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 1i6z_1_A DATA FIRST_RESID 85 DATA SEQUENCE GSPEFMLIGE KSNPEEEVEL KKLKDLEVSA EKIANHLQEL NKELSGIQQG DATA SEQUENCE FLAKELQAEA LCKLDRKVKA TIEQFMKILE EIDTMVLPEQ FKDSRLKRKN DATA SEQUENCE LVKKVQVFLA ECDTVEQYIC QETERLQSTN LALAE 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 85 G HA2 0.000 nan 3.960 nan 0.000 0.244 85 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 85 G C 0.000 174.903 174.900 0.006 0.000 0.946 85 G CA 0.000 45.102 45.100 0.004 0.000 0.502 86 S N 1.347 117.053 115.700 0.009 0.000 2.548 86 S HA 0.448 4.924 4.470 0.011 0.000 0.168 86 S C -3.125 171.487 174.600 0.020 0.000 1.068 86 S CA -0.760 57.447 58.200 0.012 0.000 1.129 86 S CB 1.574 64.781 63.200 0.012 0.000 1.435 86 S HN 0.130 8.445 8.310 0.009 0.000 0.410 87 P HA -0.009 4.428 4.420 0.028 0.000 0.262 87 P C -1.100 176.234 177.300 0.055 0.000 1.182 87 P CA 0.053 63.170 63.100 0.028 0.000 0.761 87 P CB 0.546 32.253 31.700 0.011 0.000 0.795 88 E N 2.205 122.458 120.200 0.089 0.000 2.246 88 E HA 0.342 4.752 4.350 0.101 0.000 0.266 88 E C -1.554 175.193 176.600 0.244 0.000 0.880 88 E CA -0.479 55.992 56.400 0.118 0.000 0.762 88 E CB 1.706 31.450 29.700 0.073 0.000 1.180 88 E HN 0.124 8.537 8.360 0.088 0.000 0.416 89 F N 6.634 126.583 119.950 -0.003 0.000 2.623 89 F HA 0.252 4.778 4.527 -0.002 0.000 0.323 89 F C -1.082 174.717 175.800 -0.001 0.000 1.158 89 F CA 0.458 58.457 58.000 -0.002 0.000 1.030 89 F CB 1.273 40.272 39.000 -0.001 0.000 1.280 89 F HN 0.113 8.527 8.300 0.190 0.000 0.474 90 M N 7.375 126.751 119.600 -0.374 0.000 1.554 90 M HA 0.014 4.381 4.480 -0.189 0.000 0.221 90 M C -2.100 174.013 176.300 -0.312 0.000 0.956 90 M CA 1.264 56.414 55.300 -0.250 0.000 0.892 90 M CB 0.337 32.875 32.600 -0.103 0.000 1.799 90 M HN 0.211 8.137 8.290 -0.607 0.000 0.677 91 L N -1.981 119.049 121.223 -0.322 0.000 3.160 91 L HA 0.089 4.267 4.340 -0.269 0.000 0.335 91 L C -0.695 176.051 176.870 -0.208 0.000 1.008 91 L CA 0.685 55.379 54.840 -0.242 0.000 1.459 91 L CB 1.092 43.069 42.059 -0.137 0.000 2.451 91 L HN -0.213 7.832 8.230 -0.309 0.000 0.588 92 I N -1.258 119.210 120.570 -0.169 0.000 6.382 92 I HA -0.266 3.865 4.170 -0.066 0.000 0.126 92 I C -0.343 175.738 176.117 -0.060 0.000 1.824 92 I CA 0.696 61.939 61.300 -0.095 0.000 2.038 92 I CB -2.113 35.838 38.000 -0.083 0.000 3.480 92 I HN -0.002 8.107 8.210 -0.167 0.000 0.169 93 G N 2.955 111.723 108.800 -0.052 0.000 3.302 93 G HA2 -0.060 3.882 3.960 -0.030 0.000 0.137 93 G HA3 -0.060 3.875 3.960 -0.041 0.000 0.137 93 G C -1.094 173.786 174.900 -0.032 0.000 1.353 93 G CA 0.322 45.399 45.100 -0.038 0.000 0.965 93 G HN -0.098 8.158 8.290 -0.057 0.000 0.564 94 E N -0.417 119.761 120.200 -0.038 0.000 7.423 94 E HA -0.243 4.082 4.350 -0.042 0.000 0.390 94 E C -1.067 175.515 176.600 -0.029 0.000 0.628 94 E CA 0.274 56.653 56.400 -0.036 0.000 1.042 94 E CB 0.207 29.889 29.700 -0.031 0.000 0.940 94 E HN -0.041 8.292 8.360 -0.045 0.000 0.271 95 K N 2.815 123.196 120.400 -0.032 0.000 3.350 95 K HA 0.155 4.462 4.320 -0.022 0.000 0.181 95 K C -1.139 175.444 176.600 -0.029 0.000 1.064 95 K CA -0.605 55.666 56.287 -0.026 0.000 0.839 95 K CB -0.211 32.276 32.500 -0.021 0.000 0.819 95 K HN 0.284 8.510 8.250 -0.039 0.000 0.523 96 S N -1.122 114.558 115.700 -0.033 0.000 3.769 96 S HA -0.240 4.208 4.470 -0.038 0.000 0.656 96 S C -1.585 172.983 174.600 -0.053 0.000 1.960 96 S CA 0.581 58.759 58.200 -0.037 0.000 2.104 96 S CB 0.137 63.321 63.200 -0.027 0.000 0.328 96 S HN -0.259 8.031 8.310 -0.032 0.000 1.640 97 N N 1.394 120.058 118.700 -0.059 0.000 3.114 97 N HA 0.307 4.981 4.740 -0.110 0.000 0.289 97 N C -1.181 174.294 175.510 -0.058 0.000 1.519 97 N CA -1.424 51.574 53.050 -0.086 0.000 1.026 97 N CB 0.250 38.672 38.487 -0.107 0.000 1.306 97 N HN 0.181 8.533 8.380 -0.047 0.000 0.495 98 P HA -0.181 4.235 4.420 -0.007 0.000 0.205 98 P C 1.275 178.582 177.300 0.011 0.000 1.203 98 P CA 2.148 65.242 63.100 -0.009 0.000 0.926 98 P CB 0.367 32.066 31.700 -0.002 0.000 0.767 99 E N -0.630 119.589 120.200 0.032 0.000 2.160 99 E HA -0.414 3.988 4.350 0.087 0.000 0.195 99 E C 1.894 178.581 176.600 0.146 0.000 0.991 99 E CA 3.423 59.881 56.400 0.097 0.000 0.810 99 E CB -0.728 29.057 29.700 0.141 0.000 0.742 99 E HN 0.507 8.880 8.360 0.022 0.000 0.466 100 E N -1.386 118.813 120.200 -0.002 0.000 2.085 100 E HA -0.363 3.909 4.350 -0.130 0.000 0.194 100 E C 2.512 179.124 176.600 0.021 0.000 0.994 100 E CA 3.408 59.717 56.400 -0.152 0.000 0.801 100 E CB -0.390 29.058 29.700 -0.420 0.000 0.743 100 E HN 0.184 8.484 8.360 -0.063 0.022 0.453 101 E N -1.272 118.932 120.200 0.006 0.000 2.106 101 E HA -0.295 4.066 4.350 0.019 0.000 0.192 101 E C 2.409 179.043 176.600 0.056 0.000 0.984 101 E CA 3.047 59.462 56.400 0.023 0.000 0.806 101 E CB 0.111 29.814 29.700 0.006 0.000 0.750 101 E HN -0.630 7.616 8.360 -0.016 0.105 0.458 102 V N 0.563 120.519 119.914 0.070 0.000 2.295 102 V HA -0.537 3.613 4.120 0.050 0.000 0.246 102 V C 2.098 178.245 176.094 0.088 0.000 1.049 102 V CA 5.071 67.413 62.300 0.070 0.000 1.024 102 V CB -0.220 31.643 31.823 0.066 0.000 0.648 102 V HN -0.330 7.809 8.190 0.067 0.091 0.447 103 E N -1.304 118.986 120.200 0.150 0.000 2.153 103 E HA -0.331 4.065 4.350 0.077 0.000 0.194 103 E C 2.745 179.421 176.600 0.126 0.000 0.988 103 E CA 3.158 59.643 56.400 0.142 0.000 0.811 103 E CB -0.149 29.689 29.700 0.231 0.000 0.746 103 E HN 0.010 8.492 8.360 0.204 0.000 0.466 104 L N 0.226 121.533 121.223 0.139 0.000 2.109 104 L HA -0.108 4.297 4.340 0.108 0.000 0.207 104 L C 1.496 178.405 176.870 0.064 0.000 1.086 104 L CA 2.690 57.590 54.840 0.100 0.000 0.760 104 L CB -0.182 41.926 42.059 0.082 0.000 0.910 104 L HN -0.351 7.865 8.230 0.155 0.107 0.437 105 K N -0.839 119.594 120.400 0.055 0.000 2.057 105 K HA -0.451 3.890 4.320 0.035 0.000 0.207 105 K C 2.429 179.050 176.600 0.036 0.000 1.049 105 K CA 4.144 60.455 56.287 0.039 0.000 0.931 105 K CB -0.299 32.221 32.500 0.033 0.000 0.714 105 K HN 0.357 8.447 8.250 0.063 0.197 0.440 106 K N -1.117 119.306 120.400 0.038 0.000 2.057 106 K HA -0.285 4.049 4.320 0.024 0.000 0.206 106 K C 2.366 178.985 176.600 0.032 0.000 1.050 106 K CA 3.043 59.347 56.287 0.029 0.000 0.935 106 K CB -0.302 32.213 32.500 0.024 0.000 0.715 106 K HN -0.630 7.635 8.250 0.045 0.012 0.439 107 L N -0.514 120.734 121.223 0.041 0.000 2.079 107 L HA -0.303 4.061 4.340 0.040 0.000 0.210 107 L C 1.322 178.220 176.870 0.046 0.000 1.081 107 L CA 3.163 58.030 54.840 0.044 0.000 0.752 107 L CB -0.879 41.212 42.059 0.054 0.000 0.896 107 L HN -0.600 7.591 8.230 0.047 0.068 0.433 108 K N -0.544 119.882 120.400 0.044 0.000 2.032 108 K HA -0.437 3.911 4.320 0.045 0.000 0.209 108 K C 2.003 178.625 176.600 0.038 0.000 1.048 108 K CA 3.925 60.237 56.287 0.041 0.000 0.927 108 K CB -0.393 32.128 32.500 0.036 0.000 0.712 108 K HN 0.047 8.232 8.250 0.044 0.092 0.441 109 D N -0.069 120.350 120.400 0.031 0.000 2.149 109 D HA -0.269 4.384 4.640 0.021 0.000 0.198 109 D C 2.214 178.529 176.300 0.026 0.000 0.990 109 D CA 3.331 57.345 54.000 0.024 0.000 0.839 109 D CB 0.132 40.942 40.800 0.017 0.000 0.948 109 D HN -0.586 7.732 8.370 0.030 0.071 0.460 110 L N -0.526 120.717 121.223 0.033 0.000 2.017 110 L HA -0.388 3.969 4.340 0.028 0.000 0.208 110 L C 1.677 178.582 176.870 0.058 0.000 1.073 110 L CA 3.063 57.927 54.840 0.040 0.000 0.745 110 L CB -0.020 42.067 42.059 0.046 0.000 0.894 110 L HN -0.354 7.776 8.230 0.035 0.121 0.432 111 E N -0.612 119.630 120.200 0.070 0.000 2.110 111 E HA -0.350 4.077 4.350 0.129 0.000 0.193 111 E C 2.554 179.202 176.600 0.080 0.000 0.988 111 E CA 3.320 59.778 56.400 0.098 0.000 0.804 111 E CB -0.024 29.734 29.700 0.097 0.000 0.745 111 E HN -0.717 7.681 8.360 0.062 0.000 0.458 112 V N 0.602 120.547 119.914 0.051 0.000 2.307 112 V HA -0.532 3.613 4.120 0.042 0.000 0.245 112 V C 2.075 178.175 176.094 0.009 0.000 1.045 112 V CA 4.555 66.874 62.300 0.033 0.000 1.024 112 V CB -0.161 31.675 31.823 0.022 0.000 0.651 112 V HN -0.487 7.636 8.190 0.047 0.095 0.449 113 S N -0.193 115.507 115.700 -0.000 0.000 2.383 113 S HA -0.369 4.078 4.470 -0.038 0.000 0.229 113 S C 2.004 176.565 174.600 -0.065 0.000 1.030 113 S CA 4.092 62.273 58.200 -0.032 0.000 1.002 113 S CB -0.303 62.880 63.200 -0.029 0.000 0.829 113 S HN 0.149 8.466 8.310 0.012 0.000 0.467 114 A N 1.644 124.450 122.820 -0.023 0.000 1.898 114 A HA -0.374 3.881 4.320 -0.107 0.000 0.216 114 A C 1.466 178.984 177.584 -0.109 0.000 1.181 114 A CA 3.291 55.316 52.037 -0.019 0.000 0.620 114 A CB -0.918 18.162 19.000 0.132 0.000 0.819 114 A HN -0.055 7.999 8.150 0.017 0.106 0.442 115 E N -1.364 118.817 120.200 -0.031 0.000 2.118 115 E HA -0.309 4.051 4.350 0.017 0.000 0.195 115 E C 2.568 179.158 176.600 -0.016 0.000 0.992 115 E CA 2.839 59.243 56.400 0.006 0.000 0.804 115 E CB -0.316 29.421 29.700 0.061 0.000 0.741 115 E HN 0.069 8.228 8.360 0.015 0.209 0.458 116 K N -0.311 120.066 120.400 -0.039 0.000 2.025 116 K HA -0.224 4.085 4.320 -0.019 0.000 0.207 116 K C 2.526 179.093 176.600 -0.055 0.000 1.049 116 K CA 3.367 59.629 56.287 -0.041 0.000 0.933 116 K CB -0.005 32.465 32.500 -0.051 0.000 0.714 116 K HN 0.036 8.049 8.250 -0.040 0.213 0.438 117 I N -0.886 119.596 120.570 -0.147 0.000 2.179 117 I HA -0.512 3.582 4.170 -0.126 0.000 0.242 117 I C 1.974 178.015 176.117 -0.127 0.000 1.088 117 I CA 3.831 64.990 61.300 -0.236 0.000 1.357 117 I CB -0.461 37.149 38.000 -0.649 0.000 1.051 117 I HN -0.317 7.716 8.210 -0.176 0.072 0.409 118 A N -1.360 121.418 122.820 -0.069 0.000 1.933 118 A HA -0.405 4.029 4.320 0.191 0.000 0.218 118 A C 1.743 179.390 177.584 0.105 0.000 1.175 118 A CA 3.134 55.223 52.037 0.086 0.000 0.628 118 A CB -0.726 18.285 19.000 0.019 0.000 0.814 118 A HN 0.480 8.547 8.150 -0.139 0.000 0.444 119 N N -1.795 116.947 118.700 0.070 0.000 2.188 119 N HA -0.278 4.514 4.740 0.086 0.000 0.184 119 N C 1.832 177.408 175.510 0.110 0.000 1.018 119 N CA 2.742 55.838 53.050 0.076 0.000 0.858 119 N CB 0.049 38.561 38.487 0.041 0.000 0.989 119 N HN -0.179 8.006 8.380 0.030 0.214 0.426 120 H N 1.474 120.529 119.070 -0.024 0.000 2.387 120 H HA -0.197 4.344 4.556 -0.025 0.000 0.299 120 H C 2.193 177.514 175.328 -0.012 0.000 1.099 120 H CA 2.496 58.526 56.048 -0.030 0.000 1.315 120 H CB -0.154 29.572 29.762 -0.060 0.000 1.380 120 H HN -0.014 8.264 8.280 0.138 0.085 0.513 121 L N -0.718 120.557 121.223 0.086 0.000 1.994 121 L HA -0.450 3.850 4.340 -0.067 0.000 0.208 121 L C 2.165 179.070 176.870 0.058 0.000 1.071 121 L CA 3.529 58.382 54.840 0.022 0.000 0.745 121 L CB -0.326 41.770 42.059 0.061 0.000 0.892 121 L HN -0.423 7.852 8.230 0.095 0.012 0.431 122 Q N -2.260 117.590 119.800 0.083 0.000 2.170 122 Q HA -0.403 3.970 4.340 0.055 0.000 0.203 122 Q C 2.955 178.992 176.000 0.062 0.000 0.976 122 Q CA 3.333 59.176 55.803 0.067 0.000 0.858 122 Q CB -0.516 28.265 28.738 0.071 0.000 0.907 122 Q HN -0.542 7.787 8.270 0.099 0.000 0.433 123 E N 0.521 120.774 120.200 0.088 0.000 2.028 123 E HA -0.244 4.136 4.350 0.050 0.000 0.190 123 E C 2.400 179.050 176.600 0.083 0.000 0.984 123 E CA 3.047 59.495 56.400 0.081 0.000 0.800 123 E CB -0.200 29.553 29.700 0.090 0.000 0.758 123 E HN -0.396 7.924 8.360 0.114 0.109 0.448 124 L N -0.673 120.622 121.223 0.120 0.000 2.083 124 L HA -0.305 4.079 4.340 0.073 0.000 0.209 124 L C 1.500 178.381 176.870 0.020 0.000 1.083 124 L CA 3.361 58.239 54.840 0.064 0.000 0.752 124 L CB -0.356 41.700 42.059 -0.005 0.000 0.899 124 L HN 0.304 8.529 8.230 0.176 0.111 0.433 125 N N -0.452 118.260 118.700 0.020 0.000 2.166 125 N HA -0.407 4.332 4.740 -0.001 0.000 0.186 125 N C 2.179 177.692 175.510 0.005 0.000 1.019 125 N CA 3.759 56.814 53.050 0.008 0.000 0.856 125 N CB -0.210 38.286 38.487 0.015 0.000 0.993 125 N HN 0.510 8.705 8.380 0.034 0.205 0.426 126 K N 0.594 121.002 120.400 0.013 0.000 2.025 126 K HA -0.298 4.024 4.320 0.003 0.000 0.207 126 K C 2.382 178.980 176.600 -0.002 0.000 1.049 126 K CA 3.451 59.742 56.287 0.006 0.000 0.933 126 K CB -0.005 32.502 32.500 0.011 0.000 0.714 126 K HN -0.348 7.810 8.250 0.024 0.106 0.438 127 E N -0.524 119.675 120.200 -0.002 0.000 2.106 127 E HA -0.290 4.048 4.350 -0.021 0.000 0.192 127 E C 2.483 179.066 176.600 -0.029 0.000 0.984 127 E CA 3.049 59.439 56.400 -0.016 0.000 0.806 127 E CB 0.139 29.832 29.700 -0.012 0.000 0.750 127 E HN -0.672 7.694 8.360 0.009 0.000 0.458 128 L N 0.528 121.739 121.223 -0.021 0.000 2.027 128 L HA -0.257 4.060 4.340 -0.038 0.000 0.206 128 L C 1.827 178.683 176.870 -0.022 0.000 1.074 128 L CA 3.316 58.140 54.840 -0.026 0.000 0.745 128 L CB 0.106 42.154 42.059 -0.019 0.000 0.898 128 L HN 0.224 8.447 8.230 -0.011 0.000 0.433 129 S N -1.389 114.302 115.700 -0.016 0.000 2.399 129 S HA -0.341 4.122 4.470 -0.012 0.000 0.231 129 S C 2.534 177.128 174.600 -0.010 0.000 1.022 129 S CA 4.463 62.656 58.200 -0.013 0.000 0.983 129 S CB -0.341 62.852 63.200 -0.012 0.000 0.803 129 S HN 0.185 8.382 8.310 -0.013 0.105 0.480 130 G N 0.420 109.211 108.800 -0.015 0.000 2.402 130 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.216 130 G HA3 -0.193 3.756 3.960 -0.018 0.000 0.216 130 G C 1.548 176.436 174.900 -0.020 0.000 1.162 130 G CA 1.712 46.803 45.100 -0.014 0.000 0.777 130 G HN -0.469 7.699 8.290 -0.017 0.112 0.539 131 I N 2.573 123.114 120.570 -0.049 0.000 2.315 131 I HA -0.464 3.638 4.170 -0.114 0.000 0.248 131 I C 2.029 178.136 176.117 -0.016 0.000 1.117 131 I CA 3.273 64.523 61.300 -0.083 0.000 1.404 131 I CB -0.102 37.814 38.000 -0.139 0.000 1.071 131 I HN -0.197 7.911 8.210 -0.050 0.072 0.419 132 Q N -1.200 118.596 119.800 -0.006 0.000 2.234 132 Q HA -0.350 4.131 4.340 0.020 -0.129 0.206 132 Q C 2.250 178.269 176.000 0.032 0.000 0.980 132 Q CA 2.725 58.537 55.803 0.014 0.000 0.869 132 Q CB -0.459 28.281 28.738 0.003 0.000 0.912 132 Q HN 0.429 8.472 8.270 -0.018 0.217 0.436 133 Q N -2.470 117.349 119.800 0.032 0.000 2.268 133 Q HA -0.283 4.075 4.340 0.030 0.000 0.210 133 Q C 0.358 176.397 176.000 0.064 0.000 0.988 133 Q CA 1.364 57.192 55.803 0.041 0.000 0.883 133 Q CB 0.666 29.428 28.738 0.041 0.000 0.911 133 Q HN -0.695 7.445 8.270 0.020 0.142 0.430 134 G N -3.140 105.721 108.800 0.101 0.000 2.318 134 G HA2 -0.101 3.924 3.960 0.110 0.000 0.302 134 G HA3 -0.101 3.917 3.960 0.097 0.000 0.302 134 G C -2.485 172.577 174.900 0.271 0.000 1.633 134 G CA -0.137 45.042 45.100 0.131 0.000 0.965 134 G HN -0.511 7.697 8.290 0.101 0.143 0.698 135 F N 0.331 120.283 119.950 0.004 0.000 1.837 135 F HA 0.117 4.646 4.527 0.003 0.000 0.371 135 F C -1.985 173.817 175.800 0.004 0.000 1.006 135 F CA 0.762 58.765 58.000 0.004 0.000 1.120 135 F CB 0.821 39.824 39.000 0.004 0.000 1.527 135 F HN -0.111 8.290 8.300 0.168 0.000 0.423 136 L N -0.881 120.445 121.223 0.172 0.000 2.230 136 L HA 0.432 4.781 4.340 0.015 0.000 0.255 136 L C -0.668 176.233 176.870 0.052 0.000 1.039 136 L CA -0.916 53.973 54.840 0.082 0.000 0.846 136 L CB 2.403 44.536 42.059 0.124 0.000 1.419 136 L HN -0.459 7.904 8.230 0.222 0.000 0.435 137 A N -0.137 122.702 122.820 0.033 0.000 2.262 137 A HA 0.192 4.524 4.320 0.020 0.000 0.273 137 A C 0.798 178.401 177.584 0.032 0.000 1.202 137 A CA -0.031 52.021 52.037 0.024 0.000 0.811 137 A CB 1.143 20.152 19.000 0.015 0.000 1.159 137 A HN 0.035 8.202 8.150 0.029 0.000 0.505 138 K N -0.754 119.661 120.400 0.025 0.000 2.147 138 K HA -0.361 3.977 4.320 0.030 0.000 0.205 138 K C 2.105 178.720 176.600 0.026 0.000 1.049 138 K CA 3.149 59.451 56.287 0.026 0.000 0.936 138 K CB -0.214 32.299 32.500 0.021 0.000 0.722 138 K HN 0.409 8.671 8.250 0.020 0.000 0.446 139 E N -1.561 118.653 120.200 0.023 0.000 2.058 139 E HA -0.313 4.049 4.350 0.019 0.000 0.194 139 E C 2.158 178.774 176.600 0.026 0.000 0.997 139 E CA 3.257 59.670 56.400 0.022 0.000 0.801 139 E CB -0.361 29.350 29.700 0.018 0.000 0.746 139 E HN 0.298 8.648 8.360 0.021 0.023 0.450 140 L N -1.457 119.787 121.223 0.034 0.000 2.162 140 L HA -0.297 4.063 4.340 0.034 0.000 0.205 140 L C 1.779 178.674 176.870 0.041 0.000 1.086 140 L CA 2.833 57.698 54.840 0.041 0.000 0.778 140 L CB 0.055 42.149 42.059 0.057 0.000 0.928 140 L HN -0.617 7.633 8.230 0.034 0.000 0.446 141 Q N -0.906 118.921 119.800 0.045 0.000 2.030 141 Q HA -0.423 3.944 4.340 0.045 0.000 0.204 141 Q C 2.550 178.570 176.000 0.032 0.000 0.986 141 Q CA 3.140 58.968 55.803 0.042 0.000 0.843 141 Q CB -0.558 28.206 28.738 0.044 0.000 0.904 141 Q HN 0.272 8.569 8.270 0.046 0.000 0.420 142 A N -1.703 121.135 122.820 0.030 0.000 1.969 142 A HA -0.215 4.122 4.320 0.029 0.000 0.218 142 A C 2.128 179.726 177.584 0.023 0.000 1.169 142 A CA 3.110 55.163 52.037 0.027 0.000 0.635 142 A CB -0.695 18.320 19.000 0.025 0.000 0.810 142 A HN 0.439 8.491 8.150 0.030 0.116 0.445 143 E N -0.737 119.477 120.200 0.023 0.000 2.072 143 E HA -0.249 4.111 4.350 0.017 0.000 0.191 143 E C 2.327 178.937 176.600 0.017 0.000 0.985 143 E CA 2.460 58.872 56.400 0.019 0.000 0.801 143 E CB -0.409 29.304 29.700 0.021 0.000 0.750 143 E HN -0.588 7.684 8.360 0.025 0.104 0.452 144 A N -0.417 122.415 122.820 0.019 0.000 1.930 144 A HA -0.246 4.079 4.320 0.008 0.000 0.217 144 A C 2.122 179.712 177.584 0.010 0.000 1.175 144 A CA 3.061 55.106 52.037 0.012 0.000 0.627 144 A CB -0.459 18.548 19.000 0.012 0.000 0.815 144 A HN 0.637 8.606 8.150 0.024 0.196 0.443 145 L N -1.526 119.707 121.223 0.017 0.000 2.027 145 L HA -0.282 4.067 4.340 0.015 0.000 0.206 145 L C 1.731 178.613 176.870 0.020 0.000 1.074 145 L CA 3.365 58.217 54.840 0.020 0.000 0.745 145 L CB -0.498 41.579 42.059 0.030 0.000 0.898 145 L HN -0.166 8.076 8.230 0.020 0.000 0.433 146 C N -2.772 116.539 119.300 0.019 0.000 2.413 146 C HA -0.268 4.593 4.460 0.020 -0.389 0.276 146 C C 2.270 177.266 174.990 0.010 0.000 1.248 146 C CA 2.432 61.460 59.018 0.016 0.000 1.742 146 C CB -0.101 27.648 27.740 0.015 0.000 2.017 146 C HN -0.060 8.182 8.230 0.020 0.000 0.481 147 K N 1.279 121.683 120.400 0.007 0.000 2.148 147 K HA -0.225 4.096 4.320 0.001 0.000 0.204 147 K C 1.764 178.362 176.600 -0.004 0.000 1.050 147 K CA 2.621 58.909 56.287 0.001 0.000 0.942 147 K CB -0.390 32.110 32.500 0.001 0.000 0.724 147 K HN -0.603 7.647 8.250 0.009 0.005 0.446 148 L N 0.171 121.392 121.223 -0.002 0.000 2.027 148 L HA -0.247 4.083 4.340 -0.018 0.000 0.206 148 L C 1.614 178.481 176.870 -0.005 0.000 1.074 148 L CA 3.321 58.156 54.840 -0.008 0.000 0.745 148 L CB -0.831 41.225 42.059 -0.003 0.000 0.898 148 L HN 0.151 8.154 8.230 0.003 0.228 0.433 149 D N -1.288 119.117 120.400 0.009 0.000 2.117 149 D HA -0.314 4.337 4.640 0.018 0.000 0.197 149 D C 2.270 178.575 176.300 0.009 0.000 0.987 149 D CA 3.124 57.134 54.000 0.017 0.000 0.829 149 D CB -0.719 40.099 40.800 0.031 0.000 0.961 149 D HN 0.620 8.887 8.370 0.013 0.110 0.460 150 R N -0.558 119.944 120.500 0.004 0.000 2.105 150 R HA -0.323 4.020 4.340 0.005 0.000 0.239 150 R C 2.276 178.570 176.300 -0.010 0.000 1.135 150 R CA 2.438 58.538 56.100 0.000 0.000 0.967 150 R CB -0.736 29.564 30.300 -0.000 0.000 0.861 150 R HN -0.298 7.976 8.270 0.005 0.000 0.442 151 K N -0.740 119.648 120.400 -0.020 0.000 2.148 151 K HA -0.176 4.122 4.320 -0.036 0.000 0.204 151 K C 2.194 178.764 176.600 -0.050 0.000 1.050 151 K CA 2.480 58.743 56.287 -0.039 0.000 0.942 151 K CB -0.385 32.085 32.500 -0.050 0.000 0.724 151 K HN -0.598 7.547 8.250 -0.016 0.095 0.446 152 V N 0.022 119.915 119.914 -0.034 0.000 2.407 152 V HA -0.392 3.699 4.120 -0.050 0.000 0.248 152 V C 2.370 178.462 176.094 -0.002 0.000 1.055 152 V CA 3.923 66.210 62.300 -0.022 0.000 1.049 152 V CB -1.020 30.807 31.823 0.006 0.000 0.662 152 V HN -0.251 7.799 8.190 -0.022 0.128 0.455 153 K N -0.723 119.679 120.400 0.004 0.000 2.063 153 K HA -0.433 3.906 4.320 0.032 0.000 0.208 153 K C 2.199 178.800 176.600 0.002 0.000 1.048 153 K CA 4.001 60.297 56.287 0.014 0.000 0.928 153 K CB -0.300 32.207 32.500 0.011 0.000 0.713 153 K HN 0.019 8.134 8.250 -0.000 0.134 0.442 154 A N -2.477 120.330 122.820 -0.021 0.000 1.933 154 A HA -0.237 4.068 4.320 -0.026 0.000 0.218 154 A C 2.159 179.705 177.584 -0.062 0.000 1.175 154 A CA 2.988 55.002 52.037 -0.037 0.000 0.628 154 A CB -0.862 18.110 19.000 -0.046 0.000 0.814 154 A HN -0.600 7.432 8.150 -0.024 0.104 0.444 155 T N 1.074 115.581 114.554 -0.077 0.000 2.821 155 T HA -0.368 3.861 4.350 -0.201 0.000 0.267 155 T C 2.129 176.775 174.700 -0.090 0.000 1.046 155 T CA 4.506 66.525 62.100 -0.136 0.000 1.139 155 T CB -0.405 68.390 68.868 -0.122 0.000 0.871 155 T HN -0.318 7.767 8.240 -0.063 0.117 0.454 156 I N 1.352 121.953 120.570 0.050 0.000 2.226 156 I HA -0.541 3.848 4.170 0.364 0.000 0.245 156 I C 1.760 177.951 176.117 0.123 0.000 1.100 156 I CA 4.159 65.562 61.300 0.172 0.000 1.374 156 I CB -0.375 37.705 38.000 0.133 0.000 1.057 156 I HN -0.358 7.766 8.210 0.035 0.107 0.413 157 E N -0.517 119.707 120.200 0.040 0.000 2.085 157 E HA -0.448 3.930 4.350 0.046 0.000 0.194 157 E C 2.401 179.001 176.600 -0.001 0.000 0.994 157 E CA 3.920 60.333 56.400 0.023 0.000 0.801 157 E CB -0.415 29.284 29.700 -0.002 0.000 0.743 157 E HN -0.338 7.956 8.360 0.020 0.078 0.453 158 Q N -1.474 118.277 119.800 -0.082 0.000 2.096 158 Q HA -0.330 3.952 4.340 -0.098 0.000 0.204 158 Q C 2.777 178.715 176.000 -0.103 0.000 0.982 158 Q CA 2.913 58.624 55.803 -0.154 0.000 0.850 158 Q CB -0.211 28.342 28.738 -0.309 0.000 0.901 158 Q HN -0.608 7.503 8.270 -0.106 0.095 0.422 159 F N -0.942 118.997 119.950 -0.020 0.000 2.171 159 F HA -0.334 4.181 4.527 -0.020 0.000 0.300 159 F C 2.168 177.982 175.800 0.023 0.000 1.090 159 F CA 2.954 60.954 58.000 0.001 0.000 1.293 159 F CB -0.678 38.343 39.000 0.034 0.000 1.013 159 F HN -0.707 7.446 8.300 -0.103 0.085 0.486 160 M N 0.034 119.752 119.600 0.197 0.000 2.117 160 M HA -0.600 3.954 4.480 0.124 0.000 0.262 160 M C 1.883 178.233 176.300 0.083 0.000 1.065 160 M CA 4.378 59.750 55.300 0.119 0.000 1.114 160 M CB -0.420 32.227 32.600 0.079 0.000 1.361 160 M HN 0.073 8.345 8.290 0.176 0.123 0.408 161 K N -1.271 119.164 120.400 0.058 0.000 2.152 161 K HA -0.237 4.100 4.320 0.029 0.000 0.206 161 K C 2.833 179.461 176.600 0.047 0.000 1.048 161 K CA 3.216 59.524 56.287 0.034 0.000 0.933 161 K CB -0.485 32.019 32.500 0.006 0.000 0.721 161 K HN -0.019 8.175 8.250 0.050 0.085 0.447 162 I N -0.455 120.162 120.570 0.079 0.000 2.179 162 I HA -0.474 3.734 4.170 0.063 0.000 0.242 162 I C 1.866 178.031 176.117 0.080 0.000 1.088 162 I CA 3.773 65.127 61.300 0.091 0.000 1.357 162 I CB -0.386 37.711 38.000 0.160 0.000 1.051 162 I HN -0.604 7.546 8.210 0.100 0.120 0.409 163 L N 0.383 121.660 121.223 0.089 0.000 2.027 163 L HA -0.463 3.914 4.340 0.061 0.000 0.206 163 L C 2.106 179.002 176.870 0.044 0.000 1.074 163 L CA 3.679 58.557 54.840 0.065 0.000 0.745 163 L CB -0.035 42.063 42.059 0.065 0.000 0.898 163 L HN -0.527 7.771 8.230 0.113 0.000 0.433 164 E N -0.938 119.287 120.200 0.042 0.000 2.110 164 E HA -0.420 3.944 4.350 0.024 0.000 0.193 164 E C 2.697 179.310 176.600 0.021 0.000 0.988 164 E CA 3.647 60.063 56.400 0.028 0.000 0.804 164 E CB -0.275 29.440 29.700 0.025 0.000 0.745 164 E HN 0.332 8.723 8.360 0.052 0.000 0.458 165 E N -1.289 118.925 120.200 0.023 0.000 2.047 165 E HA -0.215 4.141 4.350 0.010 0.000 0.191 165 E C 2.300 178.908 176.600 0.013 0.000 0.987 165 E CA 2.572 58.981 56.400 0.015 0.000 0.799 165 E CB 0.050 29.761 29.700 0.017 0.000 0.752 165 E HN 0.004 8.256 8.360 0.032 0.127 0.449 166 I N -1.128 119.455 120.570 0.021 0.000 2.315 166 I HA -0.350 3.827 4.170 0.010 0.000 0.248 166 I C 1.970 178.093 176.117 0.010 0.000 1.117 166 I CA 3.415 64.725 61.300 0.017 0.000 1.404 166 I CB 0.147 38.163 38.000 0.028 0.000 1.071 166 I HN -0.177 8.052 8.210 0.031 0.000 0.419 167 D N -0.542 119.867 120.400 0.014 0.000 2.182 167 D HA -0.207 4.438 4.640 0.009 0.000 0.201 167 D C 0.751 177.053 176.300 0.003 0.000 0.986 167 D CA 2.716 56.722 54.000 0.010 0.000 0.847 167 D CB 0.353 41.161 40.800 0.014 0.000 0.942 167 D HN 0.335 8.511 8.370 0.020 0.206 0.467 168 T N -5.140 109.415 114.554 0.002 0.000 3.251 168 T HA 0.067 4.415 4.350 -0.005 0.000 0.259 168 T C -0.016 174.677 174.700 -0.010 0.000 0.998 168 T CA -0.875 61.223 62.100 -0.004 0.000 0.905 168 T CB 0.331 69.198 68.868 -0.002 0.000 1.067 168 T HN -0.493 7.625 8.240 0.005 0.125 0.569 169 M N 2.756 122.348 119.600 -0.013 0.000 2.423 169 M HA 0.154 4.618 4.480 -0.027 0.000 0.335 169 M C -0.853 175.426 176.300 -0.036 0.000 1.177 169 M CA -0.186 55.099 55.300 -0.025 0.000 1.038 169 M CB 2.553 35.138 32.600 -0.024 0.000 1.641 169 M HN -0.514 7.596 8.290 -0.009 0.175 0.455 170 V N 3.098 122.980 119.914 -0.053 0.000 2.459 170 V HA 0.203 4.293 4.120 -0.051 0.000 0.295 170 V C -1.205 174.825 176.094 -0.107 0.000 1.029 170 V CA -0.078 62.183 62.300 -0.064 0.000 0.874 170 V CB 0.687 32.476 31.823 -0.057 0.000 0.985 170 V HN 0.223 8.379 8.190 -0.056 0.000 0.438 171 L N 6.618 127.777 121.223 -0.106 0.000 2.666 171 L HA 0.323 4.521 4.340 -0.237 0.000 0.259 171 L C -2.150 174.661 176.870 -0.098 0.000 0.919 171 L CA -1.703 53.038 54.840 -0.166 0.000 0.927 171 L CB 3.090 45.038 42.059 -0.185 0.000 1.423 171 L HN 0.033 8.219 8.230 -0.073 0.000 0.426 172 P HA 0.138 4.551 4.420 -0.012 0.000 0.302 172 P C -0.999 176.321 177.300 0.032 0.000 1.301 172 P CA -0.584 62.508 63.100 -0.013 0.000 0.745 172 P CB 0.952 32.660 31.700 0.014 0.000 1.331 173 E N -2.155 118.077 120.200 0.053 0.000 2.349 173 E HA 0.017 4.405 4.350 0.063 0.000 0.201 173 E C -0.032 176.624 176.600 0.094 0.000 1.087 173 E CA 0.316 56.755 56.400 0.064 0.000 1.128 173 E CB -0.508 29.216 29.700 0.041 0.000 1.188 173 E HN 0.138 8.524 8.360 0.044 0.000 0.445 174 Q N -2.113 117.785 119.800 0.163 0.000 2.387 174 Q HA -0.023 4.376 4.340 0.098 0.000 0.208 174 Q C 0.171 176.295 176.000 0.207 0.000 0.935 174 Q CA 0.688 56.599 55.803 0.180 0.000 0.891 174 Q CB 0.459 29.334 28.738 0.228 0.000 1.007 174 Q HN -0.199 8.084 8.270 0.188 0.100 0.548 175 F N 0.103 120.053 119.950 0.000 0.000 2.604 175 F HA 0.037 4.564 4.527 0.001 0.000 0.337 175 F C 0.640 176.442 175.800 0.003 0.000 1.294 175 F CA -0.373 57.628 58.000 0.002 0.000 1.066 175 F CB -1.868 37.134 39.000 0.003 0.000 1.391 175 F HN -0.041 8.665 8.300 0.677 0.000 0.652 176 K N 3.786 124.239 120.400 0.088 0.000 2.001 176 K HA -0.336 4.027 4.320 0.071 0.000 0.208 176 K C 1.673 178.307 176.600 0.056 0.000 1.048 176 K CA 4.540 60.862 56.287 0.058 0.000 0.932 176 K CB -0.011 32.500 32.500 0.019 0.000 0.715 176 K HN -0.291 7.954 8.250 0.018 0.016 0.437 177 D N -1.189 119.232 120.400 0.035 0.000 2.097 177 D HA -0.174 4.484 4.640 0.030 0.000 0.197 177 D C 2.290 178.634 176.300 0.073 0.000 0.984 177 D CA 3.835 57.856 54.000 0.036 0.000 0.826 177 D CB -0.814 39.990 40.800 0.007 0.000 0.973 177 D HN 0.250 8.621 8.370 0.002 0.000 0.460 178 S N -0.466 115.313 115.700 0.131 0.000 2.359 178 S HA -0.308 4.242 4.470 0.132 0.000 0.224 178 S C 1.676 176.350 174.600 0.123 0.000 1.035 178 S CA 3.535 61.840 58.200 0.175 0.000 1.018 178 S CB 0.091 63.514 63.200 0.371 0.000 0.876 178 S HN -0.092 8.300 8.310 0.136 0.000 0.448 179 R N 1.441 122.018 120.500 0.128 0.000 2.066 179 R HA -0.236 4.141 4.340 0.062 0.000 0.232 179 R C 2.003 178.336 176.300 0.056 0.000 1.131 179 R CA 3.108 59.256 56.100 0.079 0.000 0.955 179 R CB -0.280 30.067 30.300 0.079 0.000 0.851 179 R HN -0.485 7.888 8.270 0.171 0.000 0.432 180 L N -0.433 120.823 121.223 0.054 0.000 2.079 180 L HA -0.276 4.083 4.340 0.032 0.000 0.210 180 L C 2.161 179.053 176.870 0.037 0.000 1.081 180 L CA 2.903 57.766 54.840 0.038 0.000 0.752 180 L CB -1.118 40.960 42.059 0.032 0.000 0.896 180 L HN 0.148 8.416 8.230 0.063 0.000 0.433 181 K N -1.540 118.888 120.400 0.046 0.000 2.057 181 K HA -0.304 4.040 4.320 0.039 0.000 0.206 181 K C 2.996 179.623 176.600 0.045 0.000 1.050 181 K CA 2.929 59.243 56.287 0.046 0.000 0.935 181 K CB -0.428 32.104 32.500 0.054 0.000 0.715 181 K HN 0.013 8.189 8.250 0.056 0.108 0.439 182 R N -0.761 119.766 120.500 0.045 0.000 2.066 182 R HA -0.339 4.027 4.340 0.043 0.000 0.232 182 R C 2.358 178.678 176.300 0.033 0.000 1.131 182 R CA 3.862 59.986 56.100 0.039 0.000 0.955 182 R CB -0.089 30.230 30.300 0.032 0.000 0.851 182 R HN -0.252 7.953 8.270 0.050 0.094 0.432 183 K N -0.910 119.507 120.400 0.028 0.000 2.032 183 K HA -0.408 3.924 4.320 0.019 0.000 0.209 183 K C 2.321 178.931 176.600 0.017 0.000 1.048 183 K CA 3.800 60.099 56.287 0.020 0.000 0.927 183 K CB -0.302 32.209 32.500 0.018 0.000 0.712 183 K HN 0.117 8.386 8.250 0.031 0.000 0.441 184 N N -1.082 117.629 118.700 0.018 0.000 2.166 184 N HA -0.255 4.485 4.740 0.000 0.000 0.186 184 N C 2.231 177.751 175.510 0.017 0.000 1.019 184 N CA 2.894 55.950 53.050 0.011 0.000 0.856 184 N CB -0.050 38.445 38.487 0.014 0.000 0.993 184 N HN -0.461 7.933 8.380 0.023 0.000 0.426 185 L N -0.394 120.851 121.223 0.036 0.000 2.093 185 L HA -0.279 4.104 4.340 0.073 0.000 0.208 185 L C 1.628 178.532 176.870 0.055 0.000 1.085 185 L CA 3.001 57.877 54.840 0.060 0.000 0.755 185 L CB -0.174 41.927 42.059 0.070 0.000 0.904 185 L HN -0.474 7.672 8.230 0.037 0.106 0.435 186 V N -0.773 119.164 119.914 0.037 0.000 2.255 186 V HA -0.675 3.472 4.120 0.046 0.000 0.247 186 V C 1.542 177.643 176.094 0.012 0.000 1.051 186 V CA 5.417 67.736 62.300 0.031 0.000 1.018 186 V CB -0.384 31.452 31.823 0.021 0.000 0.641 186 V HN 0.204 8.304 8.190 0.033 0.110 0.445 187 K N -2.079 118.316 120.400 -0.008 0.000 2.147 187 K HA -0.350 3.948 4.320 -0.038 0.000 0.205 187 K C 1.681 178.231 176.600 -0.083 0.000 1.049 187 K CA 3.218 59.480 56.287 -0.041 0.000 0.936 187 K CB -0.743 31.730 32.500 -0.045 0.000 0.722 187 K HN -0.554 7.695 8.250 -0.003 0.000 0.446 188 K N 0.472 120.833 120.400 -0.065 0.000 2.097 188 K HA -0.250 3.891 4.320 -0.298 0.000 0.206 188 K C 2.059 178.610 176.600 -0.082 0.000 1.049 188 K CA 3.012 59.221 56.287 -0.131 0.000 0.933 188 K CB -0.359 32.158 32.500 0.028 0.000 0.717 188 K HN -0.503 7.604 8.250 -0.019 0.132 0.442 189 V N 1.306 121.238 119.914 0.031 0.000 2.427 189 V HA -0.508 3.649 4.120 0.062 0.000 0.248 189 V C 2.368 178.448 176.094 -0.024 0.000 1.051 189 V CA 4.053 66.382 62.300 0.049 0.000 1.048 189 V CB -0.308 31.575 31.823 0.099 0.000 0.666 189 V HN 0.173 8.262 8.190 0.038 0.124 0.456 190 Q N -0.411 119.365 119.800 -0.039 0.000 2.050 190 Q HA -0.293 4.039 4.340 -0.013 0.000 0.202 190 Q C 2.946 178.895 176.000 -0.086 0.000 0.980 190 Q CA 3.098 58.874 55.803 -0.044 0.000 0.840 190 Q CB -0.459 28.255 28.738 -0.041 0.000 0.898 190 Q HN -0.129 8.023 8.270 -0.034 0.098 0.424 191 V N 0.162 119.978 119.914 -0.164 0.000 2.379 191 V HA -0.426 3.606 4.120 -0.147 0.000 0.245 191 V C 1.999 177.940 176.094 -0.254 0.000 1.044 191 V CA 4.528 66.694 62.300 -0.223 0.000 1.036 191 V CB -0.343 31.285 31.823 -0.324 0.000 0.664 191 V HN 0.051 8.134 8.190 -0.178 0.000 0.453 192 F N -0.314 119.403 119.950 -0.389 0.000 2.134 192 F HA -0.272 3.937 4.527 -0.531 0.000 0.299 192 F C 2.275 177.775 175.800 -0.500 0.000 1.097 192 F CA 3.406 60.958 58.000 -0.747 0.000 1.264 192 F CB -0.716 37.231 39.000 -1.755 0.000 1.001 192 F HN 0.095 8.065 8.300 -0.366 0.110 0.479 193 L N -1.431 119.742 121.223 -0.084 0.000 2.044 193 L HA -0.459 4.043 4.340 0.271 0.000 0.205 193 L C 1.969 178.888 176.870 0.081 0.000 1.075 193 L CA 3.763 58.669 54.840 0.110 0.000 0.747 193 L CB -0.373 41.752 42.059 0.110 0.000 0.903 193 L HN 0.178 8.339 8.230 -0.115 0.000 0.435 194 A N -1.278 121.556 122.820 0.023 0.000 1.873 194 A HA -0.316 4.024 4.320 0.033 0.000 0.215 194 A C 2.000 179.601 177.584 0.028 0.000 1.186 194 A CA 3.310 55.358 52.037 0.019 0.000 0.616 194 A CB -1.014 17.980 19.000 -0.009 0.000 0.823 194 A HN -0.265 7.878 8.150 -0.012 0.000 0.442 195 E N -0.822 119.384 120.200 0.010 0.000 2.085 195 E HA -0.268 4.095 4.350 0.021 0.000 0.194 195 E C 1.933 178.580 176.600 0.078 0.000 0.994 195 E CA 3.346 59.762 56.400 0.028 0.000 0.801 195 E CB -0.085 29.614 29.700 -0.003 0.000 0.743 195 E HN 0.539 8.757 8.360 -0.027 0.126 0.453 196 C N -1.651 117.722 119.300 0.120 0.000 2.440 196 C HA -0.250 4.294 4.460 0.141 0.000 0.278 196 C C 1.668 176.723 174.990 0.108 0.000 1.295 196 C CA 3.117 62.225 59.018 0.150 0.000 1.738 196 C CB -0.274 27.616 27.740 0.251 0.000 1.987 196 C HN -0.467 7.827 8.230 0.119 0.007 0.492 197 D N 0.461 120.918 120.400 0.094 0.000 2.144 197 D HA -0.190 4.492 4.640 0.071 0.000 0.200 197 D C 1.859 178.201 176.300 0.071 0.000 0.978 197 D CA 3.892 57.936 54.000 0.073 0.000 0.833 197 D CB 0.157 40.993 40.800 0.060 0.000 0.961 197 D HN -0.113 8.218 8.370 0.095 0.096 0.470 198 T N 3.235 117.834 114.554 0.075 0.000 2.746 198 T HA -0.320 4.079 4.350 0.083 0.000 0.267 198 T C 1.980 176.764 174.700 0.139 0.000 1.039 198 T CA 5.513 67.671 62.100 0.096 0.000 1.142 198 T CB -0.141 68.782 68.868 0.091 0.000 0.866 198 T HN 0.189 8.470 8.240 0.068 0.000 0.444 199 V N 1.280 121.259 119.914 0.109 0.000 2.295 199 V HA -0.595 3.588 4.120 0.105 0.000 0.246 199 V C 1.300 177.457 176.094 0.104 0.000 1.049 199 V CA 4.807 67.166 62.300 0.098 0.000 1.024 199 V CB -0.228 31.632 31.823 0.061 0.000 0.648 199 V HN -0.613 7.632 8.190 0.091 0.000 0.447 200 E N -0.391 119.858 120.200 0.082 0.000 2.106 200 E HA -0.395 3.989 4.350 0.057 0.000 0.192 200 E C 2.293 178.937 176.600 0.074 0.000 0.984 200 E CA 2.968 59.407 56.400 0.065 0.000 0.806 200 E CB -0.992 28.737 29.700 0.048 0.000 0.750 200 E HN -0.328 8.079 8.360 0.079 0.000 0.458 201 Q N -0.219 119.628 119.800 0.078 0.000 2.119 201 Q HA -0.282 4.078 4.340 0.034 0.000 0.201 201 Q C 2.529 178.570 176.000 0.067 0.000 0.972 201 Q CA 3.133 58.967 55.803 0.053 0.000 0.847 201 Q CB 0.178 28.935 28.738 0.031 0.000 0.903 201 Q HN 0.579 8.701 8.270 0.082 0.198 0.433 202 Y N 1.318 121.624 120.300 0.010 0.000 2.163 202 Y HA -0.301 4.253 4.550 0.007 0.000 0.288 202 Y C 1.912 177.817 175.900 0.008 0.000 1.136 202 Y CA 3.701 61.806 58.100 0.008 0.000 1.147 202 Y CB -0.019 38.447 38.460 0.009 0.000 0.987 202 Y HN 0.375 8.601 8.280 0.228 0.192 0.509 203 I N -1.327 119.387 120.570 0.240 0.000 2.286 203 I HA -0.575 3.689 4.170 0.157 0.000 0.248 203 I C 1.802 177.977 176.117 0.096 0.000 1.115 203 I CA 4.713 66.098 61.300 0.141 0.000 1.392 203 I CB -0.118 37.929 38.000 0.079 0.000 1.065 203 I HN 0.073 8.412 8.210 0.213 0.000 0.418 204 C N 0.571 119.915 119.300 0.074 0.000 2.453 204 C HA -0.388 4.199 4.460 0.036 -0.105 0.277 204 C C 2.099 177.104 174.990 0.025 0.000 1.262 204 C CA 3.637 62.679 59.018 0.040 0.000 1.718 204 C CB 0.301 28.058 27.740 0.028 0.000 2.031 204 C HN 0.204 8.297 8.230 0.085 0.188 0.480 205 Q N -0.793 119.011 119.800 0.008 0.000 2.124 205 Q HA -0.314 4.007 4.340 -0.032 0.000 0.202 205 Q C 3.023 179.014 176.000 -0.015 0.000 0.977 205 Q CA 2.603 58.384 55.803 -0.036 0.000 0.850 205 Q CB -0.715 27.947 28.738 -0.127 0.000 0.901 205 Q HN 0.653 8.800 8.270 0.017 0.134 0.429 206 E N -0.565 119.658 120.200 0.037 0.000 2.047 206 E HA -0.243 4.133 4.350 0.044 0.000 0.191 206 E C 2.552 179.178 176.600 0.044 0.000 0.987 206 E CA 3.131 59.571 56.400 0.065 0.000 0.799 206 E CB -0.165 29.620 29.700 0.143 0.000 0.752 206 E HN 0.074 8.464 8.360 0.075 0.015 0.449 207 T N 2.114 116.694 114.554 0.044 0.000 2.857 207 T HA -0.328 4.042 4.350 0.032 0.000 0.266 207 T C 1.643 176.355 174.700 0.019 0.000 1.048 207 T CA 5.122 67.241 62.100 0.031 0.000 1.139 207 T CB -0.104 68.782 68.868 0.031 0.000 0.874 207 T HN -0.345 7.927 8.240 0.054 0.000 0.455 208 E N 1.702 121.910 120.200 0.014 0.000 2.058 208 E HA -0.367 3.987 4.350 0.006 0.000 0.194 208 E C 2.319 178.920 176.600 0.002 0.000 0.997 208 E CA 3.019 59.422 56.400 0.005 0.000 0.801 208 E CB -0.109 29.590 29.700 -0.003 0.000 0.746 208 E HN 0.444 8.623 8.360 0.016 0.191 0.450 209 R N -2.362 118.138 120.500 -0.000 0.000 2.096 209 R HA -0.279 4.058 4.340 -0.006 0.000 0.235 209 R C 1.653 177.956 176.300 0.005 0.000 1.127 209 R CA 2.434 58.533 56.100 -0.002 0.000 0.968 209 R CB -0.062 30.235 30.300 -0.005 0.000 0.861 209 R HN -0.213 8.056 8.270 -0.001 0.000 0.440 210 L N -3.807 117.423 121.223 0.011 0.000 2.131 210 L HA -0.190 4.157 4.340 0.013 0.000 0.210 210 L C -0.063 176.813 176.870 0.010 0.000 1.092 210 L CA 1.997 56.844 54.840 0.013 0.000 0.759 210 L CB 0.520 42.590 42.059 0.018 0.000 0.903 210 L HN -0.732 7.406 8.230 0.014 0.100 0.435 211 Q N -3.389 116.416 119.800 0.009 0.000 2.327 211 Q HA 0.175 4.519 4.340 0.007 0.000 0.270 211 Q C -1.030 174.972 176.000 0.004 0.000 1.022 211 Q CA -0.777 55.030 55.803 0.007 0.000 0.773 211 Q CB 1.359 30.102 28.738 0.008 0.000 1.251 211 Q HN -0.857 7.291 8.270 0.009 0.127 0.457 212 S N 3.744 119.446 115.700 0.003 0.000 3.039 212 S HA 0.065 4.535 4.470 0.000 0.000 0.251 212 S C -0.017 174.584 174.600 0.001 0.000 1.064 212 S CA 0.409 58.610 58.200 0.001 0.000 0.822 212 S CB 1.283 64.483 63.200 0.000 0.000 0.802 212 S HN 0.573 8.885 8.310 0.004 0.000 0.519 213 T N 0.989 115.544 114.554 0.002 0.000 0.541 213 T HA -0.296 4.055 4.350 0.002 0.000 0.774 213 T C -0.659 174.042 174.700 0.001 0.000 0.992 213 T CA 0.667 62.768 62.100 0.002 0.000 4.077 213 T CB -0.324 68.546 68.868 0.002 0.000 2.303 213 T HN -0.437 7.804 8.240 0.002 0.000 0.398 214 N N -0.339 118.362 118.700 0.001 0.000 2.643 214 N HA 0.768 5.508 4.740 0.000 0.000 0.305 214 N C -1.293 174.217 175.510 0.001 0.000 1.283 214 N CA -0.699 52.352 53.050 0.001 0.000 0.946 214 N CB 1.137 39.624 38.487 0.001 0.000 1.149 214 N HN 0.597 8.978 8.380 0.001 0.000 0.600 215 L N -3.690 117.533 121.223 0.000 0.000 2.502 215 L HA 0.364 4.704 4.340 0.001 0.000 0.253 215 L C -2.005 174.865 176.870 0.000 0.000 1.070 215 L CA -0.533 54.307 54.840 0.000 0.000 0.871 215 L CB 1.844 43.903 42.059 -0.000 0.000 1.487 215 L HN -0.169 8.061 8.230 0.000 0.000 0.408 216 A N 0.498 123.318 122.820 0.000 0.000 2.466 216 A HA 0.480 4.800 4.320 0.000 0.000 0.284 216 A C -1.216 176.368 177.584 0.000 0.000 1.049 216 A CA -0.029 52.008 52.037 0.000 0.000 0.760 216 A CB 0.659 19.659 19.000 0.000 0.000 1.274 216 A HN 0.127 8.277 8.150 0.000 0.000 0.412 217 L N -1.014 120.209 121.223 -0.000 0.000 2.287 217 L HA 0.548 4.888 4.340 0.000 0.000 0.287 217 L C -0.535 176.335 176.870 -0.000 0.000 1.022 217 L CA -0.033 54.807 54.840 -0.000 0.000 0.814 217 L CB -0.011 42.048 42.059 -0.000 0.000 1.217 217 L HN 0.175 8.404 8.230 -0.000 0.000 0.420 218 A N 4.999 127.819 122.820 0.000 0.000 1.633 218 A HA 0.104 4.424 4.320 0.000 0.000 0.212 218 A C -0.199 177.385 177.584 0.000 0.000 1.823 218 A CA 0.388 52.425 52.037 0.000 0.000 1.343 218 A CB 0.702 19.702 19.000 0.000 0.000 1.309 218 A HN 0.670 8.820 8.150 0.000 0.000 0.404 219 E N 0.000 120.200 120.200 0.000 0.000 2.725 219 E HA 0.000 4.350 4.350 0.000 0.000 0.291 219 E CA 0.000 56.400 56.400 0.000 0.000 0.976 219 E CB 0.000 29.700 29.700 0.000 0.000 0.812 219 E HN 0.000 8.360 8.360 0.000 0.000 0.440