48 N N -0.011 118.779 118.700 0.150 0.000 2.859 48 N HA 0.076 4.884 4.740 0.112 0.000 0.250 48 N C -0.244 175.362 175.510 0.160 0.000 1.341 48 N CA 0.057 53.203 53.050 0.160 0.000 0.881 48 N CB 2.680 41.306 38.487 0.232 0.000 1.516 48 N HN -0.795 7.691 8.380 0.177 0.000 0.503 49 S N 1.748 117.523 115.700 0.126 0.000 2.419 49 S HA -0.348 4.171 4.470 0.082 0.000 0.235 49 S C 0.503 175.144 174.600 0.069 0.000 1.019 49 S CA 3.266 61.520 58.200 0.091 0.000 0.982 49 S CB -0.055 63.184 63.200 0.066 0.000 0.789 49 S HN 0.563 8.942 8.310 0.115 0.000 0.490 50 Q N -2.066 117.791 119.800 0.096 0.000 2.247 50 Q HA 0.245 4.516 4.340 -0.115 0.000 0.211 50 Q C -1.509 174.322 176.000 -0.281 0.000 0.861 50 Q CA -0.217 55.532 55.803 -0.090 0.000 0.949 50 Q CB 1.749 30.404 28.738 -0.139 0.000 1.115 50 Q HN -0.252 8.457 8.270 0.206 -0.315 0.507 51 W N -1.857 119.449 121.300 0.010 0.000 3.097 51 W HA 0.624 5.499 4.660 0.005 -0.212 0.335 51 W C -1.567 174.966 176.519 0.023 0.000 1.114 51 W CA -0.827 56.522 57.345 0.006 0.000 1.231 51 W CB 3.528 32.979 29.460 -0.015 0.000 1.388 51 W HN -0.238 7.982 8.180 0.271 0.122 0.485 52 V N 1.919 121.990 119.914 0.263 0.000 2.581 52 V HA 0.755 5.172 4.120 0.178 -0.190 0.303 52 V C -1.886 174.333 176.094 0.208 0.000 1.041 52 V CA -1.715 60.698 62.300 0.188 0.000 0.907 52 V CB 3.651 35.542 31.823 0.113 0.000 0.994 52 V HN 0.948 9.288 8.190 0.249 0.000 0.442 53 V N 5.617 125.631 119.914 0.166 0.000 2.513 53 V HA 0.937 5.341 4.120 0.182 -0.175 0.299 53 V C -2.100 174.064 176.094 0.116 0.000 1.035 53 V CA -2.837 59.556 62.300 0.154 0.000 0.889 53 V CB 2.616 34.525 31.823 0.144 0.000 0.988 53 V HN 0.653 8.935 8.190 0.154 0.000 0.440 54 S N 7.111 122.869 115.700 0.098 0.000 2.998 54 S HA 0.527 5.239 4.470 0.050 -0.212 0.321 54 S C -2.174 172.426 174.600 0.001 0.000 1.171 54 S CA -2.187 56.039 58.200 0.043 0.000 0.882 54 S CB 2.491 65.701 63.200 0.017 0.000 1.301 54 S HN 0.797 9.181 8.310 0.123 0.000 0.629 55 A N -0.684 122.092 122.820 -0.073 0.000 2.312 55 A HA 0.451 4.874 4.320 -0.105 -0.166 0.326 55 A C 0.451 177.892 177.584 -0.238 0.000 1.172 55 A CA -1.885 50.062 52.037 -0.149 0.000 0.821 55 A CB 1.574 20.449 19.000 -0.208 0.000 1.166 55 A HN 0.268 8.361 8.150 -0.095 0.000 0.493 56 A N 5.143 127.741 122.820 -0.370 0.000 1.972 56 A HA -0.253 3.886 4.320 -0.301 0.000 0.219 56 A C 1.244 178.523 177.584 -0.509 0.000 1.169 56 A CA 2.782 54.459 52.037 -0.600 0.000 0.635 56 A CB -0.249 17.963 19.000 -1.314 0.000 0.810 56 A HN 0.539 8.551 8.150 -0.364 -0.081 0.446 57 H N -5.399 113.460 119.070 -0.351 0.000 2.559 57 H HA -0.024 4.551 4.556 0.033 0.000 0.273 57 H C 0.402 175.769 175.328 0.065 0.000 1.000 57 H CA 1.783 57.814 56.048 -0.029 0.000 1.195 57 H CB -0.838 28.999 29.762 0.126 0.000 1.368 57 H HN -0.045 8.379 8.280 -0.256 -0.297 0.592 58 c N -0.582 117.841 118.600 -0.294 0.000 2.578 58 c HA 0.034 4.626 4.570 0.035 0.000 0.285 58 c C -0.799 173.349 174.090 0.095 0.000 1.297 58 c CA -0.258 56.044 56.329 -0.044 0.000 1.690 58 c CB -2.389 40.085 42.510 -0.060 0.000 1.773 58 c HN -0.478 7.352 8.230 -0.384 0.170 0.594 59 Y N 2.950 123.226 120.300 -0.039 0.000 2.620 59 Y HA -0.233 4.323 4.550 0.009 0.000 0.330 59 Y C -0.977 174.884 175.900 -0.065 0.000 1.186 59 Y CA 1.879 59.965 58.100 -0.023 0.000 1.467 59 Y CB 0.611 39.053 38.460 -0.030 0.000 1.262 59 Y HN -0.434 7.753 8.280 0.127 0.169 0.550 60 K N 7.759 127.589 120.400 -0.951 0.000 2.477 60 K HA 0.168 4.079 4.320 -0.682 0.000 0.255 60 K C -1.289 174.653 176.600 -1.097 0.000 0.952 60 K CA -1.599 54.163 56.287 -0.874 0.000 0.826 60 K CB 1.863 33.962 32.500 -0.668 0.000 1.331 60 K HN 0.034 7.678 8.250 -1.010 0.000 0.437 61 S N -0.822 114.512 115.700 -0.611 0.000 2.461 61 S HA -0.218 4.078 4.470 -0.290 0.000 0.228 61 S C -0.390 174.092 174.600 -0.196 0.000 1.005 61 S CA 1.758 59.780 58.200 -0.298 0.000 0.942 61 S CB 0.540 63.717 63.200 -0.039 0.000 0.776 61 S HN 0.315 8.379 8.310 -0.411 0.000 0.514 62 R N -0.118 120.256 120.500 -0.209 0.000 2.575 62 R HA 0.231 4.510 4.340 -0.101 0.000 0.293 62 R C -2.381 173.842 176.300 -0.128 0.000 0.983 62 R CA -0.675 55.345 56.100 -0.134 0.000 0.887 62 R CB 2.693 32.930 30.300 -0.105 0.000 1.184 62 R HN -0.317 7.768 8.270 -0.268 0.024 0.445 63 I N 1.216 121.744 120.570 -0.070 0.000 2.607 63 I HA 0.177 4.380 4.170 0.054 0.000 0.290 63 I C -2.302 173.797 176.117 -0.029 0.000 1.129 63 I CA -1.038 60.262 61.300 -0.000 0.000 1.042 63 I CB 4.088 42.111 38.000 0.038 0.000 1.242 63 I HN 0.300 8.470 8.210 -0.068 0.000 0.421 64 Q N 6.204 125.980 119.800 -0.041 0.000 2.290 64 Q HA 0.352 4.651 4.340 -0.068 0.000 0.259 64 Q C -1.496 174.430 176.000 -0.123 0.000 0.941 64 Q CA -1.532 54.218 55.803 -0.089 0.000 0.912 64 Q CB 2.701 31.357 28.738 -0.137 0.000 1.244 64 Q HN 0.568 8.832 8.270 -0.011 0.000 0.441 65 V N 8.315 128.172 119.914 -0.094 0.000 2.432 65 V HA 0.131 4.301 4.120 -0.114 -0.118 0.275 65 V C -1.154 174.888 176.094 -0.086 0.000 1.043 65 V CA 0.040 62.289 62.300 -0.086 0.000 0.925 65 V CB 0.748 32.550 31.823 -0.036 0.000 0.985 65 V HN 0.893 8.945 8.190 -0.065 0.099 0.466 66 R N 6.788 127.215 120.500 -0.121 0.000 2.288 66 R HA 0.592 5.148 4.340 0.090 -0.162 0.326 66 R C -0.894 175.444 176.300 0.064 0.000 0.959 66 R CA -1.218 54.842 56.100 -0.067 0.000 0.834 66 R CB 1.127 31.211 30.300 -0.360 0.000 1.157 66 R HN 0.840 9.017 8.270 -0.154 0.000 0.470 70 E N -0.406 119.928 120.200 0.223 0.000 2.343 70 E HA 0.060 4.532 4.350 0.204 0.000 0.269 70 E C -1.427 175.435 176.600 0.436 0.000 1.047 70 E CA -0.128 56.431 56.400 0.265 0.000 0.874 70 E CB 1.186 30.966 29.700 0.133 0.000 1.033 70 E HN -0.484 7.987 8.360 0.239 0.033 0.409 71 H N 3.410 122.632 119.070 0.255 0.000 2.162 71 H HA 0.089 4.862 4.556 0.363 0.000 0.228 71 H C -0.792 174.745 175.328 0.348 0.000 0.941 71 H CA 1.356 57.575 56.048 0.285 0.000 1.213 71 H CB 3.211 33.055 29.762 0.136 0.000 1.318 71 H HN -0.001 8.721 8.280 0.309 -0.257 0.496 72 N N 0.745 119.503 118.700 0.098 0.000 2.415 72 N HA 0.122 5.076 4.740 -0.026 -0.230 0.246 72 N C 1.842 177.336 175.510 -0.026 0.000 1.078 72 N CA -0.981 52.072 53.050 0.005 0.000 0.942 72 N CB 0.073 38.566 38.487 0.009 0.000 1.140 72 N HN -0.437 8.827 8.380 0.193 -0.768 0.501 73 I N 0.335 120.803 120.570 -0.170 0.000 3.291 73 I HA -0.078 4.240 4.170 -0.262 -0.305 0.279 73 I C -0.480 175.538 176.117 -0.165 0.000 1.294 73 I CA 1.469 62.571 61.300 -0.331 0.000 1.428 73 I CB -0.471 37.063 38.000 -0.778 0.000 1.070 73 I HN 0.215 8.329 8.210 -0.159 0.000 0.478 74 D N -2.158 118.190 120.400 -0.087 0.000 2.369 74 D HA 0.108 4.722 4.640 -0.044 0.000 0.211 74 D C -0.715 175.582 176.300 -0.004 0.000 1.077 74 D CA 0.647 54.624 54.000 -0.040 0.000 0.842 74 D CB 1.866 42.650 40.800 -0.028 0.000 0.947 74 D HN -0.204 8.336 8.370 -0.079 -0.217 0.509 75 V N -0.165 119.753 119.914 0.008 0.000 2.638 75 V HA 0.042 4.174 4.120 0.020 0.000 0.306 75 V C -1.810 174.305 176.094 0.035 0.000 1.052 75 V CA -1.362 60.951 62.300 0.022 0.000 0.885 75 V CB 3.196 35.031 31.823 0.021 0.000 0.999 75 V HN -0.707 7.471 8.190 0.000 0.013 0.424 76 L N 7.629 128.867 121.223 0.025 0.000 2.433 76 L HA -0.086 4.460 4.340 0.007 -0.202 0.284 76 L C 0.217 177.082 176.870 -0.008 0.000 1.120 76 L CA 0.091 54.929 54.840 -0.003 0.000 0.879 76 L CB -0.490 41.547 42.059 -0.037 0.000 1.232 76 L HN 0.450 8.693 8.230 0.020 0.000 0.454 77 E N 6.499 126.702 120.200 0.005 0.000 2.476 77 E HA 0.093 4.453 4.350 0.016 0.000 0.199 77 E C 0.286 176.886 176.600 -0.001 0.000 1.021 77 E CA 0.153 56.564 56.400 0.018 0.000 0.907 77 E CB 0.501 30.235 29.700 0.056 0.000 0.974 77 E HN 0.493 9.330 8.360 0.017 -0.467 0.489 78 G N -0.379 108.403 108.800 -0.030 0.000 2.339 78 G HA2 -0.296 3.621 3.960 -0.072 0.000 0.209 78 G HA3 -0.296 3.645 3.960 -0.031 0.000 0.209 78 G C 0.093 174.963 174.900 -0.051 0.000 1.015 78 G CA 0.378 45.450 45.100 -0.048 0.000 0.635 78 G HN 0.052 8.470 8.290 -0.047 -0.157 0.499 79 N N 0.435 119.123 118.700 -0.020 0.000 2.461 79 N HA 0.032 4.763 4.740 -0.015 0.000 0.188 79 N C -0.612 174.897 175.510 -0.002 0.000 1.134 79 N CA 0.147 53.193 53.050 -0.006 0.000 0.878 79 N CB 0.042 38.541 38.487 0.019 0.000 0.972 79 N HN 0.238 8.556 8.380 -0.001 0.062 0.456 80 E N -1.011 119.169 120.200 -0.034 0.000 2.390 80 E HA 0.096 4.697 4.350 0.081 -0.202 0.261 80 E C 0.060 176.621 176.600 -0.065 0.000 1.076 80 E CA 0.702 57.094 56.400 -0.014 0.000 0.905 80 E CB 0.288 29.942 29.700 -0.078 0.000 0.984 80 E HN -0.365 7.877 8.360 -0.072 0.075 0.427 81 Q N 2.078 121.912 119.800 0.056 0.000 2.310 81 Q HA 0.290 4.609 4.340 -0.035 0.000 0.270 81 Q C -1.740 174.428 176.000 0.280 0.000 1.025 81 Q CA -1.014 54.829 55.803 0.066 0.000 0.772 81 Q CB 2.979 31.753 28.738 0.060 0.000 1.253 81 Q HN 0.475 8.730 8.270 0.152 0.107 0.450 82 F N 3.959 123.897 119.950 -0.020 0.000 2.404 82 F HA 0.749 5.440 4.527 -0.031 -0.184 0.354 82 F C 0.239 176.022 175.800 -0.028 0.000 1.122 82 F CA -3.308 54.675 58.000 -0.028 0.000 1.080 82 F CB 0.817 39.798 39.000 -0.031 0.000 1.131 82 F HN 0.308 8.662 8.300 0.091 0.000 0.471 83 I N 4.080 124.729 120.570 0.130 0.000 2.512 83 I HA 0.120 4.321 4.170 0.051 0.000 0.287 83 I C -1.689 174.428 176.117 0.000 0.000 1.069 83 I CA -1.057 60.272 61.300 0.049 0.000 1.056 83 I CB 3.342 41.356 38.000 0.024 0.000 1.229 83 I HN 1.027 9.296 8.210 0.097 0.000 0.429 84 N N 6.562 125.255 118.700 -0.011 0.000 2.508 84 N HA 0.005 4.721 4.740 -0.040 0.000 0.264 84 N C -0.477 175.000 175.510 -0.056 0.000 1.216 84 N CA -0.173 52.856 53.050 -0.034 0.000 0.943 84 N CB 0.876 39.345 38.487 -0.030 0.000 1.113 84 N HN 0.519 8.899 8.380 -0.001 0.000 0.447 85 A N 1.415 124.197 122.820 -0.062 0.000 2.488 85 A HA 0.073 4.461 4.320 -0.108 -0.133 0.249 85 A C -0.683 176.850 177.584 -0.085 0.000 1.083 85 A CA 0.579 52.567 52.037 -0.082 0.000 0.768 85 A CB 0.348 19.311 19.000 -0.061 0.000 1.017 85 A HN 0.331 8.449 8.150 -0.054 0.000 0.496 86 A N 4.144 126.891 122.820 -0.121 0.000 1.997 86 A HA 0.090 4.366 4.320 -0.074 0.000 0.212 86 A C -0.125 177.406 177.584 -0.088 0.000 1.178 86 A CA 1.148 53.121 52.037 -0.106 0.000 0.698 86 A CB 1.501 20.418 19.000 -0.138 0.000 0.842 86 A HN 0.785 8.727 8.150 -0.171 0.104 0.458 87 K N -2.532 117.802 120.400 -0.111 0.000 2.498 87 K HA 0.255 4.581 4.320 0.010 0.000 0.254 87 K C -2.326 174.280 176.600 0.010 0.000 0.933 87 K CA -0.789 55.476 56.287 -0.037 0.000 0.806 87 K CB 4.029 36.505 32.500 -0.040 0.000 1.301 87 K HN -0.752 7.389 8.250 -0.182 0.000 0.432 88 I N 2.117 122.752 120.570 0.107 0.000 2.497 88 I HA 0.548 4.980 4.170 0.168 -0.162 0.284 88 I C -1.012 175.258 176.117 0.254 0.000 1.060 88 I CA -0.781 60.630 61.300 0.184 0.000 1.071 88 I CB 2.083 40.191 38.000 0.180 0.000 1.216 88 I HN 0.225 8.507 8.210 0.119 0.000 0.442 89 I N 9.419 130.154 120.570 0.274 0.000 2.420 89 I HA 0.285 4.587 4.170 0.220 0.000 0.282 89 I C -0.859 175.452 176.117 0.323 0.000 1.019 89 I CA -1.290 60.175 61.300 0.275 0.000 1.130 89 I CB 2.411 40.578 38.000 0.277 0.000 1.262 89 I HN 1.019 9.402 8.210 0.288 0.000 0.454 90 T N 9.533 124.215 114.554 0.214 0.000 2.904 90 T HA 0.017 4.460 4.350 0.155 0.000 0.290 90 T C -0.520 174.283 174.700 0.171 0.000 1.018 90 T CA 0.162 62.348 62.100 0.145 0.000 1.075 90 T CB 0.761 69.624 68.868 -0.008 0.000 0.986 90 T HN 0.396 8.723 8.240 0.145 0.000 0.523 91 H N 6.072 125.075 119.070 -0.111 0.000 3.034 91 H HA -0.063 4.142 4.556 -0.585 0.000 0.324 91 H C 0.645 175.909 175.328 -0.106 0.000 1.015 91 H CA 0.756 56.560 56.048 -0.407 0.000 1.429 91 H CB 1.405 30.756 29.762 -0.685 0.000 1.429 91 H HN 0.002 8.276 8.280 -0.010 0.000 0.585 92 P HA -0.131 4.311 4.420 0.037 0.000 0.222 92 P C -0.474 176.895 177.300 0.115 0.000 1.147 92 P CA 1.609 64.701 63.100 -0.013 0.000 0.790 92 P CB 0.369 32.038 31.700 -0.051 0.000 0.780 93 N N -3.022 115.874 118.700 0.326 0.000 2.238 93 N HA 0.059 4.865 4.740 0.110 0.000 0.222 93 N C -0.371 175.234 175.510 0.158 0.000 1.133 93 N CA -0.972 52.209 53.050 0.218 0.000 0.854 93 N CB 0.417 39.016 38.487 0.188 0.000 1.041 93 N HN -0.388 8.431 8.380 0.787 0.033 0.510 94 F N 4.389 124.364 119.950 0.042 0.000 2.623 94 F HA -0.192 4.506 4.527 -0.086 -0.222 0.383 94 F C -0.341 175.437 175.800 -0.038 0.000 1.077 94 F CA 1.389 59.367 58.000 -0.036 0.000 1.268 94 F CB 0.365 39.352 39.000 -0.022 0.000 1.053 94 F HN -0.390 7.959 8.300 0.364 0.170 0.571 95 N N 7.262 125.525 118.700 -0.728 0.000 2.407 95 N HA 0.148 4.535 4.740 -0.588 0.000 0.277 95 N C -0.791 174.056 175.510 -1.105 0.000 0.995 95 N CA -1.055 51.564 53.050 -0.718 0.000 0.903 95 N CB 2.839 41.113 38.487 -0.355 0.000 1.218 95 N HN -0.060 8.004 8.380 -0.527 0.000 0.487 96 G N 4.927 113.146 108.800 -0.967 0.000 2.598 96 G HA2 -0.197 3.265 3.960 -0.830 0.000 0.215 96 G HA3 -0.197 3.519 3.960 -0.407 0.000 0.215 96 G C 0.380 175.064 174.900 -0.360 0.000 1.131 96 G CA 1.263 45.964 45.100 -0.665 0.000 0.785 96 G HN 0.581 8.414 8.290 -0.761 0.000 0.539 97 N N 1.641 120.138 118.700 -0.338 0.000 2.245 97 N HA -0.019 4.584 4.740 -0.228 0.000 0.185 97 N C 1.772 177.085 175.510 -0.329 0.000 1.036 97 N CA 1.608 54.499 53.050 -0.265 0.000 0.857 97 N CB 0.678 39.044 38.487 -0.201 0.000 1.015 97 N HN -0.028 8.359 8.380 -0.373 -0.230 0.436 98 T N -3.636 110.722 114.554 -0.326 0.000 3.055 98 T HA -0.114 4.008 4.350 -0.380 0.000 0.265 98 T C 0.447 174.883 174.700 -0.441 0.000 1.111 98 T CA 1.304 63.196 62.100 -0.347 0.000 1.118 98 T CB 1.184 69.918 68.868 -0.224 0.000 0.909 98 T HN -0.277 8.106 8.240 -0.302 -0.324 0.501 99 L N -3.787 117.210 121.223 -0.377 0.000 4.429 99 L HA -0.482 3.924 4.340 -0.081 -0.114 0.422 99 L C -1.619 175.250 176.870 -0.003 0.000 1.149 99 L CA 0.627 55.355 54.840 -0.187 0.000 0.972 99 L CB -2.448 39.417 42.059 -0.323 0.000 2.059 99 L HN -0.243 7.706 8.230 -0.405 0.038 0.870 100 D N -1.170 119.190 120.400 -0.066 0.000 2.443 100 D HA -0.203 4.484 4.640 0.080 0.000 0.239 100 D C 0.404 176.743 176.300 0.065 0.000 1.136 100 D CA 1.419 55.430 54.000 0.018 0.000 0.879 100 D CB 1.047 41.828 40.800 -0.031 0.000 1.195 100 D HN -0.692 7.526 8.370 -0.170 0.050 0.443 101 N N -0.601 118.125 118.700 0.043 0.000 2.740 101 N HA -0.512 4.091 4.740 -0.227 0.000 0.248 101 N C -1.379 174.101 175.510 -0.050 0.000 1.062 101 N CA 1.308 54.270 53.050 -0.148 0.000 0.704 101 N CB -1.303 36.944 38.487 -0.400 0.000 0.968 101 N HN 0.497 8.932 8.380 0.092 0.000 0.547 102 D N -0.807 119.619 120.400 0.044 0.000 2.508 102 D HA 0.052 4.657 4.640 -0.058 0.000 0.224 102 D C -1.872 174.321 176.300 -0.177 0.000 1.171 102 D CA -0.273 53.738 54.000 0.018 0.000 1.006 102 D CB -0.591 40.345 40.800 0.226 0.000 1.073 102 D HN -0.084 8.313 8.370 0.046 0.000 0.513 103 I N 3.398 123.792 120.570 -0.292 0.000 2.775 103 I HA 0.662 4.953 4.170 -0.135 -0.202 0.295 103 I C -3.073 172.994 176.117 -0.083 0.000 1.287 103 I CA -1.163 60.002 61.300 -0.227 0.000 1.029 103 I CB 4.123 41.866 38.000 -0.428 0.000 1.282 103 I HN 0.067 8.048 8.210 -0.319 0.038 0.426 104 M N 7.015 126.676 119.600 0.101 0.000 2.421 104 M HA 0.656 5.492 4.480 0.336 -0.155 0.287 104 M C -2.822 173.659 176.300 0.302 0.000 1.183 104 M CA -0.845 54.592 55.300 0.228 0.000 0.916 104 M CB 4.814 37.474 32.600 0.100 0.000 1.701 104 M HN 0.476 8.736 8.290 0.088 0.082 0.470 105 L N 3.254 124.697 121.223 0.366 0.000 2.334 105 L HA 0.835 5.531 4.340 0.298 -0.177 0.276 105 L C -1.457 175.628 176.870 0.357 0.000 1.014 105 L CA -1.414 53.627 54.840 0.335 0.000 0.815 105 L CB 3.673 45.863 42.059 0.219 0.000 1.268 105 L HN 0.904 9.284 8.230 0.428 0.106 0.428 106 I N 1.521 122.283 120.570 0.320 0.000 2.418 106 I HA 0.514 4.920 4.170 0.093 -0.180 0.287 106 I C -1.598 174.463 176.117 -0.093 0.000 1.008 106 I CA -1.318 60.052 61.300 0.117 0.000 1.104 106 I CB 2.910 40.947 38.000 0.061 0.000 1.264 106 I HN 1.010 9.434 8.210 0.356 0.000 0.438 107 K N 7.771 127.852 120.400 -0.531 0.000 2.258 107 K HA 0.531 4.101 4.320 -1.563 -0.187 0.284 107 K C -0.725 175.555 176.600 -0.533 0.000 1.051 107 K CA -1.437 54.182 56.287 -1.114 0.000 0.923 107 K CB 1.985 33.630 32.500 -1.425 0.000 1.046 107 K HN 0.616 8.555 8.250 -0.340 0.108 0.474 108 L N 6.926 127.881 121.223 -0.447 0.000 2.426 108 L HA -0.090 4.259 4.340 -0.175 -0.115 0.271 108 L C 0.388 177.132 176.870 -0.209 0.000 1.169 108 L CA 0.812 55.511 54.840 -0.236 0.000 0.836 108 L CB 0.223 42.187 42.059 -0.158 0.000 1.112 108 L HN 0.701 8.479 8.230 -0.564 0.113 0.465 109 S N 2.772 118.392 115.700 -0.132 0.000 2.453 109 S HA -0.208 4.192 4.470 -0.117 0.000 0.231 109 S C -0.380 174.173 174.600 -0.079 0.000 1.005 109 S CA 2.557 60.696 58.200 -0.101 0.000 0.949 109 S CB 0.498 63.659 63.200 -0.064 0.000 0.774 109 S HN 0.581 8.828 8.310 -0.106 0.000 0.510 110 S N -0.412 115.247 115.700 -0.068 0.000 2.595 110 S HA 0.338 4.778 4.470 -0.050 0.000 0.281 110 S C -2.824 171.747 174.600 -0.048 0.000 1.117 110 S CA -2.010 56.161 58.200 -0.048 0.000 0.873 110 S CB 1.318 64.502 63.200 -0.026 0.000 1.108 110 S HN -0.562 7.679 8.310 -0.071 0.026 0.477 111 P HA -0.092 4.421 4.420 -0.032 -0.113 0.268 111 P C -1.260 176.039 177.300 -0.002 0.000 1.205 111 P CA -0.053 63.037 63.100 -0.017 0.000 0.771 111 P CB 0.514 32.215 31.700 0.002 0.000 0.858 112 A N 3.773 126.600 122.820 0.010 0.000 2.483 112 A HA -0.117 4.319 4.320 0.025 -0.101 0.238 112 A C 0.259 177.860 177.584 0.029 0.000 1.070 112 A CA 0.243 52.296 52.037 0.027 0.000 0.770 112 A CB 0.842 19.869 19.000 0.044 0.000 1.008 112 A HN 0.507 8.661 8.150 0.007 0.000 0.497 113 T N 4.255 118.825 114.554 0.027 0.000 2.728 113 T HA 0.013 4.377 4.350 0.023 0.000 0.296 113 T C -1.080 173.639 174.700 0.031 0.000 0.940 113 T CA 0.660 62.775 62.100 0.024 0.000 1.013 113 T CB 0.295 69.172 68.868 0.015 0.000 0.912 113 T HN 0.159 8.794 8.240 0.028 -0.378 0.484 114 L N 7.704 128.948 121.223 0.034 0.000 2.312 114 L HA 0.293 4.839 4.340 0.047 -0.178 0.281 114 L C -0.515 176.374 176.870 0.032 0.000 1.070 114 L CA -0.510 54.355 54.840 0.040 0.000 0.805 114 L CB 0.680 42.766 42.059 0.044 0.000 1.174 114 L HN 0.362 8.611 8.230 0.032 0.000 0.434 115 N N 4.011 122.731 118.700 0.034 0.000 3.449 115 N HA 0.138 4.892 4.740 0.024 0.000 0.312 115 N C -0.637 174.891 175.510 0.029 0.000 1.557 115 N CA -0.550 52.516 53.050 0.027 0.000 0.864 115 N CB 0.323 38.821 38.487 0.020 0.000 1.799 115 N HN 0.466 8.871 8.380 0.041 0.000 0.554 116 S N -1.857 113.856 115.700 0.022 0.000 2.423 116 S HA -0.219 4.266 4.470 0.025 0.000 0.231 116 S C 0.600 175.211 174.600 0.019 0.000 1.014 116 S CA 2.566 60.778 58.200 0.020 0.000 0.965 116 S CB -0.054 63.153 63.200 0.012 0.000 0.785 116 S HN 0.263 8.583 8.310 0.017 0.000 0.495 117 R N -1.075 119.437 120.500 0.019 0.000 2.290 117 R HA 0.116 4.458 4.340 0.004 0.000 0.197 117 R C -0.806 175.513 176.300 0.031 0.000 0.913 117 R CA 0.430 56.540 56.100 0.017 0.000 1.040 117 R CB 1.544 31.854 30.300 0.017 0.000 0.992 117 R HN -0.614 7.843 8.270 0.020 -0.175 0.500 118 V N -1.014 118.925 119.914 0.042 0.000 2.482 118 V HA 0.478 4.839 4.120 0.064 -0.203 0.295 118 V C -2.348 173.788 176.094 0.070 0.000 1.026 118 V CA -1.653 60.682 62.300 0.059 0.000 0.856 118 V CB 2.742 34.599 31.823 0.058 0.000 1.001 118 V HN -0.309 8.083 8.190 0.038 -0.179 0.424 119 A N 6.494 129.373 122.820 0.097 0.000 2.594 119 A HA 0.543 4.916 4.320 0.089 0.000 0.295 119 A C -2.598 175.080 177.584 0.156 0.000 1.071 119 A CA -1.010 51.094 52.037 0.113 0.000 0.685 119 A CB 3.244 22.313 19.000 0.114 0.000 1.285 119 A HN 0.143 8.245 8.150 0.108 0.113 0.405 120 T N -2.063 112.566 114.554 0.125 0.000 2.868 120 T HA 0.302 4.925 4.350 0.147 -0.185 0.292 120 T C -0.518 174.242 174.700 0.101 0.000 1.028 120 T CA -0.950 61.222 62.100 0.119 0.000 1.059 120 T CB 1.089 70.006 68.868 0.081 0.000 0.991 120 T HN -0.215 8.084 8.240 0.097 0.000 0.531 121 V N 1.242 121.170 119.914 0.024 0.000 2.555 121 V HA 0.209 4.258 4.120 -0.118 0.000 0.302 121 V C -1.210 174.825 176.094 -0.099 0.000 1.038 121 V CA -1.871 60.339 62.300 -0.150 0.000 0.887 121 V CB 3.751 35.233 31.823 -0.568 0.000 0.991 121 V HN 0.194 8.413 8.190 0.047 0.000 0.434 122 S N 6.911 122.557 115.700 -0.090 0.000 2.560 122 S HA -0.071 4.381 4.470 -0.029 0.000 0.284 122 S C -0.281 174.285 174.600 -0.055 0.000 1.327 122 S CA 0.543 58.711 58.200 -0.053 0.000 1.055 122 S CB 0.678 63.852 63.200 -0.043 0.000 0.868 122 S HN 0.249 8.499 8.310 -0.099 0.000 0.506 123 L N 5.280 126.488 121.223 -0.024 0.000 2.472 123 L HA 0.049 4.384 4.340 -0.007 0.000 0.260 123 L C -1.118 175.747 176.870 -0.007 0.000 1.209 123 L CA -1.357 53.479 54.840 -0.007 0.000 0.817 123 L CB -0.620 41.446 42.059 0.013 0.000 1.106 123 L HN 0.242 8.462 8.230 -0.017 0.000 0.479 124 P HA 0.007 4.553 4.420 -0.010 -0.133 0.271 124 P C -0.985 176.317 177.300 0.003 0.000 1.216 124 P CA -0.320 62.781 63.100 0.002 0.000 0.771 124 P CB 0.364 32.073 31.700 0.015 0.000 0.864 128 c N 1.552 120.152 118.600 -0.001 0.000 2.649 128 c HA 0.048 4.621 4.570 0.005 0.000 0.377 128 c C 0.596 174.682 174.090 -0.006 0.000 1.321 128 c CA -0.250 56.079 56.329 0.000 0.000 2.368 128 c CB 0.321 42.831 42.510 0.000 0.000 2.597 128 c HN 0.025 8.253 8.230 -0.003 0.000 0.678 129 A N 1.173 123.988 122.820 -0.009 0.000 2.310 129 A HA 0.072 4.382 4.320 -0.017 0.000 0.299 129 A C -0.913 176.660 177.584 -0.017 0.000 1.147 129 A CA -0.486 51.540 52.037 -0.017 0.000 0.818 129 A CB 0.972 19.955 19.000 -0.027 0.000 1.096 129 A HN 0.197 8.344 8.150 -0.006 0.000 0.495 133 G N 1.831 110.602 108.800 -0.048 0.000 2.199 133 G HA2 -0.342 3.580 3.960 -0.063 0.000 0.254 133 G HA3 -0.342 3.596 3.960 -0.036 0.000 0.254 133 G C -0.153 174.718 174.900 -0.048 0.000 0.982 133 G CA -0.090 44.981 45.100 -0.049 0.000 0.632 133 G HN 0.661 8.811 8.290 -0.059 0.104 0.529 134 T N 4.658 119.183 114.554 -0.048 0.000 2.902 134 T HA -0.148 4.183 4.350 -0.032 0.000 0.301 134 T C -0.928 173.740 174.700 -0.054 0.000 1.012 134 T CA 2.524 64.598 62.100 -0.043 0.000 1.151 134 T CB 0.702 69.545 68.868 -0.042 0.000 0.946 134 T HN -0.557 7.583 8.240 -0.048 0.071 0.542 135 E N 5.045 125.223 120.200 -0.037 0.000 2.313 135 E HA -0.108 4.215 4.350 -0.045 0.000 0.276 135 E C -0.928 175.653 176.600 -0.032 0.000 1.031 135 E CA 1.113 57.495 56.400 -0.030 0.000 0.857 135 E CB 0.735 30.433 29.700 -0.003 0.000 1.040 135 E HN 0.315 8.659 8.360 -0.026 0.000 0.408 136 c N 1.431 120.007 118.600 -0.039 0.000 3.044 136 c HA 0.696 5.386 4.570 -0.031 -0.139 0.315 136 c C -1.708 172.378 174.090 -0.007 0.000 1.320 136 c CA -1.292 55.011 56.329 -0.043 0.000 1.582 136 c CB 4.239 46.686 42.510 -0.105 0.000 2.039 136 c HN 0.676 8.773 8.230 -0.045 0.105 0.466 137 L N 1.022 122.247 121.223 0.003 0.000 2.349 137 L HA 0.794 5.332 4.340 0.047 -0.170 0.278 137 L C -2.266 174.608 176.870 0.008 0.000 0.996 137 L CA -1.247 53.613 54.840 0.034 0.000 0.825 137 L CB 3.350 45.455 42.059 0.077 0.000 1.243 137 L HN 0.652 8.768 8.230 -0.008 0.110 0.412 138 I N 7.191 127.752 120.570 -0.015 0.000 2.441 138 I HA 0.887 5.285 4.170 -0.007 -0.232 0.295 138 I C -1.253 174.834 176.117 -0.051 0.000 0.994 138 I CA -1.685 59.603 61.300 -0.021 0.000 1.144 138 I CB 2.257 40.246 38.000 -0.018 0.000 1.314 138 I HN 0.979 9.185 8.210 -0.006 0.000 0.445 139 S N 3.293 118.962 115.700 -0.052 0.000 2.588 139 S HA 0.985 5.484 4.470 -0.211 -0.156 0.275 139 S C -1.184 173.317 174.600 -0.165 0.000 1.130 139 S CA -1.692 56.409 58.200 -0.165 0.000 0.855 139 S CB 3.694 66.760 63.200 -0.223 0.000 1.116 139 S HN -0.126 8.187 8.310 0.005 0.000 0.472 140 G N -0.900 107.714 108.800 -0.311 0.000 2.313 140 G HA2 0.220 3.993 3.960 -0.312 0.000 0.296 140 G HA3 0.220 4.312 3.960 -0.037 -0.154 0.296 140 G C -2.070 172.604 174.900 -0.376 0.000 1.356 140 G CA 0.618 45.562 45.100 -0.260 0.000 0.833 140 G HN 0.287 8.320 8.290 -0.428 0.000 0.552 141 W N 0.792 122.024 121.300 -0.115 0.000 3.194 141 W HA 0.314 4.870 4.660 -0.172 0.000 0.408 141 W C -0.197 176.289 176.519 -0.055 0.000 1.072 141 W CA -0.774 56.436 57.345 -0.225 0.000 1.953 141 W CB 0.291 29.394 29.460 -0.594 0.000 1.091 141 W HN 0.596 8.958 8.180 0.303 0.000 0.699 142 G N 0.834 109.750 108.800 0.193 0.000 2.588 142 G HA2 -0.051 4.200 3.960 0.457 0.000 0.278 142 G HA3 -0.051 4.188 3.960 0.180 -0.170 0.278 142 G C -0.995 173.810 174.900 -0.159 0.000 1.307 142 G CA -0.777 44.439 45.100 0.194 0.000 1.016 142 G HN -0.200 8.416 8.290 0.122 -0.253 0.503 143 N N -0.292 118.157 118.700 -0.419 0.000 2.412 143 N HA -0.277 3.947 4.740 -1.191 -0.198 0.258 143 N C 0.798 176.131 175.510 -0.294 0.000 1.236 143 N CA 0.754 53.400 53.050 -0.673 0.000 0.882 143 N CB 0.513 38.721 38.487 -0.464 0.000 1.066 143 N HN 0.031 8.315 8.380 -0.160 0.000 0.465 144 T N -0.642 113.750 114.554 -0.270 0.000 3.040 144 T HA 0.183 4.582 4.350 -0.118 -0.119 0.250 144 T C 0.429 175.068 174.700 -0.102 0.000 1.058 144 T CA 0.531 62.545 62.100 -0.145 0.000 0.988 144 T CB 1.311 70.109 68.868 -0.116 0.000 0.993 144 T HN 0.333 8.358 8.240 -0.358 0.000 0.519 145 K N 2.904 123.237 120.400 -0.111 0.000 2.164 145 K HA 0.256 4.547 4.320 -0.049 0.000 0.258 145 K C 0.022 176.596 176.600 -0.044 0.000 0.951 145 K CA -1.003 55.246 56.287 -0.063 0.000 0.844 145 K CB 1.875 34.342 32.500 -0.055 0.000 1.099 145 K HN -0.338 8.153 8.250 -0.165 -0.340 0.435 146 S N 1.312 116.998 115.700 -0.024 0.000 2.528 146 S HA -0.071 4.394 4.470 -0.008 0.000 0.219 146 S C -0.490 174.108 174.600 -0.003 0.000 0.985 146 S CA 0.624 58.819 58.200 -0.009 0.000 0.914 146 S CB 1.173 64.372 63.200 -0.002 0.000 0.776 146 S HN 0.166 8.463 8.310 -0.022 0.000 0.526 147 S N 0.226 115.923 115.700 -0.005 0.000 2.736 147 S HA 0.164 4.637 4.470 0.004 0.000 0.285 147 S C -0.595 174.006 174.600 0.001 0.000 1.163 147 S CA 0.119 58.320 58.200 0.002 0.000 1.025 147 S CB 2.248 65.451 63.200 0.005 0.000 1.030 147 S HN -0.533 7.725 8.310 -0.011 0.046 0.486 148 G N 4.853 113.658 108.800 0.008 0.000 2.545 148 G HA2 -0.211 3.765 3.960 0.027 0.000 0.216 148 G HA3 -0.211 3.758 3.960 0.015 0.000 0.216 148 G C -1.859 173.049 174.900 0.013 0.000 1.314 148 G CA -0.426 44.684 45.100 0.017 0.000 0.906 148 G HN 0.070 8.366 8.290 0.010 0.000 0.563 149 S N 0.864 116.578 115.700 0.024 0.000 2.668 149 S HA 0.112 4.770 4.470 -0.047 -0.216 0.277 149 S C -1.872 172.741 174.600 0.021 0.000 1.170 149 S CA -0.442 57.779 58.200 0.036 0.000 0.994 149 S CB 2.205 65.511 63.200 0.177 0.000 1.051 149 S HN 0.072 8.400 8.310 0.031 0.000 0.484 150 S N 4.253 119.887 115.700 -0.110 0.000 2.614 150 S HA 0.304 4.818 4.470 0.073 0.000 0.275 150 S C -2.413 172.037 174.600 -0.250 0.000 1.161 150 S CA -0.127 58.035 58.200 -0.063 0.000 0.969 150 S CB 2.405 65.576 63.200 -0.048 0.000 1.059 150 S HN 0.574 9.079 8.310 -0.270 -0.358 0.482 151 Y N 6.911 127.233 120.300 0.036 0.000 2.356 151 Y HA 0.253 4.836 4.550 0.055 0.000 0.334 151 Y C -1.568 174.354 175.900 0.038 0.000 0.958 151 Y CA -2.909 55.219 58.100 0.047 0.000 1.196 151 Y CB 1.255 39.750 38.460 0.058 0.000 1.137 151 Y HN 0.124 8.566 8.280 0.271 0.000 0.485 152 P HA 0.193 4.644 4.420 0.053 0.000 0.274 152 P C -0.570 176.812 177.300 0.137 0.000 1.231 152 P CA -0.747 62.404 63.100 0.085 0.000 0.790 152 P CB 1.200 32.918 31.700 0.030 0.000 0.951 153 S N -1.332 114.416 115.700 0.081 0.000 2.395 153 S HA -0.188 4.418 4.470 0.035 -0.115 0.225 153 S C -0.252 174.426 174.600 0.129 0.000 1.027 153 S CA 2.182 60.418 58.200 0.061 0.000 0.965 153 S CB 0.770 63.977 63.200 0.010 0.000 0.812 153 S HN 0.171 8.509 8.310 0.047 0.000 0.482 154 L N 0.594 121.833 121.223 0.026 0.000 2.322 154 L HA 0.398 4.756 4.340 -0.306 -0.201 0.279 154 L C -0.006 176.738 176.870 -0.211 0.000 1.036 154 L CA -1.592 53.129 54.840 -0.198 0.000 0.807 154 L CB 1.786 43.658 42.059 -0.311 0.000 1.226 154 L HN -0.793 7.442 8.230 0.009 0.000 0.433 155 L N 2.699 123.688 121.223 -0.391 0.000 2.499 155 L HA -0.121 3.238 4.340 -1.634 0.000 0.273 155 L C -1.151 175.443 176.870 -0.460 0.000 1.195 155 L CA 0.745 55.083 54.840 -0.837 0.000 0.882 155 L CB 0.757 42.390 42.059 -0.711 0.000 1.133 155 L HN -0.228 7.796 8.230 -0.343 0.000 0.483 156 Q N 4.935 124.429 119.800 -0.511 0.000 2.257 156 Q HA 0.565 4.842 4.340 -0.335 -0.138 0.262 156 Q C -1.055 174.684 176.000 -0.435 0.000 0.997 156 Q CA -1.868 53.705 55.803 -0.382 0.000 0.873 156 Q CB 2.921 31.488 28.738 -0.284 0.000 1.312 156 Q HN 0.023 7.892 8.270 -0.668 0.000 0.450 157 c N -0.380 117.871 118.600 -0.582 0.000 2.802 157 c HA 0.922 5.426 4.570 -0.399 -0.174 0.307 157 c C -1.923 171.788 174.090 -0.632 0.000 1.222 157 c CA -0.671 55.260 56.329 -0.662 0.000 1.580 157 c CB 4.041 45.987 42.510 -0.939 0.000 2.119 157 c HN 0.868 8.669 8.230 -0.716 0.000 0.479 158 L N 1.180 122.253 121.223 -0.249 0.000 2.493 158 L HA 0.488 4.879 4.340 0.084 0.000 0.265 158 L C -2.391 174.555 176.870 0.127 0.000 0.954 158 L CA -0.203 54.642 54.840 0.007 0.000 0.844 158 L CB 4.547 46.630 42.059 0.041 0.000 1.302 158 L HN 0.825 8.952 8.230 -0.173 0.000 0.405 159 K N 6.565 127.116 120.400 0.250 0.000 2.234 159 K HA 0.655 5.264 4.320 0.144 -0.202 0.282 159 K C -1.133 175.624 176.600 0.263 0.000 1.039 159 K CA -0.286 56.128 56.287 0.211 0.000 0.928 159 K CB 0.783 33.405 32.500 0.203 0.000 1.039 159 K HN 0.369 8.809 8.250 0.317 0.000 0.470 160 A N 3.447 126.337 122.820 0.116 0.000 2.594 160 A HA 0.499 4.819 4.320 0.000 0.000 0.295 160 A C -3.588 173.888 177.584 -0.180 0.000 1.071 160 A CA -1.938 50.072 52.037 -0.044 0.000 0.685 160 A CB 2.725 21.697 19.000 -0.047 0.000 1.285 160 A HN 0.664 8.845 8.150 0.051 0.000 0.405 161 P HA 0.642 5.173 4.420 -0.145 -0.198 0.290 161 P C -0.943 176.222 177.300 -0.225 0.000 1.283 161 P CA -1.752 61.215 63.100 -0.222 0.000 0.869 161 P CB 1.684 33.257 31.700 -0.212 0.000 1.100 162 V N 1.572 121.395 119.914 -0.151 0.000 2.540 162 V HA -0.203 3.961 4.120 -0.132 -0.124 0.297 162 V C 0.514 176.545 176.094 -0.105 0.000 1.024 162 V CA 1.594 63.823 62.300 -0.119 0.000 1.105 162 V CB -1.088 30.686 31.823 -0.082 0.000 0.938 162 V HN 0.251 8.368 8.190 -0.122 0.000 0.482 163 L N 6.984 128.153 121.223 -0.090 0.000 2.439 163 L HA 0.077 4.363 4.340 -0.089 0.000 0.261 163 L C -0.022 176.826 176.870 -0.038 0.000 1.153 163 L CA -0.372 54.425 54.840 -0.070 0.000 0.808 163 L CB 0.276 42.303 42.059 -0.054 0.000 1.126 163 L HN 0.304 8.384 8.230 -0.078 0.104 0.460 164 S N 0.522 116.204 115.700 -0.031 0.000 2.566 164 S HA -0.130 4.331 4.470 -0.016 0.000 0.280 164 S C 0.813 175.411 174.600 -0.003 0.000 1.343 164 S CA -0.330 57.861 58.200 -0.016 0.000 1.036 164 S CB 0.944 64.136 63.200 -0.013 0.000 0.866 164 S HN 0.306 8.593 8.310 -0.037 0.000 0.526 165 D N 2.912 123.313 120.400 0.002 0.000 2.144 165 D HA -0.274 4.376 4.640 0.017 0.000 0.199 165 D C 1.887 178.197 176.300 0.016 0.000 0.984 165 D CA 3.801 57.808 54.000 0.012 0.000 0.834 165 D CB -0.597 40.210 40.800 0.012 0.000 0.955 165 D HN 0.531 8.900 8.370 -0.001 0.000 0.465 166 S N -1.882 113.823 115.700 0.008 0.000 2.383 166 S HA -0.221 4.257 4.470 0.013 0.000 0.227 166 S C 1.979 176.583 174.600 0.006 0.000 1.026 166 S CA 3.366 61.571 58.200 0.008 0.000 0.981 166 S CB -0.496 62.706 63.200 0.003 0.000 0.818 166 S HN 0.005 8.318 8.310 0.004 0.000 0.472 167 S N 5.102 120.803 115.700 0.002 0.000 2.368 167 S HA -0.127 4.338 4.470 -0.008 0.000 0.224 167 S C 1.709 176.314 174.600 0.009 0.000 1.029 167 S CA 3.922 62.120 58.200 -0.003 0.000 0.988 167 S CB -0.858 62.336 63.200 -0.010 0.000 0.838 167 S HN -0.325 7.910 8.310 -0.001 0.075 0.462 168 c N 3.376 121.993 118.600 0.028 0.000 2.508 168 c HA -0.301 4.322 4.570 0.088 0.000 0.280 168 c C 1.610 175.765 174.090 0.108 0.000 1.262 168 c CA 2.721 59.092 56.329 0.070 0.000 1.706 168 c CB -1.436 41.106 42.510 0.053 0.000 2.078 168 c HN 0.206 8.448 8.230 0.020 0.000 0.480 169 K N -1.418 119.030 120.400 0.079 0.000 2.217 169 K HA -0.281 4.124 4.320 0.142 0.000 0.202 169 K C 2.339 178.980 176.600 0.068 0.000 1.051 169 K CA 2.806 59.150 56.287 0.094 0.000 0.952 169 K CB -0.142 32.397 32.500 0.066 0.000 0.736 169 K HN -0.058 8.225 8.250 0.056 0.000 0.453 170 S N -0.597 115.120 115.700 0.027 0.000 2.428 170 S HA -0.119 4.352 4.470 0.002 0.000 0.230 170 S C 1.418 175.986 174.600 -0.053 0.000 1.014 170 S CA 2.895 61.091 58.200 -0.007 0.000 0.957 170 S CB -0.334 62.855 63.200 -0.019 0.000 0.784 170 S HN -0.212 8.092 8.310 0.024 0.020 0.499 171 S N -0.033 115.611 115.700 -0.094 0.000 2.428 171 S HA -0.119 4.178 4.470 -0.288 0.000 0.230 171 S C -1.446 172.845 174.600 -0.514 0.000 1.014 171 S CA 3.432 61.439 58.200 -0.322 0.000 0.957 171 S CB 0.826 63.785 63.200 -0.402 0.000 0.784 171 S HN -0.651 7.518 8.310 -0.031 0.122 0.499 172 Y N -1.658 118.661 120.300 0.032 0.000 2.535 172 Y HA 0.375 4.976 4.550 0.085 0.000 0.351 172 Y C -2.800 173.153 175.900 0.088 0.000 1.050 172 Y CA -3.248 54.907 58.100 0.091 0.000 1.168 172 Y CB 0.476 39.042 38.460 0.176 0.000 1.116 172 Y HN -0.860 7.352 8.280 0.108 0.132 0.654 173 P HA -0.109 4.491 4.420 0.084 -0.130 0.261 173 P C 0.893 178.256 177.300 0.106 0.000 1.183 173 P CA 1.049 64.203 63.100 0.091 0.000 0.761 173 P CB 0.058 31.782 31.700 0.039 0.000 0.785 174 G N 4.443 113.299 108.800 0.093 0.000 2.189 174 G HA2 -0.385 3.611 3.960 0.060 0.000 0.267 174 G HA3 -0.385 3.609 3.960 0.057 0.000 0.267 174 G C 0.294 175.250 174.900 0.094 0.000 0.975 174 G CA 0.707 45.852 45.100 0.076 0.000 0.644 174 G HN 0.563 8.905 8.290 0.087 0.000 0.537 175 Q N -1.906 117.993 119.800 0.165 0.000 2.317 175 Q HA 0.081 4.476 4.340 0.091 0.000 0.220 175 Q C -0.291 175.866 176.000 0.261 0.000 0.873 175 Q CA -0.287 55.632 55.803 0.194 0.000 0.936 175 Q CB 1.385 30.297 28.738 0.291 0.000 1.105 175 Q HN -0.143 8.172 8.270 0.206 0.078 0.520 176 I N 0.053 120.759 120.570 0.227 0.000 2.291 176 I HA -0.001 4.325 4.170 0.261 0.000 0.292 176 I C 0.467 176.663 176.117 0.132 0.000 1.064 176 I CA -1.644 59.773 61.300 0.195 0.000 1.269 176 I CB -1.985 36.103 38.000 0.146 0.000 1.418 176 I HN -0.353 7.976 8.210 0.198 0.000 0.485 177 T N 3.486 118.117 114.554 0.130 0.000 2.770 177 T HA 0.154 4.542 4.350 0.063 0.000 0.281 177 T C 1.621 176.363 174.700 0.070 0.000 0.981 177 T CA -1.401 60.748 62.100 0.082 0.000 0.955 177 T CB 2.474 71.383 68.868 0.068 0.000 1.060 177 T HN -0.535 7.812 8.240 0.177 0.000 0.531 178 G N -0.836 107.989 108.800 0.043 0.000 2.625 178 G HA2 -0.122 3.856 3.960 0.031 0.000 0.214 178 G HA3 -0.122 3.843 3.960 0.008 0.000 0.214 178 G C 0.060 174.981 174.900 0.035 0.000 1.132 178 G CA 0.946 46.063 45.100 0.028 0.000 0.782 178 G HN 0.518 8.827 8.290 0.032 0.000 0.538 179 N N -0.406 118.335 118.700 0.068 0.000 2.279 179 N HA 0.120 4.915 4.740 0.093 0.000 0.226 179 N C -1.463 174.152 175.510 0.174 0.000 1.126 179 N CA -0.270 52.857 53.050 0.127 0.000 0.846 179 N CB 0.604 39.198 38.487 0.179 0.000 1.050 179 N HN -0.503 7.859 8.380 0.072 0.062 0.502 180 M N -1.206 118.473 119.600 0.132 0.000 2.518 180 M HA 0.768 5.535 4.480 0.143 -0.201 0.300 180 M C -1.817 174.533 176.300 0.083 0.000 1.175 180 M CA -0.298 55.075 55.300 0.123 0.000 0.890 180 M CB 5.002 37.686 32.600 0.141 0.000 1.710 180 M HN -0.696 7.580 8.290 0.104 0.076 0.453 181 I N -7.143 113.475 120.570 0.080 0.000 2.934 181 I HA 0.627 4.823 4.170 0.044 0.000 0.306 181 I C -2.344 173.820 176.117 0.078 0.000 1.110 181 I CA -2.546 58.792 61.300 0.064 0.000 1.019 181 I CB 3.936 41.970 38.000 0.056 0.000 1.227 181 I HN 0.665 8.935 8.210 0.101 0.000 0.434 182 c N 2.459 121.092 118.600 0.054 0.000 2.341 182 c HA 0.815 5.671 4.570 0.147 -0.198 0.338 182 c C -0.399 173.725 174.090 0.057 0.000 1.257 182 c CA -0.983 55.397 56.329 0.085 0.000 1.883 182 c CB 0.603 43.142 42.510 0.049 0.000 2.334 182 c HN 0.773 9.023 8.230 0.033 0.000 0.524 183 V N 3.675 123.647 119.914 0.097 0.000 2.443 183 V HA 0.538 4.744 4.120 -0.158 -0.180 0.272 183 V C -1.938 174.114 176.094 -0.070 0.000 1.002 183 V CA -1.090 61.135 62.300 -0.125 0.000 0.840 183 V CB 0.343 31.907 31.823 -0.433 0.000 1.042 183 V HN 0.095 8.475 8.190 0.317 0.000 0.446 184 F N 4.123 124.099 119.950 0.044 0.000 2.427 184 F HA 0.278 4.819 4.527 0.023 0.000 0.346 184 F C 0.690 176.505 175.800 0.027 0.000 1.120 184 F CA -1.314 56.704 58.000 0.030 0.000 1.033 184 F CB 1.739 40.756 39.000 0.027 0.000 1.126 184 F HN 0.212 8.651 8.300 0.230 0.000 0.462 185 L N 2.284 123.600 121.223 0.155 0.000 2.201 185 L HA -0.249 4.132 4.340 0.069 0.000 0.212 185 L C 0.358 177.287 176.870 0.098 0.000 1.105 185 L CA 1.961 56.855 54.840 0.091 0.000 0.775 185 L CB -0.461 41.625 42.059 0.045 0.000 0.913 185 L HN 0.472 8.782 8.230 0.134 0.000 0.440 186 E N -2.232 118.046 120.200 0.131 0.000 2.383 186 E HA -0.117 4.268 4.350 0.059 0.000 0.264 186 E C 0.164 176.815 176.600 0.086 0.000 1.050 186 E CA -0.017 56.434 56.400 0.085 0.000 0.896 186 E CB -0.179 29.562 29.700 0.068 0.000 0.982 186 E HN -0.421 8.027 8.360 0.192 0.028 0.424 187 G N -0.124 108.707 108.800 0.052 0.000 2.346 187 G HA2 -0.207 3.862 3.960 0.068 0.000 0.275 187 G HA3 -0.207 3.774 3.960 0.036 0.000 0.275 187 G C -0.871 174.039 174.900 0.017 0.000 1.190 187 G CA 0.125 45.252 45.100 0.046 0.000 1.015 187 G HN -0.359 7.954 8.290 0.038 0.000 0.441 188 K N 2.248 122.648 120.400 0.000 0.000 4.005 188 K HA -0.480 4.084 4.320 0.004 -0.242 0.970 188 K C -1.923 174.791 176.600 0.191 0.000 1.537 188 K CA 0.303 56.605 56.287 0.025 0.000 1.265 188 K CB -0.605 31.779 32.500 -0.194 0.000 3.073 188 K HN 0.325 8.604 8.250 0.049 0.000 0.165 189 D N 1.725 122.211 120.400 0.142 0.000 2.710 189 D HA 0.290 5.066 4.640 0.227 0.000 0.276 189 D C -1.732 174.644 176.300 0.126 0.000 1.267 189 D CA -0.676 53.424 54.000 0.167 0.000 0.772 189 D CB 4.005 44.890 40.800 0.142 0.000 1.299 189 D HN 0.271 8.693 8.370 0.087 0.000 0.421 190 S N -1.052 114.744 115.700 0.161 0.000 2.624 190 S HA 0.222 4.843 4.470 0.095 -0.094 0.263 190 S C -0.957 173.691 174.600 0.081 0.000 1.287 190 S CA 0.392 58.669 58.200 0.127 0.000 0.990 190 S CB 1.089 64.409 63.200 0.200 0.000 0.950 190 S HN 0.228 8.663 8.310 0.207 0.000 0.561 191 c N -2.758 115.888 118.600 0.076 0.000 3.316 191 c HA 0.118 4.725 4.570 0.062 0.000 0.360 191 c C -1.086 173.076 174.090 0.119 0.000 1.560 191 c CA -0.068 56.302 56.329 0.068 0.000 1.229 191 c CB 3.846 46.370 42.510 0.024 0.000 1.823 191 c HN 0.458 9.074 8.230 0.088 -0.333 0.440 192 Q N 0.923 120.808 119.800 0.141 0.000 2.304 192 Q HA -0.259 4.211 4.340 0.217 0.000 0.301 192 Q C 1.707 177.902 176.000 0.324 0.000 1.063 192 Q CA 1.913 57.851 55.803 0.225 0.000 0.947 192 Q CB -0.313 28.574 28.738 0.249 0.000 1.201 192 Q HN 0.587 8.920 8.270 0.104 0.000 0.389 193 G N 4.105 113.108 108.800 0.338 0.000 2.241 193 G HA2 -0.483 3.826 3.960 0.323 0.000 0.244 193 G HA3 -0.483 3.838 3.960 0.602 0.000 0.244 193 G C 0.790 175.927 174.900 0.394 0.000 0.998 193 G CA 1.253 46.604 45.100 0.419 0.000 0.621 193 G HN 0.793 9.254 8.290 0.285 0.000 0.519 194 D N 1.656 122.220 120.400 0.274 0.000 2.289 194 D HA -0.025 4.758 4.640 0.239 0.000 0.207 194 D C 0.379 176.791 176.300 0.188 0.000 0.966 194 D CA 1.443 55.572 54.000 0.215 0.000 0.868 194 D CB 0.093 40.984 40.800 0.152 0.000 0.943 194 D HN 0.161 8.581 8.370 0.243 0.096 0.514 195 S N -0.760 115.057 115.700 0.194 0.000 2.642 195 S HA -0.532 4.200 4.470 0.232 -0.123 0.308 195 S C 0.752 175.382 174.600 0.049 0.000 1.255 195 S CA 3.202 61.507 58.200 0.175 0.000 1.057 195 S CB -0.318 63.011 63.200 0.216 0.000 0.785 195 S HN -0.473 7.922 8.310 0.224 0.050 0.500 196 G N 4.824 113.649 108.800 0.042 0.000 2.225 196 G HA2 -0.452 3.576 3.960 -0.002 0.000 0.254 196 G HA3 -0.452 3.589 3.960 -0.049 -0.111 0.254 196 G C -0.170 174.775 174.900 0.075 0.000 0.988 196 G CA 0.283 45.389 45.100 0.009 0.000 0.625 196 G HN 0.788 9.028 8.290 0.105 0.113 0.527 197 G N 0.726 109.597 108.800 0.119 0.000 2.588 197 G HA2 0.425 4.537 3.960 0.138 0.000 0.281 197 G HA3 0.425 4.469 3.960 0.141 0.000 0.281 197 G C -2.745 172.249 174.900 0.158 0.000 1.236 197 G CA -2.080 43.105 45.100 0.141 0.000 0.969 197 G HN -0.179 8.107 8.290 0.129 0.081 0.504 198 P HA 0.332 4.938 4.420 0.126 -0.109 0.284 198 P C -1.537 175.821 177.300 0.097 0.000 1.258 198 P CA -0.859 62.334 63.100 0.155 0.000 0.824 198 P CB 1.983 33.857 31.700 0.290 0.000 1.038 199 V N 1.339 121.267 119.914 0.023 0.000 2.349 199 V HA 0.354 4.606 4.120 -0.071 -0.174 0.284 199 V C -1.252 174.800 176.094 -0.070 0.000 1.014 199 V CA -0.958 61.293 62.300 -0.081 0.000 0.826 199 V CB 1.412 33.078 31.823 -0.262 0.000 1.009 199 V HN 0.213 8.422 8.190 0.031 0.000 0.431 200 V N 7.503 127.390 119.914 -0.046 0.000 2.459 200 V HA 0.580 4.834 4.120 -0.110 -0.201 0.295 200 V C -1.183 174.880 176.094 -0.051 0.000 1.029 200 V CA -1.728 60.524 62.300 -0.079 0.000 0.874 200 V CB 2.940 34.692 31.823 -0.119 0.000 0.985 200 V HN 0.588 8.776 8.190 -0.005 0.000 0.438 201 c N 6.804 125.368 118.600 -0.060 0.000 2.397 201 c HA 0.596 5.264 4.570 -0.033 -0.118 0.325 201 c C 0.089 174.157 174.090 -0.036 0.000 1.201 201 c CA -1.480 54.822 56.329 -0.044 0.000 1.377 201 c CB 1.711 44.189 42.510 -0.054 0.000 2.038 201 c HN 0.991 9.177 8.230 -0.073 0.000 0.457 202 N N 6.341 125.028 118.700 -0.022 0.000 2.714 202 N HA -0.368 4.367 4.740 -0.008 0.000 0.252 202 N C -0.272 175.224 175.510 -0.025 0.000 1.014 202 N CA 1.127 54.166 53.050 -0.017 0.000 0.735 202 N CB -1.621 36.856 38.487 -0.017 0.000 0.924 202 N HN 0.863 9.235 8.380 -0.014 0.000 0.540 203 G N -8.531 100.250 108.800 -0.031 0.000 2.162 203 G HA2 -0.486 3.447 3.960 -0.044 0.000 0.260 203 G HA3 -0.486 3.457 3.960 -0.028 0.000 0.260 203 G C -1.453 173.399 174.900 -0.080 0.000 0.976 203 G CA 0.180 45.253 45.100 -0.045 0.000 0.655 203 G HN 0.355 8.632 8.290 -0.022 0.000 0.533 210 Q N 0.836 120.618 119.800 -0.030 0.000 2.391 210 Q HA 0.159 4.511 4.340 0.020 0.000 0.211 210 Q C -0.075 175.940 176.000 0.024 0.000 0.908 210 Q CA 0.344 56.144 55.803 -0.004 0.000 0.920 210 Q CB 2.159 30.880 28.738 -0.030 0.000 1.056 210 Q HN 0.334 8.571 8.270 -0.056 0.000 0.523 211 G N -2.755 106.053 108.800 0.013 0.000 2.612 211 G HA2 0.570 4.871 3.960 0.128 0.000 0.298 211 G HA3 0.570 4.539 3.960 0.015 0.000 0.298 211 G C -3.211 171.770 174.900 0.134 0.000 1.336 211 G CA -0.744 44.403 45.100 0.077 0.000 0.953 211 G HN -0.403 7.878 8.290 -0.015 0.000 0.482 212 I N 0.634 121.333 120.570 0.215 0.000 2.436 212 I HA 0.633 5.126 4.170 0.190 -0.208 0.289 212 I C -0.094 176.205 176.117 0.303 0.000 1.010 212 I CA -1.647 59.779 61.300 0.210 0.000 1.098 212 I CB 3.669 41.739 38.000 0.116 0.000 1.266 212 I HN -0.188 8.158 8.210 0.227 0.000 0.434 213 V N 7.890 127.993 119.914 0.316 0.000 2.506 213 V HA -0.247 3.896 4.120 0.038 0.000 0.296 213 V C -0.859 175.303 176.094 0.114 0.000 1.004 213 V CA 2.091 64.506 62.300 0.192 0.000 1.150 213 V CB -1.916 30.038 31.823 0.218 0.000 0.911 213 V HN 0.397 8.751 8.190 0.274 0.000 0.476 214 S N 8.919 124.592 115.700 -0.046 0.000 3.393 214 S HA 0.394 5.190 4.470 0.396 -0.088 0.209 214 S C -1.504 173.180 174.600 0.139 0.000 0.897 214 S CA 0.386 58.683 58.200 0.161 0.000 0.825 214 S CB 2.723 66.030 63.200 0.178 0.000 0.898 214 S HN -0.066 7.993 8.310 -0.419 0.000 0.615 215 W N -3.254 117.896 121.300 -0.250 0.000 2.988 215 W HA 0.298 4.824 4.660 -0.223 0.000 0.355 215 W C -2.963 173.411 176.519 -0.242 0.000 1.233 215 W CA -1.068 56.133 57.345 -0.239 0.000 1.176 215 W CB 1.942 31.266 29.460 -0.225 0.000 1.477 215 W HN 0.254 8.185 8.180 -0.415 0.000 0.582 216 G N -3.012 105.878 108.800 0.150 0.000 2.488 216 G HA2 0.222 4.007 3.960 -0.292 0.000 0.301 216 G HA3 0.222 4.194 3.960 0.021 0.000 0.301 216 G C -2.740 172.391 174.900 0.385 0.000 1.339 216 G CA 0.074 45.213 45.100 0.066 0.000 0.803 216 G HN -0.000 8.524 8.290 0.390 0.000 0.482 220 c N 1.067 119.678 118.600 0.019 0.000 3.517 220 c HA 0.290 5.031 4.570 0.071 -0.128 0.202 220 c C -1.488 172.636 174.090 0.057 0.000 1.370 220 c CA -1.607 54.752 56.329 0.049 0.000 1.308 220 c CB -1.681 40.853 42.510 0.040 0.000 1.840 220 c HN 0.131 8.361 8.230 0.001 0.000 0.525 221 Q N -0.642 119.215 119.800 0.095 0.000 2.944 221 Q HA 0.061 4.446 4.340 0.076 0.000 0.247 221 Q C -1.933 174.119 176.000 0.086 0.000 0.985 221 Q CA -0.134 55.727 55.803 0.097 0.000 0.872 221 Q CB 3.229 32.058 28.738 0.151 0.000 2.052 221 Q HN 0.220 8.558 8.270 0.114 0.000 0.515 222 K N 2.978 123.415 120.400 0.063 0.000 2.448 222 K HA -0.263 4.272 4.320 0.053 -0.184 0.278 222 K C -0.067 176.543 176.600 0.017 0.000 1.009 222 K CA 0.836 57.148 56.287 0.043 0.000 0.995 222 K CB -0.025 32.494 32.500 0.031 0.000 0.917 222 K HN 0.261 8.546 8.250 0.060 0.000 0.481 223 N N 0.298 118.997 118.700 -0.002 0.000 2.714 223 N HA -0.474 4.240 4.740 -0.044 0.000 0.250 223 N C -2.085 173.341 175.510 -0.140 0.000 1.117 223 N CA 2.009 55.023 53.050 -0.060 0.000 0.719 223 N CB -1.009 37.431 38.487 -0.078 0.000 1.081 223 N HN 0.765 9.048 8.380 0.024 0.111 0.557 224 K N -3.292 117.076 120.400 -0.053 0.000 3.029 224 K HA 0.523 4.628 4.320 -0.358 0.000 0.169 224 K C -2.529 174.157 176.600 0.143 0.000 1.090 224 K CA -3.360 52.904 56.287 -0.039 0.000 0.883 224 K CB 0.184 32.755 32.500 0.117 0.000 1.080 224 K HN -0.801 7.415 8.250 0.022 0.047 0.613 225 P HA 0.000 4.511 4.420 0.152 0.000 0.272 225 P C 0.147 177.535 177.300 0.147 0.000 1.240 225 P CA -0.427 62.767 63.100 0.156 0.000 0.791 225 P CB 0.888 32.656 31.700 0.113 0.000 0.978 226 G N -1.728 107.134 108.800 0.105 0.000 2.432 226 G HA2 0.011 3.837 3.960 -0.223 0.000 0.239 226 G HA3 0.011 4.020 3.960 -0.032 -0.068 0.239 226 G C -1.345 173.384 174.900 -0.285 0.000 1.291 226 G CA 0.028 45.060 45.100 -0.112 0.000 0.863 226 G HN -0.166 8.287 8.290 0.175 -0.057 0.560 227 V N 3.927 123.358 119.914 -0.805 0.000 2.513 227 V HA 0.614 4.645 4.120 -0.429 -0.169 0.299 227 V C -0.888 174.671 176.094 -0.892 0.000 1.035 227 V CA -1.130 60.643 62.300 -0.879 0.000 0.889 227 V CB 1.673 32.444 31.823 -1.753 0.000 0.988 227 V HN 0.492 8.163 8.190 -0.864 0.000 0.440 228 Y N 5.256 125.436 120.300 -0.201 0.000 2.462 228 Y HA 0.535 5.209 4.550 -0.019 -0.136 0.346 228 Y C 0.243 176.152 175.900 0.015 0.000 0.976 228 Y CA -2.081 55.987 58.100 -0.052 0.000 1.044 228 Y CB 4.013 42.454 38.460 -0.032 0.000 1.230 228 Y HN 1.126 9.306 8.280 0.007 0.105 0.455 229 T N 5.792 120.454 114.554 0.180 0.000 2.902 229 T HA -0.124 4.453 4.350 0.166 -0.127 0.301 229 T C -0.511 174.303 174.700 0.189 0.000 1.012 229 T CA 2.136 64.328 62.100 0.153 0.000 1.151 229 T CB 0.296 69.192 68.868 0.048 0.000 0.946 229 T HN 0.460 8.808 8.240 0.180 0.000 0.542 230 K N 8.319 128.863 120.400 0.239 0.000 2.183 230 K HA 0.171 4.708 4.320 0.156 -0.123 0.272 230 K C 0.817 177.596 176.600 0.298 0.000 1.113 230 K CA -0.795 55.618 56.287 0.210 0.000 0.949 230 K CB -0.205 32.388 32.500 0.154 0.000 1.365 230 K HN 0.248 8.560 8.250 0.273 0.102 0.420 231 V N 6.370 126.428 119.914 0.239 0.000 2.568 231 V HA -0.489 3.884 4.120 0.422 0.000 0.253 231 V C 1.250 177.486 176.094 0.237 0.000 1.072 231 V CA 3.549 66.016 62.300 0.280 0.000 1.084 231 V CB -0.362 31.555 31.823 0.157 0.000 0.676 231 V HN 0.247 8.540 8.190 0.172 0.000 0.469 232 c N -4.220 114.457 118.600 0.129 0.000 2.449 232 c HA -0.158 4.452 4.570 0.066 0.000 0.283 232 c C 1.003 175.105 174.090 0.019 0.000 1.453 232 c CA 0.838 57.206 56.329 0.065 0.000 1.779 232 c CB -2.420 40.109 42.510 0.032 0.000 1.779 232 c HN 0.530 8.810 8.230 0.110 0.016 0.546 233 N N 0.736 119.413 118.700 -0.038 0.000 2.398 233 N HA -0.011 4.620 4.740 -0.183 0.000 0.188 233 N C -0.021 175.223 175.510 -0.443 0.000 1.122 233 N CA 0.659 53.536 53.050 -0.289 0.000 0.866 233 N CB -0.066 38.135 38.487 -0.477 0.000 0.970 233 N HN -0.132 8.241 8.380 0.052 0.039 0.462 234 Y N -4.152 116.214 120.300 0.110 0.000 2.588 234 Y HA 0.155 4.850 4.550 0.242 0.000 0.247 234 Y C 0.148 176.173 175.900 0.208 0.000 1.157 234 Y CA -0.784 57.439 58.100 0.206 0.000 1.215 234 Y CB 0.619 39.224 38.460 0.241 0.000 1.245 234 Y HN -0.104 8.100 8.280 0.180 0.184 0.534 235 V N 1.348 121.383 119.914 0.202 0.000 2.343 235 V HA -0.577 3.621 4.120 0.131 0.000 0.247 235 V C 1.493 177.645 176.094 0.096 0.000 1.051 235 V CA 4.667 67.042 62.300 0.126 0.000 1.036 235 V CB -0.313 31.549 31.823 0.066 0.000 0.654 235 V HN -0.319 7.947 8.190 0.128 0.000 0.451 236 N N -0.806 117.956 118.700 0.103 0.000 2.142 236 N HA -0.297 4.459 4.740 0.026 0.000 0.186 236 N C 1.458 177.036 175.510 0.112 0.000 1.023 236 N CA 3.066 56.162 53.050 0.077 0.000 0.852 236 N CB -0.812 37.720 38.487 0.075 0.000 0.998 236 N HN 0.041 8.480 8.380 0.099 0.000 0.424 237 W N 1.173 122.511 121.300 0.064 0.000 2.363 237 W HA -0.150 4.524 4.660 0.024 0.000 0.296 237 W C 1.463 177.985 176.519 0.006 0.000 1.212 237 W CA 3.288 60.675 57.345 0.070 0.000 1.260 237 W CB -0.054 29.542 29.460 0.227 0.000 1.131 237 W HN -0.312 8.115 8.180 0.413 0.000 0.530 238 I N -1.078 119.453 120.570 -0.065 0.000 2.142 238 I HA -0.722 3.019 4.170 -0.715 0.000 0.240 238 I C 1.954 177.812 176.117 -0.430 0.000 1.078 238 I CA 4.173 65.266 61.300 -0.345 0.000 1.343 238 I CB -0.328 37.631 38.000 -0.068 0.000 1.046 238 I HN 0.250 8.613 8.210 0.255 0.000 0.405 239 Q N -0.823 118.833 119.800 -0.241 0.000 2.124 239 Q HA -0.389 3.789 4.340 -0.270 0.000 0.202 239 Q C 2.448 178.284 176.000 -0.273 0.000 0.977 239 Q CA 2.980 58.643 55.803 -0.233 0.000 0.850 239 Q CB -0.597 28.070 28.738 -0.120 0.000 0.901 239 Q HN 0.050 8.247 8.270 -0.121 0.000 0.429 240 Q N -1.229 118.418 119.800 -0.255 0.000 2.119 240 Q HA -0.276 3.964 4.340 -0.166 0.000 0.201 240 Q C 2.754 178.552 176.000 -0.337 0.000 0.972 240 Q CA 3.297 58.963 55.803 -0.227 0.000 0.847 240 Q CB 0.032 28.675 28.738 -0.158 0.000 0.903 240 Q HN 0.267 8.414 8.270 -0.205 0.000 0.433 241 T N 3.108 117.324 114.554 -0.563 0.000 2.777 241 T HA -0.297 3.792 4.350 -0.436 0.000 0.266 241 T C 1.893 176.180 174.700 -0.688 0.000 1.040 241 T CA 4.932 66.646 62.100 -0.644 0.000 1.141 241 T CB -0.223 68.035 68.868 -1.018 0.000 0.868 241 T HN -0.187 7.648 8.240 -0.675 0.000 0.444 242 I N 1.103 121.144 120.570 -0.883 0.000 2.179 242 I HA -0.494 2.755 4.170 -1.537 0.000 0.242 242 I C 2.264 178.177 176.117 -0.340 0.000 1.088 242 I CA 4.176 64.898 61.300 -0.962 0.000 1.357 242 I CB -0.555 36.910 38.000 -0.893 0.000 1.051 242 I HN 0.037 7.754 8.210 -0.822 0.000 0.409 243 A N -0.621 122.047 122.820 -0.253 0.000 1.972 243 A HA -0.257 4.019 4.320 -0.073 0.000 0.219 243 A C 1.126 178.671 177.584 -0.066 0.000 1.169 243 A CA 2.673 54.641 52.037 -0.115 0.000 0.635 243 A CB -0.624 18.312 19.000 -0.105 0.000 0.810 243 A HN -0.039 7.926 8.150 -0.307 0.000 0.446 244 A N -1.779 120.988 122.820 -0.088 0.000 1.872 244 A HA -0.123 4.185 4.320 -0.020 0.000 0.214 244 A C 1.018 178.622 177.584 0.032 0.000 1.187 244 A CA 1.569 53.586 52.037 -0.033 0.000 0.614 244 A CB 0.351 19.318 19.000 -0.056 0.000 0.826 244 A HN -0.320 7.718 8.150 -0.164 0.013 0.442 245 N N 0.000 118.755 118.700 0.092 0.000 1.763 245 N HA 0.000 4.825 4.740 0.141 0.000 0.220 245 N CA 0.000 53.180 53.050 0.217 0.000 0.885 245 N CB 0.000 38.706 38.487 0.365 0.000 1.341 245 N HN 0.000 8.396 8.380 0.027 0.000 0.667