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 2kb0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQTIKCVVVG DGAVGKTCLL ISYTTNKFPS EYVPAVFDNY AVTVMIGGEP DATA SEQUENCE YTLGLFDTAG QEDYDRLRPL SYPQTDVFLV CFSVVSPSSF ENVKEKWVPE DATA SEQUENCE ITHHCPKTPF LLVGTQIDLR DDPSTIEKLA KNKQKPITPE TAEKLARDLK DATA SEQUENCE AVKYVECSAL TQKGLKNVFD EAILAALE 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 1 M HA 0.000 4.463 4.480 -0.028 0.000 0.227 1 M C 0.000 176.324 176.300 0.040 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 Q N 0.056 119.881 119.800 0.043 0.000 2.170 2 Q HA -0.123 4.273 4.340 0.093 0.000 0.203 2 Q C 0.128 176.177 176.000 0.082 0.000 0.976 2 Q CA 1.092 56.935 55.803 0.067 0.000 0.858 2 Q CB 0.341 29.102 28.738 0.038 0.000 0.907 2 Q HN -0.043 8.241 8.270 0.024 0.000 0.433 3 T N -3.281 111.302 114.554 0.047 0.000 2.883 3 T HA 0.316 4.712 4.350 0.077 0.000 0.296 3 T C -1.304 173.399 174.700 0.004 0.000 1.117 3 T CA -1.443 60.683 62.100 0.043 0.000 1.006 3 T CB 1.665 70.549 68.868 0.027 0.000 1.191 3 T HN -0.768 7.469 8.240 0.025 0.018 0.508 4 I N 4.502 125.069 120.570 -0.005 0.000 2.410 4 I HA 0.256 4.386 4.170 -0.066 0.000 0.286 4 I C -1.599 174.485 176.117 -0.056 0.000 1.009 4 I CA -0.201 61.068 61.300 -0.051 0.000 1.111 4 I CB 2.036 39.991 38.000 -0.074 0.000 1.262 4 I HN 0.087 8.309 8.210 0.020 0.000 0.443 5 K N 6.951 127.302 120.400 -0.082 0.000 2.211 5 K HA 0.208 4.492 4.320 -0.059 0.000 0.275 5 K C -1.322 175.189 176.600 -0.148 0.000 1.024 5 K CA -0.254 55.976 56.287 -0.095 0.000 0.887 5 K CB 1.123 33.560 32.500 -0.105 0.000 1.084 5 K HN 0.456 8.652 8.250 -0.090 0.000 0.463 6 C N 3.612 122.837 119.300 -0.124 0.000 2.609 6 C HA 0.433 4.875 4.460 -0.256 -0.135 0.313 6 C C -2.272 172.654 174.990 -0.106 0.000 1.175 6 C CA -1.808 57.111 59.018 -0.164 0.000 1.434 6 C CB 1.810 29.471 27.740 -0.131 0.000 2.005 6 C HN -0.052 8.136 8.230 -0.070 0.000 0.471 7 V N 6.678 126.503 119.914 -0.149 0.000 2.581 7 V HA 0.083 4.269 4.120 0.110 0.000 0.303 7 V C -1.818 174.288 176.094 0.021 0.000 1.041 7 V CA -1.019 61.280 62.300 -0.002 0.000 0.907 7 V CB 2.651 34.466 31.823 -0.014 0.000 0.994 7 V HN -0.245 7.782 8.190 -0.272 0.000 0.442 8 V N 5.391 125.351 119.914 0.076 0.000 2.459 8 V HA 0.293 4.412 4.120 -0.001 0.000 0.295 8 V C -1.766 174.365 176.094 0.061 0.000 1.029 8 V CA -0.986 61.332 62.300 0.030 0.000 0.874 8 V CB 1.205 33.028 31.823 -0.000 0.000 0.985 8 V HN 0.027 8.302 8.190 0.141 0.000 0.438 9 V N 6.564 126.489 119.914 0.019 0.000 3.000 9 V HA 0.461 4.632 4.120 0.085 0.000 0.300 9 V C -2.561 173.488 176.094 -0.075 0.000 1.251 9 V CA -0.762 61.562 62.300 0.041 0.000 0.972 9 V CB 4.174 36.076 31.823 0.133 0.000 1.065 9 V HN -0.233 7.942 8.190 -0.025 0.000 0.431 10 G N 3.352 112.164 108.800 0.021 0.000 2.694 10 G HA2 0.459 4.317 3.960 -0.212 0.000 0.290 10 G HA3 0.459 4.482 3.960 0.012 -0.055 0.290 10 G C -2.392 172.646 174.900 0.231 0.000 1.386 10 G CA -0.811 44.281 45.100 -0.013 0.000 0.872 10 G HN -0.120 8.241 8.290 0.117 0.000 0.475 11 D N -0.587 119.986 120.400 0.289 0.000 2.352 11 D HA -0.040 5.032 4.640 0.721 0.000 0.245 11 D C 0.953 177.408 176.300 0.258 0.000 1.224 11 D CA 0.743 55.046 54.000 0.505 0.000 0.879 11 D CB 0.707 41.826 40.800 0.531 0.000 1.057 11 D HN -0.464 7.991 8.370 0.142 0.000 0.491 12 G N 6.998 115.922 108.800 0.205 0.000 3.773 12 G HA2 -0.478 3.539 3.960 0.094 0.000 0.355 12 G HA3 -0.478 3.548 3.960 0.109 0.000 0.355 12 G C -0.773 174.183 174.900 0.092 0.000 1.323 12 G CA 0.681 45.852 45.100 0.119 0.000 1.103 12 G HN -0.021 8.412 8.290 0.238 0.000 0.716 13 A N 0.162 123.038 122.820 0.093 0.000 1.507 13 A HA -0.297 4.062 4.320 0.064 0.000 0.191 13 A C 1.136 178.743 177.584 0.039 0.000 1.258 13 A CA -0.112 51.962 52.037 0.063 0.000 0.630 13 A CB -0.345 18.686 19.000 0.052 0.000 1.129 13 A HN -0.132 8.081 8.150 0.111 0.003 0.175 14 V N -1.188 118.748 119.914 0.037 0.000 2.427 14 V HA -0.264 3.870 4.120 0.023 0.000 0.248 14 V C 1.486 177.593 176.094 0.022 0.000 1.051 14 V CA 1.775 64.092 62.300 0.028 0.000 1.048 14 V CB -0.392 31.450 31.823 0.032 0.000 0.666 14 V HN 0.382 8.598 8.190 0.043 0.000 0.456 15 G N -3.235 105.580 108.800 0.025 0.000 3.383 15 G HA2 -0.072 3.911 3.960 0.038 0.000 0.251 15 G HA3 -0.072 3.909 3.960 0.034 0.000 0.251 15 G C -0.223 174.690 174.900 0.023 0.000 1.203 15 G CA -0.562 44.556 45.100 0.031 0.000 0.852 15 G HN 0.067 8.360 8.290 0.025 0.012 0.531 16 K N 1.851 122.256 120.400 0.009 0.000 2.057 16 K HA -0.282 4.039 4.320 0.002 0.000 0.207 16 K C 1.076 177.672 176.600 -0.007 0.000 1.049 16 K CA 3.532 59.818 56.287 -0.003 0.000 0.931 16 K CB 0.029 32.522 32.500 -0.012 0.000 0.714 16 K HN -0.390 7.670 8.250 0.008 0.195 0.440 17 T N 1.031 115.573 114.554 -0.020 0.000 2.737 17 T HA -0.185 4.146 4.350 -0.031 0.000 0.265 17 T C 1.714 176.446 174.700 0.052 0.000 1.038 17 T CA 4.194 66.290 62.100 -0.007 0.000 1.144 17 T CB -0.548 68.314 68.868 -0.010 0.000 0.866 17 T HN 0.028 8.253 8.240 -0.026 0.000 0.434 18 C N 1.465 120.803 119.300 0.063 0.000 2.419 18 C HA -0.241 4.271 4.460 0.087 0.000 0.281 18 C C 1.837 176.900 174.990 0.122 0.000 1.336 18 C CA 3.761 62.836 59.018 0.095 0.000 1.770 18 C CB -0.529 27.277 27.740 0.111 0.000 1.929 18 C HN 0.066 8.326 8.230 0.050 0.000 0.509 19 L N 1.367 122.646 121.223 0.094 0.000 2.056 19 L HA -0.179 4.241 4.340 0.132 0.000 0.207 19 L C 1.384 178.323 176.870 0.116 0.000 1.078 19 L CA 3.254 58.154 54.840 0.099 0.000 0.749 19 L CB -0.020 42.066 42.059 0.045 0.000 0.901 19 L HN -0.281 7.864 8.230 0.065 0.124 0.433 20 L N -1.201 120.074 121.223 0.087 0.000 2.044 20 L HA -0.312 4.085 4.340 0.095 0.000 0.205 20 L C 1.863 178.814 176.870 0.135 0.000 1.075 20 L CA 3.009 57.910 54.840 0.101 0.000 0.747 20 L CB -0.121 41.982 42.059 0.073 0.000 0.903 20 L HN -0.777 7.411 8.230 0.064 0.081 0.435 21 I N -1.788 118.842 120.570 0.100 0.000 2.226 21 I HA -0.339 3.841 4.170 0.017 0.000 0.245 21 I C 2.299 178.451 176.117 0.059 0.000 1.100 21 I CA 1.321 62.653 61.300 0.054 0.000 1.374 21 I CB -1.540 36.483 38.000 0.038 0.000 1.057 21 I HN 0.287 8.553 8.210 0.094 0.000 0.413 22 S N 0.138 115.904 115.700 0.110 0.000 2.400 22 S HA -0.346 4.160 4.470 0.006 -0.033 0.232 22 S C 1.920 176.614 174.600 0.156 0.000 1.025 22 S CA 3.247 61.529 58.200 0.138 0.000 0.993 22 S CB -0.439 62.975 63.200 0.357 0.000 0.808 22 S HN 0.135 8.416 8.310 0.132 0.109 0.478 23 Y N 1.822 122.166 120.300 0.072 0.000 2.263 23 Y HA -0.263 4.338 4.550 0.085 0.000 0.292 23 Y C 1.069 176.988 175.900 0.032 0.000 1.130 23 Y CA 3.110 61.251 58.100 0.067 0.000 1.179 23 Y CB 0.192 38.695 38.460 0.071 0.000 0.998 23 Y HN -0.808 7.527 8.280 0.293 0.121 0.532 24 T N -6.069 108.545 114.554 0.100 0.000 2.867 24 T HA -0.209 4.149 4.350 0.014 0.000 0.268 24 T C 1.143 175.776 174.700 -0.111 0.000 1.057 24 T CA 2.034 64.123 62.100 -0.019 0.000 1.136 24 T CB 0.094 68.917 68.868 -0.074 0.000 0.874 24 T HN -0.495 7.758 8.240 0.171 0.090 0.466 25 T N -4.175 110.316 114.554 -0.105 0.000 3.664 25 T HA 0.003 4.277 4.350 -0.126 0.000 0.301 25 T C -1.182 173.447 174.700 -0.119 0.000 0.877 25 T CA -0.129 61.901 62.100 -0.117 0.000 0.864 25 T CB 1.345 70.146 68.868 -0.110 0.000 1.209 25 T HN -0.299 7.881 8.240 -0.070 0.018 0.764 26 N N 0.510 119.145 118.700 -0.108 0.000 4.184 26 N HA -0.324 4.460 4.740 -0.073 -0.088 0.303 26 N C -1.685 173.600 175.510 -0.375 0.000 2.210 26 N CA 1.153 54.088 53.050 -0.192 0.000 2.758 26 N CB 0.505 38.889 38.487 -0.172 0.000 0.359 26 N HN -0.360 7.873 8.380 -0.068 0.107 0.564 27 K N 4.996 125.061 120.400 -0.559 0.000 3.310 27 K HA 0.038 4.018 4.320 -0.567 0.000 0.179 27 K C -1.058 175.337 176.600 -0.341 0.000 1.298 27 K CA 0.295 56.299 56.287 -0.471 0.000 0.711 27 K CB 0.111 32.498 32.500 -0.189 0.000 1.083 27 K HN 0.119 8.037 8.250 -0.553 0.000 0.493 28 F N -0.951 119.008 119.950 0.016 0.000 2.134 28 F HA -0.068 4.471 4.527 0.021 0.000 0.299 28 F C -0.802 175.011 175.800 0.021 0.000 1.097 28 F CA 1.743 59.754 58.000 0.018 0.000 1.264 28 F CB -3.100 35.907 39.000 0.012 0.000 1.001 28 F HN 0.174 6.994 8.300 -2.467 0.000 0.479 29 P HA -0.197 4.283 4.420 0.101 0.000 0.218 29 P C -0.640 176.685 177.300 0.042 0.000 1.148 29 P CA 1.367 64.504 63.100 0.062 0.000 0.822 29 P CB -0.414 31.296 31.700 0.016 0.000 0.784 30 S N -6.616 109.091 115.700 0.012 0.000 3.405 30 S HA -0.387 4.097 4.470 0.023 0.000 0.378 30 S C 0.079 174.710 174.600 0.052 0.000 1.012 30 S CA 0.480 58.699 58.200 0.032 0.000 1.144 30 S CB -0.524 62.705 63.200 0.048 0.000 0.903 30 S HN -0.604 7.564 8.310 -0.037 0.120 0.470 31 E N -3.197 117.038 120.200 0.057 0.000 2.197 31 E HA -0.344 4.047 4.350 0.068 0.000 0.205 31 E C 0.093 176.776 176.600 0.139 0.000 1.029 31 E CA 2.096 58.546 56.400 0.083 0.000 0.828 31 E CB 0.111 29.856 29.700 0.076 0.000 0.737 31 E HN 0.063 8.420 8.360 0.035 0.024 0.464 32 Y N -1.416 118.890 120.300 0.010 0.000 2.338 32 Y HA 0.013 4.575 4.550 0.020 0.000 0.333 32 Y C -1.282 174.632 175.900 0.024 0.000 0.968 32 Y CA -0.755 57.353 58.100 0.013 0.000 1.123 32 Y CB 1.229 39.688 38.460 -0.002 0.000 1.165 32 Y HN -0.705 7.666 8.280 0.182 0.018 0.452 33 V N 4.021 123.622 119.914 -0.521 0.000 2.644 33 V HA 0.427 4.513 4.120 -0.057 0.000 0.295 33 V C -1.659 174.176 176.094 -0.433 0.000 1.053 33 V CA -4.530 57.611 62.300 -0.266 0.000 0.987 33 V CB -0.589 31.185 31.823 -0.082 0.000 1.006 33 V HN 0.063 7.838 8.190 -0.690 0.000 0.472 34 P HA 0.132 4.529 4.420 -0.039 0.000 0.274 34 P C -1.428 175.561 177.300 -0.519 0.000 1.231 34 P CA -0.427 62.528 63.100 -0.241 0.000 0.790 34 P CB 1.053 32.642 31.700 -0.185 0.000 0.951 35 A N 3.057 125.674 122.820 -0.339 0.000 2.213 35 A HA -0.174 3.967 4.320 -0.299 0.000 0.192 35 A C -0.379 176.850 177.584 -0.591 0.000 1.296 35 A CA 1.079 52.910 52.037 -0.343 0.000 0.703 35 A CB -0.765 18.148 19.000 -0.146 0.000 0.941 35 A HN 0.002 8.053 8.150 -0.165 0.000 0.517 36 V N -5.011 114.694 119.914 -0.349 0.000 2.763 36 V HA -0.098 3.909 4.120 -0.190 0.000 0.306 36 V C -0.708 175.129 176.094 -0.428 0.000 1.059 36 V CA 0.074 62.206 62.300 -0.281 0.000 1.138 36 V CB -0.167 31.583 31.823 -0.121 0.000 0.940 36 V HN -0.536 7.523 8.190 -0.217 0.000 0.489 37 F N 3.577 123.508 119.950 -0.031 0.000 2.415 37 F HA 0.177 4.717 4.527 0.022 0.000 0.348 37 F C -0.164 175.579 175.800 -0.095 0.000 1.119 37 F CA -0.371 57.612 58.000 -0.027 0.000 1.069 37 F CB 0.883 39.863 39.000 -0.032 0.000 1.124 37 F HN 0.041 8.436 8.300 0.159 0.000 0.472 38 D N 3.657 124.059 120.400 0.004 0.000 2.326 38 D HA 0.183 4.717 4.640 -0.175 0.000 0.248 38 D C -1.329 174.693 176.300 -0.464 0.000 1.001 38 D CA -1.445 52.409 54.000 -0.243 0.000 0.961 38 D CB 2.084 42.684 40.800 -0.334 0.000 1.183 38 D HN 0.099 8.517 8.370 0.080 0.000 0.502 39 N N -0.818 117.593 118.700 -0.481 0.000 2.508 39 N HA 0.180 4.761 4.740 -0.264 0.000 0.285 39 N C -0.781 174.345 175.510 -0.641 0.000 1.144 39 N CA -0.290 52.516 53.050 -0.406 0.000 0.978 39 N CB 0.931 39.292 38.487 -0.211 0.000 1.180 39 N HN 0.029 8.188 8.380 -0.369 0.000 0.484 40 Y N 0.173 120.490 120.300 0.029 0.000 2.425 40 Y HA 0.126 4.700 4.550 0.041 0.000 0.344 40 Y C -1.196 174.738 175.900 0.057 0.000 0.969 40 Y CA -0.712 57.416 58.100 0.046 0.000 1.052 40 Y CB 2.809 41.305 38.460 0.059 0.000 1.215 40 Y HN 0.301 8.639 8.280 0.097 0.000 0.451 41 A N 2.575 125.510 122.820 0.192 0.000 2.304 41 A HA 0.595 5.097 4.320 0.133 -0.102 0.323 41 A C -1.425 176.247 177.584 0.146 0.000 1.195 41 A CA -0.908 51.212 52.037 0.139 0.000 0.826 41 A CB 1.562 20.618 19.000 0.093 0.000 1.184 41 A HN 0.214 8.479 8.150 0.191 0.000 0.496 42 V N -1.387 118.613 119.914 0.143 0.000 2.962 42 V HA 0.528 4.720 4.120 0.121 0.000 0.313 42 V C -1.521 174.649 176.094 0.128 0.000 1.099 42 V CA -1.547 60.838 62.300 0.142 0.000 0.971 42 V CB 3.309 35.245 31.823 0.188 0.000 1.028 42 V HN -0.030 8.243 8.190 0.137 0.000 0.430 43 T N -1.232 113.390 114.554 0.113 0.000 2.908 43 T HA 0.566 5.100 4.350 0.119 -0.112 0.290 43 T C -0.618 174.155 174.700 0.123 0.000 1.034 43 T CA -1.580 60.584 62.100 0.108 0.000 1.010 43 T CB 1.968 70.879 68.868 0.071 0.000 1.068 43 T HN -0.066 8.236 8.240 0.102 0.000 0.481 44 V N 3.549 123.549 119.914 0.143 0.000 2.604 44 V HA 0.449 4.666 4.120 0.162 0.000 0.305 44 V C -0.757 175.420 176.094 0.138 0.000 1.043 44 V CA -1.059 61.342 62.300 0.167 0.000 0.888 44 V CB 2.770 34.718 31.823 0.208 0.000 0.995 44 V HN 0.182 8.464 8.190 0.152 0.000 0.429 45 M N 3.768 123.438 119.600 0.117 0.000 2.185 45 M HA 0.221 4.716 4.480 0.026 0.000 0.357 45 M C -0.952 175.418 176.300 0.118 0.000 1.260 45 M CA 0.282 55.627 55.300 0.074 0.000 1.124 45 M CB 0.678 33.307 32.600 0.048 0.000 1.600 45 M HN 0.244 8.611 8.290 0.127 0.000 0.467 46 I N 1.236 121.872 120.570 0.110 0.000 2.534 46 I HA 0.120 4.375 4.170 0.142 0.000 0.288 46 I C 0.721 176.903 176.117 0.109 0.000 1.077 46 I CA -0.544 60.846 61.300 0.151 0.000 1.051 46 I CB 2.785 40.935 38.000 0.251 0.000 1.234 46 I HN 0.306 8.545 8.210 0.049 0.000 0.425 47 G N 8.050 116.901 108.800 0.086 0.000 2.320 47 G HA2 -0.436 3.555 3.960 0.051 0.000 0.291 47 G HA3 -0.436 3.565 3.960 0.068 0.000 0.291 47 G C 0.355 175.277 174.900 0.037 0.000 0.994 47 G CA 0.919 46.056 45.100 0.061 0.000 0.760 47 G HN 0.782 9.126 8.290 0.090 0.000 0.514 48 G N -3.413 105.400 108.800 0.022 0.000 2.131 48 G HA2 -0.287 3.664 3.960 -0.014 0.000 0.223 48 G HA3 -0.287 3.668 3.960 -0.007 0.000 0.223 48 G C -0.680 174.185 174.900 -0.059 0.000 0.990 48 G CA -0.251 44.842 45.100 -0.012 0.000 0.671 48 G HN -0.083 8.151 8.290 0.035 0.077 0.521 49 E N 0.368 120.517 120.200 -0.086 0.000 2.683 49 E HA 0.270 4.456 4.350 -0.274 0.000 0.224 49 E C -2.669 173.555 176.600 -0.626 0.000 1.046 49 E CA -3.050 53.172 56.400 -0.297 0.000 0.811 49 E CB 1.149 30.751 29.700 -0.162 0.000 1.296 49 E HN 0.567 8.719 8.360 -0.017 0.198 0.421 50 P HA -0.053 4.488 4.420 -0.158 -0.216 0.263 50 P C -1.205 175.779 177.300 -0.527 0.000 1.195 50 P CA 0.037 62.943 63.100 -0.323 0.000 0.762 50 P CB 0.294 31.899 31.700 -0.159 0.000 0.799 51 Y N 3.994 124.304 120.300 0.017 0.000 2.393 51 Y HA 0.181 4.735 4.550 0.006 0.000 0.341 51 Y C 0.262 176.172 175.900 0.016 0.000 0.988 51 Y CA -1.076 57.029 58.100 0.008 0.000 1.078 51 Y CB 2.769 41.226 38.460 -0.004 0.000 1.203 51 Y HN 0.017 8.338 8.280 0.068 0.000 0.453 52 T N 0.644 115.292 114.554 0.156 0.000 2.897 52 T HA 0.020 4.427 4.350 0.094 0.000 0.294 52 T C -1.577 173.181 174.700 0.097 0.000 1.004 52 T CA -0.290 61.872 62.100 0.102 0.000 1.106 52 T CB 0.677 69.588 68.868 0.072 0.000 0.949 52 T HN 0.654 8.990 8.240 0.160 0.000 0.520 53 L N 4.505 125.779 121.223 0.085 0.000 2.349 53 L HA 0.501 4.864 4.340 0.037 0.000 0.278 53 L C -1.631 175.275 176.870 0.061 0.000 0.996 53 L CA -0.659 54.216 54.840 0.060 0.000 0.825 53 L CB 3.772 45.868 42.059 0.062 0.000 1.243 53 L HN 0.463 8.653 8.230 0.093 0.096 0.412 54 G N 4.965 113.791 108.800 0.042 0.000 2.335 54 G HA2 0.575 4.582 3.960 0.077 0.000 0.314 54 G HA3 0.575 4.570 3.960 0.057 0.000 0.314 54 G C -2.105 172.835 174.900 0.065 0.000 1.129 54 G CA -1.099 44.038 45.100 0.061 0.000 0.912 54 G HN -0.119 8.184 8.290 0.021 0.000 0.443 55 L N 4.550 125.826 121.223 0.089 0.000 2.296 55 L HA 0.411 4.786 4.340 0.059 0.000 0.286 55 L C -0.917 176.033 176.870 0.133 0.000 1.023 55 L CA -0.945 53.946 54.840 0.084 0.000 0.812 55 L CB 1.292 43.392 42.059 0.069 0.000 1.223 55 L HN -0.370 7.920 8.230 0.100 0.000 0.421 56 F N 6.262 126.208 119.950 -0.008 0.000 2.458 56 F HA 0.224 4.755 4.527 0.006 0.000 0.336 56 F C -2.484 173.325 175.800 0.014 0.000 1.114 56 F CA -1.076 56.925 58.000 0.003 0.000 0.987 56 F CB 3.431 42.429 39.000 -0.003 0.000 1.130 56 F HN -0.171 8.252 8.300 0.205 0.000 0.458 57 D N 6.973 127.039 120.400 -0.556 0.000 2.819 57 D HA 0.382 4.987 4.640 -0.058 0.000 0.232 57 D C -0.295 175.773 176.300 -0.387 0.000 1.160 57 D CA -1.497 52.341 54.000 -0.271 0.000 0.858 57 D CB 3.160 43.863 40.800 -0.162 0.000 1.610 57 D HN -0.071 7.681 8.370 -1.030 0.000 0.481 58 T N 4.194 118.675 114.554 -0.122 0.000 2.901 58 T HA 0.067 4.381 4.350 -0.060 0.000 0.301 58 T C -0.224 174.398 174.700 -0.130 0.000 1.012 58 T CA 0.988 63.051 62.100 -0.061 0.000 1.135 58 T CB 0.366 69.278 68.868 0.072 0.000 0.936 58 T HN 0.347 8.580 8.240 -0.012 0.000 0.539 59 A N 5.385 128.144 122.820 -0.102 0.000 3.214 59 A HA 0.381 4.587 4.320 -0.190 0.000 0.304 59 A C -0.476 177.108 177.584 0.000 0.000 0.969 59 A CA -0.480 51.510 52.037 -0.078 0.000 0.986 59 A CB 0.416 19.420 19.000 0.007 0.000 1.073 59 A HN 0.268 8.374 8.150 -0.073 0.000 0.487 60 G N -0.562 108.240 108.800 0.002 0.000 2.609 60 G HA2 -0.529 3.462 3.960 0.050 0.000 0.288 60 G HA3 -0.529 3.475 3.960 0.072 0.000 0.288 60 G C 0.282 175.233 174.900 0.084 0.000 1.211 60 G CA 0.612 45.744 45.100 0.053 0.000 0.963 60 G HN -0.305 7.970 8.290 -0.024 0.000 0.541 61 Q N 0.892 120.756 119.800 0.107 0.000 2.443 61 Q HA -0.519 4.013 4.340 0.320 0.000 0.435 61 Q C 1.095 177.285 176.000 0.317 0.000 0.558 61 Q CA 1.774 57.694 55.803 0.195 0.000 0.996 61 Q CB -1.015 27.699 28.738 -0.040 0.000 2.052 61 Q HN 0.215 8.543 8.270 0.097 0.000 0.995 62 E N -1.986 118.355 120.200 0.235 0.000 4.312 62 E HA -0.499 3.937 4.350 0.142 0.000 0.192 62 E C 1.386 178.090 176.600 0.174 0.000 1.286 62 E CA 2.548 59.049 56.400 0.170 0.000 2.287 62 E CB -1.126 28.640 29.700 0.109 0.000 1.864 62 E HN 0.248 8.719 8.360 0.185 0.000 0.348 63 D N 0.031 120.521 120.400 0.150 0.000 2.357 63 D HA -0.228 4.403 4.640 -0.014 0.000 0.216 63 D C 0.743 176.994 176.300 -0.083 0.000 0.973 63 D CA 2.580 56.576 54.000 -0.006 0.000 0.912 63 D CB -0.448 40.293 40.800 -0.099 0.000 0.900 63 D HN 0.514 8.938 8.370 0.174 0.051 0.501 64 Y N -3.309 117.006 120.300 0.024 0.000 2.477 64 Y HA -0.060 4.502 4.550 0.021 0.000 0.303 64 Y C -0.426 175.488 175.900 0.024 0.000 1.202 64 Y CA -0.479 57.637 58.100 0.026 0.000 1.282 64 Y CB -0.558 37.924 38.460 0.037 0.000 1.071 64 Y HN -0.810 7.693 8.280 0.515 0.086 0.510 65 D N -0.898 119.578 120.400 0.127 0.000 2.686 65 D HA -0.380 4.291 4.640 0.052 0.000 0.235 65 D C 0.127 176.485 176.300 0.097 0.000 1.160 65 D CA 1.015 55.060 54.000 0.076 0.000 0.645 65 D CB -0.974 39.849 40.800 0.039 0.000 1.039 65 D HN 0.232 8.469 8.370 0.105 0.196 0.423 66 R N -0.429 120.147 120.500 0.128 0.000 2.139 66 R HA -0.337 4.074 4.340 0.118 0.000 0.243 66 R C 0.208 176.552 176.300 0.074 0.000 1.145 66 R CA 1.557 57.726 56.100 0.116 0.000 0.976 66 R CB 0.180 30.566 30.300 0.144 0.000 0.866 66 R HN -0.161 8.200 8.270 0.151 0.000 0.449 67 L N -2.577 118.679 121.223 0.055 0.000 3.546 67 L HA -0.208 4.132 4.340 -0.000 0.000 0.668 67 L C -0.053 176.832 176.870 0.026 0.000 1.139 67 L CA 0.352 55.204 54.840 0.021 0.000 1.122 67 L CB -0.502 41.565 42.059 0.013 0.000 1.545 67 L HN 0.057 8.305 8.230 0.060 0.018 0.851 68 R N 2.485 123.013 120.500 0.046 0.000 2.096 68 R HA -0.277 4.073 4.340 0.017 0.000 0.240 68 R C -0.943 175.385 176.300 0.046 0.000 1.139 68 R CA 4.491 60.626 56.100 0.058 0.000 0.952 68 R CB -1.153 29.239 30.300 0.154 0.000 0.854 68 R HN 0.341 8.645 8.270 0.056 0.000 0.436 69 P HA -0.153 4.297 4.420 0.049 0.000 0.218 69 P C -0.280 177.033 177.300 0.022 0.000 1.146 69 P CA 1.620 64.721 63.100 0.002 0.000 0.813 69 P CB -0.119 31.530 31.700 -0.086 0.000 0.778 70 L N -5.731 115.503 121.223 0.018 0.000 3.905 70 L HA -0.414 3.944 4.340 0.030 0.000 0.437 70 L C 0.172 177.080 176.870 0.063 0.000 1.152 70 L CA 0.601 55.465 54.840 0.039 0.000 0.935 70 L CB -1.629 40.459 42.059 0.047 0.000 1.841 70 L HN -0.458 7.637 8.230 0.007 0.139 0.998 71 S N -3.791 111.914 115.700 0.009 0.000 3.002 71 S HA -0.442 3.965 4.470 -0.106 0.000 0.289 71 S C -1.239 173.305 174.600 -0.093 0.000 1.309 71 S CA 1.886 60.062 58.200 -0.040 0.000 1.195 71 S CB -0.085 63.135 63.200 0.034 0.000 1.433 71 S HN 0.019 8.287 8.310 -0.016 0.032 0.711 72 Y N -1.464 118.850 120.300 0.024 0.000 2.378 72 Y HA 0.092 4.668 4.550 0.044 0.000 0.309 72 Y C -2.474 173.451 175.900 0.041 0.000 1.161 72 Y CA -1.572 56.548 58.100 0.033 0.000 1.533 72 Y CB 0.463 38.935 38.460 0.020 0.000 1.208 72 Y HN -0.020 8.086 8.280 0.098 0.233 0.458 73 P HA 0.041 4.539 4.420 0.130 0.000 0.265 73 P C -0.605 176.784 177.300 0.148 0.000 1.193 73 P CA -0.111 63.100 63.100 0.184 0.000 0.765 73 P CB 0.711 32.591 31.700 0.300 0.000 0.823 74 Q N 2.454 122.285 119.800 0.052 0.000 2.319 74 Q HA 0.108 4.468 4.340 0.033 0.000 0.202 74 Q C -0.758 175.203 176.000 -0.065 0.000 0.896 74 Q CA 0.127 55.932 55.803 0.002 0.000 0.942 74 Q CB 0.456 29.177 28.738 -0.029 0.000 1.083 74 Q HN 0.389 8.670 8.270 0.018 0.000 0.510 75 T N 1.058 115.543 114.554 -0.114 0.000 2.851 75 T HA 0.021 4.202 4.350 -0.283 0.000 0.298 75 T C -0.766 173.729 174.700 -0.342 0.000 0.977 75 T CA 0.907 62.806 62.100 -0.335 0.000 1.126 75 T CB 0.303 68.775 68.868 -0.659 0.000 0.916 75 T HN -0.513 7.631 8.240 -0.036 0.075 0.529 76 D N 5.648 125.865 120.400 -0.305 0.000 2.389 76 D HA 0.135 4.713 4.640 -0.104 0.000 0.206 76 D C -0.846 175.292 176.300 -0.270 0.000 1.055 76 D CA -0.078 53.803 54.000 -0.199 0.000 0.856 76 D CB 1.108 41.830 40.800 -0.130 0.000 0.957 76 D HN -0.080 8.117 8.370 -0.289 0.000 0.509 77 V N -0.684 118.962 119.914 -0.446 0.000 2.686 77 V HA 0.161 4.130 4.120 -0.251 0.000 0.306 77 V C -2.077 173.674 176.094 -0.572 0.000 1.065 77 V CA -0.843 61.236 62.300 -0.369 0.000 0.894 77 V CB 1.726 33.405 31.823 -0.240 0.000 1.004 77 V HN -0.920 6.906 8.190 -0.531 0.045 0.424 78 F N 5.064 124.886 119.950 -0.213 0.000 2.444 78 F HA 0.327 4.810 4.527 -0.075 0.000 0.342 78 F C -1.116 174.645 175.800 -0.064 0.000 1.121 78 F CA -1.067 56.864 58.000 -0.116 0.000 0.997 78 F CB 2.402 41.352 39.000 -0.083 0.000 1.130 78 F HN -0.375 7.888 8.300 -0.062 0.000 0.454 79 L N 1.563 122.831 121.223 0.075 0.000 2.334 79 L HA 0.356 4.715 4.340 0.032 0.000 0.273 79 L C -1.206 175.653 176.870 -0.019 0.000 1.013 79 L CA -1.153 53.698 54.840 0.018 0.000 0.816 79 L CB 2.257 44.294 42.059 -0.036 0.000 1.278 79 L HN -0.275 7.985 8.230 0.051 0.000 0.431 80 V N -4.462 115.425 119.914 -0.044 0.000 2.823 80 V HA 1.021 5.208 4.120 -0.251 -0.218 0.312 80 V C -1.298 174.763 176.094 -0.056 0.000 1.072 80 V CA -2.643 59.567 62.300 -0.150 0.000 0.937 80 V CB 2.965 34.659 31.823 -0.215 0.000 1.013 80 V HN -0.022 8.165 8.190 -0.005 0.000 0.430 81 C N 3.828 123.088 119.300 -0.067 0.000 2.535 81 C HA 0.608 5.070 4.460 0.004 0.000 0.319 81 C C -2.070 172.967 174.990 0.078 0.000 1.171 81 C CA -1.135 57.880 59.018 -0.005 0.000 1.394 81 C CB 1.909 29.622 27.740 -0.044 0.000 1.990 81 C HN -0.091 8.041 8.230 -0.163 0.000 0.466 82 F N 4.252 124.164 119.950 -0.064 0.000 2.664 82 F HA 0.558 5.076 4.527 -0.016 0.000 0.317 82 F C -3.034 172.771 175.800 0.007 0.000 1.108 82 F CA -1.819 56.162 58.000 -0.032 0.000 0.957 82 F CB 1.717 40.679 39.000 -0.062 0.000 1.365 82 F HN -0.399 7.729 8.300 -0.288 0.000 0.475 83 S N -1.453 114.268 115.700 0.035 0.000 2.549 83 S HA 0.270 4.584 4.470 -0.260 0.000 0.297 83 S C -1.067 173.626 174.600 0.155 0.000 1.115 83 S CA -0.473 57.691 58.200 -0.060 0.000 1.059 83 S CB 2.007 65.227 63.200 0.034 0.000 1.046 83 S HN 0.119 8.587 8.310 0.265 0.000 0.506 84 V N 3.737 123.693 119.914 0.070 0.000 3.483 84 V HA 0.155 4.546 4.120 0.451 0.000 0.301 84 V C -0.400 175.783 176.094 0.148 0.000 1.389 84 V CA -0.370 62.079 62.300 0.249 0.000 1.101 84 V CB 0.250 32.208 31.823 0.225 0.000 0.971 84 V HN 0.322 8.474 8.190 -0.063 0.000 0.434 85 V N -0.643 119.328 119.914 0.094 0.000 3.052 85 V HA -0.143 4.009 4.120 0.053 0.000 0.254 85 V C 0.236 176.375 176.094 0.074 0.000 1.100 85 V CA 1.254 63.592 62.300 0.063 0.000 1.112 85 V CB 0.010 31.855 31.823 0.037 0.000 0.738 85 V HN 0.125 8.297 8.190 0.079 0.066 0.469 86 S N -2.592 113.171 115.700 0.106 0.000 2.549 86 S HA 0.347 4.861 4.470 0.073 0.000 0.297 86 S C -0.875 173.807 174.600 0.137 0.000 1.115 86 S CA -3.206 55.056 58.200 0.102 0.000 1.059 86 S CB 1.874 65.135 63.200 0.101 0.000 1.046 86 S HN -0.500 7.889 8.310 0.131 0.000 0.506 87 P HA -0.013 4.467 4.420 0.099 0.000 0.215 87 P C 0.989 178.386 177.300 0.161 0.000 1.160 87 P CA 2.052 65.215 63.100 0.105 0.000 0.869 87 P CB 0.663 32.388 31.700 0.042 0.000 0.782 88 S N -2.736 113.036 115.700 0.120 0.000 2.383 88 S HA -0.388 4.148 4.470 0.110 0.000 0.229 88 S C 1.863 176.551 174.600 0.145 0.000 1.030 88 S CA 3.165 61.435 58.200 0.115 0.000 1.002 88 S CB -0.541 62.708 63.200 0.082 0.000 0.829 88 S HN 0.284 8.650 8.310 0.093 0.000 0.467 89 S N 0.419 116.219 115.700 0.168 0.000 2.447 89 S HA -0.158 4.407 4.470 0.158 0.000 0.233 89 S C 1.718 176.438 174.600 0.199 0.000 1.006 89 S CA 2.975 61.287 58.200 0.186 0.000 0.957 89 S CB -0.670 62.654 63.200 0.207 0.000 0.773 89 S HN 0.178 8.569 8.310 0.159 0.014 0.507 90 F N 4.475 124.474 119.950 0.082 0.000 2.098 90 F HA -0.286 4.240 4.527 -0.001 0.000 0.294 90 F C 1.448 177.244 175.800 -0.007 0.000 1.107 90 F CA 3.751 61.767 58.000 0.026 0.000 1.234 90 F CB 0.485 39.501 39.000 0.027 0.000 1.002 90 F HN -0.250 8.085 8.300 0.348 0.174 0.472 91 E N -1.557 118.793 120.200 0.250 0.000 2.106 91 E HA -0.457 3.966 4.350 0.122 0.000 0.192 91 E C 2.389 179.006 176.600 0.028 0.000 0.984 91 E CA 3.103 59.579 56.400 0.127 0.000 0.806 91 E CB -0.277 29.505 29.700 0.137 0.000 0.750 91 E HN -0.603 7.950 8.360 0.322 0.000 0.458 92 N N -0.990 117.743 118.700 0.055 0.000 2.192 92 N HA -0.267 4.494 4.740 0.036 0.000 0.188 92 N C 2.111 177.670 175.510 0.082 0.000 1.013 92 N CA 2.990 56.077 53.050 0.062 0.000 0.863 92 N CB -0.416 38.136 38.487 0.108 0.000 0.990 92 N HN -0.011 8.414 8.380 0.092 0.011 0.430 93 V N -0.021 119.899 119.914 0.010 0.000 2.407 93 V HA -0.346 3.934 4.120 0.266 0.000 0.248 93 V C 1.474 177.549 176.094 -0.030 0.000 1.055 93 V CA 4.058 66.354 62.300 -0.007 0.000 1.049 93 V CB -0.486 31.119 31.823 -0.362 0.000 0.662 93 V HN -0.409 7.622 8.190 -0.070 0.116 0.455 94 K N -1.312 119.027 120.400 -0.101 0.000 2.168 94 K HA -0.120 4.151 4.320 -0.081 0.000 0.201 94 K C 1.634 178.212 176.600 -0.037 0.000 1.049 94 K CA 2.481 58.722 56.287 -0.078 0.000 0.974 94 K CB 0.094 32.540 32.500 -0.089 0.000 0.792 94 K HN -0.214 7.839 8.250 -0.132 0.118 0.463 95 E N -2.601 117.584 120.200 -0.026 0.000 2.110 95 E HA -0.206 4.128 4.350 -0.028 0.000 0.193 95 E C 1.501 178.069 176.600 -0.053 0.000 0.988 95 E CA 2.417 58.801 56.400 -0.028 0.000 0.804 95 E CB 0.398 30.090 29.700 -0.014 0.000 0.745 95 E HN 0.099 8.336 8.360 -0.020 0.111 0.458 96 K N -3.129 117.227 120.400 -0.073 0.000 2.312 96 K HA 0.111 4.341 4.320 -0.150 0.000 0.206 96 K C 1.770 178.248 176.600 -0.205 0.000 1.121 96 K CA 1.764 57.944 56.287 -0.179 0.000 0.923 96 K CB 1.356 33.682 32.500 -0.289 0.000 1.162 96 K HN -0.417 7.810 8.250 -0.038 0.000 0.478 97 W N 0.135 121.401 121.300 -0.057 0.000 2.388 97 W HA -0.144 4.494 4.660 -0.037 0.000 0.294 97 W C 2.319 178.768 176.519 -0.118 0.000 1.212 97 W CA 3.591 60.890 57.345 -0.076 0.000 1.271 97 W CB 0.104 29.503 29.460 -0.103 0.000 1.126 97 W HN -0.526 7.672 8.180 0.031 0.000 0.535 98 V N -0.603 119.361 119.914 0.083 0.000 2.255 98 V HA -0.357 3.729 4.120 -0.057 0.000 0.247 98 V C -0.799 175.264 176.094 -0.053 0.000 1.051 98 V CA 5.987 68.270 62.300 -0.028 0.000 1.018 98 V CB -2.765 29.020 31.823 -0.062 0.000 0.641 98 V HN -0.360 7.873 8.190 0.073 0.000 0.445 99 P HA -0.099 4.255 4.420 -0.111 0.000 0.217 99 P C 1.654 178.888 177.300 -0.111 0.000 1.154 99 P CA 2.133 65.177 63.100 -0.094 0.000 0.841 99 P CB -0.174 31.476 31.700 -0.084 0.000 0.788 100 E N 0.034 120.205 120.200 -0.048 0.000 2.160 100 E HA -0.309 4.109 4.350 0.114 0.000 0.195 100 E C 2.475 179.170 176.600 0.158 0.000 0.991 100 E CA 2.562 58.993 56.400 0.052 0.000 0.810 100 E CB -0.368 29.299 29.700 -0.056 0.000 0.742 100 E HN -0.169 8.159 8.360 -0.054 0.000 0.466 101 I N -1.198 119.448 120.570 0.126 0.000 2.530 101 I HA -0.307 4.081 4.170 0.363 0.000 0.257 101 I C 1.577 177.725 176.117 0.052 0.000 1.179 101 I CA 2.637 64.017 61.300 0.133 0.000 1.440 101 I CB 0.017 37.937 38.000 -0.134 0.000 1.087 101 I HN -0.354 7.878 8.210 0.071 0.021 0.440 102 T N 0.067 114.555 114.554 -0.109 0.000 2.759 102 T HA -0.319 3.953 4.350 -0.129 0.000 0.269 102 T C 2.502 177.086 174.700 -0.193 0.000 1.042 102 T CA 4.028 66.013 62.100 -0.193 0.000 1.140 102 T CB -0.815 67.871 68.868 -0.303 0.000 0.864 102 T HN 0.039 8.040 8.240 -0.139 0.157 0.455 103 H N 1.077 120.112 119.070 -0.060 0.000 2.457 103 H HA -0.246 4.227 4.556 -0.139 0.000 0.297 103 H C 0.998 176.177 175.328 -0.248 0.000 1.092 103 H CA 2.941 58.882 56.048 -0.178 0.000 1.309 103 H CB -0.550 29.053 29.762 -0.265 0.000 1.382 103 H HN -0.376 7.662 8.280 -0.388 0.009 0.535 104 H N -4.469 114.633 119.070 0.053 0.000 2.551 104 H HA 0.002 4.580 4.556 0.037 0.000 0.266 104 H C -0.606 174.701 175.328 -0.035 0.000 0.977 104 H CA 0.409 56.456 56.048 -0.002 0.000 1.163 104 H CB 0.095 29.806 29.762 -0.084 0.000 1.381 104 H HN -0.566 7.667 8.280 0.163 0.145 0.581 105 C N 0.087 119.414 119.300 0.045 0.000 2.738 105 C HA -0.271 4.181 4.460 -0.013 0.000 0.270 105 C C -2.151 172.874 174.990 0.058 0.000 1.049 105 C CA -0.284 58.744 59.018 0.016 0.000 2.684 105 C CB 0.209 27.947 27.740 -0.003 0.000 1.606 105 C HN -0.204 7.826 8.230 0.018 0.210 0.416 106 P HA -0.147 4.471 4.420 0.331 0.000 0.237 106 P C -1.091 176.310 177.300 0.168 0.000 1.149 106 P CA 0.821 64.013 63.100 0.154 0.000 1.254 106 P CB -0.333 31.376 31.700 0.015 0.000 1.382 107 K N 0.185 120.681 120.400 0.161 0.000 2.533 107 K HA 0.135 4.510 4.320 0.092 0.000 0.202 107 K C -0.946 175.688 176.600 0.058 0.000 1.096 107 K CA 0.237 56.582 56.287 0.097 0.000 1.056 107 K CB 1.458 34.004 32.500 0.076 0.000 0.890 107 K HN 0.273 8.624 8.250 0.169 0.000 0.552 108 T N -2.659 111.886 114.554 -0.014 0.000 2.896 108 T HA 0.286 4.596 4.350 -0.067 0.000 0.297 108 T C -2.786 171.636 174.700 -0.463 0.000 1.108 108 T CA -3.342 58.660 62.100 -0.164 0.000 1.004 108 T CB 0.716 69.561 68.868 -0.039 0.000 1.159 108 T HN -0.816 7.453 8.240 0.049 0.000 0.499 109 P HA 0.052 4.427 4.420 -0.076 0.000 0.266 109 P C -1.653 175.352 177.300 -0.491 0.000 1.195 109 P CA -0.284 62.670 63.100 -0.243 0.000 0.768 109 P CB 0.570 32.199 31.700 -0.118 0.000 0.838 110 F N -0.783 119.191 119.950 0.039 0.000 2.546 110 F HA 0.385 4.958 4.527 0.076 0.000 0.320 110 F C -0.573 175.237 175.800 0.016 0.000 1.076 110 F CA -0.964 57.055 58.000 0.031 0.000 0.928 110 F CB 3.711 42.699 39.000 -0.020 0.000 1.189 110 F HN 0.072 8.482 8.300 0.184 0.000 0.465 111 L N 0.461 121.794 121.223 0.183 0.000 2.362 111 L HA 0.414 4.938 4.340 0.102 -0.122 0.275 111 L C -1.823 175.110 176.870 0.106 0.000 0.998 111 L CA -0.671 54.232 54.840 0.104 0.000 0.820 111 L CB 2.545 44.629 42.059 0.041 0.000 1.270 111 L HN 0.069 8.422 8.230 0.205 0.000 0.415 112 L N 4.677 125.972 121.223 0.120 0.000 2.265 112 L HA 0.508 4.917 4.340 0.115 0.000 0.289 112 L C -2.271 174.720 176.870 0.202 0.000 1.033 112 L CA -0.958 53.971 54.840 0.148 0.000 0.814 112 L CB 1.924 44.067 42.059 0.140 0.000 1.203 112 L HN 0.092 8.400 8.230 0.129 0.000 0.423 113 V N 6.848 126.883 119.914 0.202 0.000 2.513 113 V HA 0.711 5.075 4.120 0.108 -0.179 0.299 113 V C -0.680 175.434 176.094 0.034 0.000 1.035 113 V CA -1.928 60.439 62.300 0.112 0.000 0.889 113 V CB 2.827 34.660 31.823 0.017 0.000 0.988 113 V HN -0.296 8.014 8.190 0.199 0.000 0.440 114 G N 5.024 113.794 108.800 -0.051 0.000 2.368 114 G HA2 0.649 3.960 3.960 -1.082 0.000 0.320 114 G HA3 0.649 4.535 3.960 -0.122 0.000 0.320 114 G C -2.447 172.267 174.900 -0.310 0.000 1.158 114 G CA -1.371 43.512 45.100 -0.363 0.000 0.912 114 G HN 0.890 9.089 8.290 0.031 0.110 0.456 115 T N -0.570 113.722 114.554 -0.437 0.000 2.916 115 T HA 0.848 5.303 4.350 -0.164 -0.204 0.292 115 T C -0.343 174.243 174.700 -0.191 0.000 1.064 115 T CA -2.466 59.491 62.100 -0.238 0.000 1.011 115 T CB 3.983 72.729 68.868 -0.203 0.000 1.152 115 T HN -0.511 7.287 8.240 -0.736 0.000 0.510 116 Q N -1.134 118.593 119.800 -0.122 0.000 2.464 116 Q HA -0.439 3.855 4.340 -0.076 0.000 0.246 116 Q C -1.324 174.637 176.000 -0.065 0.000 0.763 116 Q CA 1.207 56.960 55.803 -0.085 0.000 1.233 116 Q CB -0.306 28.389 28.738 -0.073 0.000 1.361 116 Q HN 0.566 8.768 8.270 -0.114 0.000 0.699 117 I N -0.942 119.588 120.570 -0.067 0.000 3.176 117 I HA -0.346 3.809 4.170 -0.025 0.000 0.204 117 I C -0.038 176.058 176.117 -0.036 0.000 1.334 117 I CA 2.145 63.422 61.300 -0.038 0.000 0.825 117 I CB 0.388 38.370 38.000 -0.030 0.000 1.694 117 I HN -1.031 7.097 8.210 -0.082 0.033 0.970 118 D N -1.697 118.688 120.400 -0.025 0.000 4.241 118 D HA -0.478 4.151 4.640 -0.018 0.000 0.223 118 D C 1.817 178.106 176.300 -0.019 0.000 1.238 118 D CA 3.306 57.291 54.000 -0.025 0.000 2.331 118 D CB -1.457 39.318 40.800 -0.041 0.000 1.209 118 D HN 0.363 8.723 8.370 -0.016 0.000 0.407 119 L N -1.575 119.634 121.223 -0.023 0.000 2.083 119 L HA -0.269 4.177 4.340 -0.011 -0.113 0.209 119 L C 0.668 177.536 176.870 -0.005 0.000 1.083 119 L CA 1.642 56.474 54.840 -0.013 0.000 0.752 119 L CB 0.363 42.414 42.059 -0.014 0.000 0.899 119 L HN 0.335 8.478 8.230 -0.033 0.067 0.433 120 R N -5.033 115.465 120.500 -0.004 0.000 3.211 120 R HA -0.371 3.975 4.340 0.010 0.000 0.240 120 R C -1.193 175.111 176.300 0.007 0.000 0.915 120 R CA 0.984 57.087 56.100 0.005 0.000 0.621 120 R CB -2.025 28.278 30.300 0.005 0.000 1.008 120 R HN -0.669 7.581 8.270 -0.009 0.015 0.471 121 D N -4.417 115.988 120.400 0.009 0.000 3.585 121 D HA -0.239 4.409 4.640 0.014 0.000 0.251 121 D C -0.494 175.811 176.300 0.008 0.000 1.065 121 D CA 0.800 54.806 54.000 0.011 0.000 1.048 121 D CB 0.155 40.962 40.800 0.012 0.000 0.952 121 D HN 0.061 8.428 8.370 0.007 0.007 0.421 122 D N 0.819 121.223 120.400 0.007 0.000 2.405 122 D HA -0.143 4.499 4.640 0.004 0.000 0.232 122 D C 0.097 176.401 176.300 0.007 0.000 1.240 122 D CA 0.509 54.513 54.000 0.006 0.000 0.881 122 D CB 0.846 41.651 40.800 0.008 0.000 1.222 122 D HN 0.077 8.452 8.370 0.007 0.000 0.482 123 P HA -0.251 4.172 4.420 0.005 0.000 0.213 123 P C 1.233 178.537 177.300 0.007 0.000 1.170 123 P CA 3.034 66.138 63.100 0.006 0.000 0.902 123 P CB 0.243 31.946 31.700 0.005 0.000 0.789 124 S N -4.824 110.881 115.700 0.009 0.000 2.420 124 S HA -0.341 4.135 4.470 0.009 0.000 0.237 124 S C 1.794 176.401 174.600 0.011 0.000 1.023 124 S CA 2.805 61.011 58.200 0.010 0.000 0.991 124 S CB -0.733 62.474 63.200 0.011 0.000 0.792 124 S HN 0.352 8.667 8.310 0.009 0.000 0.488 125 T N 5.258 119.819 114.554 0.011 0.000 2.770 125 T HA -0.128 4.231 4.350 0.015 0.000 0.258 125 T C 1.582 176.289 174.700 0.011 0.000 1.039 125 T CA 3.682 65.790 62.100 0.013 0.000 1.143 125 T CB -0.185 68.691 68.868 0.015 0.000 0.866 125 T HN -0.632 7.475 8.240 0.011 0.139 0.428 126 I N 2.632 123.207 120.570 0.009 0.000 2.423 126 I HA -0.475 3.831 4.170 0.007 -0.132 0.254 126 I C 1.368 177.488 176.117 0.006 0.000 1.151 126 I CA 3.284 64.588 61.300 0.006 0.000 1.421 126 I CB 0.002 38.004 38.000 0.004 0.000 1.079 126 I HN 0.223 8.438 8.210 0.009 0.000 0.431 127 E N -0.808 119.396 120.200 0.007 0.000 2.047 127 E HA -0.420 3.933 4.350 0.005 0.000 0.191 127 E C 1.942 178.546 176.600 0.007 0.000 0.987 127 E CA 3.501 59.905 56.400 0.006 0.000 0.799 127 E CB -0.617 29.087 29.700 0.007 0.000 0.752 127 E HN -0.304 8.028 8.360 0.007 0.032 0.449 128 K N -0.239 120.167 120.400 0.009 0.000 2.097 128 K HA -0.243 4.083 4.320 0.010 0.000 0.206 128 K C 2.606 179.212 176.600 0.010 0.000 1.049 128 K CA 2.730 59.023 56.287 0.011 0.000 0.933 128 K CB -0.222 32.286 32.500 0.014 0.000 0.717 128 K HN -0.673 7.503 8.250 0.010 0.079 0.442 129 L N -2.406 118.822 121.223 0.010 0.000 2.131 129 L HA -0.148 4.198 4.340 0.010 0.000 0.206 129 L C 2.349 179.222 176.870 0.004 0.000 1.087 129 L CA 2.403 57.248 54.840 0.008 0.000 0.767 129 L CB -0.249 41.815 42.059 0.007 0.000 0.917 129 L HN -0.399 7.736 8.230 0.010 0.101 0.441 130 A N -0.493 122.329 122.820 0.003 0.000 1.948 130 A HA -0.349 3.970 4.320 -0.001 0.000 0.220 130 A C 2.340 179.925 177.584 0.002 0.000 1.177 130 A CA 3.053 55.091 52.037 0.001 0.000 0.636 130 A CB -1.113 17.888 19.000 0.001 0.000 0.815 130 A HN 0.609 8.570 8.150 0.004 0.191 0.449 131 K N -2.272 118.131 120.400 0.004 0.000 2.057 131 K HA -0.321 4.001 4.320 0.003 0.000 0.207 131 K C 1.333 177.935 176.600 0.004 0.000 1.049 131 K CA 3.036 59.325 56.287 0.004 0.000 0.931 131 K CB -0.058 32.446 32.500 0.006 0.000 0.714 131 K HN -0.384 7.859 8.250 0.005 0.010 0.440 132 N N -4.396 114.307 118.700 0.004 0.000 2.336 132 N HA -0.014 4.729 4.740 0.004 0.000 0.189 132 N C -1.220 174.290 175.510 0.001 0.000 1.113 132 N CA -0.061 52.992 53.050 0.004 0.000 0.858 132 N CB 0.308 38.800 38.487 0.007 0.000 0.970 132 N HN -0.557 7.727 8.380 0.005 0.099 0.471 133 K N -3.799 116.600 120.400 -0.001 0.000 3.077 133 K HA -0.384 3.933 4.320 -0.006 0.000 0.264 133 K C -0.608 175.987 176.600 -0.008 0.000 1.008 133 K CA 1.286 57.570 56.287 -0.005 0.000 0.740 133 K CB -3.047 29.450 32.500 -0.006 0.000 1.273 133 K HN -0.205 7.820 8.250 0.000 0.226 0.477 134 Q N -2.004 117.793 119.800 -0.006 0.000 2.178 134 Q HA -0.153 4.179 4.340 -0.014 0.000 0.195 134 Q C -0.428 175.561 176.000 -0.019 0.000 0.960 134 Q CA 0.801 56.598 55.803 -0.010 0.000 0.843 134 Q CB 1.299 30.037 28.738 0.000 0.000 0.927 134 Q HN -0.587 7.675 8.270 -0.003 0.007 0.487 135 K N -3.724 116.668 120.400 -0.013 0.000 7.330 135 K HA -0.232 4.081 4.320 -0.011 0.000 0.618 135 K C -2.745 173.841 176.600 -0.024 0.000 2.584 135 K CA -0.350 55.926 56.287 -0.018 0.000 1.988 135 K CB 0.042 32.526 32.500 -0.026 0.000 2.207 135 K HN 0.009 8.255 8.250 -0.006 0.000 0.233 136 P HA -0.066 4.355 4.420 0.002 0.000 0.272 136 P C -1.004 176.270 177.300 -0.043 0.000 1.223 136 P CA -0.475 62.619 63.100 -0.010 0.000 0.784 136 P CB 0.535 32.239 31.700 0.006 0.000 0.923 137 I N 0.926 121.464 120.570 -0.053 0.000 2.440 137 I HA 0.069 4.135 4.170 -0.174 0.000 0.294 137 I C 0.355 176.447 176.117 -0.040 0.000 0.995 137 I CA -2.015 59.200 61.300 -0.141 0.000 1.306 137 I CB -0.341 37.445 38.000 -0.357 0.000 1.407 137 I HN -0.018 8.188 8.210 -0.007 0.000 0.501 138 T N 3.756 118.279 114.554 -0.051 0.000 2.882 138 T HA 0.404 4.770 4.350 0.026 0.000 0.287 138 T C -0.037 174.701 174.700 0.063 0.000 1.014 138 T CA -2.632 59.473 62.100 0.009 0.000 1.049 138 T CB -0.408 68.454 68.868 -0.010 0.000 1.001 138 T HN 0.275 8.455 8.240 -0.100 0.000 0.525 139 P HA -0.272 4.280 4.420 0.220 0.000 0.218 139 P C 1.559 178.899 177.300 0.067 0.000 1.148 139 P CA 2.363 65.542 63.100 0.133 0.000 0.822 139 P CB 0.228 31.999 31.700 0.119 0.000 0.784 140 E N -2.459 117.754 120.200 0.021 0.000 2.110 140 E HA -0.308 3.996 4.350 -0.077 0.000 0.193 140 E C 2.073 178.671 176.600 -0.003 0.000 0.988 140 E CA 3.528 59.913 56.400 -0.025 0.000 0.804 140 E CB -0.487 29.200 29.700 -0.021 0.000 0.745 140 E HN 0.495 8.848 8.360 0.025 0.023 0.458 141 T N 1.002 115.571 114.554 0.024 0.000 2.867 141 T HA -0.185 4.179 4.350 0.025 0.000 0.268 141 T C 1.612 176.464 174.700 0.254 0.000 1.057 141 T CA 3.654 65.784 62.100 0.050 0.000 1.136 141 T CB -0.598 68.200 68.868 -0.117 0.000 0.874 141 T HN -0.593 7.553 8.240 0.013 0.102 0.466 142 A N 0.998 124.011 122.820 0.320 0.000 1.930 142 A HA -0.143 4.350 4.320 0.289 0.000 0.215 142 A C 1.292 178.872 177.584 -0.006 0.000 1.176 142 A CA 2.802 54.995 52.037 0.259 0.000 0.632 142 A CB -0.787 18.374 19.000 0.267 0.000 0.819 142 A HN -0.579 7.596 8.150 0.242 0.121 0.445 143 E N -1.020 119.145 120.200 -0.059 0.000 2.118 143 E HA -0.391 3.816 4.350 -0.239 0.000 0.195 143 E C 2.157 178.673 176.600 -0.141 0.000 0.992 143 E CA 3.217 59.486 56.400 -0.219 0.000 0.804 143 E CB -0.179 29.262 29.700 -0.431 0.000 0.741 143 E HN 0.153 8.420 8.360 -0.024 0.078 0.458 144 K N -1.969 118.388 120.400 -0.071 0.000 2.097 144 K HA -0.275 4.010 4.320 -0.058 0.000 0.206 144 K C 1.891 178.462 176.600 -0.048 0.000 1.049 144 K CA 2.613 58.873 56.287 -0.045 0.000 0.933 144 K CB -0.297 32.197 32.500 -0.009 0.000 0.717 144 K HN -0.739 7.474 8.250 -0.037 0.015 0.442 145 L N -0.952 120.237 121.223 -0.057 0.000 2.083 145 L HA -0.226 4.066 4.340 -0.079 0.000 0.209 145 L C 1.509 178.302 176.870 -0.128 0.000 1.083 145 L CA 2.567 57.340 54.840 -0.111 0.000 0.752 145 L CB -0.099 41.822 42.059 -0.229 0.000 0.899 145 L HN -0.708 7.397 8.230 -0.029 0.107 0.433 146 A N -0.054 122.690 122.820 -0.126 0.000 1.873 146 A HA -0.262 3.989 4.320 -0.115 0.000 0.215 146 A C 1.662 179.214 177.584 -0.053 0.000 1.186 146 A CA 2.925 54.907 52.037 -0.091 0.000 0.616 146 A CB -0.563 18.411 19.000 -0.044 0.000 0.823 146 A HN -0.536 7.535 8.150 -0.131 0.000 0.442 147 R N -4.953 115.520 120.500 -0.045 0.000 2.328 147 R HA -0.143 4.195 4.340 -0.005 0.000 0.200 147 R C 0.636 176.918 176.300 -0.031 0.000 0.983 147 R CA 0.136 56.222 56.100 -0.023 0.000 1.062 147 R CB -0.596 29.691 30.300 -0.022 0.000 0.956 147 R HN -0.557 7.676 8.270 -0.062 0.000 0.479 148 D N -0.997 119.375 120.400 -0.047 0.000 2.149 148 D HA -0.126 4.493 4.640 -0.035 0.000 0.201 148 D C 0.093 176.367 176.300 -0.044 0.000 0.972 148 D CA 2.387 56.360 54.000 -0.046 0.000 0.835 148 D CB 0.651 41.416 40.800 -0.059 0.000 0.966 148 D HN -0.428 7.671 8.370 -0.061 0.234 0.476 149 L N -1.688 119.504 121.223 -0.053 0.000 3.211 149 L HA 0.082 4.396 4.340 -0.043 0.000 0.175 149 L C 0.926 177.780 176.870 -0.026 0.000 1.378 149 L CA 0.643 55.453 54.840 -0.050 0.000 0.987 149 L CB 1.413 43.422 42.059 -0.083 0.000 1.457 149 L HN -0.863 7.331 8.230 -0.061 0.000 0.628 150 K N -2.796 117.592 120.400 -0.021 0.000 3.439 150 K HA 0.118 4.451 4.320 0.020 0.000 0.170 150 K C -1.331 175.301 176.600 0.052 0.000 1.035 150 K CA -0.466 55.834 56.287 0.020 0.000 0.794 150 K CB 0.047 32.568 32.500 0.036 0.000 0.795 150 K HN -0.053 8.169 8.250 -0.046 0.000 0.519 151 A N 0.443 123.286 122.820 0.038 0.000 2.520 151 A HA -0.055 4.325 4.320 0.101 0.000 0.245 151 A C -0.374 177.271 177.584 0.100 0.000 1.072 151 A CA 0.523 52.605 52.037 0.075 0.000 0.761 151 A CB 0.849 19.881 19.000 0.054 0.000 1.004 151 A HN -0.357 7.801 8.150 0.012 0.000 0.499 152 V N 3.493 123.480 119.914 0.122 0.000 2.270 152 V HA -0.190 3.975 4.120 0.076 0.000 0.245 152 V C 0.732 176.875 176.094 0.082 0.000 1.043 152 V CA 2.624 64.977 62.300 0.088 0.000 1.014 152 V CB 0.225 32.090 31.823 0.071 0.000 0.645 152 V HN 0.393 8.680 8.190 0.162 0.000 0.447 153 K N -3.897 116.559 120.400 0.094 0.000 2.597 153 K HA 0.196 4.592 4.320 0.128 0.000 0.282 153 K C -2.429 174.247 176.600 0.128 0.000 0.975 153 K CA -0.110 56.227 56.287 0.082 0.000 0.867 153 K CB 2.958 35.452 32.500 -0.011 0.000 1.465 153 K HN -0.691 7.621 8.250 0.104 0.000 0.417 154 Y N -1.199 119.124 120.300 0.039 0.000 2.446 154 Y HA 0.985 5.758 4.550 0.061 -0.187 0.345 154 Y C -1.445 174.485 175.900 0.051 0.000 0.984 154 Y CA -2.682 55.450 58.100 0.053 0.000 1.058 154 Y CB 1.808 40.304 38.460 0.059 0.000 1.220 154 Y HN -0.045 8.210 8.280 -0.042 0.000 0.455 155 V N -2.833 117.090 119.914 0.014 0.000 3.049 155 V HA 0.521 4.492 4.120 -0.249 0.000 0.309 155 V C -2.235 173.897 176.094 0.063 0.000 1.148 155 V CA -1.950 60.303 62.300 -0.078 0.000 0.990 155 V CB 3.710 35.485 31.823 -0.080 0.000 1.039 155 V HN 0.862 9.154 8.190 0.170 0.000 0.430 156 E N 1.658 121.880 120.200 0.038 0.000 2.238 156 E HA 0.823 5.344 4.350 0.028 -0.154 0.267 156 E C -0.450 176.147 176.600 -0.005 0.000 0.887 156 E CA -1.081 55.341 56.400 0.037 0.000 0.769 156 E CB 3.010 32.753 29.700 0.072 0.000 1.187 156 E HN 0.127 8.485 8.360 -0.003 0.000 0.416 157 C N 1.372 120.653 119.300 -0.031 0.000 2.888 157 C HA 0.491 4.938 4.460 -0.023 0.000 0.308 157 C C -1.156 173.799 174.990 -0.059 0.000 1.213 157 C CA -2.735 56.262 59.018 -0.035 0.000 1.461 157 C CB 3.776 31.502 27.740 -0.025 0.000 1.934 157 C HN 0.956 9.154 8.230 -0.053 0.000 0.474 158 S N 0.818 116.478 115.700 -0.066 0.000 2.520 158 S HA 0.178 4.588 4.470 -0.101 0.000 0.324 158 S C -0.009 174.496 174.600 -0.157 0.000 1.069 158 S CA -2.420 55.719 58.200 -0.102 0.000 1.121 158 S CB 0.599 63.743 63.200 -0.093 0.000 0.971 158 S HN 0.353 8.603 8.310 -0.053 0.027 0.463 159 A N 8.222 130.933 122.820 -0.183 0.000 1.968 159 A HA -0.145 4.040 4.320 -0.225 0.000 0.217 159 A C 0.528 177.715 177.584 -0.662 0.000 1.169 159 A CA 2.144 54.009 52.037 -0.286 0.000 0.638 159 A CB -0.046 18.862 19.000 -0.153 0.000 0.812 159 A HN 0.667 8.730 8.150 -0.145 0.000 0.446 160 L N -3.401 117.532 121.223 -0.483 0.000 2.129 160 L HA -0.208 3.720 4.340 -0.685 0.000 0.212 160 L C 0.321 176.831 176.870 -0.600 0.000 1.087 160 L CA 1.520 56.034 54.840 -0.543 0.000 0.757 160 L CB 0.220 42.141 42.059 -0.230 0.000 0.896 160 L HN -0.040 7.995 8.230 -0.294 0.018 0.434 161 T N -7.128 107.180 114.554 -0.409 0.000 2.907 161 T HA 0.236 4.449 4.350 -0.228 0.000 0.290 161 T C 0.092 174.672 174.700 -0.201 0.000 1.066 161 T CA -1.556 60.394 62.100 -0.250 0.000 1.012 161 T CB 2.543 71.333 68.868 -0.129 0.000 1.184 161 T HN -0.824 7.089 8.240 -0.338 0.124 0.522 162 Q N -0.581 119.164 119.800 -0.093 0.000 2.547 162 Q HA -0.165 4.158 4.340 -0.028 0.000 0.217 162 Q C 0.915 176.891 176.000 -0.041 0.000 0.978 162 Q CA 1.140 56.919 55.803 -0.041 0.000 0.962 162 Q CB -1.550 27.180 28.738 -0.012 0.000 0.990 162 Q HN 0.542 8.775 8.270 -0.062 0.000 0.538 163 K N -0.104 120.261 120.400 -0.058 0.000 2.444 163 K HA -0.094 4.211 4.320 -0.025 0.000 0.193 163 K C 0.921 177.505 176.600 -0.027 0.000 1.024 163 K CA 0.961 57.226 56.287 -0.037 0.000 1.077 163 K CB -0.060 32.414 32.500 -0.042 0.000 0.833 163 K HN -0.573 7.478 8.250 -0.087 0.147 0.517 164 G N -0.445 108.333 108.800 -0.036 0.000 2.497 164 G HA2 0.052 3.977 3.960 -0.018 0.000 0.210 164 G HA3 0.052 3.999 3.960 -0.037 -0.009 0.210 164 G C 0.571 175.495 174.900 0.040 0.000 1.177 164 G CA 1.404 46.494 45.100 -0.016 0.000 0.822 164 G HN -0.625 7.566 8.290 -0.060 0.064 0.550 165 L N 0.725 121.991 121.223 0.073 0.000 2.083 165 L HA -0.274 4.189 4.340 0.206 0.000 0.209 165 L C 2.113 179.088 176.870 0.175 0.000 1.083 165 L CA 2.265 57.207 54.840 0.169 0.000 0.752 165 L CB -1.144 41.031 42.059 0.194 0.000 0.899 165 L HN -0.144 8.112 8.230 0.044 0.000 0.433 166 K N -3.059 117.392 120.400 0.087 0.000 2.152 166 K HA -0.440 3.929 4.320 0.082 0.000 0.206 166 K C 2.415 179.087 176.600 0.119 0.000 1.048 166 K CA 3.677 60.011 56.287 0.080 0.000 0.933 166 K CB -0.565 31.942 32.500 0.012 0.000 0.721 166 K HN -0.658 7.619 8.250 0.044 0.000 0.447 167 N N -1.100 117.648 118.700 0.080 0.000 2.135 167 N HA -0.133 4.634 4.740 0.045 0.000 0.186 167 N C 1.834 177.384 175.510 0.067 0.000 1.027 167 N CA 2.681 55.763 53.050 0.053 0.000 0.849 167 N CB 0.204 38.702 38.487 0.018 0.000 1.002 167 N HN -0.802 7.493 8.380 0.062 0.122 0.425 168 V N -4.240 115.723 119.914 0.082 0.000 3.461 168 V HA -0.000 4.128 4.120 0.014 0.000 0.267 168 V C 1.487 177.637 176.094 0.094 0.000 1.186 168 V CA 1.897 64.231 62.300 0.056 0.000 1.154 168 V CB -1.369 30.475 31.823 0.036 0.000 0.802 168 V HN -0.616 7.626 8.190 0.087 0.000 0.474 169 F N 3.192 123.166 119.950 0.040 0.000 2.098 169 F HA -0.395 4.185 4.527 0.089 0.000 0.294 169 F C 0.663 176.482 175.800 0.032 0.000 1.107 169 F CA 4.876 62.916 58.000 0.066 0.000 1.234 169 F CB 0.460 39.512 39.000 0.086 0.000 1.002 169 F HN 0.093 8.410 8.300 0.302 0.165 0.472 170 D N -2.227 118.276 120.400 0.172 0.000 2.117 170 D HA -0.280 4.384 4.640 0.040 0.000 0.197 170 D C 2.538 178.799 176.300 -0.065 0.000 0.987 170 D CA 3.358 57.389 54.000 0.051 0.000 0.829 170 D CB -0.640 40.217 40.800 0.096 0.000 0.961 170 D HN -0.693 7.846 8.370 0.282 0.000 0.460 171 E N -1.256 118.913 120.200 -0.051 0.000 2.106 171 E HA -0.240 4.069 4.350 -0.068 0.000 0.192 171 E C 2.139 178.667 176.600 -0.120 0.000 0.984 171 E CA 2.192 58.547 56.400 -0.075 0.000 0.806 171 E CB -0.426 29.239 29.700 -0.057 0.000 0.750 171 E HN -0.742 7.611 8.360 -0.010 0.000 0.458 172 A N -1.180 121.542 122.820 -0.163 0.000 1.940 172 A HA -0.297 3.926 4.320 -0.162 0.000 0.219 172 A C 1.704 179.149 177.584 -0.233 0.000 1.176 172 A CA 3.175 55.088 52.037 -0.206 0.000 0.631 172 A CB -0.682 18.161 19.000 -0.262 0.000 0.814 172 A HN -0.307 7.663 8.150 -0.148 0.091 0.446 173 I N -1.638 118.767 120.570 -0.275 0.000 2.226 173 I HA -0.479 3.545 4.170 -0.243 0.000 0.245 173 I C 1.484 177.502 176.117 -0.165 0.000 1.100 173 I CA 2.908 64.070 61.300 -0.230 0.000 1.374 173 I CB -0.324 37.552 38.000 -0.206 0.000 1.057 173 I HN -0.885 7.030 8.210 -0.313 0.107 0.413 174 L N -0.227 120.916 121.223 -0.133 0.000 2.013 174 L HA -0.424 3.859 4.340 -0.095 0.000 0.212 174 L C 1.343 178.142 176.870 -0.117 0.000 1.073 174 L CA 3.122 57.899 54.840 -0.105 0.000 0.753 174 L CB -0.498 41.511 42.059 -0.082 0.000 0.890 174 L HN -0.846 7.218 8.230 -0.132 0.087 0.432 175 A N -2.334 120.410 122.820 -0.127 0.000 1.972 175 A HA -0.383 3.868 4.320 -0.116 0.000 0.219 175 A C 1.350 178.843 177.584 -0.152 0.000 1.169 175 A CA 2.642 54.601 52.037 -0.131 0.000 0.635 175 A CB -0.941 17.978 19.000 -0.135 0.000 0.810 175 A HN -0.612 7.460 8.150 -0.130 0.000 0.446 176 A N -2.502 120.211 122.820 -0.178 0.000 1.917 176 A HA -0.301 3.891 4.320 -0.214 0.000 0.219 176 A C 1.378 178.819 177.584 -0.238 0.000 1.182 176 A CA 2.455 54.355 52.037 -0.228 0.000 0.633 176 A CB -0.699 18.134 19.000 -0.279 0.000 0.819 176 A HN -0.660 7.263 8.150 -0.177 0.121 0.448 177 L N -3.926 117.179 121.223 -0.197 0.000 2.083 177 L HA -0.216 4.007 4.340 -0.194 0.000 0.209 177 L C 0.895 177.688 176.870 -0.127 0.000 1.083 177 L CA 1.385 56.128 54.840 -0.162 0.000 0.752 177 L CB -0.320 41.670 42.059 -0.116 0.000 0.899 177 L HN -0.626 7.497 8.230 -0.176 0.002 0.433 178 E N 0.000 120.130 120.200 -0.117 0.000 2.725 178 E HA 0.000 4.303 4.350 -0.078 0.000 0.291 178 E CA 0.000 56.343 56.400 -0.094 0.000 0.976 178 E CB 0.000 29.646 29.700 -0.089 0.000 0.812 178 E HN 0.000 8.171 8.360 -0.124 0.115 0.440