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 3iec_1_A DATA FIRST_RESID 49 DATA SEQUENCE HIGNYRLLKT IGXXXXAKVK LARHILTGKE VAVKIIDKTQ LNSSSLQKLF DATA SEQUENCE REVRIMKVLN HPNIVKLFEV IETEKTLYLV MEYASGGEVF DYLVAHGWMK DATA SEQUENCE EKEARAKFRQ IVSAVQYCHQ KFIVHRDLKA ENLLLDADMN IKIADFGFSN DATA SEQUENCE EFTFGNKLDT FCGSPPYAAP ELFQGKKYDG PEVDVWSLGV ILYTLVSGSL DATA SEQUENCE PFDGQNLKEL RERVLRGKYR IPFYMSTDCE NLLKKFLILN PSKRGTLEQI DATA SEQUENCE MKDRWMNVGH EDDELKPYVE PLPDYKDPRR TELMVSMGYT REEIQDSLVG DATA SEQUENCE QRYNEVMATY LLLGY 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 49 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 49 H C 0.000 175.315 175.328 -0.022 0.000 0.993 49 H CA 0.000 56.051 56.048 0.005 0.000 1.023 49 H CB 0.000 29.757 29.762 -0.008 0.000 1.292 50 I N 4.932 125.557 120.570 0.093 0.000 2.610 50 I HA 0.558 4.727 4.170 -0.001 0.000 0.289 50 I C 0.787 176.955 176.117 0.085 0.000 1.163 50 I CA 1.209 62.510 61.300 0.001 0.000 1.044 50 I CB 1.319 39.094 38.000 -0.375 0.000 1.251 50 I HN 0.958 9.168 8.210 -0.000 0.000 0.424 51 G N 6.653 115.501 108.800 0.081 0.000 2.672 51 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.324 51 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.324 51 G C 0.553 175.482 174.900 0.048 0.000 1.286 51 G CA 0.782 45.940 45.100 0.096 0.000 1.004 51 G HN 0.718 9.008 8.290 -0.000 0.000 0.548 52 N N 0.980 119.599 118.700 -0.135 0.000 2.362 52 N HA 0.209 4.949 4.740 -0.001 0.000 0.211 52 N C -0.553 174.446 175.510 -0.852 0.000 1.170 52 N CA 0.498 53.257 53.050 -0.484 0.000 0.828 52 N CB -0.042 38.081 38.487 -0.607 0.000 1.034 52 N HN 0.463 8.843 8.380 -0.000 0.000 0.475 53 Y N 0.091 120.255 120.300 -0.226 0.000 2.364 53 Y HA 0.400 4.950 4.550 -0.001 0.000 0.340 53 Y C 0.629 176.233 175.900 -0.494 0.000 0.975 53 Y CA -0.977 56.974 58.100 -0.250 0.000 1.089 53 Y CB 1.451 39.842 38.460 -0.115 0.000 1.192 53 Y HN -0.342 7.938 8.280 -0.000 0.000 0.454 54 R N 3.954 124.282 120.500 -0.286 0.000 2.202 54 R HA 0.382 4.722 4.340 -0.001 0.000 0.334 54 R C -1.005 175.244 176.300 -0.085 0.000 1.036 54 R CA -0.560 55.374 56.100 -0.277 0.000 0.878 54 R CB 0.809 31.006 30.300 -0.171 0.000 1.067 54 R HN 0.671 8.941 8.270 -0.000 0.000 0.457 55 L N 4.979 126.171 121.223 -0.053 0.000 2.349 55 L HA 0.307 4.647 4.340 -0.001 0.000 0.275 55 L C 0.680 177.548 176.870 -0.003 0.000 1.115 55 L CA -0.056 54.782 54.840 -0.004 0.000 0.820 55 L CB 0.486 42.561 42.059 0.026 0.000 1.135 55 L HN 0.411 8.641 8.230 -0.000 0.000 0.445 56 L N 2.037 123.254 121.223 -0.011 0.000 2.818 56 L HA 0.446 4.785 4.340 -0.001 0.000 0.230 56 L C 0.017 176.879 176.870 -0.012 0.000 2.013 56 L CA -1.077 53.755 54.840 -0.013 0.000 2.420 56 L CB 0.532 42.575 42.059 -0.027 0.000 2.612 56 L HN 0.505 8.735 8.230 -0.000 0.000 0.595 57 K N -0.031 120.358 120.400 -0.019 0.000 2.355 57 K HA 0.216 4.535 4.320 -0.001 0.000 0.270 57 K C -0.624 175.968 176.600 -0.014 0.000 1.003 57 K CA -0.370 55.911 56.287 -0.010 0.000 0.957 57 K CB 0.259 32.756 32.500 -0.005 0.000 0.939 57 K HN 0.237 8.487 8.250 -0.000 0.000 0.482 58 T N 2.420 116.974 114.554 -0.001 0.000 2.916 58 T HA 0.125 4.474 4.350 -0.001 0.000 0.303 58 T C 0.933 175.637 174.700 0.007 0.000 1.025 58 T CA -0.303 61.799 62.100 0.002 0.000 1.142 58 T CB 0.039 68.911 68.868 0.007 0.000 0.947 58 T HN 0.757 8.997 8.240 -0.000 0.000 0.544 59 I N -0.660 119.917 120.570 0.012 0.000 4.102 59 I HA 0.616 4.785 4.170 -0.001 0.000 0.325 59 I C 0.500 176.643 176.117 0.044 0.000 1.471 59 I CA -0.508 60.815 61.300 0.039 0.000 1.133 59 I CB 0.231 38.267 38.000 0.061 0.000 1.184 59 I HN 0.722 8.932 8.210 -0.000 0.000 0.451 66 K N 0.895 121.267 120.400 -0.047 0.000 2.270 66 K HA 0.517 4.837 4.320 -0.001 0.000 0.276 66 K C -0.343 176.243 176.600 -0.023 0.000 1.023 66 K CA -0.235 56.035 56.287 -0.028 0.000 0.955 66 K CB 1.344 33.833 32.500 -0.019 0.000 0.975 66 K HN 0.412 8.662 8.250 -0.000 0.000 0.471 67 V N 3.443 123.351 119.914 -0.009 0.000 2.398 67 V HA 0.293 4.412 4.120 -0.001 0.000 0.286 67 V C -0.304 175.790 176.094 0.000 0.000 1.026 67 V CA -0.812 61.487 62.300 -0.000 0.000 0.868 67 V CB 1.196 33.028 31.823 0.014 0.000 0.982 67 V HN 0.643 8.833 8.190 -0.000 0.000 0.443 68 K N 3.655 124.052 120.400 -0.005 0.000 2.292 68 K HA 0.551 4.870 4.320 -0.001 0.000 0.257 68 K C -0.894 175.671 176.600 -0.059 0.000 0.940 68 K CA -0.998 55.278 56.287 -0.019 0.000 0.811 68 K CB 2.353 34.855 32.500 0.004 0.000 1.120 68 K HN 0.466 8.716 8.250 -0.000 0.000 0.428 69 L N 2.680 123.834 121.223 -0.114 0.000 2.525 69 L HA 0.205 4.544 4.340 -0.001 0.000 0.278 69 L C -0.530 176.275 176.870 -0.107 0.000 1.218 69 L CA 1.005 55.721 54.840 -0.208 0.000 0.878 69 L CB 0.423 42.308 42.059 -0.290 0.000 1.127 69 L HN 0.837 9.067 8.230 -0.000 0.000 0.492 70 A N 5.357 128.129 122.820 -0.081 0.000 2.566 70 A HA 0.819 5.138 4.320 -0.001 0.000 0.292 70 A C -1.030 176.584 177.584 0.050 0.000 1.112 70 A CA -0.832 51.207 52.037 0.003 0.000 0.707 70 A CB 1.220 20.247 19.000 0.046 0.000 1.302 70 A HN 0.692 8.842 8.150 -0.000 0.000 0.409 71 R N 0.701 121.242 120.500 0.068 0.000 2.494 71 R HA 0.379 4.718 4.340 -0.001 0.000 0.305 71 R C -0.766 175.589 176.300 0.092 0.000 0.959 71 R CA -0.481 55.667 56.100 0.080 0.000 0.864 71 R CB 0.834 31.146 30.300 0.021 0.000 1.159 71 R HN 0.929 9.199 8.270 -0.000 0.000 0.446 72 H N 5.893 124.970 119.070 0.012 0.000 2.899 72 H HA 0.066 4.622 4.556 -0.001 0.000 0.303 72 H C 0.879 176.103 175.328 -0.173 0.000 1.042 72 H CA 0.425 56.357 56.048 -0.194 0.000 1.479 72 H CB 0.863 30.532 29.762 -0.155 0.000 1.493 72 H HN 0.704 8.984 8.280 -0.000 0.000 0.534 73 I N 4.783 125.018 120.570 -0.559 0.000 2.315 73 I HA -0.288 3.881 4.170 -0.001 0.000 0.248 73 I C 2.231 178.188 176.117 -0.266 0.000 1.117 73 I CA 0.789 61.888 61.300 -0.335 0.000 1.404 73 I CB 0.074 37.890 38.000 -0.307 0.000 1.071 73 I HN 0.607 8.817 8.210 -0.000 0.000 0.419 74 L N 0.002 120.976 121.223 -0.416 0.000 2.179 74 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 74 L C 2.445 179.345 176.870 0.049 0.000 1.096 74 L CA 1.687 56.454 54.840 -0.122 0.000 0.779 74 L CB -0.574 41.467 42.059 -0.031 0.000 0.922 74 L HN 0.399 8.629 8.230 -0.000 0.000 0.443 75 T N -5.116 109.559 114.554 0.202 0.000 3.001 75 T HA 0.240 4.590 4.350 -0.001 0.000 0.251 75 T C 1.494 176.247 174.700 0.088 0.000 1.040 75 T CA 0.419 62.613 62.100 0.157 0.000 0.985 75 T CB 0.732 69.688 68.868 0.146 0.000 1.011 75 T HN 0.356 8.596 8.240 -0.000 0.000 0.509 76 G N 2.133 110.976 108.800 0.072 0.000 2.166 76 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.260 76 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.260 76 G C 0.053 174.994 174.900 0.068 0.000 0.986 76 G CA 0.211 45.339 45.100 0.046 0.000 0.683 76 G HN 0.574 8.864 8.290 -0.000 0.000 0.527 77 K N 0.729 121.188 120.400 0.098 0.000 2.218 77 K HA 0.373 4.692 4.320 -0.001 0.000 0.276 77 K C 0.441 177.120 176.600 0.132 0.000 1.022 77 K CA -0.449 55.902 56.287 0.106 0.000 0.946 77 K CB 1.264 33.816 32.500 0.086 0.000 1.000 77 K HN 0.532 8.782 8.250 -0.000 0.000 0.468 78 E N 1.523 121.819 120.200 0.160 0.000 2.313 78 E HA 0.266 4.615 4.350 -0.001 0.000 0.276 78 E C -0.590 176.127 176.600 0.196 0.000 1.031 78 E CA -0.608 55.883 56.400 0.152 0.000 0.857 78 E CB 0.850 30.654 29.700 0.173 0.000 1.040 78 E HN 0.368 8.728 8.360 -0.000 0.000 0.408 79 V N -0.103 119.881 119.914 0.117 0.000 3.181 79 V HA 0.888 5.007 4.120 -0.001 0.000 0.308 79 V C -1.109 175.007 176.094 0.036 0.000 1.214 79 V CA -0.976 61.409 62.300 0.142 0.000 1.053 79 V CB 1.561 33.454 31.823 0.117 0.000 1.069 79 V HN 0.698 8.888 8.190 -0.000 0.000 0.441 80 A N 1.242 124.119 122.820 0.096 0.000 2.287 80 A HA 0.842 5.161 4.320 -0.001 0.000 0.317 80 A C -0.669 176.923 177.584 0.014 0.000 1.220 80 A CA -0.641 51.418 52.037 0.036 0.000 0.835 80 A CB 1.236 20.325 19.000 0.148 0.000 1.180 80 A HN 1.383 9.533 8.150 -0.000 0.000 0.500 81 V N 3.272 123.172 119.914 -0.023 0.000 2.370 81 V HA 0.304 4.424 4.120 -0.001 0.000 0.283 81 V C 0.302 176.399 176.094 0.004 0.000 1.023 81 V CA -0.620 61.663 62.300 -0.028 0.000 0.857 81 V CB 1.345 33.137 31.823 -0.051 0.000 0.985 81 V HN 0.899 9.089 8.190 -0.000 0.000 0.443 82 K N 5.267 125.666 120.400 -0.002 0.000 2.258 82 K HA 0.545 4.864 4.320 -0.001 0.000 0.284 82 K C -0.842 175.722 176.600 -0.060 0.000 1.051 82 K CA -0.352 55.919 56.287 -0.026 0.000 0.923 82 K CB 0.621 33.099 32.500 -0.037 0.000 1.046 82 K HN 0.623 8.873 8.250 -0.000 0.000 0.474 83 I N 6.778 127.287 120.570 -0.102 0.000 2.355 83 I HA 0.305 4.474 4.170 -0.001 0.000 0.288 83 I C -0.397 175.576 176.117 -0.241 0.000 0.999 83 I CA -0.702 60.448 61.300 -0.251 0.000 1.163 83 I CB 1.157 39.054 38.000 -0.171 0.000 1.316 83 I HN 0.460 8.670 8.210 -0.000 0.000 0.454 84 I N 5.043 125.428 120.570 -0.307 0.000 2.410 84 I HA 0.201 4.371 4.170 -0.001 0.000 0.286 84 I C -0.289 175.699 176.117 -0.216 0.000 1.009 84 I CA -0.590 60.582 61.300 -0.214 0.000 1.111 84 I CB 1.780 39.668 38.000 -0.187 0.000 1.262 84 I HN 0.471 8.681 8.210 -0.000 0.000 0.443 85 D N 6.692 126.999 120.400 -0.154 0.000 2.346 85 D HA 0.061 4.701 4.640 -0.001 0.000 0.260 85 D C 0.879 177.117 176.300 -0.102 0.000 1.252 85 D CA 0.376 54.305 54.000 -0.120 0.000 0.895 85 D CB 1.125 41.876 40.800 -0.081 0.000 1.097 85 D HN 0.465 8.835 8.370 -0.000 0.000 0.489 86 K N 1.429 121.770 120.400 -0.098 0.000 2.076 86 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 86 K C 2.095 178.668 176.600 -0.045 0.000 1.051 86 K CA 1.249 57.488 56.287 -0.080 0.000 0.949 86 K CB -0.204 32.250 32.500 -0.077 0.000 0.726 86 K HN 0.570 8.820 8.250 -0.000 0.000 0.443 87 T N 0.827 115.361 114.554 -0.034 0.000 2.624 87 T HA -0.254 4.095 4.350 -0.001 0.000 0.266 87 T C 1.615 176.305 174.700 -0.016 0.000 1.050 87 T CA 1.358 63.447 62.100 -0.017 0.000 1.163 87 T CB -0.336 68.524 68.868 -0.014 0.000 0.861 87 T HN 0.089 8.329 8.240 -0.000 0.000 0.443 88 Q N 1.241 121.027 119.800 -0.023 0.000 2.253 88 Q HA 0.427 4.767 4.340 -0.001 0.000 0.210 88 Q C 0.242 176.230 176.000 -0.020 0.000 0.907 88 Q CA -0.009 55.782 55.803 -0.019 0.000 0.948 88 Q CB -0.169 28.557 28.738 -0.020 0.000 1.033 88 Q HN 0.622 8.892 8.270 -0.000 0.000 0.471 89 L N 1.921 123.131 121.223 -0.022 0.000 2.360 89 L HA 0.230 4.570 4.340 -0.001 0.000 0.271 89 L C 0.537 177.405 176.870 -0.003 0.000 1.057 89 L CA -0.801 54.028 54.840 -0.018 0.000 0.803 89 L CB 0.850 42.890 42.059 -0.032 0.000 1.207 89 L HN 0.137 8.367 8.230 -0.000 0.000 0.445 90 N N -0.688 118.014 118.700 0.002 0.000 2.478 90 N HA 0.176 4.915 4.740 -0.001 0.000 0.275 90 N C 0.570 176.092 175.510 0.020 0.000 1.221 90 N CA -0.411 52.645 53.050 0.010 0.000 0.979 90 N CB 0.682 39.175 38.487 0.009 0.000 1.202 90 N HN 0.531 8.911 8.380 -0.000 0.000 0.564 91 S N -0.504 115.210 115.700 0.024 0.000 2.359 91 S HA -0.253 4.217 4.470 -0.001 0.000 0.224 91 S C 1.850 176.474 174.600 0.040 0.000 1.035 91 S CA 1.387 59.608 58.200 0.035 0.000 1.018 91 S CB -1.025 62.191 63.200 0.027 0.000 0.876 91 S HN 0.706 9.016 8.310 -0.000 0.000 0.448 92 S N 1.685 117.401 115.700 0.027 0.000 2.359 92 S HA -0.170 4.300 4.470 -0.001 0.000 0.223 92 S C 2.113 176.732 174.600 0.032 0.000 1.039 92 S CA 1.799 60.015 58.200 0.026 0.000 1.042 92 S CB -0.878 62.332 63.200 0.016 0.000 0.915 92 S HN 0.544 8.854 8.310 -0.000 0.000 0.439 93 S N 1.330 117.045 115.700 0.025 0.000 2.359 93 S HA -0.019 4.451 4.470 -0.001 0.000 0.224 93 S C 1.787 176.395 174.600 0.013 0.000 1.035 93 S CA 1.302 59.512 58.200 0.016 0.000 1.018 93 S CB -0.637 62.564 63.200 0.002 0.000 0.876 93 S HN 0.507 8.817 8.310 -0.000 0.000 0.448 94 L N 1.253 122.492 121.223 0.025 0.000 2.012 94 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 94 L C 2.744 179.701 176.870 0.145 0.000 1.073 94 L CA 1.883 56.748 54.840 0.041 0.000 0.748 94 L CB -0.584 41.534 42.059 0.099 0.000 0.891 94 L HN 0.439 8.669 8.230 -0.000 0.000 0.431 95 Q N 0.034 119.929 119.800 0.159 0.000 2.061 95 Q HA -0.271 4.068 4.340 -0.001 0.000 0.204 95 Q C 2.105 178.191 176.000 0.144 0.000 0.984 95 Q CA 2.028 57.938 55.803 0.178 0.000 0.846 95 Q CB 0.061 28.852 28.738 0.090 0.000 0.902 95 Q HN 0.424 8.694 8.270 -0.000 0.000 0.421 96 K N -0.177 120.271 120.400 0.080 0.000 2.211 96 K HA -0.131 4.189 4.320 -0.001 0.000 0.203 96 K C 1.988 178.612 176.600 0.041 0.000 1.050 96 K CA 0.762 57.086 56.287 0.061 0.000 0.945 96 K CB -0.060 32.472 32.500 0.054 0.000 0.732 96 K HN 0.188 8.438 8.250 -0.000 0.000 0.451 97 L N 0.325 121.546 121.223 -0.003 0.000 2.072 97 L HA -0.025 4.314 4.340 -0.001 0.000 0.205 97 L C 1.780 178.588 176.870 -0.104 0.000 1.079 97 L CA 1.523 56.305 54.840 -0.097 0.000 0.752 97 L CB -0.443 41.493 42.059 -0.205 0.000 0.906 97 L HN 0.022 8.252 8.230 -0.000 0.000 0.436 98 F N -0.109 119.828 119.950 -0.021 0.000 2.126 98 F HA -0.214 4.312 4.527 -0.001 0.000 0.299 98 F C 2.801 178.582 175.800 -0.031 0.000 1.096 98 F CA 1.684 59.668 58.000 -0.027 0.000 1.255 98 F CB -0.350 38.637 39.000 -0.021 0.000 0.997 98 F HN 0.079 8.379 8.300 -0.000 0.000 0.479 99 R N 0.885 121.483 120.500 0.164 0.000 2.073 99 R HA -0.229 4.110 4.340 -0.001 0.000 0.234 99 R C 2.205 178.531 176.300 0.044 0.000 1.134 99 R CA 2.036 58.186 56.100 0.083 0.000 0.952 99 R CB -0.544 29.797 30.300 0.068 0.000 0.850 99 R HN 0.373 8.643 8.270 -0.000 0.000 0.433 100 E N -0.147 120.071 120.200 0.031 0.000 2.085 100 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 100 E C 1.895 178.470 176.600 -0.042 0.000 0.994 100 E CA 1.654 58.060 56.400 0.010 0.000 0.801 100 E CB 0.091 29.793 29.700 0.003 0.000 0.743 100 E HN 0.229 8.589 8.360 -0.000 0.000 0.453 101 V N 1.210 121.092 119.914 -0.053 0.000 2.358 101 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 101 V C 2.627 178.652 176.094 -0.116 0.000 1.047 101 V CA 2.140 64.380 62.300 -0.100 0.000 1.035 101 V CB -0.674 31.098 31.823 -0.085 0.000 0.658 101 V HN 0.316 8.506 8.190 -0.000 0.000 0.452 102 R N 0.106 120.580 120.500 -0.043 0.000 2.091 102 R HA -0.157 4.183 4.340 -0.001 0.000 0.238 102 R C 2.252 178.504 176.300 -0.080 0.000 1.136 102 R CA 1.912 57.985 56.100 -0.045 0.000 0.959 102 R CB -0.330 29.972 30.300 0.004 0.000 0.856 102 R HN 0.467 8.737 8.270 -0.000 0.000 0.437 103 I N 0.535 121.059 120.570 -0.077 0.000 2.179 103 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 103 I C 2.482 178.465 176.117 -0.223 0.000 1.088 103 I CA 1.446 62.682 61.300 -0.106 0.000 1.357 103 I CB -0.181 37.792 38.000 -0.044 0.000 1.051 103 I HN 0.293 8.503 8.210 -0.000 0.000 0.409 104 M N 0.144 119.577 119.600 -0.278 0.000 2.149 104 M HA -0.227 4.253 4.480 -0.001 0.000 0.261 104 M C 2.179 178.301 176.300 -0.297 0.000 1.064 104 M CA 1.788 56.868 55.300 -0.366 0.000 1.102 104 M CB -0.358 32.055 32.600 -0.310 0.000 1.369 104 M HN 0.103 8.393 8.290 -0.000 0.000 0.408 105 K N -0.320 119.898 120.400 -0.304 0.000 2.148 105 K HA -0.074 4.246 4.320 -0.001 0.000 0.204 105 K C 1.827 178.420 176.600 -0.012 0.000 1.050 105 K CA 0.969 57.067 56.287 -0.316 0.000 0.942 105 K CB -0.115 32.151 32.500 -0.390 0.000 0.724 105 K HN 0.164 8.414 8.250 -0.000 0.000 0.446 106 V N 1.726 121.617 119.914 -0.037 0.000 2.667 106 V HA -0.098 4.021 4.120 -0.001 0.000 0.252 106 V C 1.020 177.155 176.094 0.069 0.000 1.065 106 V CA 0.950 63.266 62.300 0.027 0.000 1.083 106 V CB -0.248 31.567 31.823 -0.012 0.000 0.692 106 V HN 0.201 8.391 8.190 -0.000 0.000 0.468 107 L N 1.646 122.879 121.223 0.017 0.000 2.281 107 L HA 0.379 4.718 4.340 -0.001 0.000 0.285 107 L C -0.057 176.930 176.870 0.195 0.000 1.074 107 L CA 0.007 54.928 54.840 0.136 0.000 0.817 107 L CB 0.488 42.515 42.059 -0.053 0.000 1.168 107 L HN 0.162 8.392 8.230 -0.000 0.000 0.434 108 N N 2.915 121.821 118.700 0.343 0.000 2.648 108 N HA 0.246 4.986 4.740 -0.001 0.000 0.261 108 N C -1.375 174.116 175.510 -0.032 0.000 1.138 108 N CA -0.359 52.785 53.050 0.155 0.000 0.804 108 N CB 0.524 39.116 38.487 0.176 0.000 1.237 108 N HN 0.523 8.903 8.380 -0.000 0.000 0.532 109 H N 3.244 122.162 119.070 -0.253 0.000 2.865 109 H HA 0.383 4.938 4.556 -0.001 0.000 0.362 109 H C -2.242 172.882 175.328 -0.339 0.000 1.114 109 H CA -1.505 54.184 56.048 -0.599 0.000 1.208 109 H CB 2.673 31.993 29.762 -0.737 0.000 1.727 109 H HN 0.277 8.557 8.280 -0.000 0.000 0.534 110 P HA -0.053 4.367 4.420 -0.000 0.000 0.225 110 P C -0.165 177.144 177.300 0.015 0.000 1.148 110 P CA 0.958 63.960 63.100 -0.164 0.000 0.779 110 P CB 0.377 31.940 31.700 -0.229 0.000 0.780 111 N N -0.543 118.291 118.700 0.224 0.000 2.328 111 N HA 0.261 5.000 4.740 -0.001 0.000 0.247 111 N C -0.192 175.356 175.510 0.063 0.000 1.165 111 N CA -0.107 53.015 53.050 0.120 0.000 0.873 111 N CB 0.304 38.844 38.487 0.088 0.000 1.125 111 N HN 0.139 8.519 8.380 -0.000 0.000 0.513 112 I N 0.689 121.313 120.570 0.091 0.000 2.466 112 I HA 0.254 4.423 4.170 -0.001 0.000 0.289 112 I C -0.095 176.060 176.117 0.063 0.000 1.026 112 I CA -1.235 60.125 61.300 0.099 0.000 1.078 112 I CB 2.205 40.277 38.000 0.120 0.000 1.249 112 I HN -0.219 7.991 8.210 -0.000 0.000 0.429 113 V N 6.197 126.159 119.914 0.080 0.000 2.583 113 V HA -0.084 4.036 4.120 -0.001 0.000 0.302 113 V C 0.762 176.805 176.094 -0.085 0.000 1.033 113 V CA 0.522 62.834 62.300 0.020 0.000 1.194 113 V CB -0.171 31.688 31.823 0.060 0.000 0.879 113 V HN 0.546 8.736 8.190 -0.000 0.000 0.482 114 K N 4.554 124.835 120.400 -0.200 0.000 2.276 114 K HA 0.265 4.584 4.320 -0.001 0.000 0.283 114 K C -0.580 175.701 176.600 -0.531 0.000 1.044 114 K CA -0.661 55.395 56.287 -0.385 0.000 0.944 114 K CB 1.184 33.321 32.500 -0.604 0.000 1.012 114 K HN 0.508 8.758 8.250 -0.000 0.000 0.472 115 L N 5.019 126.017 121.223 -0.374 0.000 2.319 115 L HA 0.203 4.542 4.340 -0.001 0.000 0.280 115 L C 0.201 176.919 176.870 -0.253 0.000 1.099 115 L CA 0.510 55.179 54.840 -0.286 0.000 0.828 115 L CB 0.198 42.118 42.059 -0.231 0.000 1.150 115 L HN 0.579 8.809 8.230 -0.000 0.000 0.442 116 F N 2.030 122.032 119.950 0.088 0.000 2.437 116 F HA 0.328 4.855 4.527 -0.001 0.000 0.288 116 F C 0.885 176.809 175.800 0.207 0.000 1.085 116 F CA 0.058 58.122 58.000 0.108 0.000 1.430 116 F CB 0.171 39.169 39.000 -0.004 0.000 1.120 116 F HN 0.553 8.853 8.300 -0.000 0.000 0.556 117 E N -0.322 120.087 120.200 0.348 0.000 2.363 117 E HA 0.475 4.824 4.350 -0.001 0.000 0.281 117 E C -1.896 174.809 176.600 0.174 0.000 0.953 117 E CA -0.472 56.103 56.400 0.291 0.000 0.778 117 E CB 2.423 32.298 29.700 0.292 0.000 1.220 117 E HN -0.247 8.113 8.360 -0.000 0.000 0.431 118 V N 4.967 124.985 119.914 0.174 0.000 2.409 118 V HA 0.484 4.604 4.120 -0.001 0.000 0.291 118 V C -0.216 175.960 176.094 0.137 0.000 1.020 118 V CA -0.528 61.837 62.300 0.108 0.000 0.848 118 V CB 1.225 33.087 31.823 0.064 0.000 0.990 118 V HN 0.542 8.732 8.190 -0.000 0.000 0.430 119 I N 4.305 124.965 120.570 0.151 0.000 2.406 119 I HA 0.510 4.680 4.170 -0.001 0.000 0.290 119 I C -0.090 176.157 176.117 0.217 0.000 0.999 119 I CA -0.391 61.010 61.300 0.168 0.000 1.124 119 I CB 1.832 39.898 38.000 0.110 0.000 1.289 119 I HN 0.588 8.798 8.210 -0.000 0.000 0.441 120 E N 4.432 124.731 120.200 0.166 0.000 2.199 120 E HA 0.537 4.886 4.350 -0.001 0.000 0.269 120 E C -0.693 175.996 176.600 0.147 0.000 0.899 120 E CA -0.643 55.846 56.400 0.148 0.000 0.772 120 E CB 2.526 32.292 29.700 0.109 0.000 1.155 120 E HN 0.692 9.052 8.360 -0.000 0.000 0.408 121 T N -1.197 113.448 114.554 0.152 0.000 2.888 121 T HA 0.263 4.613 4.350 -0.001 0.000 0.288 121 T C 0.876 175.625 174.700 0.082 0.000 1.063 121 T CA -0.741 61.432 62.100 0.123 0.000 1.010 121 T CB 1.336 70.303 68.868 0.165 0.000 1.214 121 T HN 0.377 8.617 8.240 -0.000 0.000 0.533 122 E N 0.458 120.697 120.200 0.066 0.000 2.070 122 E HA -0.177 4.173 4.350 -0.001 0.000 0.197 122 E C 1.643 178.262 176.600 0.032 0.000 1.004 122 E CA 1.478 57.907 56.400 0.048 0.000 0.805 122 E CB -0.101 29.624 29.700 0.041 0.000 0.744 122 E HN 0.583 8.943 8.360 -0.000 0.000 0.451 123 K N -0.519 119.898 120.400 0.028 0.000 2.354 123 K HA 0.116 4.436 4.320 -0.001 0.000 0.194 123 K C -0.190 176.386 176.600 -0.040 0.000 1.038 123 K CA 0.370 56.657 56.287 0.000 0.000 1.052 123 K CB 1.201 33.706 32.500 0.008 0.000 0.861 123 K HN -0.063 8.187 8.250 -0.000 0.000 0.535 124 T N 0.940 115.469 114.554 -0.042 0.000 2.952 124 T HA 0.360 4.709 4.350 -0.001 0.000 0.305 124 T C -1.667 172.934 174.700 -0.166 0.000 1.064 124 T CA -0.750 61.242 62.100 -0.180 0.000 1.008 124 T CB 2.091 70.782 68.868 -0.295 0.000 1.078 124 T HN -0.111 8.129 8.240 -0.000 0.000 0.459 125 L N 3.429 124.493 121.223 -0.265 0.000 2.296 125 L HA 0.633 4.972 4.340 -0.001 0.000 0.286 125 L C -1.749 174.956 176.870 -0.274 0.000 1.023 125 L CA -0.609 54.129 54.840 -0.169 0.000 0.812 125 L CB 0.403 42.354 42.059 -0.179 0.000 1.223 125 L HN 0.617 8.847 8.230 -0.000 0.000 0.421 126 Y N 5.639 125.913 120.300 -0.043 0.000 2.331 126 Y HA 0.543 5.092 4.550 -0.001 0.000 0.338 126 Y C -0.458 175.403 175.900 -0.064 0.000 0.976 126 Y CA -0.725 57.343 58.100 -0.053 0.000 1.137 126 Y CB 1.247 39.681 38.460 -0.043 0.000 1.172 126 Y HN 0.379 8.659 8.280 -0.000 0.000 0.478 127 L N 4.869 126.116 121.223 0.040 0.000 2.276 127 L HA 0.482 4.821 4.340 -0.001 0.000 0.286 127 L C -0.699 176.164 176.870 -0.013 0.000 1.024 127 L CA -0.986 53.852 54.840 -0.003 0.000 0.826 127 L CB 0.921 42.953 42.059 -0.045 0.000 1.211 127 L HN 0.346 8.576 8.230 -0.000 0.000 0.422 128 V N 4.752 124.653 119.914 -0.022 0.000 2.408 128 V HA 0.352 4.472 4.120 -0.001 0.000 0.267 128 V C 0.433 176.578 176.094 0.084 0.000 1.047 128 V CA -0.135 62.136 62.300 -0.047 0.000 0.937 128 V CB 0.982 32.683 31.823 -0.204 0.000 0.999 128 V HN 0.621 8.811 8.190 -0.000 0.000 0.472 129 M N 2.773 122.427 119.600 0.091 0.000 2.598 129 M HA 0.479 4.958 4.480 -0.001 0.000 0.317 129 M C -0.029 176.385 176.300 0.190 0.000 1.179 129 M CA -1.070 54.258 55.300 0.046 0.000 0.936 129 M CB 1.431 34.050 32.600 0.032 0.000 1.713 129 M HN 0.730 9.020 8.290 -0.000 0.000 0.460 130 E N 1.243 121.468 120.200 0.042 0.000 2.502 130 E HA -0.081 4.268 4.350 -0.001 0.000 0.261 130 E C -1.640 175.127 176.600 0.278 0.000 0.974 130 E CA 0.228 56.758 56.400 0.216 0.000 0.936 130 E CB 0.561 30.256 29.700 -0.007 0.000 0.926 130 E HN 0.471 8.831 8.360 -0.000 0.000 0.459 131 Y N 3.416 123.843 120.300 0.212 0.000 2.341 131 Y HA 0.462 5.011 4.550 -0.001 0.000 0.340 131 Y C -0.798 175.198 175.900 0.159 0.000 0.997 131 Y CA -1.218 56.979 58.100 0.162 0.000 1.149 131 Y CB 1.144 39.700 38.460 0.160 0.000 1.171 131 Y HN 0.485 8.765 8.280 -0.000 0.000 0.494 132 A N 4.557 127.247 122.820 -0.216 0.000 2.444 132 A HA 0.394 4.714 4.320 -0.001 0.000 0.332 132 A C 0.821 178.074 177.584 -0.552 0.000 1.430 132 A CA 0.035 51.900 52.037 -0.286 0.000 0.975 132 A CB -0.374 18.578 19.000 -0.081 0.000 1.147 132 A HN 0.941 9.091 8.150 -0.000 0.000 0.524 133 S N 1.805 117.080 115.700 -0.707 0.000 2.481 133 S HA -0.030 4.440 4.470 -0.001 0.000 0.231 133 S C 1.567 176.058 174.600 -0.180 0.000 0.996 133 S CA 1.039 58.882 58.200 -0.595 0.000 0.942 133 S CB -0.151 62.820 63.200 -0.381 0.000 0.768 133 S HN 0.932 9.242 8.310 -0.000 0.000 0.520 134 G N 0.930 109.660 108.800 -0.116 0.000 2.776 134 G HA2 0.435 4.394 3.960 -0.001 0.000 0.209 134 G HA3 0.435 4.394 3.960 -0.001 0.000 0.209 134 G C 0.944 175.865 174.900 0.035 0.000 1.145 134 G CA 0.107 45.201 45.100 -0.010 0.000 0.791 134 G HN 1.140 9.430 8.290 -0.000 0.000 0.530 135 G N -0.089 108.717 108.800 0.010 0.000 2.642 135 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.231 135 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.231 135 G C -0.313 174.628 174.900 0.067 0.000 1.338 135 G CA -0.231 44.904 45.100 0.058 0.000 0.883 135 G HN 0.502 8.792 8.290 -0.000 0.000 0.570 136 E N -0.719 119.545 120.200 0.107 0.000 2.313 136 E HA 0.426 4.775 4.350 -0.001 0.000 0.272 136 E C 1.453 178.154 176.600 0.168 0.000 1.038 136 E CA -0.359 56.114 56.400 0.122 0.000 0.863 136 E CB 1.903 31.694 29.700 0.152 0.000 1.060 136 E HN 0.368 8.728 8.360 -0.000 0.000 0.402 137 V N 2.698 122.689 119.914 0.129 0.000 2.392 137 V HA -0.276 3.843 4.120 -0.001 0.000 0.249 137 V C 1.742 177.973 176.094 0.227 0.000 1.059 137 V CA 1.716 64.097 62.300 0.135 0.000 1.051 137 V CB -0.584 31.277 31.823 0.064 0.000 0.658 137 V HN 0.726 8.916 8.190 -0.000 0.000 0.455 138 F N 1.503 121.518 119.950 0.108 0.000 2.043 138 F HA -0.296 4.230 4.527 -0.001 0.000 0.297 138 F C 2.315 178.190 175.800 0.124 0.000 1.118 138 F CA 2.421 60.491 58.000 0.117 0.000 1.202 138 F CB -0.249 38.803 39.000 0.085 0.000 0.965 138 F HN 0.244 8.544 8.300 -0.000 0.000 0.482 139 D N -1.469 119.169 120.400 0.397 0.000 2.269 139 D HA -0.181 4.459 4.640 -0.001 0.000 0.208 139 D C 1.863 178.245 176.300 0.137 0.000 0.963 139 D CA 0.955 55.111 54.000 0.260 0.000 0.864 139 D CB -0.510 40.433 40.800 0.239 0.000 0.936 139 D HN 0.436 8.806 8.370 -0.000 0.000 0.505 140 Y N 1.635 121.972 120.300 0.061 0.000 2.200 140 Y HA -0.122 4.427 4.550 -0.001 0.000 0.290 140 Y C 2.221 178.150 175.900 0.049 0.000 1.137 140 Y CA 1.143 59.290 58.100 0.080 0.000 1.163 140 Y CB -0.267 38.269 38.460 0.125 0.000 0.988 140 Y HN -0.138 8.142 8.280 -0.000 0.000 0.518 141 L N -1.259 120.079 121.223 0.192 0.000 2.046 141 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 141 L C 2.323 179.133 176.870 -0.100 0.000 1.077 141 L CA 1.131 56.003 54.840 0.052 0.000 0.747 141 L CB -0.741 41.319 42.059 0.002 0.000 0.896 141 L HN 0.109 8.339 8.230 -0.000 0.000 0.432 142 V N 0.011 119.820 119.914 -0.174 0.000 2.343 142 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 142 V C 2.719 178.705 176.094 -0.180 0.000 1.051 142 V CA 1.850 64.052 62.300 -0.164 0.000 1.036 142 V CB -0.857 30.891 31.823 -0.125 0.000 0.654 142 V HN 0.486 8.676 8.190 -0.000 0.000 0.451 143 A N -1.245 121.416 122.820 -0.265 0.000 1.930 143 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 143 A C 1.981 179.191 177.584 -0.625 0.000 1.175 143 A CA 1.612 53.373 52.037 -0.460 0.000 0.627 143 A CB -0.498 18.133 19.000 -0.617 0.000 0.815 143 A HN 0.693 8.843 8.150 -0.000 0.000 0.443 144 H N -2.154 116.692 119.070 -0.373 0.000 2.652 144 H HA 0.273 4.828 4.556 -0.001 0.000 0.274 144 H C 1.805 176.846 175.328 -0.479 0.000 1.021 144 H CA 0.683 56.460 56.048 -0.453 0.000 1.187 144 H CB 0.512 29.909 29.762 -0.608 0.000 1.505 144 H HN 0.585 8.865 8.280 -0.000 0.000 0.530 145 G N 1.266 109.935 108.800 -0.218 0.000 4.655 145 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.220 145 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.220 145 G C 0.088 175.093 174.900 0.175 0.000 1.403 145 G CA 0.667 45.708 45.100 -0.098 0.000 0.931 145 G HN 0.521 8.811 8.290 -0.000 0.000 0.654 146 W N -1.606 119.687 121.300 -0.012 0.000 2.923 146 W HA 0.814 5.474 4.660 -0.001 0.000 0.373 146 W C -0.584 175.958 176.519 0.037 0.000 1.205 146 W CA -1.402 55.943 57.345 -0.000 0.000 1.180 146 W CB 0.477 29.902 29.460 -0.059 0.000 1.477 146 W HN 0.294 8.474 8.180 -0.000 0.000 0.581 147 M N 2.509 122.308 119.600 0.332 0.000 2.336 147 M HA 0.370 4.849 4.480 -0.001 0.000 0.342 147 M C 0.005 176.506 176.300 0.335 0.000 1.128 147 M CA -0.861 54.580 55.300 0.235 0.000 1.016 147 M CB 1.688 34.412 32.600 0.205 0.000 1.665 147 M HN 0.358 8.648 8.290 -0.000 0.000 0.445 148 K N 1.617 122.159 120.400 0.237 0.000 2.380 148 K HA 0.009 4.328 4.320 -0.001 0.000 0.267 148 K C 0.689 177.408 176.600 0.198 0.000 0.990 148 K CA 0.016 56.432 56.287 0.216 0.000 0.946 148 K CB 0.747 33.325 32.500 0.129 0.000 0.937 148 K HN 0.679 8.929 8.250 -0.000 0.000 0.491 149 E N 1.896 122.222 120.200 0.210 0.000 2.118 149 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 149 E C 1.455 178.146 176.600 0.152 0.000 0.992 149 E CA 1.452 58.033 56.400 0.301 0.000 0.804 149 E CB 0.070 29.995 29.700 0.375 0.000 0.741 149 E HN 0.402 8.762 8.360 -0.000 0.000 0.458 150 K N 0.774 121.208 120.400 0.057 0.000 2.057 150 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 150 K C 2.237 178.852 176.600 0.024 0.000 1.049 150 K CA 1.225 57.506 56.287 -0.010 0.000 0.931 150 K CB -0.075 32.417 32.500 -0.013 0.000 0.714 150 K HN 0.134 8.384 8.250 -0.000 0.000 0.440 151 E N 0.746 120.984 120.200 0.063 0.000 2.047 151 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 151 E C 2.004 178.671 176.600 0.111 0.000 0.987 151 E CA 0.890 57.331 56.400 0.068 0.000 0.799 151 E CB -0.037 29.702 29.700 0.065 0.000 0.752 151 E HN 0.281 8.641 8.360 -0.000 0.000 0.449 152 A N 1.861 124.788 122.820 0.179 0.000 1.948 152 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 152 A C 2.224 180.021 177.584 0.355 0.000 1.177 152 A CA 1.819 54.015 52.037 0.264 0.000 0.636 152 A CB -0.680 18.512 19.000 0.320 0.000 0.815 152 A HN 0.282 8.432 8.150 -0.000 0.000 0.449 153 R N -0.459 120.170 120.500 0.216 0.000 2.092 153 R HA -0.044 4.295 4.340 -0.001 0.000 0.231 153 R C 2.276 178.632 176.300 0.093 0.000 1.119 153 R CA 1.384 57.489 56.100 0.008 0.000 0.970 153 R CB -0.431 29.552 30.300 -0.529 0.000 0.864 153 R HN 0.418 8.688 8.270 -0.000 0.000 0.440 154 A N 1.242 124.106 122.820 0.073 0.000 1.877 154 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 154 A C 2.020 179.647 177.584 0.073 0.000 1.186 154 A CA 1.746 53.821 52.037 0.063 0.000 0.620 154 A CB -0.323 18.704 19.000 0.045 0.000 0.822 154 A HN 0.256 8.406 8.150 -0.000 0.000 0.443 155 K N -1.366 119.095 120.400 0.102 0.000 2.057 155 K HA -0.007 4.312 4.320 -0.001 0.000 0.206 155 K C 1.567 178.266 176.600 0.164 0.000 1.050 155 K CA 1.334 57.680 56.287 0.098 0.000 0.935 155 K CB -0.439 32.113 32.500 0.085 0.000 0.715 155 K HN 0.460 8.710 8.250 -0.000 0.000 0.439 156 F N 1.296 121.302 119.950 0.093 0.000 2.293 156 F HA -0.020 4.507 4.527 -0.001 0.000 0.297 156 F C 1.768 177.632 175.800 0.108 0.000 1.089 156 F CA 1.015 59.091 58.000 0.126 0.000 1.377 156 F CB 0.101 39.260 39.000 0.265 0.000 1.051 156 F HN -0.114 8.186 8.300 -0.000 0.000 0.511 157 R N -0.169 120.397 120.500 0.111 0.000 2.091 157 R HA -0.204 4.135 4.340 -0.001 0.000 0.238 157 R C 2.166 178.431 176.300 -0.060 0.000 1.136 157 R CA 1.959 58.048 56.100 -0.018 0.000 0.959 157 R CB -0.500 29.760 30.300 -0.065 0.000 0.856 157 R HN 0.413 8.683 8.270 -0.000 0.000 0.437 158 Q N 0.222 120.002 119.800 -0.033 0.000 2.083 158 Q HA -0.084 4.255 4.340 -0.001 0.000 0.198 158 Q C 2.190 178.137 176.000 -0.088 0.000 0.969 158 Q CA 1.176 56.964 55.803 -0.026 0.000 0.838 158 Q CB -0.046 28.689 28.738 -0.006 0.000 0.900 158 Q HN 0.353 8.623 8.270 -0.000 0.000 0.436 159 I N -0.028 120.460 120.570 -0.138 0.000 2.163 159 I HA -0.287 3.882 4.170 -0.001 0.000 0.243 159 I C 2.169 178.106 176.117 -0.300 0.000 1.085 159 I CA 1.020 62.188 61.300 -0.220 0.000 1.347 159 I CB -0.299 37.570 38.000 -0.218 0.000 1.044 159 I HN 0.039 8.249 8.210 -0.000 0.000 0.408 160 V N -0.309 119.374 119.914 -0.384 0.000 2.427 160 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 160 V C 2.577 178.579 176.094 -0.152 0.000 1.051 160 V CA 2.034 64.150 62.300 -0.307 0.000 1.048 160 V CB -0.424 31.212 31.823 -0.313 0.000 0.666 160 V HN 0.465 8.655 8.190 -0.000 0.000 0.456 161 S N 0.082 115.723 115.700 -0.098 0.000 2.356 161 S HA -0.206 4.264 4.470 -0.001 0.000 0.223 161 S C 2.157 176.678 174.600 -0.130 0.000 1.032 161 S CA 1.769 59.977 58.200 0.014 0.000 1.005 161 S CB -0.316 62.964 63.200 0.134 0.000 0.867 161 S HN 0.609 8.919 8.310 -0.000 0.000 0.449 162 A N 0.627 123.202 122.820 -0.408 0.000 1.877 162 A HA 0.001 4.321 4.320 -0.001 0.000 0.216 162 A C 2.351 179.749 177.584 -0.309 0.000 1.186 162 A CA 1.847 53.427 52.037 -0.761 0.000 0.620 162 A CB -0.984 17.700 19.000 -0.527 0.000 0.822 162 A HN 0.468 8.618 8.150 -0.000 0.000 0.443 163 V N -0.027 119.735 119.914 -0.253 0.000 2.453 163 V HA -0.205 3.915 4.120 -0.001 0.000 0.247 163 V C 2.716 178.568 176.094 -0.403 0.000 1.048 163 V CA 1.906 64.031 62.300 -0.291 0.000 1.049 163 V CB -0.644 31.008 31.823 -0.286 0.000 0.672 163 V HN 0.651 8.841 8.190 -0.000 0.000 0.457 164 Q N -0.357 119.316 119.800 -0.212 0.000 2.124 164 Q HA -0.253 4.086 4.340 -0.001 0.000 0.202 164 Q C 2.201 178.219 176.000 0.031 0.000 0.977 164 Q CA 2.145 57.900 55.803 -0.080 0.000 0.850 164 Q CB -0.334 28.431 28.738 0.045 0.000 0.901 164 Q HN 0.771 9.041 8.270 -0.000 0.000 0.429 165 Y N 0.340 120.611 120.300 -0.049 0.000 2.181 165 Y HA -0.238 4.312 4.550 -0.001 0.000 0.288 165 Y C 2.491 178.409 175.900 0.030 0.000 1.146 165 Y CA 1.666 59.796 58.100 0.050 0.000 1.164 165 Y CB -0.687 37.859 38.460 0.144 0.000 0.982 165 Y HN 0.195 8.475 8.280 -0.000 0.000 0.515 166 C N 0.638 119.859 119.300 -0.131 0.000 2.385 166 C HA -0.277 4.183 4.460 -0.001 0.000 0.275 166 C C 2.546 177.549 174.990 0.023 0.000 1.207 166 C CA 1.952 60.913 59.018 -0.095 0.000 1.760 166 C CB -1.720 26.086 27.740 0.110 0.000 2.051 166 C HN 0.692 8.922 8.230 -0.000 0.000 0.467 167 H N -0.437 118.654 119.070 0.035 0.000 2.387 167 H HA -0.164 4.391 4.556 -0.001 0.000 0.299 167 H C 2.424 177.650 175.328 -0.170 0.000 1.090 167 H CA 1.138 57.252 56.048 0.110 0.000 1.332 167 H CB -0.156 29.713 29.762 0.179 0.000 1.386 167 H HN 0.622 8.902 8.280 -0.000 0.000 0.516 168 Q N 0.665 120.402 119.800 -0.105 0.000 2.135 168 Q HA -0.120 4.220 4.340 -0.001 0.000 0.204 168 Q C 1.419 177.095 176.000 -0.539 0.000 0.981 168 Q CA 0.924 56.550 55.803 -0.294 0.000 0.856 168 Q CB 0.212 28.891 28.738 -0.098 0.000 0.902 168 Q HN 0.259 8.529 8.270 -0.000 0.000 0.425 169 K N -0.156 119.992 120.400 -0.420 0.000 2.458 169 K HA 0.019 4.338 4.320 -0.001 0.000 0.194 169 K C -0.350 176.169 176.600 -0.136 0.000 1.024 169 K CA 0.036 56.165 56.287 -0.264 0.000 1.108 169 K CB 0.054 32.354 32.500 -0.334 0.000 0.846 169 K HN 0.180 8.430 8.250 -0.000 0.000 0.518 170 F N -0.305 119.470 119.950 -0.291 0.000 3.074 170 F HA -0.242 4.285 4.527 -0.001 0.000 0.289 170 F C 0.010 175.528 175.800 -0.470 0.000 0.863 170 F CA 0.201 57.717 58.000 -0.807 0.000 1.121 170 F CB -2.200 36.297 39.000 -0.839 0.000 1.169 170 F HN -0.000 8.300 8.300 -0.000 0.000 0.570 171 I N 0.761 121.417 120.570 0.143 0.000 2.378 171 I HA 0.475 4.644 4.170 -0.001 0.000 0.291 171 I C 0.095 176.553 176.117 0.569 0.000 0.992 171 I CA -1.327 60.167 61.300 0.323 0.000 1.154 171 I CB 1.488 39.603 38.000 0.192 0.000 1.315 171 I HN -0.056 8.154 8.210 -0.000 0.000 0.448 172 V N 3.179 123.400 119.914 0.512 0.000 2.509 172 V HA 0.289 4.409 4.120 -0.001 0.000 0.284 172 V C 0.905 177.183 176.094 0.307 0.000 1.047 172 V CA -0.297 62.221 62.300 0.362 0.000 0.952 172 V CB 1.373 33.283 31.823 0.146 0.000 0.988 172 V HN 0.785 8.975 8.190 -0.000 0.000 0.469 173 H N 4.484 123.669 119.070 0.192 0.000 2.329 173 H HA 0.097 4.652 4.556 -0.001 0.000 0.306 173 H C 1.495 176.852 175.328 0.048 0.000 1.062 173 H CA 1.947 58.019 56.048 0.040 0.000 1.364 173 H CB 0.312 30.003 29.762 -0.119 0.000 1.409 173 H HN 0.863 9.143 8.280 -0.000 0.000 0.519 174 R N -0.501 120.160 120.500 0.269 0.000 3.922 174 R HA -0.183 4.156 4.340 -0.001 0.000 0.447 174 R C -0.481 175.996 176.300 0.296 0.000 1.035 174 R CA 1.230 57.463 56.100 0.222 0.000 1.289 174 R CB -1.594 28.800 30.300 0.156 0.000 1.906 174 R HN 0.338 8.608 8.270 -0.000 0.000 0.540 175 D N 0.235 120.883 120.400 0.413 0.000 2.908 175 D HA 0.178 4.818 4.640 -0.001 0.000 0.361 175 D C -0.909 175.429 176.300 0.064 0.000 1.416 175 D CA -0.339 53.795 54.000 0.223 0.000 0.796 175 D CB 0.365 41.185 40.800 0.034 0.000 1.185 175 D HN -0.097 8.273 8.370 -0.000 0.000 0.451 176 L N 2.204 123.383 121.223 -0.073 0.000 2.477 176 L HA 0.288 4.628 4.340 -0.001 0.000 0.272 176 L C 0.642 177.249 176.870 -0.437 0.000 1.157 176 L CA 0.681 55.308 54.840 -0.355 0.000 0.889 176 L CB -0.156 41.751 42.059 -0.254 0.000 1.158 176 L HN 0.283 8.513 8.230 -0.000 0.000 0.473 177 K N 1.990 122.066 120.400 -0.540 0.000 2.642 177 K HA 0.625 4.944 4.320 -0.001 0.000 0.290 177 K C 0.140 176.511 176.600 -0.381 0.000 1.006 177 K CA -0.268 55.431 56.287 -0.979 0.000 0.869 177 K CB 0.600 32.451 32.500 -1.082 0.000 1.499 177 K HN 0.152 8.402 8.250 -0.000 0.000 0.403 178 A N 1.033 123.780 122.820 -0.122 0.000 1.908 178 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 178 A C 1.622 179.282 177.584 0.128 0.000 1.181 178 A CA 2.140 54.259 52.037 0.136 0.000 0.627 178 A CB -0.898 18.305 19.000 0.338 0.000 0.818 178 A HN 0.832 8.982 8.150 -0.000 0.000 0.445 179 E N 0.177 120.434 120.200 0.095 0.000 2.204 179 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 179 E C 1.266 177.848 176.600 -0.030 0.000 0.990 179 E CA 1.346 57.757 56.400 0.018 0.000 0.821 179 E CB -0.331 29.298 29.700 -0.118 0.000 0.750 179 E HN 0.801 9.161 8.360 -0.000 0.000 0.477 180 N N -0.170 118.481 118.700 -0.082 0.000 2.322 180 N HA 0.117 4.856 4.740 -0.001 0.000 0.194 180 N C -0.644 174.813 175.510 -0.089 0.000 1.126 180 N CA -0.152 52.842 53.050 -0.093 0.000 0.845 180 N CB 0.401 38.807 38.487 -0.135 0.000 0.976 180 N HN 0.031 8.411 8.380 -0.000 0.000 0.475 181 L N 2.215 123.404 121.223 -0.057 0.000 2.277 181 L HA 0.419 4.758 4.340 -0.001 0.000 0.284 181 L C -0.363 176.501 176.870 -0.010 0.000 1.028 181 L CA -0.401 54.412 54.840 -0.045 0.000 0.835 181 L CB 1.057 43.096 42.059 -0.035 0.000 1.215 181 L HN -0.056 8.174 8.230 -0.000 0.000 0.425 182 L N 3.947 125.165 121.223 -0.010 0.000 2.400 182 L HA 0.596 4.935 4.340 -0.001 0.000 0.264 182 L C -0.383 176.471 176.870 -0.026 0.000 1.061 182 L CA -0.839 53.999 54.840 -0.003 0.000 0.799 182 L CB 1.536 43.599 42.059 0.007 0.000 1.240 182 L HN 0.450 8.680 8.230 -0.000 0.000 0.461 183 L N 1.012 122.214 121.223 -0.036 0.000 2.356 183 L HA 0.327 4.667 4.340 -0.001 0.000 0.277 183 L C -0.541 176.291 176.870 -0.062 0.000 0.996 183 L CA -0.844 53.960 54.840 -0.059 0.000 0.822 183 L CB 1.878 43.886 42.059 -0.086 0.000 1.256 183 L HN 0.633 8.863 8.230 -0.000 0.000 0.413 184 D N 2.455 122.823 120.400 -0.053 0.000 2.440 184 D HA 0.212 4.852 4.640 -0.001 0.000 0.269 184 D C 1.024 177.288 176.300 -0.060 0.000 1.249 184 D CA -0.137 53.827 54.000 -0.061 0.000 1.055 184 D CB 0.943 41.735 40.800 -0.013 0.000 1.104 184 D HN 0.450 8.820 8.370 -0.000 0.000 0.561 185 A N -0.612 122.174 122.820 -0.057 0.000 2.015 185 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 185 A C 1.275 178.845 177.584 -0.023 0.000 1.163 185 A CA 1.231 53.245 52.037 -0.039 0.000 0.646 185 A CB -0.463 18.519 19.000 -0.030 0.000 0.806 185 A HN 0.550 8.700 8.150 -0.000 0.000 0.448 186 D N -0.637 119.748 120.400 -0.025 0.000 2.336 186 D HA 0.144 4.784 4.640 -0.001 0.000 0.228 186 D C 0.330 176.615 176.300 -0.024 0.000 1.120 186 D CA 0.103 54.091 54.000 -0.021 0.000 0.839 186 D CB 0.281 41.069 40.800 -0.021 0.000 0.932 186 D HN 0.229 8.599 8.370 -0.000 0.000 0.509 187 M N -0.007 119.573 119.600 -0.033 0.000 2.872 187 M HA -0.198 4.281 4.480 -0.001 0.000 0.200 187 M C -0.626 175.634 176.300 -0.067 0.000 0.582 187 M CA 0.537 55.801 55.300 -0.059 0.000 0.706 187 M CB -2.193 30.376 32.600 -0.052 0.000 2.560 187 M HN 0.046 8.336 8.290 -0.000 0.000 0.476 188 N N 1.048 119.722 118.700 -0.043 0.000 2.518 188 N HA 0.407 5.147 4.740 -0.001 0.000 0.283 188 N C 0.351 175.840 175.510 -0.035 0.000 1.119 188 N CA -0.437 52.593 53.050 -0.032 0.000 0.983 188 N CB 1.098 39.577 38.487 -0.013 0.000 1.139 188 N HN 0.229 8.609 8.380 -0.000 0.000 0.465 189 I N 1.831 122.382 120.570 -0.031 0.000 2.648 189 I HA -0.020 4.149 4.170 -0.001 0.000 0.284 189 I C 0.546 176.658 176.117 -0.009 0.000 1.153 189 I CA 0.486 61.768 61.300 -0.030 0.000 1.426 189 I CB 0.013 37.994 38.000 -0.030 0.000 1.381 189 I HN 0.163 8.373 8.210 -0.000 0.000 0.571 190 K N 7.778 128.174 120.400 -0.006 0.000 2.604 190 K HA 0.488 4.807 4.320 -0.001 0.000 0.247 190 K C -0.489 176.123 176.600 0.020 0.000 0.956 190 K CA -0.595 55.703 56.287 0.019 0.000 0.896 190 K CB 2.037 34.555 32.500 0.031 0.000 1.131 190 K HN 0.450 8.700 8.250 -0.000 0.000 0.440 191 I N 2.259 122.844 120.570 0.026 0.000 2.556 191 I HA 0.129 4.299 4.170 -0.001 0.000 0.284 191 I C 0.646 176.849 176.117 0.144 0.000 1.114 191 I CA 0.048 61.356 61.300 0.014 0.000 1.418 191 I CB 0.877 38.855 38.000 -0.037 0.000 1.394 191 I HN 0.565 8.775 8.210 -0.000 0.000 0.552 192 A N 4.399 127.267 122.820 0.080 0.000 2.437 192 A HA 0.582 4.901 4.320 -0.001 0.000 0.288 192 A C -0.383 177.245 177.584 0.073 0.000 1.201 192 A CA -0.435 51.690 52.037 0.147 0.000 0.795 192 A CB 1.174 20.217 19.000 0.072 0.000 1.359 192 A HN 0.760 8.910 8.150 -0.000 0.000 0.435 193 D N -1.688 118.773 120.400 0.102 0.000 3.437 193 D HA -0.149 4.490 4.640 -0.001 0.000 0.243 193 D C -0.811 175.335 176.300 -0.256 0.000 1.104 193 D CA 0.594 54.576 54.000 -0.031 0.000 1.009 193 D CB -1.448 39.294 40.800 -0.097 0.000 0.937 193 D HN 0.403 8.773 8.370 -0.000 0.000 0.417 194 F N 0.481 120.331 119.950 -0.167 0.000 2.663 194 F HA 0.362 4.889 4.527 -0.001 0.000 0.299 194 F C 2.289 177.979 175.800 -0.184 0.000 1.143 194 F CA 0.259 58.102 58.000 -0.261 0.000 1.387 194 F CB 0.313 39.225 39.000 -0.146 0.000 1.019 194 F HN 0.372 8.672 8.300 -0.000 0.000 0.523 195 G N -0.597 108.145 108.800 -0.096 0.000 2.470 195 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.220 195 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.220 195 G C 1.401 176.357 174.900 0.093 0.000 1.121 195 G CA 0.403 45.466 45.100 -0.062 0.000 0.766 195 G HN 0.467 8.757 8.290 -0.000 0.000 0.553 196 F N 0.853 120.730 119.950 -0.122 0.000 2.678 196 F HA 0.229 4.756 4.527 -0.001 0.000 0.305 196 F C 0.937 176.693 175.800 -0.073 0.000 1.090 196 F CA -0.851 57.096 58.000 -0.088 0.000 1.272 196 F CB 0.627 39.577 39.000 -0.083 0.000 1.060 196 F HN -0.048 8.252 8.300 -0.000 0.000 0.576 197 S N 0.873 116.623 115.700 0.084 0.000 2.585 197 S HA 0.129 4.598 4.470 -0.001 0.000 0.273 197 S C -0.235 174.436 174.600 0.118 0.000 1.339 197 S CA -0.199 58.056 58.200 0.092 0.000 1.028 197 S CB 1.036 64.332 63.200 0.161 0.000 0.906 197 S HN 0.230 8.540 8.310 -0.000 0.000 0.528 198 N N 0.296 119.078 118.700 0.138 0.000 2.610 198 N HA 0.293 5.032 4.740 -0.001 0.000 0.264 198 N C -1.513 174.094 175.510 0.163 0.000 1.348 198 N CA -0.717 52.403 53.050 0.116 0.000 0.819 198 N CB 1.316 39.846 38.487 0.072 0.000 1.521 198 N HN 0.526 8.906 8.380 -0.000 0.000 0.497 199 E N 0.126 120.386 120.200 0.100 0.000 2.390 199 E HA 0.365 4.715 4.350 -0.001 0.000 0.261 199 E C -0.657 176.019 176.600 0.128 0.000 1.076 199 E CA 0.164 56.604 56.400 0.068 0.000 0.905 199 E CB 0.486 30.172 29.700 -0.024 0.000 0.984 199 E HN 0.408 8.768 8.360 -0.000 0.000 0.427 200 F N -1.528 118.401 119.950 -0.035 0.000 2.629 200 F HA 0.737 5.264 4.527 -0.001 0.000 0.316 200 F C -0.633 175.064 175.800 -0.171 0.000 1.081 200 F CA -0.989 56.947 58.000 -0.108 0.000 0.954 200 F CB 1.309 40.232 39.000 -0.129 0.000 1.337 200 F HN 0.336 8.636 8.300 -0.000 0.000 0.474 201 T N -1.776 112.759 114.554 -0.032 0.000 2.916 201 T HA 0.470 4.819 4.350 -0.001 0.000 0.292 201 T C -0.072 174.637 174.700 0.015 0.000 1.055 201 T CA -0.549 61.444 62.100 -0.178 0.000 1.009 201 T CB 1.386 70.157 68.868 -0.163 0.000 1.118 201 T HN 0.633 8.873 8.240 -0.000 0.000 0.497 202 F N 0.861 120.932 119.950 0.201 0.000 2.259 202 F HA 0.216 4.742 4.527 -0.001 0.000 0.298 202 F C 2.618 178.473 175.800 0.091 0.000 1.088 202 F CA 0.547 58.662 58.000 0.193 0.000 1.358 202 F CB -0.173 38.941 39.000 0.190 0.000 1.040 202 F HN 0.821 9.121 8.300 -0.000 0.000 0.505 203 G N -0.110 108.809 108.800 0.197 0.000 3.135 203 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.208 203 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.208 203 G C -0.071 174.861 174.900 0.054 0.000 1.212 203 G CA 0.195 45.355 45.100 0.101 0.000 0.928 203 G HN 0.135 8.425 8.290 -0.000 0.000 0.500 204 N N 0.099 118.833 118.700 0.058 0.000 2.655 204 N HA 0.165 4.904 4.740 -0.001 0.000 0.277 204 N C -0.721 174.771 175.510 -0.030 0.000 1.177 204 N CA -0.496 52.554 53.050 0.000 0.000 0.882 204 N CB 1.677 40.149 38.487 -0.025 0.000 1.481 204 N HN 0.078 8.458 8.380 -0.000 0.000 0.547 205 K N 1.002 121.366 120.400 -0.060 0.000 2.319 205 K HA 0.276 4.596 4.320 -0.001 0.000 0.265 205 K C 0.029 176.462 176.600 -0.278 0.000 1.000 205 K CA -0.216 55.980 56.287 -0.151 0.000 0.943 205 K CB 0.686 33.127 32.500 -0.099 0.000 0.950 205 K HN 0.226 8.476 8.250 -0.000 0.000 0.485 206 L N 1.223 122.104 121.223 -0.570 0.000 2.358 206 L HA 0.182 4.521 4.340 -0.001 0.000 0.268 206 L C 0.787 177.203 176.870 -0.757 0.000 1.032 206 L CA 0.471 54.895 54.840 -0.694 0.000 0.805 206 L CB 1.357 42.869 42.059 -0.911 0.000 1.253 206 L HN 0.706 8.936 8.230 -0.000 0.000 0.452 207 D N -1.535 118.519 120.400 -0.578 0.000 2.473 207 D HA 0.038 4.677 4.640 -0.001 0.000 0.242 207 D C -0.131 175.635 176.300 -0.891 0.000 1.106 207 D CA 0.488 54.170 54.000 -0.530 0.000 0.854 207 D CB 0.865 41.479 40.800 -0.309 0.000 1.192 207 D HN 0.628 8.998 8.370 -0.000 0.000 0.503 208 T N -1.450 112.691 114.554 -0.688 0.000 2.797 208 T HA 0.469 4.818 4.350 -0.001 0.000 0.279 208 T C -0.030 174.365 174.700 -0.510 0.000 0.991 208 T CA -0.683 61.040 62.100 -0.630 0.000 0.979 208 T CB 0.630 69.304 68.868 -0.324 0.000 0.943 208 T HN -0.106 8.134 8.240 -0.000 0.000 0.444 209 F N 2.562 122.475 119.950 -0.061 0.000 2.899 209 F HA 0.309 4.835 4.527 -0.001 0.000 0.308 209 F C 1.251 176.889 175.800 -0.270 0.000 1.221 209 F CA -1.280 56.639 58.000 -0.136 0.000 1.265 209 F CB -0.234 38.691 39.000 -0.125 0.000 1.253 209 F HN 0.789 9.089 8.300 -0.000 0.000 0.534 210 C N -0.732 118.410 119.300 -0.263 0.000 2.405 210 C HA 1.004 5.464 4.460 -0.001 0.000 0.365 210 C C 0.659 175.462 174.990 -0.312 0.000 1.233 210 C CA -0.304 58.406 59.018 -0.514 0.000 2.230 210 C CB 0.488 27.508 27.740 -1.200 0.000 2.443 210 C HN 0.786 9.016 8.230 -0.000 0.000 0.556 211 G N 1.489 110.236 108.800 -0.087 0.000 2.335 211 G HA2 0.554 4.514 3.960 -0.001 0.000 0.291 211 G HA3 0.554 4.514 3.960 -0.001 0.000 0.291 211 G C -1.469 173.565 174.900 0.223 0.000 1.261 211 G CA -0.496 44.699 45.100 0.159 0.000 0.871 211 G HN 0.938 9.228 8.290 -0.000 0.000 0.491 212 S N 1.360 117.172 115.700 0.187 0.000 2.478 212 S HA 0.549 5.019 4.470 -0.001 0.000 0.312 212 S C -1.770 172.968 174.600 0.229 0.000 1.094 212 S CA -1.007 57.311 58.200 0.197 0.000 1.081 212 S CB 2.491 65.819 63.200 0.214 0.000 1.007 212 S HN 0.339 8.649 8.310 -0.000 0.000 0.475 213 P HA -0.136 4.284 4.420 -0.000 0.000 0.215 213 P C -1.472 176.068 177.300 0.399 0.000 1.163 213 P CA 1.519 64.810 63.100 0.319 0.000 0.894 213 P CB -0.938 30.958 31.700 0.327 0.000 0.791 214 P HA -0.123 4.297 4.420 -0.000 0.000 0.223 214 P C 0.794 178.165 177.300 0.117 0.000 1.151 214 P CA 1.485 64.684 63.100 0.165 0.000 0.787 214 P CB -0.457 31.248 31.700 0.009 0.000 0.788 215 Y N -0.637 119.831 120.300 0.280 0.000 2.458 215 Y HA 0.425 4.974 4.550 -0.001 0.000 0.256 215 Y C 1.376 177.494 175.900 0.363 0.000 1.159 215 Y CA -0.449 57.826 58.100 0.293 0.000 1.261 215 Y CB -0.162 38.409 38.460 0.185 0.000 1.119 215 Y HN -0.142 8.138 8.280 -0.000 0.000 0.524 216 A N 1.147 124.201 122.820 0.389 0.000 2.328 216 A HA 0.677 4.997 4.320 -0.001 0.000 0.284 216 A C 0.399 177.926 177.584 -0.094 0.000 1.160 216 A CA -0.358 51.746 52.037 0.113 0.000 0.818 216 A CB -0.076 18.803 19.000 -0.203 0.000 1.087 216 A HN 0.291 8.441 8.150 -0.000 0.000 0.504 217 A N 4.558 127.159 122.820 -0.365 0.000 2.498 217 A HA 0.488 4.807 4.320 -0.001 0.000 0.239 217 A C -0.974 176.235 177.584 -0.625 0.000 1.068 217 A CA -0.871 50.601 52.037 -0.941 0.000 0.766 217 A CB -0.120 18.582 19.000 -0.496 0.000 1.003 217 A HN 0.662 8.812 8.150 -0.000 0.000 0.497 218 P HA -0.216 4.204 4.420 -0.000 0.000 0.219 218 P C 1.081 178.253 177.300 -0.213 0.000 1.146 218 P CA 1.537 64.413 63.100 -0.374 0.000 0.808 218 P CB 0.050 31.440 31.700 -0.517 0.000 0.779 219 E N 0.848 120.893 120.200 -0.259 0.000 2.204 219 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 219 E C 2.065 178.560 176.600 -0.174 0.000 0.990 219 E CA 1.002 57.306 56.400 -0.160 0.000 0.821 219 E CB -1.322 28.326 29.700 -0.086 0.000 0.750 219 E HN 0.307 8.667 8.360 -0.000 0.000 0.477 220 L N -0.525 120.550 121.223 -0.247 0.000 2.109 220 L HA -0.037 4.303 4.340 -0.001 0.000 0.207 220 L C 2.573 179.242 176.870 -0.335 0.000 1.086 220 L CA 1.027 55.715 54.840 -0.252 0.000 0.760 220 L CB -0.523 41.324 42.059 -0.353 0.000 0.910 220 L HN -0.039 8.191 8.230 -0.000 0.000 0.437 221 F N -0.017 119.774 119.950 -0.264 0.000 2.293 221 F HA -0.113 4.413 4.527 -0.001 0.000 0.300 221 F C 1.881 177.508 175.800 -0.288 0.000 1.086 221 F CA 0.678 58.535 58.000 -0.240 0.000 1.375 221 F CB -0.219 38.652 39.000 -0.214 0.000 1.045 221 F HN 0.147 8.447 8.300 -0.000 0.000 0.516 222 Q N -0.910 118.804 119.800 -0.144 0.000 2.247 222 Q HA 0.292 4.631 4.340 -0.001 0.000 0.184 222 Q C 1.389 177.116 176.000 -0.456 0.000 1.067 222 Q CA 0.093 55.767 55.803 -0.215 0.000 1.115 222 Q CB 0.164 28.812 28.738 -0.150 0.000 1.147 222 Q HN 0.208 8.478 8.270 -0.000 0.000 0.599 223 G N 0.222 108.794 108.800 -0.380 0.000 3.383 223 G HA2 0.061 4.020 3.960 -0.001 0.000 0.251 223 G HA3 0.061 4.020 3.960 -0.001 0.000 0.251 223 G C -0.225 174.448 174.900 -0.378 0.000 1.203 223 G CA -0.051 44.715 45.100 -0.556 0.000 0.852 223 G HN 0.179 8.469 8.290 -0.000 0.000 0.531 224 K N 1.586 121.862 120.400 -0.206 0.000 2.264 224 K HA 0.223 4.542 4.320 -0.001 0.000 0.277 224 K C 0.150 177.002 176.600 0.420 0.000 1.067 224 K CA -0.454 55.904 56.287 0.118 0.000 0.900 224 K CB 1.469 33.995 32.500 0.044 0.000 1.124 224 K HN 0.048 8.298 8.250 -0.000 0.000 0.469 225 K N 2.879 123.484 120.400 0.342 0.000 2.569 225 K HA -0.126 4.194 4.320 -0.001 0.000 0.280 225 K C -0.462 176.247 176.600 0.182 0.000 0.984 225 K CA 0.953 57.356 56.287 0.193 0.000 1.064 225 K CB 0.035 32.568 32.500 0.056 0.000 0.866 225 K HN 0.460 8.710 8.250 -0.000 0.000 0.492 226 Y N -1.025 119.307 120.300 0.053 0.000 2.588 226 Y HA 0.356 4.905 4.550 -0.001 0.000 0.343 226 Y C -0.867 175.027 175.900 -0.010 0.000 1.065 226 Y CA -1.628 56.488 58.100 0.027 0.000 1.038 226 Y CB 1.110 39.592 38.460 0.036 0.000 1.297 226 Y HN 0.315 8.595 8.280 -0.000 0.000 0.467 227 D N 1.652 122.151 120.400 0.165 0.000 2.317 227 D HA 0.205 4.844 4.640 -0.001 0.000 0.252 227 D C 0.964 177.330 176.300 0.110 0.000 1.174 227 D CA 0.522 54.562 54.000 0.066 0.000 0.866 227 D CB 1.870 42.725 40.800 0.091 0.000 1.127 227 D HN 1.026 9.396 8.370 -0.000 0.000 0.467 228 G N 3.957 112.697 108.800 -0.100 0.000 2.459 228 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.217 228 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.217 228 G C -0.803 173.948 174.900 -0.248 0.000 1.183 228 G CA 0.471 45.512 45.100 -0.098 0.000 0.776 228 G HN 0.418 8.708 8.290 -0.000 0.000 0.552 229 P HA -0.059 4.361 4.420 -0.000 0.000 0.216 229 P C 1.433 178.651 177.300 -0.135 0.000 1.150 229 P CA 1.364 64.084 63.100 -0.632 0.000 0.843 229 P CB 0.014 31.331 31.700 -0.639 0.000 0.787 230 E N -1.056 119.129 120.200 -0.026 0.000 2.204 230 E HA -0.101 4.249 4.350 -0.001 0.000 0.195 230 E C 1.948 178.634 176.600 0.143 0.000 0.990 230 E CA 0.570 57.027 56.400 0.095 0.000 0.821 230 E CB -0.958 28.801 29.700 0.098 0.000 0.750 230 E HN 0.008 8.368 8.360 -0.000 0.000 0.477 231 V N 1.097 121.059 119.914 0.080 0.000 2.427 231 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 231 V C 1.353 177.551 176.094 0.173 0.000 1.051 231 V CA 1.847 64.178 62.300 0.052 0.000 1.048 231 V CB -0.203 31.538 31.823 -0.136 0.000 0.666 231 V HN 0.250 8.440 8.190 -0.000 0.000 0.456 232 D N -0.467 120.048 120.400 0.192 0.000 2.149 232 D HA -0.101 4.538 4.640 -0.001 0.000 0.201 232 D C 2.141 178.614 176.300 0.288 0.000 0.972 232 D CA 1.087 55.238 54.000 0.251 0.000 0.835 232 D CB -0.147 40.871 40.800 0.363 0.000 0.966 232 D HN 0.308 8.678 8.370 -0.000 0.000 0.476 233 V N 0.948 121.065 119.914 0.338 0.000 2.287 233 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 233 V C 2.229 178.604 176.094 0.468 0.000 1.053 233 V CA 1.425 63.986 62.300 0.434 0.000 1.027 233 V CB -0.537 31.508 31.823 0.370 0.000 0.646 233 V HN 0.404 8.594 8.190 -0.000 0.000 0.447 234 W N 1.119 122.550 121.300 0.218 0.000 2.333 234 W HA -0.234 4.425 4.660 -0.001 0.000 0.316 234 W C 2.564 179.157 176.519 0.124 0.000 1.215 234 W CA 2.269 59.714 57.345 0.167 0.000 1.278 234 W CB -0.547 28.973 29.460 0.100 0.000 1.154 234 W HN 0.329 8.509 8.180 -0.000 0.000 0.486 235 S N 1.079 117.004 115.700 0.375 0.000 2.383 235 S HA -0.199 4.270 4.470 -0.001 0.000 0.229 235 S C 1.720 176.384 174.600 0.107 0.000 1.030 235 S CA 1.362 59.739 58.200 0.295 0.000 1.002 235 S CB -0.586 62.772 63.200 0.263 0.000 0.829 235 S HN 0.083 8.393 8.310 -0.000 0.000 0.467 236 L N 1.574 122.802 121.223 0.009 0.000 2.093 236 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 236 L C 2.562 179.116 176.870 -0.528 0.000 1.085 236 L CA 1.644 56.393 54.840 -0.152 0.000 0.755 236 L CB -1.915 40.074 42.059 -0.116 0.000 0.904 236 L HN 0.383 8.613 8.230 -0.000 0.000 0.435 237 G N -1.125 107.213 108.800 -0.769 0.000 2.440 237 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 237 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 237 G C 1.699 176.296 174.900 -0.506 0.000 1.154 237 G CA 1.071 45.713 45.100 -0.764 0.000 0.767 237 G HN 0.281 8.571 8.290 -0.000 0.000 0.552 238 V N 1.192 120.875 119.914 -0.385 0.000 2.295 238 V HA -0.163 3.957 4.120 -0.001 0.000 0.246 238 V C 2.791 178.821 176.094 -0.106 0.000 1.049 238 V CA 1.562 63.693 62.300 -0.281 0.000 1.024 238 V CB -0.452 31.256 31.823 -0.193 0.000 0.648 238 V HN 0.394 8.584 8.190 -0.000 0.000 0.447 239 I N -0.483 120.120 120.570 0.054 0.000 2.151 239 I HA -0.323 3.847 4.170 -0.001 0.000 0.243 239 I C 2.464 178.533 176.117 -0.079 0.000 1.080 239 I CA 1.759 63.130 61.300 0.119 0.000 1.339 239 I CB -0.368 37.735 38.000 0.172 0.000 1.039 239 I HN 0.284 8.494 8.210 -0.000 0.000 0.409 240 L N -0.351 120.660 121.223 -0.355 0.000 2.012 240 L HA -0.313 4.027 4.340 -0.001 0.000 0.210 240 L C 2.732 179.360 176.870 -0.403 0.000 1.073 240 L CA 1.890 56.307 54.840 -0.704 0.000 0.748 240 L CB -0.506 40.920 42.059 -1.055 0.000 0.891 240 L HN 0.248 8.478 8.230 -0.000 0.000 0.431 241 Y N 0.853 120.895 120.300 -0.430 0.000 2.151 241 Y HA -0.347 4.203 4.550 -0.001 0.000 0.284 241 Y C 2.941 178.714 175.900 -0.210 0.000 1.166 241 Y CA 2.555 60.455 58.100 -0.334 0.000 1.163 241 Y CB -0.446 37.772 38.460 -0.402 0.000 0.974 241 Y HN 0.429 8.709 8.280 -0.000 0.000 0.511 242 T N -1.943 112.657 114.554 0.076 0.000 2.951 242 T HA -0.121 4.228 4.350 -0.001 0.000 0.268 242 T C 1.925 176.655 174.700 0.050 0.000 1.073 242 T CA 1.340 63.493 62.100 0.088 0.000 1.134 242 T CB -0.732 68.202 68.868 0.109 0.000 0.884 242 T HN 0.390 8.630 8.240 -0.000 0.000 0.479 243 L N 1.557 122.789 121.223 0.015 0.000 2.093 243 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 243 L C 2.994 179.913 176.870 0.081 0.000 1.085 243 L CA 1.332 56.208 54.840 0.060 0.000 0.755 243 L CB -0.632 41.452 42.059 0.041 0.000 0.904 243 L HN 0.364 8.594 8.230 -0.000 0.000 0.435 244 V N -4.375 115.523 119.914 -0.028 0.000 2.878 244 V HA -0.004 4.115 4.120 -0.001 0.000 0.250 244 V C 2.234 178.309 176.094 -0.033 0.000 1.075 244 V CA 1.285 63.583 62.300 -0.002 0.000 1.096 244 V CB 0.128 31.889 31.823 -0.103 0.000 0.724 244 V HN 0.455 8.645 8.190 -0.000 0.000 0.467 245 S N -0.285 115.346 115.700 -0.114 0.000 2.497 245 S HA 0.412 4.881 4.470 -0.001 0.000 0.221 245 S C 1.875 176.481 174.600 0.009 0.000 1.037 245 S CA 0.925 59.053 58.200 -0.121 0.000 0.920 245 S CB 0.378 63.408 63.200 -0.284 0.000 0.800 245 S HN 1.794 10.104 8.310 -0.000 0.000 0.505 246 G N 0.394 109.258 108.800 0.108 0.000 2.148 246 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.254 246 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.254 246 G C 0.094 175.048 174.900 0.089 0.000 0.981 246 G CA 0.318 45.511 45.100 0.154 0.000 0.670 246 G HN 0.780 9.070 8.290 -0.000 0.000 0.528 247 S N -1.141 114.613 115.700 0.090 0.000 2.632 247 S HA 0.781 5.251 4.470 -0.001 0.000 0.289 247 S C -0.173 174.512 174.600 0.141 0.000 1.115 247 S CA -0.776 57.486 58.200 0.103 0.000 0.889 247 S CB 1.906 65.175 63.200 0.117 0.000 1.116 247 S HN 0.430 8.740 8.310 -0.000 0.000 0.486 248 L N 3.060 124.307 121.223 0.041 0.000 2.307 248 L HA 0.400 4.739 4.340 -0.001 0.000 0.282 248 L C -1.241 175.438 176.870 -0.319 0.000 1.051 248 L CA -1.738 53.034 54.840 -0.113 0.000 0.804 248 L CB 1.187 43.178 42.059 -0.113 0.000 1.197 248 L HN 0.520 8.750 8.230 -0.000 0.000 0.431 249 P HA -0.039 4.381 4.420 -0.000 0.000 0.222 249 P C -0.249 176.446 177.300 -1.008 0.000 1.153 249 P CA 1.003 63.283 63.100 -1.366 0.000 0.798 249 P CB 0.279 30.673 31.700 -2.176 0.000 0.796 250 F N 0.124 119.919 119.950 -0.259 0.000 2.499 250 F HA 0.564 5.091 4.527 -0.001 0.000 0.333 250 F C 0.360 176.109 175.800 -0.084 0.000 1.138 250 F CA -0.754 57.171 58.000 -0.125 0.000 0.945 250 F CB 1.444 40.404 39.000 -0.066 0.000 1.181 250 F HN -0.222 8.078 8.300 -0.000 0.000 0.435 251 D N 0.387 120.847 120.400 0.099 0.000 2.970 251 D HA 0.750 5.390 4.640 -0.001 0.000 0.344 251 D C -0.605 175.725 176.300 0.050 0.000 1.365 251 D CA -0.145 53.897 54.000 0.069 0.000 0.910 251 D CB 2.253 43.082 40.800 0.049 0.000 1.445 251 D HN 0.742 9.112 8.370 -0.000 0.000 0.532 252 G N -0.611 108.214 108.800 0.042 0.000 2.315 252 G HA2 0.146 4.106 3.960 -0.001 0.000 0.294 252 G HA3 0.146 4.106 3.960 -0.001 0.000 0.294 252 G C -0.150 174.769 174.900 0.032 0.000 1.300 252 G CA -0.193 44.925 45.100 0.030 0.000 0.843 252 G HN 0.338 8.628 8.290 -0.000 0.000 0.527 253 Q N -0.452 119.363 119.800 0.025 0.000 2.135 253 Q HA -0.064 4.275 4.340 -0.001 0.000 0.204 253 Q C 0.877 176.895 176.000 0.030 0.000 0.981 253 Q CA 1.959 57.778 55.803 0.026 0.000 0.856 253 Q CB -0.111 28.639 28.738 0.020 0.000 0.902 253 Q HN 0.633 8.903 8.270 -0.000 0.000 0.425 254 N N -2.411 116.306 118.700 0.028 0.000 2.774 254 N HA 0.148 4.888 4.740 -0.001 0.000 0.264 254 N C -0.302 175.228 175.510 0.033 0.000 1.415 254 N CA -0.617 52.452 53.050 0.031 0.000 0.815 254 N CB 0.224 38.725 38.487 0.023 0.000 1.514 254 N HN -0.242 8.138 8.380 -0.000 0.000 0.523 255 L N -0.228 121.021 121.223 0.044 0.000 2.291 255 L HA 0.059 4.398 4.340 -0.001 0.000 0.214 255 L C 2.180 179.060 176.870 0.017 0.000 1.120 255 L CA 1.410 56.284 54.840 0.056 0.000 0.799 255 L CB -1.148 40.965 42.059 0.091 0.000 0.925 255 L HN 0.835 9.065 8.230 -0.000 0.000 0.446 256 K N -0.469 119.934 120.400 0.005 0.000 2.103 256 K HA -0.113 4.207 4.320 -0.001 0.000 0.204 256 K C 1.644 178.216 176.600 -0.046 0.000 1.052 256 K CA 1.127 57.400 56.287 -0.022 0.000 0.945 256 K CB -0.333 32.160 32.500 -0.012 0.000 0.722 256 K HN 0.300 8.550 8.250 -0.000 0.000 0.443 257 E N 1.150 121.334 120.200 -0.026 0.000 2.031 257 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 257 E C 2.075 178.647 176.600 -0.047 0.000 0.994 257 E CA 1.147 57.531 56.400 -0.027 0.000 0.800 257 E CB -0.277 29.421 29.700 -0.003 0.000 0.752 257 E HN 0.204 8.564 8.360 -0.000 0.000 0.447 258 L N 2.059 123.261 121.223 -0.034 0.000 1.990 258 L HA -0.245 4.095 4.340 -0.001 0.000 0.213 258 L C 2.392 179.131 176.870 -0.218 0.000 1.072 258 L CA 1.946 56.758 54.840 -0.047 0.000 0.755 258 L CB -0.810 41.263 42.059 0.022 0.000 0.889 258 L HN 0.009 8.239 8.230 -0.000 0.000 0.432 259 R N -0.607 119.702 120.500 -0.318 0.000 2.112 259 R HA -0.240 4.100 4.340 -0.001 0.000 0.242 259 R C 2.328 178.354 176.300 -0.457 0.000 1.137 259 R CA 1.992 57.713 56.100 -0.632 0.000 0.944 259 R CB -0.535 29.521 30.300 -0.406 0.000 0.857 259 R HN 0.570 8.840 8.270 -0.000 0.000 0.435 260 E N 0.649 120.701 120.200 -0.247 0.000 2.070 260 E HA -0.234 4.115 4.350 -0.001 0.000 0.197 260 E C 2.036 178.543 176.600 -0.155 0.000 1.004 260 E CA 1.531 57.829 56.400 -0.170 0.000 0.805 260 E CB -0.060 29.583 29.700 -0.095 0.000 0.744 260 E HN 0.385 8.745 8.360 -0.000 0.000 0.451 261 R N -0.038 120.394 120.500 -0.113 0.000 2.081 261 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 261 R C 2.586 178.811 176.300 -0.123 0.000 1.131 261 R CA 1.315 57.410 56.100 -0.009 0.000 0.960 261 R CB -0.475 29.895 30.300 0.117 0.000 0.856 261 R HN 0.107 8.377 8.270 -0.000 0.000 0.436 262 V N 1.835 121.515 119.914 -0.390 0.000 2.287 262 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 262 V C 2.399 178.194 176.094 -0.500 0.000 1.053 262 V CA 1.690 63.550 62.300 -0.734 0.000 1.027 262 V CB -0.429 30.946 31.823 -0.746 0.000 0.646 262 V HN 0.287 8.477 8.190 -0.000 0.000 0.447 263 L N -0.877 120.108 121.223 -0.397 0.000 2.093 263 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 263 L C 2.753 179.540 176.870 -0.138 0.000 1.085 263 L CA 1.433 56.112 54.840 -0.268 0.000 0.755 263 L CB -0.543 41.370 42.059 -0.243 0.000 0.904 263 L HN 0.220 8.450 8.230 -0.000 0.000 0.435 264 R N 0.031 120.477 120.500 -0.090 0.000 2.096 264 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 264 R C 1.449 177.791 176.300 0.071 0.000 1.127 264 R CA 0.991 57.088 56.100 -0.004 0.000 0.968 264 R CB -0.343 29.968 30.300 0.019 0.000 0.861 264 R HN 0.513 8.783 8.270 -0.000 0.000 0.440 265 G N 0.764 109.629 108.800 0.108 0.000 2.153 265 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.252 265 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.252 265 G C -0.375 174.825 174.900 0.500 0.000 0.994 265 G CA 0.371 45.666 45.100 0.324 0.000 0.698 265 G HN 0.155 8.445 8.290 -0.000 0.000 0.521 266 K N 0.022 120.665 120.400 0.404 0.000 2.159 266 K HA 0.721 5.040 4.320 -0.001 0.000 0.266 266 K C -0.054 176.729 176.600 0.305 0.000 0.975 266 K CA -0.776 55.655 56.287 0.240 0.000 0.865 266 K CB 0.793 33.345 32.500 0.086 0.000 1.087 266 K HN 0.550 8.800 8.250 -0.000 0.000 0.446 267 Y N -1.271 119.016 120.300 -0.021 0.000 2.562 267 Y HA 0.637 5.186 4.550 -0.001 0.000 0.345 267 Y C -0.510 175.311 175.900 -0.133 0.000 1.045 267 Y CA -1.500 56.453 58.100 -0.244 0.000 1.028 267 Y CB 1.258 39.321 38.460 -0.662 0.000 1.297 267 Y HN 0.257 8.537 8.280 -0.000 0.000 0.463 268 R N 1.955 122.436 120.500 -0.032 0.000 2.297 268 R HA 0.550 4.889 4.340 -0.001 0.000 0.308 268 R C -1.192 175.152 176.300 0.074 0.000 1.029 268 R CA -0.413 55.670 56.100 -0.028 0.000 0.929 268 R CB 0.966 31.257 30.300 -0.016 0.000 1.046 268 R HN 0.726 8.996 8.270 -0.000 0.000 0.461 269 I N 5.891 126.425 120.570 -0.061 0.000 2.291 269 I HA 0.234 4.403 4.170 -0.001 0.000 0.290 269 I C -1.697 174.295 176.117 -0.208 0.000 1.050 269 I CA -1.947 59.283 61.300 -0.116 0.000 1.245 269 I CB 1.086 39.001 38.000 -0.142 0.000 1.405 269 I HN 0.380 8.590 8.210 -0.000 0.000 0.478 270 P HA 0.028 4.448 4.420 -0.000 0.000 0.272 270 P C 0.517 177.504 177.300 -0.522 0.000 1.223 270 P CA -0.265 62.532 63.100 -0.504 0.000 0.784 270 P CB 0.714 31.837 31.700 -0.961 0.000 0.923 271 F N 2.112 121.818 119.950 -0.407 0.000 2.269 271 F HA -0.193 4.333 4.527 -0.001 0.000 0.301 271 F C 1.902 177.578 175.800 -0.206 0.000 1.082 271 F CA 1.116 58.974 58.000 -0.237 0.000 1.360 271 F CB -0.490 38.442 39.000 -0.114 0.000 1.041 271 F HN 0.347 8.647 8.300 -0.000 0.000 0.512 272 Y N -1.178 119.046 120.300 -0.128 0.000 2.561 272 Y HA 0.114 4.664 4.550 -0.001 0.000 0.291 272 Y C 1.192 176.953 175.900 -0.232 0.000 1.141 272 Y CA -0.368 57.613 58.100 -0.198 0.000 1.303 272 Y CB -1.339 37.033 38.460 -0.146 0.000 1.015 272 Y HN 0.057 8.337 8.280 -0.000 0.000 0.547 273 M N 2.663 122.002 119.600 -0.434 0.000 2.228 273 M HA 0.159 4.639 4.480 -0.001 0.000 0.351 273 M C 0.446 176.633 176.300 -0.190 0.000 1.233 273 M CA -0.030 55.113 55.300 -0.262 0.000 1.129 273 M CB 0.552 32.900 32.600 -0.420 0.000 1.604 273 M HN 0.455 8.745 8.290 -0.000 0.000 0.457 274 S N 3.133 118.793 115.700 -0.067 0.000 2.584 274 S HA 0.108 4.578 4.470 -0.001 0.000 0.270 274 S C 0.848 175.416 174.600 -0.053 0.000 1.346 274 S CA -0.263 57.918 58.200 -0.031 0.000 1.018 274 S CB 0.998 64.257 63.200 0.097 0.000 0.899 274 S HN 0.806 9.116 8.310 -0.000 0.000 0.542 275 T N 1.360 115.891 114.554 -0.038 0.000 2.788 275 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 275 T C 1.146 175.851 174.700 0.008 0.000 1.044 275 T CA 1.660 63.741 62.100 -0.033 0.000 1.139 275 T CB -0.582 68.273 68.868 -0.022 0.000 0.867 275 T HN 0.666 8.906 8.240 -0.000 0.000 0.454 276 D N 0.391 120.840 120.400 0.082 0.000 2.117 276 D HA -0.077 4.563 4.640 -0.001 0.000 0.197 276 D C 2.311 178.655 176.300 0.072 0.000 0.987 276 D CA 0.697 54.795 54.000 0.162 0.000 0.829 276 D CB -0.614 40.374 40.800 0.314 0.000 0.961 276 D HN 0.362 8.732 8.370 -0.000 0.000 0.460 277 C N 1.024 120.279 119.300 -0.076 0.000 2.446 277 C HA -0.075 4.384 4.460 -0.001 0.000 0.277 277 C C 2.570 177.371 174.990 -0.315 0.000 1.275 277 C CA 0.982 59.664 59.018 -0.560 0.000 1.727 277 C CB -0.863 26.526 27.740 -0.584 0.000 2.010 277 C HN 0.348 8.578 8.230 -0.000 0.000 0.486 278 E N 0.575 120.671 120.200 -0.173 0.000 2.049 278 E HA -0.262 4.087 4.350 -0.001 0.000 0.198 278 E C 1.774 178.351 176.600 -0.039 0.000 1.007 278 E CA 2.048 58.390 56.400 -0.097 0.000 0.809 278 E CB -0.398 29.248 29.700 -0.091 0.000 0.749 278 E HN 0.790 9.150 8.360 -0.000 0.000 0.450 279 N N 0.472 119.156 118.700 -0.026 0.000 2.166 279 N HA -0.138 4.602 4.740 -0.001 0.000 0.186 279 N C 2.055 177.573 175.510 0.013 0.000 1.019 279 N CA 0.649 53.703 53.050 0.006 0.000 0.856 279 N CB -0.063 38.437 38.487 0.022 0.000 0.993 279 N HN 0.176 8.556 8.380 -0.000 0.000 0.426 280 L N 1.100 122.321 121.223 -0.003 0.000 2.027 280 L HA -0.128 4.211 4.340 -0.001 0.000 0.206 280 L C 2.010 178.928 176.870 0.080 0.000 1.074 280 L CA 1.154 56.009 54.840 0.025 0.000 0.745 280 L CB -0.245 41.824 42.059 0.016 0.000 0.898 280 L HN 0.261 8.491 8.230 -0.000 0.000 0.433 281 L N -0.047 121.202 121.223 0.043 0.000 2.043 281 L HA -0.308 4.031 4.340 -0.001 0.000 0.212 281 L C 2.583 179.543 176.870 0.150 0.000 1.075 281 L CA 1.591 56.494 54.840 0.104 0.000 0.752 281 L CB -0.443 41.635 42.059 0.032 0.000 0.891 281 L HN 0.251 8.481 8.230 -0.000 0.000 0.432 282 K N -0.062 120.413 120.400 0.126 0.000 2.211 282 K HA -0.190 4.130 4.320 -0.001 0.000 0.204 282 K C 1.954 178.596 176.600 0.071 0.000 1.047 282 K CA 1.167 57.527 56.287 0.122 0.000 0.935 282 K CB -0.047 32.500 32.500 0.078 0.000 0.728 282 K HN 0.354 8.604 8.250 -0.000 0.000 0.452 283 K N -0.505 119.895 120.400 -0.000 0.000 2.305 283 K HA -0.011 4.308 4.320 -0.001 0.000 0.199 283 K C 1.572 178.092 176.600 -0.134 0.000 1.047 283 K CA 0.832 57.058 56.287 -0.102 0.000 0.976 283 K CB 0.085 32.449 32.500 -0.227 0.000 0.765 283 K HN 0.035 8.285 8.250 -0.000 0.000 0.474 284 F N 0.913 120.870 119.950 0.012 0.000 2.188 284 F HA 0.081 4.608 4.527 -0.001 0.000 0.289 284 F C 1.188 176.948 175.800 -0.066 0.000 1.082 284 F CA 0.395 58.388 58.000 -0.012 0.000 1.282 284 F CB -0.013 38.939 39.000 -0.081 0.000 1.060 284 F HN -0.201 8.099 8.300 -0.000 0.000 0.493 285 L N 2.371 123.603 121.223 0.015 0.000 2.480 285 L HA 0.246 4.586 4.340 -0.001 0.000 0.243 285 L C -0.746 176.204 176.870 0.133 0.000 1.315 285 L CA 0.052 54.702 54.840 -0.317 0.000 1.231 285 L CB -0.868 40.844 42.059 -0.579 0.000 1.444 285 L HN 0.066 8.296 8.230 -0.000 0.000 0.409 286 I N 0.400 121.176 120.570 0.342 0.000 2.378 286 I HA 0.135 4.305 4.170 -0.001 0.000 0.291 286 I C 1.071 177.447 176.117 0.432 0.000 0.992 286 I CA -0.649 60.853 61.300 0.337 0.000 1.154 286 I CB 2.411 40.538 38.000 0.211 0.000 1.315 286 I HN 0.357 8.567 8.210 -0.000 0.000 0.448 287 L N 3.959 125.372 121.223 0.316 0.000 2.017 287 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 287 L C 1.214 178.134 176.870 0.083 0.000 1.073 287 L CA 1.430 56.367 54.840 0.162 0.000 0.745 287 L CB -0.351 41.759 42.059 0.085 0.000 0.894 287 L HN 0.664 8.894 8.230 -0.000 0.000 0.432 288 N N 0.261 119.019 118.700 0.095 0.000 2.420 288 N HA 0.040 4.780 4.740 -0.001 0.000 0.262 288 N C -1.795 173.768 175.510 0.088 0.000 1.144 288 N CA -1.273 51.817 53.050 0.066 0.000 0.952 288 N CB 1.329 39.851 38.487 0.058 0.000 1.081 288 N HN -0.130 8.250 8.380 -0.000 0.000 0.480 289 P HA -0.134 4.286 4.420 -0.000 0.000 0.217 289 P C 0.946 178.299 177.300 0.089 0.000 1.150 289 P CA 0.986 64.142 63.100 0.093 0.000 0.832 289 P CB 0.079 31.824 31.700 0.074 0.000 0.787 290 S N 0.017 115.758 115.700 0.069 0.000 2.555 290 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 290 S C 1.397 176.028 174.600 0.052 0.000 0.978 290 S CA 0.457 58.691 58.200 0.057 0.000 0.934 290 S CB -0.942 62.285 63.200 0.045 0.000 0.766 290 S HN 0.355 8.665 8.310 -0.000 0.000 0.533 291 K N 0.708 121.146 120.400 0.062 0.000 2.414 291 K HA 0.255 4.575 4.320 -0.001 0.000 0.204 291 K C -0.114 176.526 176.600 0.066 0.000 1.026 291 K CA -0.667 55.654 56.287 0.056 0.000 1.108 291 K CB 0.297 32.828 32.500 0.052 0.000 0.855 291 K HN 0.151 8.401 8.250 -0.000 0.000 0.517 292 R N 1.490 122.043 120.500 0.088 0.000 2.543 292 R HA 0.158 4.498 4.340 -0.001 0.000 0.277 292 R C 0.543 176.868 176.300 0.042 0.000 1.074 292 R CA -0.038 56.118 56.100 0.093 0.000 1.076 292 R CB 0.684 31.081 30.300 0.161 0.000 0.993 292 R HN 0.235 8.505 8.270 -0.000 0.000 0.459 293 G N 1.739 110.528 108.800 -0.019 0.000 2.559 293 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.235 293 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.235 293 G C -0.075 174.815 174.900 -0.017 0.000 1.266 293 G CA -0.264 44.805 45.100 -0.051 0.000 0.847 293 G HN 0.447 8.737 8.290 -0.000 0.000 0.583 294 T N 1.461 116.019 114.554 0.007 0.000 2.828 294 T HA 0.099 4.449 4.350 -0.001 0.000 0.290 294 T C 1.879 176.606 174.700 0.046 0.000 1.019 294 T CA -0.416 61.713 62.100 0.048 0.000 1.031 294 T CB 1.115 70.012 68.868 0.048 0.000 1.001 294 T HN 0.308 8.548 8.240 -0.000 0.000 0.531 295 L N 0.705 121.993 121.223 0.109 0.000 2.217 295 L HA -0.027 4.312 4.340 -0.001 0.000 0.211 295 L C 2.711 179.629 176.870 0.079 0.000 1.107 295 L CA 1.198 56.104 54.840 0.109 0.000 0.783 295 L CB -0.294 41.861 42.059 0.161 0.000 0.919 295 L HN 0.747 8.977 8.230 -0.000 0.000 0.442 296 E N -0.191 120.057 120.200 0.080 0.000 2.072 296 E HA -0.228 4.121 4.350 -0.001 0.000 0.190 296 E C 2.125 178.752 176.600 0.045 0.000 0.982 296 E CA 0.941 57.380 56.400 0.065 0.000 0.803 296 E CB 0.045 29.785 29.700 0.066 0.000 0.755 296 E HN 0.535 8.895 8.360 -0.000 0.000 0.453 297 Q N 0.459 120.277 119.800 0.030 0.000 2.061 297 Q HA -0.175 4.165 4.340 -0.001 0.000 0.204 297 Q C 2.216 178.220 176.000 0.007 0.000 0.984 297 Q CA 1.361 57.172 55.803 0.013 0.000 0.846 297 Q CB -0.120 28.615 28.738 -0.004 0.000 0.902 297 Q HN 0.286 8.556 8.270 -0.000 0.000 0.421 298 I N -0.052 120.510 120.570 -0.013 0.000 2.394 298 I HA -0.272 3.898 4.170 -0.001 0.000 0.251 298 I C 2.150 178.307 176.117 0.066 0.000 1.136 298 I CA 0.848 62.134 61.300 -0.024 0.000 1.425 298 I CB -0.082 37.838 38.000 -0.134 0.000 1.079 298 I HN 0.314 8.524 8.210 -0.000 0.000 0.425 299 M N -0.006 119.634 119.600 0.068 0.000 2.279 299 M HA -0.212 4.267 4.480 -0.001 0.000 0.264 299 M C 1.731 178.074 176.300 0.071 0.000 1.062 299 M CA 1.696 57.041 55.300 0.076 0.000 1.099 299 M CB -0.197 32.439 32.600 0.061 0.000 1.394 299 M HN 0.090 8.380 8.290 -0.000 0.000 0.426 300 K N -0.344 120.093 120.400 0.061 0.000 2.444 300 K HA 0.043 4.362 4.320 -0.001 0.000 0.193 300 K C -0.031 176.611 176.600 0.069 0.000 1.024 300 K CA -0.051 56.270 56.287 0.057 0.000 1.077 300 K CB -0.161 32.365 32.500 0.043 0.000 0.833 300 K HN 0.251 8.501 8.250 -0.000 0.000 0.517 301 D N 0.837 121.291 120.400 0.090 0.000 2.423 301 D HA -0.006 4.633 4.640 -0.001 0.000 0.238 301 D C 1.034 177.419 176.300 0.143 0.000 1.142 301 D CA 0.133 54.202 54.000 0.115 0.000 0.884 301 D CB 0.878 41.765 40.800 0.145 0.000 1.199 301 D HN -0.060 8.310 8.370 -0.000 0.000 0.438 302 R N 2.136 122.718 120.500 0.138 0.000 2.083 302 R HA -0.165 4.175 4.340 -0.001 0.000 0.237 302 R C 1.832 178.230 176.300 0.163 0.000 1.137 302 R CA 1.501 57.677 56.100 0.127 0.000 0.951 302 R CB -0.365 30.003 30.300 0.113 0.000 0.851 302 R HN 0.688 8.958 8.270 -0.000 0.000 0.434 303 W N 1.200 122.540 121.300 0.066 0.000 2.338 303 W HA -0.190 4.470 4.660 -0.001 0.000 0.304 303 W C 1.927 178.510 176.519 0.106 0.000 1.212 303 W CA 1.332 58.723 57.345 0.076 0.000 1.264 303 W CB 0.023 29.526 29.460 0.071 0.000 1.142 303 W HN -0.020 8.160 8.180 -0.000 0.000 0.512 304 M N 0.138 119.927 119.600 0.314 0.000 2.279 304 M HA -0.153 4.327 4.480 -0.001 0.000 0.264 304 M C 0.851 177.143 176.300 -0.014 0.000 1.062 304 M CA 1.470 56.888 55.300 0.196 0.000 1.099 304 M CB -1.279 31.473 32.600 0.253 0.000 1.394 304 M HN 0.077 8.367 8.290 -0.000 0.000 0.426 305 N N 0.069 118.780 118.700 0.018 0.000 2.187 305 N HA 0.104 4.844 4.740 -0.001 0.000 0.212 305 N C -0.302 175.253 175.510 0.075 0.000 1.152 305 N CA 0.030 53.111 53.050 0.053 0.000 0.872 305 N CB 1.233 39.758 38.487 0.063 0.000 1.025 305 N HN 0.090 8.470 8.380 -0.000 0.000 0.514 306 V N 0.890 120.786 119.914 -0.030 0.000 2.557 306 V HA 0.128 4.247 4.120 -0.001 0.000 0.301 306 V C 1.549 177.617 176.094 -0.044 0.000 1.026 306 V CA 1.038 63.299 62.300 -0.065 0.000 1.137 306 V CB 0.297 32.018 31.823 -0.169 0.000 0.917 306 V HN 0.608 8.798 8.190 -0.000 0.000 0.484 307 G N 3.808 112.550 108.800 -0.097 0.000 2.184 307 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.264 307 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.264 307 G C 0.315 174.959 174.900 -0.426 0.000 0.975 307 G CA 0.354 45.314 45.100 -0.232 0.000 0.642 307 G HN 0.873 9.163 8.290 -0.000 0.000 0.536 308 H N 0.086 119.126 119.070 -0.050 0.000 2.534 308 H HA 0.311 4.867 4.556 -0.001 0.000 0.250 308 H C 1.332 176.649 175.328 -0.018 0.000 1.256 308 H CA 0.122 56.152 56.048 -0.031 0.000 1.000 308 H CB 0.642 30.387 29.762 -0.029 0.000 1.801 308 H HN 0.360 8.640 8.280 -0.000 0.000 0.569 309 E N 0.671 120.888 120.200 0.028 0.000 2.097 309 E HA -0.179 4.171 4.350 -0.001 0.000 0.196 309 E C 1.136 177.756 176.600 0.032 0.000 1.000 309 E CA 1.374 57.788 56.400 0.023 0.000 0.804 309 E CB 0.145 29.842 29.700 -0.004 0.000 0.740 309 E HN 0.419 8.779 8.360 -0.000 0.000 0.454 310 D N -1.029 119.389 120.400 0.029 0.000 2.349 310 D HA 0.030 4.669 4.640 -0.001 0.000 0.214 310 D C -0.559 175.769 176.300 0.047 0.000 1.063 310 D CA 0.230 54.247 54.000 0.028 0.000 0.847 310 D CB 0.368 41.176 40.800 0.013 0.000 0.933 310 D HN 0.114 8.484 8.370 -0.000 0.000 0.513 311 D N -0.007 120.441 120.400 0.081 0.000 2.968 311 D HA 0.002 4.641 4.640 -0.001 0.000 0.301 311 D C -0.797 175.555 176.300 0.086 0.000 1.226 311 D CA -0.516 53.539 54.000 0.091 0.000 0.746 311 D CB 0.009 40.885 40.800 0.126 0.000 1.278 311 D HN -0.061 8.309 8.370 -0.000 0.000 0.544 312 E N 1.225 121.460 120.200 0.059 0.000 2.502 312 E HA 0.029 4.378 4.350 -0.001 0.000 0.261 312 E C -0.316 176.290 176.600 0.011 0.000 0.974 312 E CA -0.514 55.908 56.400 0.037 0.000 0.936 312 E CB 0.582 30.305 29.700 0.038 0.000 0.926 312 E HN 0.428 8.788 8.360 -0.000 0.000 0.459 313 L N 5.160 126.374 121.223 -0.014 0.000 2.513 313 L HA 0.060 4.400 4.340 -0.001 0.000 0.272 313 L C -0.305 176.581 176.870 0.027 0.000 1.187 313 L CA 1.000 55.834 54.840 -0.011 0.000 0.895 313 L CB 0.017 42.064 42.059 -0.020 0.000 1.147 313 L HN 0.527 8.757 8.230 -0.000 0.000 0.483 314 K N 4.544 124.968 120.400 0.041 0.000 2.480 314 K HA 0.745 5.065 4.320 -0.001 0.000 0.258 314 K C -2.824 173.827 176.600 0.086 0.000 0.990 314 K CA -2.087 54.233 56.287 0.055 0.000 0.857 314 K CB 1.027 33.553 32.500 0.042 0.000 1.384 314 K HN 0.209 8.459 8.250 -0.000 0.000 0.446 315 P HA -0.099 4.321 4.420 -0.000 0.000 0.264 315 P C -1.194 176.207 177.300 0.169 0.000 1.183 315 P CA 0.049 63.236 63.100 0.145 0.000 0.763 315 P CB 0.019 31.794 31.700 0.124 0.000 0.807 316 Y N 3.918 124.281 120.300 0.106 0.000 2.712 316 Y HA 0.123 4.673 4.550 -0.001 0.000 0.333 316 Y C -0.174 175.765 175.900 0.065 0.000 1.225 316 Y CA 0.246 58.380 58.100 0.057 0.000 1.499 316 Y CB 0.360 38.861 38.460 0.068 0.000 1.288 316 Y HN 0.083 8.363 8.280 -0.000 0.000 0.575 317 V N 7.253 126.799 119.914 -0.613 0.000 2.347 317 V HA 0.140 4.259 4.120 -0.001 0.000 0.280 317 V C -0.068 175.562 176.094 -0.772 0.000 1.021 317 V CA -1.142 60.888 62.300 -0.449 0.000 0.847 317 V CB 1.146 32.810 31.823 -0.265 0.000 0.990 317 V HN 0.754 8.944 8.190 -0.000 0.000 0.444 318 E N 7.081 127.058 120.200 -0.371 0.000 2.417 318 E HA 0.134 4.484 4.350 -0.001 0.000 0.261 318 E C -1.953 174.553 176.600 -0.157 0.000 1.000 318 E CA -1.232 55.056 56.400 -0.186 0.000 0.919 318 E CB 0.787 30.583 29.700 0.161 0.000 0.955 318 E HN 0.513 8.873 8.360 -0.000 0.000 0.455 319 P HA -0.023 4.397 4.420 -0.000 0.000 0.269 319 P C -0.167 177.101 177.300 -0.053 0.000 1.209 319 P CA 0.050 63.097 63.100 -0.088 0.000 0.776 319 P CB 0.560 32.234 31.700 -0.043 0.000 0.876 320 L N 3.386 124.571 121.223 -0.064 0.000 2.483 320 L HA 0.134 4.473 4.340 -0.001 0.000 0.276 320 L C -1.248 175.553 176.870 -0.115 0.000 1.213 320 L CA -1.471 53.321 54.840 -0.079 0.000 0.843 320 L CB -0.592 41.419 42.059 -0.080 0.000 1.107 320 L HN 0.363 8.593 8.230 -0.000 0.000 0.487 321 P HA 0.055 4.475 4.420 -0.000 0.000 0.269 321 P C -1.057 176.016 177.300 -0.378 0.000 1.209 321 P CA -0.152 62.717 63.100 -0.385 0.000 0.776 321 P CB 0.920 32.131 31.700 -0.816 0.000 0.876 322 D N 1.695 121.958 120.400 -0.229 0.000 2.408 322 D HA 0.161 4.800 4.640 -0.001 0.000 0.261 322 D C -0.454 175.941 176.300 0.160 0.000 1.190 322 D CA -0.487 53.477 54.000 -0.059 0.000 0.910 322 D CB 0.108 40.937 40.800 0.048 0.000 1.097 322 D HN 0.122 8.492 8.370 -0.000 0.000 0.522 323 Y N 1.560 121.875 120.300 0.026 0.000 2.457 323 Y HA 0.289 4.838 4.550 -0.001 0.000 0.263 323 Y C 1.015 176.858 175.900 -0.095 0.000 1.164 323 Y CA 0.050 58.071 58.100 -0.132 0.000 1.274 323 Y CB 0.431 38.787 38.460 -0.174 0.000 1.097 323 Y HN 0.192 8.472 8.280 -0.000 0.000 0.523 324 K N 0.821 121.336 120.400 0.192 0.000 3.239 324 K HA 0.096 4.415 4.320 -0.001 0.000 0.204 324 K C -0.835 175.863 176.600 0.163 0.000 1.126 324 K CA -0.225 56.148 56.287 0.145 0.000 0.948 324 K CB 0.376 32.926 32.500 0.083 0.000 0.818 324 K HN -0.039 8.211 8.250 -0.000 0.000 0.480 325 D N 1.342 121.896 120.400 0.257 0.000 2.371 325 D HA 0.063 4.702 4.640 -0.001 0.000 0.256 325 D C -1.670 174.698 176.300 0.114 0.000 1.193 325 D CA -1.991 52.099 54.000 0.150 0.000 0.881 325 D CB 1.467 42.331 40.800 0.106 0.000 1.143 325 D HN -0.037 8.333 8.370 -0.000 0.000 0.473 326 P HA -0.120 4.300 4.420 -0.000 0.000 0.217 326 P C 1.359 178.683 177.300 0.040 0.000 1.150 326 P CA 0.805 63.937 63.100 0.054 0.000 0.832 326 P CB 0.156 31.877 31.700 0.036 0.000 0.787 327 R N 0.321 120.832 120.500 0.017 0.000 2.070 327 R HA -0.099 4.241 4.340 -0.001 0.000 0.232 327 R C 2.278 178.571 176.300 -0.012 0.000 1.138 327 R CA 1.588 57.687 56.100 -0.001 0.000 0.936 327 R CB -0.379 29.910 30.300 -0.018 0.000 0.839 327 R HN 0.041 8.311 8.270 -0.000 0.000 0.429 328 R N -0.579 119.889 120.500 -0.053 0.000 2.105 328 R HA -0.087 4.252 4.340 -0.001 0.000 0.239 328 R C 2.258 178.567 176.300 0.015 0.000 1.135 328 R CA 2.016 58.053 56.100 -0.105 0.000 0.967 328 R CB -0.330 29.735 30.300 -0.391 0.000 0.861 328 R HN 0.335 8.605 8.270 -0.000 0.000 0.442 329 T N 0.440 115.054 114.554 0.099 0.000 2.821 329 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 329 T C 1.524 176.276 174.700 0.088 0.000 1.046 329 T CA 1.227 63.408 62.100 0.136 0.000 1.139 329 T CB -0.066 68.888 68.868 0.144 0.000 0.871 329 T HN 0.267 8.507 8.240 -0.000 0.000 0.454 330 E N 0.809 121.046 120.200 0.062 0.000 2.031 330 E HA -0.012 4.337 4.350 -0.001 0.000 0.193 330 E C 2.136 178.770 176.600 0.055 0.000 0.994 330 E CA 0.761 57.193 56.400 0.052 0.000 0.800 330 E CB -0.357 29.364 29.700 0.036 0.000 0.752 330 E HN 0.359 8.719 8.360 -0.000 0.000 0.447 331 L N -0.116 121.133 121.223 0.044 0.000 2.013 331 L HA -0.275 4.065 4.340 -0.001 0.000 0.212 331 L C 2.536 179.458 176.870 0.088 0.000 1.073 331 L CA 1.367 56.236 54.840 0.047 0.000 0.753 331 L CB -0.404 41.669 42.059 0.023 0.000 0.890 331 L HN 0.301 8.531 8.230 -0.000 0.000 0.432 332 M N -1.361 118.301 119.600 0.103 0.000 2.175 332 M HA -0.171 4.308 4.480 -0.001 0.000 0.264 332 M C 2.281 178.736 176.300 0.258 0.000 1.063 332 M CA 1.185 56.602 55.300 0.195 0.000 1.119 332 M CB -0.297 32.339 32.600 0.059 0.000 1.377 332 M HN 0.075 8.365 8.290 -0.000 0.000 0.415 333 V N 0.334 120.343 119.914 0.157 0.000 2.343 333 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 333 V C 2.448 178.598 176.094 0.093 0.000 1.051 333 V CA 2.240 64.615 62.300 0.126 0.000 1.036 333 V CB -0.788 31.086 31.823 0.085 0.000 0.654 333 V HN 0.621 8.811 8.190 -0.000 0.000 0.451 334 S N -1.177 114.570 115.700 0.079 0.000 2.522 334 S HA -0.011 4.459 4.470 -0.001 0.000 0.227 334 S C 1.687 176.315 174.600 0.047 0.000 0.986 334 S CA 0.794 59.024 58.200 0.050 0.000 0.929 334 S CB -0.396 62.827 63.200 0.038 0.000 0.769 334 S HN 0.548 8.858 8.310 -0.000 0.000 0.529 335 M N 0.776 120.428 119.600 0.087 0.000 2.595 335 M HA 0.243 4.723 4.480 -0.001 0.000 0.248 335 M C 1.672 177.940 176.300 -0.052 0.000 1.119 335 M CA 0.798 56.130 55.300 0.054 0.000 1.079 335 M CB 0.082 32.782 32.600 0.167 0.000 1.472 335 M HN 0.634 8.924 8.290 -0.000 0.000 0.501 336 G N -0.665 108.122 108.800 -0.021 0.000 2.184 336 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.206 336 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.206 336 G C -0.187 174.652 174.900 -0.102 0.000 0.995 336 G CA -0.652 44.396 45.100 -0.088 0.000 0.651 336 G HN 0.382 8.672 8.290 -0.000 0.000 0.511 337 Y N 1.711 122.020 120.300 0.016 0.000 2.299 337 Y HA 0.508 5.058 4.550 -0.001 0.000 0.335 337 Y C 1.469 177.378 175.900 0.016 0.000 1.287 337 Y CA 0.655 58.766 58.100 0.017 0.000 1.424 337 Y CB 0.776 39.254 38.460 0.029 0.000 1.326 337 Y HN 0.262 8.542 8.280 -0.000 0.000 0.567 338 T N -2.279 112.385 114.554 0.183 0.000 2.945 338 T HA 0.421 4.770 4.350 -0.001 0.000 0.286 338 T C 0.748 175.498 174.700 0.085 0.000 1.025 338 T CA -1.006 61.156 62.100 0.104 0.000 1.039 338 T CB 1.583 70.489 68.868 0.063 0.000 1.068 338 T HN 0.651 8.891 8.240 -0.000 0.000 0.497 339 R N 0.312 120.845 120.500 0.055 0.000 2.120 339 R HA -0.081 4.258 4.340 -0.001 0.000 0.234 339 R C 2.094 178.397 176.300 0.006 0.000 1.123 339 R CA 1.590 57.708 56.100 0.030 0.000 0.975 339 R CB -0.266 30.052 30.300 0.030 0.000 0.866 339 R HN 0.707 8.977 8.270 -0.000 0.000 0.446 340 E N 0.553 120.761 120.200 0.013 0.000 2.077 340 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 340 E C 1.816 178.410 176.600 -0.011 0.000 0.989 340 E CA 1.726 58.127 56.400 0.001 0.000 0.800 340 E CB -0.047 29.659 29.700 0.010 0.000 0.746 340 E HN 0.562 8.922 8.360 -0.000 0.000 0.452 341 E N 0.366 120.570 120.200 0.007 0.000 2.216 341 E HA -0.078 4.271 4.350 -0.001 0.000 0.192 341 E C 1.974 178.547 176.600 -0.044 0.000 0.988 341 E CA 0.549 56.951 56.400 0.003 0.000 0.834 341 E CB -0.244 29.489 29.700 0.055 0.000 0.772 341 E HN 0.235 8.595 8.360 -0.000 0.000 0.479 342 I N 1.557 122.089 120.570 -0.062 0.000 2.226 342 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 342 I C 2.965 178.945 176.117 -0.228 0.000 1.100 342 I CA 1.561 62.762 61.300 -0.165 0.000 1.374 342 I CB -0.318 37.592 38.000 -0.151 0.000 1.057 342 I HN 0.229 8.439 8.210 -0.000 0.000 0.413 343 Q N 0.806 120.515 119.800 -0.153 0.000 2.050 343 Q HA -0.294 4.045 4.340 -0.001 0.000 0.202 343 Q C 1.832 177.730 176.000 -0.170 0.000 0.980 343 Q CA 2.365 58.075 55.803 -0.155 0.000 0.840 343 Q CB -0.079 28.617 28.738 -0.070 0.000 0.898 343 Q HN 0.435 8.705 8.270 -0.000 0.000 0.424 344 D N -0.518 119.813 120.400 -0.115 0.000 2.104 344 D HA -0.128 4.512 4.640 -0.001 0.000 0.194 344 D C 1.897 178.115 176.300 -0.137 0.000 0.994 344 D CA 1.783 55.725 54.000 -0.097 0.000 0.830 344 D CB -0.029 40.740 40.800 -0.053 0.000 0.959 344 D HN 0.186 8.556 8.370 -0.000 0.000 0.452 345 S N -0.535 115.073 115.700 -0.154 0.000 2.370 345 S HA -0.116 4.353 4.470 -0.001 0.000 0.226 345 S C 2.065 176.484 174.600 -0.301 0.000 1.033 345 S CA 0.720 58.814 58.200 -0.177 0.000 1.011 345 S CB -0.268 62.841 63.200 -0.152 0.000 0.852 345 S HN 0.299 8.609 8.310 -0.000 0.000 0.457 346 L N 0.713 121.659 121.223 -0.462 0.000 2.068 346 L HA -0.003 4.336 4.340 -0.001 0.000 0.204 346 L C 2.352 178.701 176.870 -0.868 0.000 1.076 346 L CA 0.722 55.082 54.840 -0.800 0.000 0.753 346 L CB -0.531 40.840 42.059 -1.147 0.000 0.910 346 L HN 0.184 8.414 8.230 -0.000 0.000 0.439 347 V N 0.107 119.676 119.914 -0.576 0.000 2.427 347 V HA -0.162 3.958 4.120 -0.001 0.000 0.248 347 V C 2.382 178.392 176.094 -0.141 0.000 1.051 347 V CA 1.892 64.030 62.300 -0.271 0.000 1.048 347 V CB -0.971 30.804 31.823 -0.081 0.000 0.666 347 V HN 0.565 8.755 8.190 -0.000 0.000 0.456 348 G N -1.181 107.534 108.800 -0.143 0.000 2.848 348 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.208 348 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.208 348 G C 0.613 175.483 174.900 -0.050 0.000 1.152 348 G CA -0.047 45.012 45.100 -0.068 0.000 0.789 348 G HN 0.473 8.763 8.290 -0.000 0.000 0.531 349 Q N -0.590 119.136 119.800 -0.122 0.000 2.423 349 Q HA -0.207 4.133 4.340 -0.001 0.000 0.332 349 Q C 1.323 177.354 176.000 0.051 0.000 1.355 349 Q CA 0.597 56.347 55.803 -0.088 0.000 0.947 349 Q CB -1.240 27.532 28.738 0.058 0.000 1.189 349 Q HN 0.624 8.894 8.270 -0.000 0.000 0.418 350 R N -0.773 119.714 120.500 -0.021 0.000 2.193 350 R HA -0.038 4.301 4.340 -0.001 0.000 0.213 350 R C 0.169 176.593 176.300 0.207 0.000 1.055 350 R CA 0.479 56.627 56.100 0.080 0.000 0.995 350 R CB 0.123 30.435 30.300 0.020 0.000 0.893 350 R HN 0.422 8.692 8.270 -0.000 0.000 0.459 351 Y N 1.413 121.718 120.300 0.008 0.000 3.225 351 Y HA -0.309 4.241 4.550 -0.001 0.000 0.211 351 Y C 0.390 176.328 175.900 0.063 0.000 1.223 351 Y CA 0.334 58.457 58.100 0.039 0.000 1.284 351 Y CB -2.233 36.248 38.460 0.035 0.000 1.367 351 Y HN 0.412 8.692 8.280 -0.000 0.000 0.566 352 N N 0.258 119.036 118.700 0.130 0.000 2.593 352 N HA 0.156 4.895 4.740 -0.001 0.000 0.304 352 N C 1.202 176.793 175.510 0.136 0.000 1.296 352 N CA 0.076 53.204 53.050 0.129 0.000 0.950 352 N CB 0.068 38.609 38.487 0.090 0.000 1.127 352 N HN 0.453 8.833 8.380 -0.000 0.000 0.587 353 E N -0.714 119.577 120.200 0.152 0.000 2.150 353 E HA -0.093 4.256 4.350 -0.001 0.000 0.193 353 E C 1.368 178.062 176.600 0.156 0.000 0.985 353 E CA 1.052 57.568 56.400 0.193 0.000 0.814 353 E CB -0.387 29.434 29.700 0.203 0.000 0.752 353 E HN 0.274 8.634 8.360 -0.000 0.000 0.466 354 V N 1.802 121.774 119.914 0.098 0.000 2.307 354 V HA -0.273 3.847 4.120 -0.001 0.000 0.245 354 V C 2.643 178.653 176.094 -0.140 0.000 1.045 354 V CA 2.136 64.383 62.300 -0.089 0.000 1.024 354 V CB -0.568 31.229 31.823 -0.043 0.000 0.651 354 V HN 0.310 8.500 8.190 -0.000 0.000 0.449 355 M N 0.486 120.033 119.600 -0.088 0.000 2.117 355 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 355 M C 2.131 178.416 176.300 -0.025 0.000 1.065 355 M CA 2.220 57.450 55.300 -0.116 0.000 1.114 355 M CB -0.325 32.156 32.600 -0.198 0.000 1.361 355 M HN 0.295 8.585 8.290 -0.000 0.000 0.408 356 A N -0.215 122.620 122.820 0.025 0.000 1.877 356 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 356 A C 2.114 179.644 177.584 -0.090 0.000 1.186 356 A CA 2.340 54.411 52.037 0.057 0.000 0.620 356 A CB -1.420 17.680 19.000 0.167 0.000 0.822 356 A HN 0.594 8.744 8.150 -0.000 0.000 0.443 357 T N -1.569 112.931 114.554 -0.089 0.000 2.720 357 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 357 T C 1.774 176.409 174.700 -0.109 0.000 1.037 357 T CA 1.801 63.819 62.100 -0.137 0.000 1.144 357 T CB -0.461 68.374 68.868 -0.055 0.000 0.864 357 T HN 0.565 8.805 8.240 -0.000 0.000 0.444 358 Y N 1.604 121.788 120.300 -0.194 0.000 2.145 358 Y HA -0.101 4.449 4.550 -0.001 0.000 0.286 358 Y C 2.057 177.918 175.900 -0.066 0.000 1.145 358 Y CA 1.212 59.233 58.100 -0.132 0.000 1.148 358 Y CB -0.415 37.963 38.460 -0.136 0.000 0.981 358 Y HN 0.124 8.404 8.280 -0.000 0.000 0.507 359 L N -0.605 120.681 121.223 0.104 0.000 2.017 359 L HA -0.254 4.085 4.340 -0.001 0.000 0.208 359 L C 2.397 179.253 176.870 -0.023 0.000 1.073 359 L CA 1.330 56.235 54.840 0.108 0.000 0.745 359 L CB -0.716 41.501 42.059 0.263 0.000 0.894 359 L HN 0.276 8.506 8.230 -0.000 0.000 0.432 360 L N -0.525 120.571 121.223 -0.211 0.000 2.201 360 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 360 L C 2.395 179.191 176.870 -0.123 0.000 1.105 360 L CA 0.850 55.495 54.840 -0.326 0.000 0.775 360 L CB -0.294 41.433 42.059 -0.552 0.000 0.913 360 L HN 0.275 8.505 8.230 -0.000 0.000 0.440 361 L N -0.625 120.517 121.223 -0.136 0.000 2.362 361 L HA -0.067 4.272 4.340 -0.001 0.000 0.219 361 L C 1.971 178.785 176.870 -0.094 0.000 1.134 361 L CA 0.844 55.617 54.840 -0.111 0.000 0.807 361 L CB -0.487 41.482 42.059 -0.150 0.000 0.927 361 L HN 0.274 8.504 8.230 -0.000 0.000 0.447 362 G N -2.160 106.595 108.800 -0.074 0.000 3.434 362 G HA2 0.029 3.988 3.960 -0.001 0.000 0.258 362 G HA3 0.029 3.988 3.960 -0.001 0.000 0.258 362 G C -0.256 174.703 174.900 0.100 0.000 1.128 362 G CA -0.112 44.972 45.100 -0.027 0.000 0.792 362 G HN 0.132 8.422 8.290 -0.000 0.000 0.539 363 Y N 0.000 120.279 120.300 -0.035 0.000 2.660 363 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 363 Y CA 0.000 58.109 58.100 0.016 0.000 1.940 363 Y CB 0.000 38.477 38.460 0.028 0.000 1.050 363 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758