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 2xhn_1_B DATA FIRST_RESID 1 DATA SEQUENCE AFGITTSSSA YVIDTNAPNQ LKFTVSRSSc DITSIIHYGT ELQYSSQGSH DATA SEQUENCE IGSGLGSATV TATQSGDYIK VTcVTDTLTQ YMVVHNGDPI IHMATYITAE DATA SEQUENCE PSIGELRFIA RLNSDLLPNE EPFGDVSTTA DGTAIEGSDV FLVGSETRSA DATA SEQUENCE FYSSERFIDD QRHcIAGDAH RVcMILNQYE SSSGGPFHRD INSNNGGSYN DATA SEQUENCE ALYWYMNSGH VQTESYRMGL HGPYSMYFSR SGTPSTSIDT SFFADLDIKG DATA SEQUENCE YVAASGRGKV AGTASGADSS MDWVVHWYND AAQYWTYTSS SGSFTSPAMK DATA SEQUENCE PGTYTMVYYQ GEYAVATSSV TVSAGSTTTK NISGSVKTGT TIFKIGEWDG DATA SEQUENCE QPTGFRNAAN QLRMHPSDSR MSSWGPLTYT VGSSALTDFP MAVFKSVNNP DATA SEQUENCE VTIKFTATSA QTGAATLRIG TTLSFAGGRP QATINSYTGS APAAPTNLDS DATA SEQUENCE RGVTRGAYRG LGEVYDVSIP SGTIVAGTNT ITINVISGSS GDTYLSPNFI DATA SEQUENCE FDCVELFQ 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 A HA 0.000 4.339 4.320 0.032 0.000 0.244 1 A C 0.000 177.609 177.584 0.042 0.000 1.274 1 A CA 0.000 52.048 52.037 0.018 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 2 F N 3.229 123.126 119.950 -0.087 0.000 2.602 2 F HA -0.022 4.653 4.527 -0.105 -0.211 0.385 2 F C -0.005 175.738 175.800 -0.095 0.000 1.063 2 F CA 0.340 58.278 58.000 -0.103 0.000 1.233 2 F CB 0.550 39.474 39.000 -0.128 0.000 1.067 2 F HN -0.030 8.398 8.300 0.213 0.000 0.564 3 G N 6.602 115.021 108.800 -0.635 0.000 2.324 3 G HA2 0.038 3.812 3.960 -0.311 0.000 0.293 3 G HA3 0.038 3.626 3.960 -0.621 0.000 0.293 3 G C -3.188 171.461 174.900 -0.417 0.000 1.297 3 G CA 0.091 44.886 45.100 -0.507 0.000 0.853 3 G HN -0.276 7.592 8.290 -0.703 0.000 0.535 4 I N -0.140 120.253 120.570 -0.295 0.000 2.406 4 I HA 0.603 4.790 4.170 -0.242 -0.163 0.290 4 I C -0.554 175.493 176.117 -0.117 0.000 0.999 4 I CA -0.893 60.275 61.300 -0.221 0.000 1.124 4 I CB 2.999 40.861 38.000 -0.230 0.000 1.289 4 I HN 0.336 8.391 8.210 -0.258 0.000 0.441 5 T N 10.804 125.313 114.554 -0.074 0.000 2.779 5 T HA 0.314 4.643 4.350 -0.035 0.000 0.280 5 T C -1.399 173.323 174.700 0.036 0.000 0.987 5 T CA -0.553 61.527 62.100 -0.034 0.000 0.966 5 T CB 1.650 70.483 68.868 -0.059 0.000 0.933 5 T HN 0.609 8.795 8.240 -0.089 0.000 0.442 6 T N 9.781 124.363 114.554 0.047 0.000 2.771 6 T HA 0.475 4.881 4.350 0.093 0.000 0.281 6 T C -1.072 173.606 174.700 -0.038 0.000 0.982 6 T CA -0.541 61.597 62.100 0.062 0.000 0.978 6 T CB 1.471 70.415 68.868 0.127 0.000 0.930 6 T HN 0.264 8.517 8.240 0.021 0.000 0.447 7 S N 7.949 123.582 115.700 -0.112 0.000 2.709 7 S HA 0.504 4.928 4.470 -0.077 0.000 0.302 7 S C 0.612 175.122 174.600 -0.150 0.000 1.127 7 S CA -1.733 56.403 58.200 -0.107 0.000 0.905 7 S CB 2.308 65.453 63.200 -0.091 0.000 1.151 7 S HN 0.425 8.633 8.310 -0.170 0.000 0.510 8 S N 0.147 115.782 115.700 -0.108 0.000 2.387 8 S HA -0.208 4.198 4.470 -0.106 0.000 0.230 8 S C 0.420 174.937 174.600 -0.137 0.000 1.035 8 S CA 2.848 60.984 58.200 -0.106 0.000 1.014 8 S CB -0.311 62.847 63.200 -0.070 0.000 0.836 8 S HN 0.377 8.636 8.310 -0.085 0.000 0.466 9 S N -2.472 113.147 115.700 -0.134 0.000 2.503 9 S HA 0.061 4.462 4.470 -0.116 0.000 0.215 9 S C -0.995 173.504 174.600 -0.169 0.000 1.003 9 S CA 0.358 58.482 58.200 -0.126 0.000 0.910 9 S CB 1.373 64.523 63.200 -0.083 0.000 0.790 9 S HN -0.712 7.501 8.310 -0.122 0.023 0.514 10 A N -0.557 122.120 122.820 -0.239 0.000 2.612 10 A HA 0.528 4.860 4.320 -0.231 -0.150 0.293 10 A C -2.836 174.531 177.584 -0.361 0.000 1.075 10 A CA 0.132 52.026 52.037 -0.239 0.000 0.680 10 A CB 2.435 21.369 19.000 -0.109 0.000 1.279 10 A HN -0.821 7.176 8.150 -0.255 0.000 0.411 11 Y N -1.621 118.644 120.300 -0.058 0.000 2.341 11 Y HA 0.665 5.343 4.550 -0.099 -0.187 0.337 11 Y C -0.603 175.206 175.900 -0.151 0.000 1.014 11 Y CA -1.771 56.269 58.100 -0.100 0.000 1.111 11 Y CB 1.849 40.249 38.460 -0.099 0.000 1.194 11 Y HN -0.043 8.181 8.280 -0.093 0.000 0.462 12 V N 4.076 123.975 119.914 -0.025 0.000 2.370 12 V HA 0.345 4.520 4.120 -0.195 -0.172 0.283 12 V C -1.059 174.876 176.094 -0.266 0.000 1.023 12 V CA -0.517 61.689 62.300 -0.156 0.000 0.857 12 V CB 1.163 32.916 31.823 -0.117 0.000 0.985 12 V HN 0.530 8.721 8.190 0.002 0.000 0.443 13 I N 8.018 128.279 120.570 -0.516 0.000 2.339 13 I HA 0.445 4.488 4.170 -0.455 -0.146 0.290 13 I C -1.781 174.048 176.117 -0.479 0.000 0.994 13 I CA -2.620 58.316 61.300 -0.606 0.000 1.191 13 I CB 0.448 37.837 38.000 -1.018 0.000 1.343 13 I HN 0.784 8.588 8.210 -0.676 0.000 0.458 14 D N 6.838 127.049 120.400 -0.314 0.000 2.414 14 D HA 0.504 5.070 4.640 -0.123 0.000 0.232 14 D C 0.942 177.211 176.300 -0.052 0.000 1.070 14 D CA -1.641 52.264 54.000 -0.158 0.000 0.839 14 D CB 3.094 43.820 40.800 -0.122 0.000 1.079 14 D HN 0.069 8.231 8.370 -0.348 0.000 0.521 15 T N 4.857 119.454 114.554 0.073 0.000 3.085 15 T HA -0.252 4.318 4.350 0.366 0.000 0.263 15 T C 0.883 175.723 174.700 0.235 0.000 1.127 15 T CA 1.120 63.358 62.100 0.229 0.000 1.103 15 T CB 0.341 69.304 68.868 0.157 0.000 0.921 15 T HN 0.314 8.586 8.240 0.055 0.000 0.510 16 N N 0.710 119.497 118.700 0.144 0.000 2.725 16 N HA -0.466 4.305 4.740 0.053 0.000 0.249 16 N C -1.463 174.052 175.510 0.009 0.000 1.103 16 N CA 1.032 54.125 53.050 0.072 0.000 0.707 16 N CB -1.054 37.484 38.487 0.086 0.000 1.043 16 N HN -0.058 8.653 8.380 0.105 -0.268 0.553 17 A N -0.943 121.894 122.820 0.028 0.000 2.407 17 A HA 0.224 4.616 4.320 -0.005 -0.075 0.248 17 A C -0.895 176.714 177.584 0.040 0.000 1.082 17 A CA -1.985 50.066 52.037 0.024 0.000 0.785 17 A CB -0.124 18.908 19.000 0.052 0.000 1.020 17 A HN -0.672 7.480 8.150 0.050 0.028 0.489 18 P HA -0.173 4.268 4.420 0.036 0.000 0.216 18 P C -0.189 177.163 177.300 0.087 0.000 1.153 18 P CA 2.191 65.322 63.100 0.052 0.000 0.858 18 P CB 0.172 31.904 31.700 0.052 0.000 0.789 19 N N -3.651 115.119 118.700 0.116 0.000 2.314 19 N HA 0.093 4.973 4.740 0.233 0.000 0.200 19 N C -1.425 174.158 175.510 0.120 0.000 1.135 19 N CA -0.722 52.425 53.050 0.163 0.000 0.835 19 N CB -0.172 38.371 38.487 0.094 0.000 0.989 19 N HN 0.040 8.493 8.380 0.120 0.000 0.478 20 Q N -2.703 117.150 119.800 0.089 0.000 3.097 20 Q HA -0.501 3.939 4.340 0.049 -0.070 0.068 20 Q C -2.868 173.193 176.000 0.103 0.000 1.636 20 Q CA 0.795 56.632 55.803 0.057 0.000 0.314 20 Q CB -0.367 28.373 28.738 0.005 0.000 0.590 20 Q HN -0.308 7.821 8.270 0.088 0.194 0.321 21 L N 6.303 127.577 121.223 0.085 0.000 2.541 21 L HA 0.780 5.373 4.340 0.059 -0.218 0.266 21 L C -2.362 174.538 176.870 0.049 0.000 0.966 21 L CA -0.246 54.632 54.840 0.063 0.000 0.871 21 L CB 3.567 45.645 42.059 0.032 0.000 1.232 21 L HN 0.362 8.632 8.230 0.066 0.000 0.408 22 K N 5.876 126.295 120.400 0.032 0.000 2.375 22 K HA 1.040 5.535 4.320 -0.043 -0.201 0.249 22 K C -1.371 175.283 176.600 0.090 0.000 0.942 22 K CA -1.853 54.434 56.287 -0.001 0.000 0.806 22 K CB 3.827 36.298 32.500 -0.049 0.000 1.227 22 K HN 0.161 8.423 8.250 0.020 0.000 0.430 23 F N -1.761 118.139 119.950 -0.084 0.000 2.645 23 F HA 0.778 5.396 4.527 -0.070 -0.132 0.310 23 F C -2.360 173.425 175.800 -0.025 0.000 1.102 23 F CA -1.962 55.998 58.000 -0.066 0.000 0.952 23 F CB 3.255 42.207 39.000 -0.079 0.000 1.326 23 F HN 0.555 8.609 8.300 -0.410 0.000 0.456 24 T N 3.297 117.923 114.554 0.120 0.000 2.779 24 T HA 0.460 4.947 4.350 -0.046 -0.164 0.280 24 T C -0.976 173.811 174.700 0.144 0.000 0.987 24 T CA -0.243 61.881 62.100 0.041 0.000 0.966 24 T CB 1.333 70.213 68.868 0.020 0.000 0.933 24 T HN 0.352 8.716 8.240 0.207 0.000 0.442 25 V N 7.588 127.573 119.914 0.119 0.000 2.384 25 V HA 0.473 4.891 4.120 0.193 -0.183 0.287 25 V C -1.075 175.070 176.094 0.086 0.000 1.020 25 V CA -2.283 60.118 62.300 0.168 0.000 0.850 25 V CB 1.092 33.057 31.823 0.237 0.000 0.987 25 V HN 0.788 9.018 8.190 0.066 0.000 0.436 26 S N 6.876 122.617 115.700 0.069 0.000 2.533 26 S HA -0.007 4.582 4.470 -0.021 -0.132 0.282 26 S C 1.091 175.693 174.600 0.004 0.000 1.304 26 S CA 0.163 58.373 58.200 0.016 0.000 1.063 26 S CB 0.635 63.852 63.200 0.028 0.000 0.881 26 S HN 0.305 8.669 8.310 0.091 0.000 0.493 27 R N 7.227 127.679 120.500 -0.080 0.000 2.276 27 R HA -0.139 4.177 4.340 -0.039 0.000 0.203 27 R C 0.850 177.130 176.300 -0.034 0.000 1.017 27 R CA 2.222 58.265 56.100 -0.095 0.000 1.010 27 R CB 0.003 30.149 30.300 -0.257 0.000 0.900 27 R HN 0.325 8.419 8.270 -0.119 0.105 0.469 28 S N -2.054 113.632 115.700 -0.023 0.000 2.387 28 S HA 0.000 4.465 4.470 -0.010 0.000 0.221 28 S C 0.617 175.225 174.600 0.013 0.000 1.041 28 S CA 2.975 61.171 58.200 -0.007 0.000 0.959 28 S CB 1.081 64.274 63.200 -0.011 0.000 0.843 28 S HN -0.527 7.720 8.310 -0.027 0.046 0.488 29 S N -1.954 113.761 115.700 0.026 0.000 2.549 29 S HA 0.300 4.894 4.470 0.029 -0.107 0.225 29 S C 0.225 174.864 174.600 0.066 0.000 1.039 29 S CA -0.020 58.204 58.200 0.039 0.000 0.942 29 S CB 1.592 64.819 63.200 0.045 0.000 0.881 29 S HN -0.669 7.657 8.310 0.027 0.000 0.503 30 c N 0.898 119.547 118.600 0.083 0.000 4.473 30 c HA -0.350 4.401 4.570 0.131 -0.102 0.272 30 c C -1.057 173.127 174.090 0.157 0.000 1.434 30 c CA 0.739 57.142 56.329 0.122 0.000 1.761 30 c CB -2.120 40.460 42.510 0.116 0.000 1.564 30 c HN -0.324 7.949 8.230 0.071 0.000 0.725 31 D N -0.170 120.316 120.400 0.144 0.000 2.443 31 D HA -0.058 4.704 4.640 0.203 0.000 0.239 31 D C 0.195 176.579 176.300 0.141 0.000 1.136 31 D CA 1.543 55.640 54.000 0.161 0.000 0.879 31 D CB 0.751 41.636 40.800 0.142 0.000 1.195 31 D HN -0.575 7.804 8.370 0.119 0.062 0.443 32 I N 3.026 123.679 120.570 0.138 0.000 2.379 32 I HA 0.098 4.594 4.170 0.198 -0.208 0.290 32 I C 0.889 177.047 176.117 0.068 0.000 1.063 32 I CA 0.738 62.127 61.300 0.149 0.000 1.351 32 I CB -0.317 37.781 38.000 0.164 0.000 1.410 32 I HN 0.073 8.362 8.210 0.131 0.000 0.505 33 T N 4.478 119.075 114.554 0.072 0.000 2.985 33 T HA 0.187 4.535 4.350 -0.003 0.000 0.254 33 T C -0.526 174.184 174.700 0.017 0.000 1.021 33 T CA -0.843 61.270 62.100 0.022 0.000 0.957 33 T CB 1.572 70.447 68.868 0.012 0.000 1.047 33 T HN 0.450 8.750 8.240 0.099 0.000 0.511 34 S N 0.017 115.747 115.700 0.051 0.000 2.533 34 S HA 0.287 4.917 4.470 0.027 -0.144 0.271 34 S C -2.591 172.057 174.600 0.080 0.000 1.143 34 S CA -0.346 57.880 58.200 0.043 0.000 0.891 34 S CB 1.740 64.953 63.200 0.022 0.000 1.105 34 S HN -0.876 7.485 8.310 0.085 0.000 0.468 35 I N 6.098 126.699 120.570 0.052 0.000 2.500 35 I HA 0.372 4.734 4.170 0.064 -0.153 0.286 35 I C -2.084 174.036 176.117 0.005 0.000 1.063 35 I CA -0.507 60.809 61.300 0.026 0.000 1.062 35 I CB 3.720 41.705 38.000 -0.025 0.000 1.223 35 I HN 0.619 9.201 8.210 0.038 -0.349 0.435 36 I N 6.921 127.495 120.570 0.006 0.000 2.355 36 I HA 0.496 4.881 4.170 0.030 -0.197 0.288 36 I C -1.725 174.430 176.117 0.064 0.000 0.999 36 I CA -2.522 58.792 61.300 0.024 0.000 1.163 36 I CB -0.152 37.853 38.000 0.007 0.000 1.316 36 I HN 0.670 8.886 8.210 0.010 0.000 0.454 37 H N 8.912 127.994 119.070 0.020 0.000 2.547 37 H HA 0.457 5.301 4.556 0.087 -0.235 0.342 37 H C 0.100 175.614 175.328 0.309 0.000 1.048 37 H CA -2.576 53.549 56.048 0.128 0.000 1.204 37 H CB 3.499 33.375 29.762 0.189 0.000 1.493 37 H HN 0.176 8.553 8.280 0.163 0.000 0.511 38 Y N 8.913 128.973 120.300 -0.399 0.000 3.108 38 Y HA -0.498 4.023 4.550 -0.207 -0.095 0.208 38 Y C -0.968 174.909 175.900 -0.039 0.000 1.245 38 Y CA 1.551 59.503 58.100 -0.247 0.000 1.171 38 Y CB -2.332 35.926 38.460 -0.337 0.000 1.331 38 Y HN 0.129 8.281 8.280 -0.213 0.000 0.534 39 G N -1.913 106.835 108.800 -0.087 0.000 2.162 39 G HA2 -0.402 3.460 3.960 -0.163 0.000 0.260 39 G HA3 -0.402 3.580 3.960 -0.085 -0.073 0.260 39 G C -0.628 174.272 174.900 -0.000 0.000 0.976 39 G CA 0.238 45.284 45.100 -0.090 0.000 0.655 39 G HN -0.130 8.328 8.290 -0.062 -0.205 0.533 40 T N 2.513 117.107 114.554 0.067 0.000 2.848 40 T HA 0.157 4.538 4.350 0.051 0.000 0.285 40 T C -1.743 172.969 174.700 0.019 0.000 0.995 40 T CA -0.681 61.458 62.100 0.064 0.000 0.970 40 T CB 2.316 71.262 68.868 0.131 0.000 0.976 40 T HN -0.481 7.666 8.240 0.095 0.150 0.441 41 E N 7.516 127.722 120.200 0.010 0.000 2.324 41 E HA 0.081 4.626 4.350 0.011 -0.188 0.271 41 E C -0.556 176.043 176.600 -0.002 0.000 1.028 41 E CA -0.074 56.331 56.400 0.007 0.000 0.890 41 E CB -0.218 29.488 29.700 0.010 0.000 1.004 41 E HN 0.539 8.908 8.360 0.015 0.000 0.431 42 L N 5.033 126.263 121.223 0.012 0.000 2.609 42 L HA 0.170 4.513 4.340 0.005 0.000 0.230 42 L C -0.684 176.230 176.870 0.073 0.000 1.087 42 L CA -0.199 54.660 54.840 0.030 0.000 0.874 42 L CB 0.739 42.840 42.059 0.069 0.000 1.114 42 L HN 0.513 8.757 8.230 0.023 0.000 0.488 43 Q N -0.068 119.769 119.800 0.063 0.000 2.304 43 Q HA -0.066 4.317 4.340 0.072 0.000 0.260 43 Q C -0.233 175.816 176.000 0.081 0.000 0.965 43 Q CA -0.938 54.903 55.803 0.063 0.000 0.898 43 Q CB 0.602 29.361 28.738 0.035 0.000 1.196 43 Q HN -0.663 7.930 8.270 0.048 -0.295 0.402 44 Y N 9.135 129.400 120.300 -0.057 0.000 2.717 44 Y HA -0.194 4.353 4.550 -0.006 0.000 0.330 44 Y C -0.047 175.817 175.900 -0.060 0.000 1.217 44 Y CA 0.885 58.951 58.100 -0.056 0.000 1.506 44 Y CB 1.110 39.480 38.460 -0.150 0.000 1.268 44 Y HN -0.162 8.219 8.280 0.169 0.000 0.561 45 S N 6.049 121.466 115.700 -0.472 0.000 2.470 45 S HA -0.148 4.194 4.470 -0.213 0.000 0.225 45 S C 0.377 174.717 174.600 -0.434 0.000 1.006 45 S CA 1.632 59.622 58.200 -0.350 0.000 0.934 45 S CB -0.030 63.036 63.200 -0.223 0.000 0.778 45 S HN 0.345 8.346 8.310 -0.516 0.000 0.517 46 S N -1.182 114.032 115.700 -0.809 0.000 2.540 46 S HA 0.177 4.480 4.470 -0.278 0.000 0.218 46 S C -0.901 173.562 174.600 -0.227 0.000 0.977 46 S CA 0.293 58.225 58.200 -0.447 0.000 0.918 46 S CB 0.439 63.428 63.200 -0.353 0.000 0.806 46 S HN -0.280 7.126 8.310 -1.508 0.000 0.496 47 Q N -0.275 119.403 119.800 -0.204 0.000 2.386 47 Q HA 0.129 4.473 4.340 0.007 0.000 0.274 47 Q C -1.702 174.242 176.000 -0.092 0.000 1.011 47 Q CA -0.125 55.673 55.803 -0.008 0.000 0.867 47 Q CB 2.573 31.393 28.738 0.136 0.000 1.409 47 Q HN -0.902 7.159 8.270 -0.349 0.000 0.395 48 G N 1.044 109.761 108.800 -0.139 0.000 2.599 48 G HA2 0.293 4.153 3.960 -0.167 0.000 0.264 48 G HA3 0.293 4.228 3.960 -0.177 -0.081 0.264 48 G C -1.800 172.676 174.900 -0.708 0.000 1.200 48 G CA -0.765 44.171 45.100 -0.274 0.000 0.896 48 G HN 0.347 8.621 8.290 -0.026 0.000 0.536 49 S N 0.263 115.678 115.700 -0.475 0.000 2.499 49 S HA 0.612 4.740 4.470 -0.769 -0.119 0.279 49 S C -0.897 173.437 174.600 -0.443 0.000 1.219 49 S CA 0.249 58.119 58.200 -0.550 0.000 1.062 49 S CB 0.797 63.878 63.200 -0.198 0.000 0.978 49 S HN -0.341 7.817 8.310 -0.254 0.000 0.489 50 H N 0.803 119.563 119.070 -0.517 0.000 2.904 50 H HA 0.277 4.803 4.556 -0.050 0.000 0.290 50 H C -2.213 172.871 175.328 -0.406 0.000 1.437 50 H CA -1.648 54.228 56.048 -0.286 0.000 1.147 50 H CB 1.573 31.275 29.762 -0.100 0.000 1.824 50 H HN 0.637 8.388 8.280 -0.882 0.000 0.505 51 I N 0.205 120.864 120.570 0.149 0.000 2.683 51 I HA -0.201 4.215 4.170 0.114 -0.178 0.286 51 I C 1.506 177.585 176.117 -0.064 0.000 1.175 51 I CA 0.701 62.053 61.300 0.088 0.000 1.429 51 I CB -1.833 36.238 38.000 0.118 0.000 1.371 51 I HN 0.490 8.848 8.210 0.246 0.000 0.569 52 G N 7.947 116.703 108.800 -0.073 0.000 2.565 52 G HA2 -0.460 3.431 3.960 -0.116 0.000 0.295 52 G HA3 -0.460 3.451 3.960 -0.081 0.000 0.295 52 G C -0.051 174.789 174.900 -0.100 0.000 1.165 52 G CA 1.167 46.209 45.100 -0.097 0.000 0.977 52 G HN 0.254 8.503 8.290 -0.068 0.000 0.546 53 S N 5.447 121.023 115.700 -0.206 0.000 2.601 53 S HA 0.223 4.624 4.470 -0.114 0.000 0.244 53 S C -0.421 173.720 174.600 -0.765 0.000 1.001 53 S CA -0.814 57.221 58.200 -0.275 0.000 0.984 53 S CB 0.597 63.757 63.200 -0.068 0.000 0.842 53 S HN 0.265 8.464 8.310 -0.185 0.000 0.474 54 G N -0.199 107.955 108.800 -1.077 0.000 2.697 54 G HA2 -0.093 3.464 3.960 -0.672 0.000 0.684 54 G HA3 -0.093 3.304 3.960 -0.938 0.000 0.684 54 G C -0.595 174.130 174.900 -0.292 0.000 1.274 54 G CA -0.522 44.081 45.100 -0.828 0.000 0.806 54 G HN -0.298 7.431 8.290 -0.826 0.065 0.644 55 L N 3.098 124.239 121.223 -0.136 0.000 2.376 55 L HA -0.132 4.169 4.340 -0.065 0.000 0.219 55 L C 1.382 178.226 176.870 -0.044 0.000 1.133 55 L CA 0.837 55.642 54.840 -0.058 0.000 0.816 55 L CB -0.123 41.934 42.059 -0.003 0.000 0.933 55 L HN 0.622 8.798 8.230 -0.091 0.000 0.449 56 G N -1.593 107.181 108.800 -0.044 0.000 5.045 56 G HA2 -0.461 3.484 3.960 -0.025 0.000 0.229 56 G HA3 -0.461 3.485 3.960 -0.024 0.000 0.229 56 G C -0.275 174.623 174.900 -0.004 0.000 1.440 56 G CA 0.553 45.639 45.100 -0.024 0.000 0.936 56 G HN 0.296 8.522 8.290 -0.054 0.032 0.690 57 S N 3.915 119.614 115.700 -0.001 0.000 2.538 57 S HA 0.576 5.263 4.470 0.009 -0.213 0.288 57 S C -2.034 172.573 174.600 0.011 0.000 1.108 57 S CA -0.898 57.306 58.200 0.006 0.000 0.971 57 S CB 2.372 65.574 63.200 0.004 0.000 1.041 57 S HN -0.352 7.917 8.310 -0.005 0.038 0.483 58 A N 4.978 127.809 122.820 0.019 0.000 2.587 58 A HA 0.391 4.833 4.320 0.019 -0.110 0.293 58 A C -1.636 175.965 177.584 0.028 0.000 1.087 58 A CA -0.982 51.069 52.037 0.023 0.000 0.692 58 A CB 3.060 22.079 19.000 0.031 0.000 1.291 58 A HN 0.257 8.418 8.150 0.020 0.000 0.407 59 T N 4.032 118.602 114.554 0.028 0.000 2.728 59 T HA 0.100 4.473 4.350 0.037 0.000 0.296 59 T C -0.813 173.918 174.700 0.051 0.000 0.940 59 T CA 0.325 62.447 62.100 0.036 0.000 1.013 59 T CB 0.474 69.359 68.868 0.029 0.000 0.912 59 T HN 0.033 8.287 8.240 0.023 0.000 0.484 60 V N 8.311 128.277 119.914 0.086 0.000 2.459 60 V HA 0.825 5.233 4.120 0.106 -0.225 0.295 60 V C -0.094 176.125 176.094 0.210 0.000 1.029 60 V CA -2.405 59.981 62.300 0.144 0.000 0.874 60 V CB 1.993 33.931 31.823 0.193 0.000 0.985 60 V HN 0.442 8.683 8.190 0.085 0.000 0.438 61 T N 0.482 115.106 114.554 0.117 0.000 2.906 61 T HA 0.456 4.847 4.350 0.069 0.000 0.295 61 T C -1.886 172.688 174.700 -0.209 0.000 1.075 61 T CA -2.646 59.459 62.100 0.008 0.000 1.005 61 T CB 3.330 72.198 68.868 -0.001 0.000 1.136 61 T HN 0.222 8.506 8.240 0.073 0.000 0.498 62 A N 1.804 124.351 122.820 -0.456 0.000 2.427 62 A HA 0.894 5.216 4.320 -0.338 -0.205 0.298 62 A C -1.101 176.283 177.584 -0.333 0.000 1.036 62 A CA -1.034 50.691 52.037 -0.520 0.000 0.701 62 A CB 3.028 21.395 19.000 -1.055 0.000 1.250 62 A HN 0.204 8.097 8.150 -0.429 0.000 0.412 63 T N 0.652 115.083 114.554 -0.205 0.000 2.933 63 T HA 0.256 4.520 4.350 -0.144 0.000 0.305 63 T C -1.587 173.050 174.700 -0.104 0.000 1.092 63 T CA -0.806 61.214 62.100 -0.134 0.000 1.008 63 T CB 2.966 71.787 68.868 -0.078 0.000 1.102 63 T HN 0.466 8.600 8.240 -0.177 0.000 0.469 64 Q N 5.674 125.424 119.800 -0.084 0.000 2.290 64 Q HA 0.470 4.968 4.340 -0.018 -0.169 0.259 64 Q C -0.671 175.343 176.000 0.024 0.000 0.941 64 Q CA -0.893 54.890 55.803 -0.033 0.000 0.912 64 Q CB 1.702 30.403 28.738 -0.061 0.000 1.244 64 Q HN 0.395 8.612 8.270 -0.087 0.000 0.441 65 S N 8.457 124.209 115.700 0.087 0.000 2.622 65 S HA 0.259 4.766 4.470 0.063 0.000 0.283 65 S C -0.087 174.616 174.600 0.170 0.000 1.197 65 S CA -0.806 57.452 58.200 0.098 0.000 1.146 65 S CB 0.769 64.012 63.200 0.071 0.000 1.007 65 S HN 0.560 8.946 8.310 0.126 0.000 0.478 66 G N 7.997 116.868 108.800 0.118 0.000 2.596 66 G HA2 -0.472 3.551 3.960 0.105 0.000 0.304 66 G HA3 -0.472 3.525 3.960 0.061 0.000 0.304 66 G C -1.119 173.825 174.900 0.073 0.000 1.189 66 G CA 1.720 46.877 45.100 0.094 0.000 0.986 66 G HN 0.549 8.890 8.290 0.086 0.000 0.548 67 D N 4.370 124.712 120.400 -0.096 0.000 2.325 67 D HA 0.235 4.606 4.640 -0.448 0.000 0.234 67 D C -1.352 174.596 176.300 -0.586 0.000 1.122 67 D CA 0.232 53.953 54.000 -0.464 0.000 0.850 67 D CB -0.261 40.169 40.800 -0.618 0.000 0.921 67 D HN 0.201 8.528 8.370 -0.071 0.000 0.513 68 Y N -2.666 117.725 120.300 0.151 0.000 2.485 68 Y HA 0.779 5.665 4.550 0.219 -0.205 0.345 68 Y C -1.082 174.937 175.900 0.197 0.000 0.998 68 Y CA -1.698 56.500 58.100 0.164 0.000 1.059 68 Y CB 3.918 42.350 38.460 -0.046 0.000 1.234 68 Y HN -0.453 7.880 8.280 0.227 0.083 0.461 69 I N 0.309 121.054 120.570 0.291 0.000 2.509 69 I HA 0.613 4.973 4.170 0.010 -0.184 0.293 69 I C -1.803 174.345 176.117 0.053 0.000 1.020 69 I CA -1.279 60.049 61.300 0.048 0.000 1.088 69 I CB 3.798 41.695 38.000 -0.171 0.000 1.267 69 I HN 0.354 8.774 8.210 0.349 0.000 0.430 70 K N 6.735 127.131 120.400 -0.007 0.000 2.376 70 K HA 0.699 5.212 4.320 0.030 -0.175 0.257 70 K C -1.763 174.833 176.600 -0.006 0.000 0.939 70 K CA -1.803 54.486 56.287 0.003 0.000 0.809 70 K CB 3.523 36.006 32.500 -0.028 0.000 1.121 70 K HN 0.698 8.927 8.250 -0.035 0.000 0.425 71 V N 8.485 128.430 119.914 0.052 0.000 2.398 71 V HA 0.785 5.073 4.120 -0.041 -0.192 0.286 71 V C -0.778 175.373 176.094 0.094 0.000 1.026 71 V CA -2.049 60.274 62.300 0.038 0.000 0.868 71 V CB 1.238 33.114 31.823 0.087 0.000 0.982 71 V HN 0.837 9.087 8.190 0.100 0.000 0.443 72 T N 3.336 117.916 114.554 0.042 0.000 2.841 72 T HA 0.666 5.116 4.350 -0.107 -0.164 0.283 72 T C -1.276 173.397 174.700 -0.044 0.000 1.000 72 T CA -2.393 59.684 62.100 -0.039 0.000 0.977 72 T CB 1.802 70.664 68.868 -0.010 0.000 0.979 72 T HN 0.490 8.739 8.240 0.016 0.000 0.446 73 c N 5.742 124.280 118.600 -0.104 0.000 2.344 73 c HA 0.564 5.329 4.570 0.005 -0.192 0.326 73 c C -1.066 172.989 174.090 -0.060 0.000 1.201 73 c CA -1.002 55.308 56.329 -0.032 0.000 1.410 73 c CB 1.085 43.609 42.510 0.024 0.000 2.070 73 c HN 0.604 8.713 8.230 -0.201 0.000 0.445 74 V N 7.648 127.546 119.914 -0.026 0.000 2.394 74 V HA 0.344 4.449 4.120 -0.025 0.000 0.282 74 V C -0.180 175.921 176.094 0.010 0.000 1.031 74 V CA -0.605 61.687 62.300 -0.013 0.000 0.881 74 V CB 1.202 33.026 31.823 0.001 0.000 0.982 74 V HN 0.635 8.820 8.190 -0.007 0.000 0.451 75 T N 4.438 119.002 114.554 0.017 0.000 2.858 75 T HA 0.369 4.730 4.350 0.018 0.000 0.285 75 T C -0.172 174.545 174.700 0.029 0.000 1.052 75 T CA -2.478 59.633 62.100 0.020 0.000 1.009 75 T CB 2.977 71.852 68.868 0.013 0.000 1.241 75 T HN 0.439 8.692 8.240 0.020 0.000 0.542 76 D N -1.202 119.212 120.400 0.024 0.000 2.116 76 D HA -0.165 4.494 4.640 0.032 0.000 0.193 76 D C 0.883 177.204 176.300 0.036 0.000 0.998 76 D CA 3.039 57.056 54.000 0.028 0.000 0.836 76 D CB 0.136 40.948 40.800 0.020 0.000 0.951 76 D HN 0.431 8.812 8.370 0.018 0.000 0.449 77 T N -5.483 109.086 114.554 0.025 0.000 3.111 77 T HA 0.078 4.446 4.350 0.030 0.000 0.284 77 T C -1.476 173.229 174.700 0.008 0.000 0.983 77 T CA -0.442 61.668 62.100 0.017 0.000 0.900 77 T CB 2.018 70.885 68.868 -0.002 0.000 1.132 77 T HN -0.107 8.143 8.240 0.017 0.000 0.531 78 L N 1.544 122.785 121.223 0.030 0.000 2.493 78 L HA 0.780 5.368 4.340 0.041 -0.223 0.265 78 L C -2.566 174.342 176.870 0.064 0.000 0.954 78 L CA -0.539 54.324 54.840 0.038 0.000 0.844 78 L CB 3.152 45.214 42.059 0.004 0.000 1.302 78 L HN -0.697 7.554 8.230 0.035 0.000 0.405 79 T N 7.826 122.446 114.554 0.110 0.000 2.792 79 T HA 0.677 5.212 4.350 -0.059 -0.220 0.280 79 T C -1.780 172.867 174.700 -0.088 0.000 0.990 79 T CA -0.679 61.406 62.100 -0.026 0.000 0.960 79 T CB 1.769 70.596 68.868 -0.069 0.000 0.939 79 T HN 0.601 8.959 8.240 0.196 0.000 0.439 80 Q N 7.706 127.417 119.800 -0.149 0.000 2.293 80 Q HA 0.393 4.785 4.340 0.087 0.000 0.261 80 Q C -1.852 174.044 176.000 -0.172 0.000 0.960 80 Q CA -1.687 54.098 55.803 -0.031 0.000 0.882 80 Q CB 2.844 31.639 28.738 0.095 0.000 1.275 80 Q HN 0.415 8.598 8.270 -0.145 0.000 0.445 81 Y N 5.344 125.738 120.300 0.157 0.000 2.393 81 Y HA 0.717 5.518 4.550 0.099 -0.191 0.341 81 Y C -0.377 175.577 175.900 0.091 0.000 0.988 81 Y CA -1.938 56.233 58.100 0.119 0.000 1.078 81 Y CB 3.360 41.905 38.460 0.141 0.000 1.203 81 Y HN 0.484 8.949 8.280 0.308 0.000 0.453 82 M N 1.750 121.498 119.600 0.246 0.000 2.321 82 M HA 0.613 5.371 4.480 0.144 -0.192 0.315 82 M C -1.577 174.839 176.300 0.194 0.000 1.052 82 M CA -0.583 54.830 55.300 0.190 0.000 0.936 82 M CB 3.696 36.423 32.600 0.212 0.000 1.639 82 M HN 0.564 8.998 8.290 0.240 0.000 0.433 83 V N 4.408 124.448 119.914 0.209 0.000 2.709 83 V HA 0.995 5.430 4.120 0.145 -0.228 0.308 83 V C -1.687 174.628 176.094 0.369 0.000 1.062 83 V CA -1.600 60.813 62.300 0.189 0.000 0.901 83 V CB 3.100 34.884 31.823 -0.065 0.000 1.003 83 V HN 0.831 9.065 8.190 0.250 0.107 0.425 84 V N -0.553 119.569 119.914 0.346 0.000 2.864 84 V HA 0.560 4.949 4.120 0.449 0.000 0.314 84 V C -2.228 174.087 176.094 0.369 0.000 1.073 84 V CA -3.170 59.364 62.300 0.390 0.000 0.956 84 V CB 3.844 35.876 31.823 0.349 0.000 1.023 84 V HN 0.366 8.727 8.190 0.285 0.000 0.435 85 H N 4.411 123.547 119.070 0.111 0.000 2.505 85 H HA 0.515 4.958 4.556 -0.496 -0.185 0.338 85 H C -0.851 174.267 175.328 -0.350 0.000 1.057 85 H CA -2.518 53.356 56.048 -0.290 0.000 1.202 85 H CB 2.905 32.434 29.762 -0.389 0.000 1.466 85 H HN 0.407 8.880 8.280 0.322 0.000 0.499 86 N N 7.919 125.837 118.700 -1.303 0.000 2.315 86 N HA -0.565 3.551 4.740 -1.290 -0.150 0.270 86 N C 0.869 175.835 175.510 -0.906 0.000 1.329 86 N CA 1.588 53.757 53.050 -1.469 0.000 0.860 86 N CB -0.614 36.737 38.487 -1.893 0.000 1.095 86 N HN 0.122 7.609 8.380 -1.488 0.000 0.487 87 G N 6.717 115.251 108.800 -0.444 0.000 2.201 87 G HA2 -0.393 3.390 3.960 -0.294 0.000 0.212 87 G HA3 -0.393 3.664 3.960 -0.176 -0.202 0.212 87 G C -0.784 174.042 174.900 -0.123 0.000 0.994 87 G CA -0.187 44.761 45.100 -0.253 0.000 0.644 87 G HN 0.688 8.795 8.290 -0.305 0.000 0.508 88 D N 2.121 122.459 120.400 -0.103 0.000 2.278 88 D HA 0.486 5.113 4.640 -0.022 0.000 0.245 88 D C -1.711 174.551 176.300 -0.063 0.000 1.052 88 D CA -2.555 51.427 54.000 -0.029 0.000 0.834 88 D CB 1.195 42.048 40.800 0.088 0.000 1.194 88 D HN -0.388 7.893 8.370 -0.149 0.000 0.481 89 P HA 0.156 4.558 4.420 -0.029 0.000 0.218 89 P C -2.286 174.862 177.300 -0.253 0.000 1.793 89 P CA -0.164 62.857 63.100 -0.131 0.000 0.941 89 P CB -1.462 30.207 31.700 -0.053 0.000 1.919 90 I N -0.968 119.484 120.570 -0.196 0.000 2.569 90 I HA 0.483 4.691 4.170 -0.221 -0.171 0.290 90 I C -0.739 175.259 176.117 -0.199 0.000 1.088 90 I CA -1.560 59.575 61.300 -0.276 0.000 1.047 90 I CB 4.566 42.281 38.000 -0.474 0.000 1.237 90 I HN -0.441 7.649 8.210 -0.110 0.054 0.421 91 I N 6.629 127.099 120.570 -0.167 0.000 2.307 91 I HA 0.182 4.293 4.170 -0.097 0.000 0.287 91 I C -0.830 175.156 176.117 -0.218 0.000 1.054 91 I CA -0.973 60.213 61.300 -0.190 0.000 1.218 91 I CB -0.102 37.688 38.000 -0.350 0.000 1.398 91 I HN 0.418 8.582 8.210 -0.076 0.000 0.475 92 H N 7.886 127.001 119.070 0.075 0.000 2.582 92 H HA 0.378 5.059 4.556 -0.002 -0.126 0.345 92 H C -0.688 174.647 175.328 0.012 0.000 1.104 92 H CA -0.165 55.945 56.048 0.104 0.000 1.390 92 H CB 1.359 31.372 29.762 0.418 0.000 1.461 92 H HN 0.225 8.569 8.280 0.107 0.000 0.551 93 M N 0.320 119.843 119.600 -0.128 0.000 2.593 93 M HA 0.697 5.352 4.480 -0.023 -0.189 0.290 93 M C -2.114 174.037 176.300 -0.248 0.000 1.244 93 M CA -0.873 54.216 55.300 -0.353 0.000 0.857 93 M CB 5.815 37.772 32.600 -1.071 0.000 1.738 93 M HN 0.824 8.967 8.290 -0.245 0.000 0.461 94 A N -1.797 121.106 122.820 0.138 0.000 2.604 94 A HA 0.788 5.516 4.320 0.488 -0.116 0.295 94 A C -2.242 175.671 177.584 0.549 0.000 1.067 94 A CA -0.554 51.722 52.037 0.398 0.000 0.683 94 A CB 4.015 23.228 19.000 0.354 0.000 1.281 94 A HN 0.307 8.605 8.150 0.246 0.000 0.407 95 T N 2.893 117.788 114.554 0.569 0.000 2.890 95 T HA 0.563 5.288 4.350 0.405 -0.133 0.295 95 T C -2.018 172.939 174.700 0.428 0.000 0.993 95 T CA -0.429 61.934 62.100 0.439 0.000 0.979 95 T CB 2.085 71.150 68.868 0.328 0.000 0.967 95 T HN 0.192 8.780 8.240 0.580 0.000 0.441 96 Y N 10.201 130.669 120.300 0.280 0.000 2.353 96 Y HA 0.363 5.268 4.550 0.290 -0.181 0.340 96 Y C -2.358 173.636 175.900 0.156 0.000 0.972 96 Y CA -1.694 56.561 58.100 0.258 0.000 1.157 96 Y CB 1.770 40.415 38.460 0.307 0.000 1.157 96 Y HN 0.749 9.309 8.280 0.467 0.000 0.495 97 I N 1.604 121.972 120.570 -0.337 0.000 2.530 97 I HA 0.941 5.162 4.170 -0.207 -0.176 0.297 97 I C -0.698 175.153 176.117 -0.442 0.000 1.011 97 I CA -2.528 58.594 61.300 -0.297 0.000 1.107 97 I CB 3.731 41.631 38.000 -0.167 0.000 1.285 97 I HN 0.205 8.238 8.210 -0.295 0.000 0.436 98 T N 0.943 115.348 114.554 -0.248 0.000 3.044 98 T HA 0.207 4.450 4.350 -0.179 0.000 0.260 98 T C -0.472 174.193 174.700 -0.059 0.000 1.019 98 T CA -1.025 60.988 62.100 -0.145 0.000 0.921 98 T CB 0.529 69.367 68.868 -0.050 0.000 1.053 98 T HN 0.469 8.612 8.240 -0.163 0.000 0.533 99 A N 0.612 123.398 122.820 -0.055 0.000 2.594 99 A HA 0.185 4.503 4.320 -0.003 0.000 0.295 99 A C -2.372 175.192 177.584 -0.034 0.000 1.071 99 A CA -0.956 51.069 52.037 -0.020 0.000 0.685 99 A CB 2.126 21.123 19.000 -0.005 0.000 1.285 99 A HN -0.907 7.198 8.150 -0.075 0.000 0.405 100 E N 1.398 121.598 120.200 -0.001 0.000 2.384 100 E HA 0.066 4.353 4.350 -0.106 0.000 0.266 100 E C -1.314 175.263 176.600 -0.040 0.000 1.012 100 E CA -1.957 54.423 56.400 -0.033 0.000 0.901 100 E CB 0.737 30.489 29.700 0.085 0.000 0.967 100 E HN 0.160 8.541 8.360 0.035 0.000 0.435 101 P HA -0.002 4.389 4.420 -0.048 0.000 0.268 101 P C 0.916 178.202 177.300 -0.022 0.000 1.208 101 P CA 0.099 63.164 63.100 -0.059 0.000 0.777 101 P CB 0.545 32.192 31.700 -0.088 0.000 0.875 102 S N 0.863 116.557 115.700 -0.011 0.000 2.419 102 S HA -0.374 4.105 4.470 0.014 0.000 0.235 102 S C 1.077 175.687 174.600 0.017 0.000 1.019 102 S CA 2.537 60.741 58.200 0.007 0.000 0.982 102 S CB -0.241 62.961 63.200 0.004 0.000 0.789 102 S HN 0.440 8.740 8.310 -0.017 0.000 0.490 103 I N -0.526 120.049 120.570 0.008 0.000 2.756 103 I HA -0.177 4.012 4.170 0.032 0.000 0.262 103 I C 0.147 176.290 176.117 0.043 0.000 1.225 103 I CA -0.239 61.076 61.300 0.025 0.000 1.472 103 I CB 0.249 38.261 38.000 0.020 0.000 1.094 103 I HN -0.615 7.574 8.210 -0.006 0.017 0.454 104 G N -0.717 108.108 108.800 0.042 0.000 2.132 104 G HA2 -0.348 3.690 3.960 0.130 0.000 0.228 104 G HA3 -0.348 3.709 3.960 0.162 0.000 0.228 104 G C -1.922 173.021 174.900 0.071 0.000 1.000 104 G CA -0.137 45.030 45.100 0.111 0.000 0.693 104 G HN -0.367 7.906 8.290 0.019 0.028 0.515 105 E N -3.992 116.167 120.200 -0.068 0.000 2.430 105 E HA 0.585 4.951 4.350 -0.300 -0.196 0.279 105 E C -2.219 174.244 176.600 -0.228 0.000 1.003 105 E CA -2.067 54.235 56.400 -0.164 0.000 0.801 105 E CB 3.884 33.579 29.700 -0.009 0.000 1.313 105 E HN -0.654 7.668 8.360 -0.064 0.000 0.459 106 L N 1.361 122.402 121.223 -0.304 0.000 2.406 106 L HA 0.391 4.563 4.340 -0.280 0.000 0.270 106 L C -2.400 174.251 176.870 -0.365 0.000 0.982 106 L CA -0.593 54.040 54.840 -0.345 0.000 0.843 106 L CB 2.828 44.587 42.059 -0.501 0.000 1.225 106 L HN 0.319 8.443 8.230 -0.300 -0.074 0.412 107 R N 3.532 123.832 120.500 -0.333 0.000 2.774 107 R HA 0.676 4.921 4.340 -0.441 -0.170 0.272 107 R C -2.327 173.907 176.300 -0.110 0.000 1.000 107 R CA -2.024 53.831 56.100 -0.407 0.000 0.906 107 R CB 3.550 33.322 30.300 -0.880 0.000 1.227 107 R HN -0.318 7.800 8.270 -0.254 0.000 0.468 108 F N 2.544 122.431 119.950 -0.106 0.000 2.458 108 F HA 0.509 5.234 4.527 0.098 -0.139 0.336 108 F C -2.246 173.614 175.800 0.100 0.000 1.114 108 F CA -1.452 56.601 58.000 0.087 0.000 0.987 108 F CB 3.777 42.942 39.000 0.276 0.000 1.130 108 F HN 0.159 8.526 8.300 0.112 0.000 0.458 109 I N 6.958 127.132 120.570 -0.659 0.000 2.447 109 I HA 0.596 4.675 4.170 -0.409 -0.154 0.287 109 I C -2.886 172.784 176.117 -0.744 0.000 1.023 109 I CA -2.381 58.591 61.300 -0.547 0.000 1.083 109 I CB 3.964 41.749 38.000 -0.358 0.000 1.245 109 I HN 0.506 8.155 8.210 -0.936 0.000 0.434 110 A N 9.044 131.651 122.820 -0.355 0.000 2.252 110 A HA 0.393 4.569 4.320 -0.239 0.000 0.309 110 A C -1.600 175.839 177.584 -0.241 0.000 1.285 110 A CA -1.791 50.138 52.037 -0.180 0.000 0.900 110 A CB 1.056 20.120 19.000 0.106 0.000 1.157 110 A HN 0.839 8.861 8.150 -0.212 0.000 0.536 111 R N 5.316 125.629 120.500 -0.312 0.000 2.233 111 R HA 0.237 4.372 4.340 -0.341 0.000 0.334 111 R C -1.349 174.864 176.300 -0.146 0.000 1.037 111 R CA -0.928 54.928 56.100 -0.407 0.000 0.920 111 R CB 0.148 29.945 30.300 -0.839 0.000 1.137 111 R HN 0.104 8.174 8.270 -0.334 0.000 0.492 112 L N 2.506 123.725 121.223 -0.006 0.000 2.319 112 L HA 0.624 5.141 4.340 0.084 -0.128 0.267 112 L C -0.799 176.143 176.870 0.121 0.000 1.011 112 L CA -2.291 52.593 54.840 0.074 0.000 0.818 112 L CB 3.464 45.569 42.059 0.076 0.000 1.316 112 L HN 0.299 8.543 8.230 0.023 0.000 0.432 113 N N 0.513 119.288 118.700 0.125 0.000 2.414 113 N HA -0.179 4.668 4.740 0.179 0.000 0.268 113 N C 0.335 175.906 175.510 0.101 0.000 1.286 113 N CA 0.986 54.116 53.050 0.132 0.000 0.896 113 N CB 0.951 39.498 38.487 0.101 0.000 1.093 113 N HN 0.081 8.527 8.380 0.110 0.000 0.480 114 S N 5.539 121.295 115.700 0.093 0.000 2.527 114 S HA 0.010 4.680 4.470 0.058 -0.164 0.222 114 S C 1.006 175.640 174.600 0.058 0.000 0.985 114 S CA 1.441 59.675 58.200 0.057 0.000 0.921 114 S CB 0.431 63.639 63.200 0.013 0.000 0.772 114 S HN 0.662 9.036 8.310 0.106 0.000 0.529 115 D N 3.396 123.838 120.400 0.070 0.000 2.149 115 D HA -0.144 4.531 4.640 0.058 0.000 0.201 115 D C 1.122 177.471 176.300 0.082 0.000 0.972 115 D CA 2.504 56.545 54.000 0.068 0.000 0.835 115 D CB -0.148 40.694 40.800 0.069 0.000 0.966 115 D HN -0.517 8.057 8.370 0.079 -0.157 0.476 116 L N -4.509 116.770 121.223 0.094 0.000 2.270 116 L HA -0.103 4.324 4.340 0.146 0.000 0.210 116 L C -0.339 176.612 176.870 0.134 0.000 1.104 116 L CA 1.359 56.275 54.840 0.126 0.000 0.804 116 L CB 0.839 42.959 42.059 0.103 0.000 0.937 116 L HN -0.521 8.024 8.230 0.088 -0.262 0.450 117 L N -5.116 116.167 121.223 0.100 0.000 2.594 117 L HA 0.496 4.914 4.340 0.103 -0.016 0.245 117 L C -1.868 175.044 176.870 0.070 0.000 1.460 117 L CA -2.183 52.713 54.840 0.092 0.000 0.865 117 L CB 0.446 42.556 42.059 0.086 0.000 1.131 117 L HN -0.594 7.689 8.230 0.088 0.000 0.506 118 P HA 0.108 4.625 4.420 0.038 -0.074 0.235 118 P C -0.669 176.658 177.300 0.045 0.000 1.177 118 P CA 0.468 63.596 63.100 0.046 0.000 0.785 118 P CB 0.752 32.478 31.700 0.044 0.000 0.885 119 N N -0.564 118.168 118.700 0.054 0.000 2.472 119 N HA 0.206 4.978 4.740 0.054 0.000 0.289 119 N C -1.256 174.293 175.510 0.065 0.000 1.156 119 N CA -1.441 51.642 53.050 0.055 0.000 0.940 119 N CB 2.348 40.865 38.487 0.050 0.000 1.200 119 N HN -0.244 8.133 8.380 0.058 0.038 0.511 120 E N -0.203 120.042 120.200 0.076 0.000 2.234 120 E HA 0.401 4.934 4.350 0.100 -0.123 0.266 120 E C -1.519 175.133 176.600 0.087 0.000 0.877 120 E CA -0.930 55.529 56.400 0.099 0.000 0.758 120 E CB 2.740 32.516 29.700 0.126 0.000 1.170 120 E HN 0.202 8.607 8.360 0.074 0.000 0.415 121 E N 3.212 123.457 120.200 0.075 0.000 2.248 121 E HA 0.483 4.820 4.350 -0.020 0.000 0.267 121 E C -1.665 174.922 176.600 -0.023 0.000 0.877 121 E CA -3.251 53.154 56.400 0.008 0.000 0.759 121 E CB 1.747 31.446 29.700 -0.000 0.000 1.182 121 E HN 0.382 8.800 8.360 0.097 0.000 0.418 122 P HA 0.156 4.458 4.420 -0.197 0.000 0.261 122 P C -1.186 175.876 177.300 -0.396 0.000 1.268 122 P CA 1.122 64.000 63.100 -0.370 0.000 0.833 122 P CB 0.124 31.502 31.700 -0.536 0.000 1.231 123 F N -0.678 119.321 119.950 0.083 0.000 2.749 123 F HA 0.230 4.798 4.527 0.069 0.000 0.300 123 F C 1.017 176.859 175.800 0.070 0.000 1.103 123 F CA -0.352 57.694 58.000 0.077 0.000 1.342 123 F CB -0.023 39.031 39.000 0.090 0.000 1.098 123 F HN -0.513 7.759 8.300 -0.048 0.000 0.586 124 G N 0.197 109.103 108.800 0.178 0.000 2.525 124 G HA2 -0.438 3.593 3.960 0.118 0.000 0.248 124 G HA3 -0.438 3.688 3.960 0.099 -0.107 0.248 124 G C -0.560 174.425 174.900 0.142 0.000 1.238 124 G CA 0.344 45.522 45.100 0.131 0.000 0.926 124 G HN -0.496 7.876 8.290 0.136 0.000 0.574 125 D N 2.019 122.486 120.400 0.111 0.000 2.324 125 D HA -0.098 4.597 4.640 0.092 0.000 0.235 125 D C 1.817 178.187 176.300 0.116 0.000 1.095 125 D CA 0.439 54.497 54.000 0.096 0.000 0.871 125 D CB -1.097 39.744 40.800 0.068 0.000 0.906 125 D HN 0.307 8.737 8.370 0.099 0.000 0.522 126 V N -4.404 115.602 119.914 0.154 0.000 2.759 126 V HA -0.230 3.996 4.120 0.176 0.000 0.256 126 V C -0.039 176.197 176.094 0.237 0.000 1.080 126 V CA 2.531 64.948 62.300 0.195 0.000 1.101 126 V CB -1.033 30.905 31.823 0.192 0.000 0.698 126 V HN -0.601 7.619 8.190 0.166 0.069 0.477 127 S N -3.893 111.913 115.700 0.176 0.000 2.572 127 S HA 0.229 4.872 4.470 0.103 -0.111 0.228 127 S C -0.443 174.194 174.600 0.062 0.000 0.963 127 S CA -1.353 56.916 58.200 0.116 0.000 0.939 127 S CB 0.462 63.728 63.200 0.110 0.000 0.804 127 S HN -0.691 7.697 8.310 0.170 0.024 0.480 128 T N 5.735 120.323 114.554 0.056 0.000 2.723 128 T HA 0.233 4.778 4.350 -0.021 -0.207 0.297 128 T C -0.144 174.530 174.700 -0.044 0.000 0.925 128 T CA 1.659 63.759 62.100 -0.000 0.000 1.030 128 T CB 0.530 69.406 68.868 0.013 0.000 0.905 128 T HN -0.484 7.623 8.240 0.081 0.182 0.502 129 T N 4.253 118.718 114.554 -0.147 0.000 3.054 129 T HA 0.143 4.375 4.350 -0.197 0.000 0.255 129 T C -0.229 174.242 174.700 -0.382 0.000 1.035 129 T CA -1.725 60.190 62.100 -0.308 0.000 0.941 129 T CB -0.055 68.466 68.868 -0.577 0.000 1.026 129 T HN 0.270 8.411 8.240 -0.164 0.000 0.533 130 A N 1.515 124.186 122.820 -0.248 0.000 2.584 130 A HA -0.303 4.017 4.320 -0.246 -0.147 0.239 130 A C -0.894 176.600 177.584 -0.150 0.000 1.043 130 A CA 1.592 53.507 52.037 -0.204 0.000 0.756 130 A CB -0.134 18.785 19.000 -0.136 0.000 0.963 130 A HN -0.728 7.304 8.150 -0.197 0.000 0.511 131 D N -1.777 118.542 120.400 -0.135 0.000 3.079 131 D HA -0.317 4.288 4.640 -0.059 0.000 0.214 131 D C 0.122 176.390 176.300 -0.053 0.000 1.145 131 D CA 1.465 55.421 54.000 -0.073 0.000 0.958 131 D CB -0.900 39.876 40.800 -0.040 0.000 1.117 131 D HN 0.503 8.784 8.370 -0.148 0.000 0.416 132 G N -2.276 106.455 108.800 -0.116 0.000 2.448 132 G HA2 0.259 4.258 3.960 -0.053 0.000 0.285 132 G HA3 0.259 4.419 3.960 0.052 -0.169 0.285 132 G C -0.960 174.059 174.900 0.198 0.000 1.176 132 G CA -0.287 44.816 45.100 0.005 0.000 0.852 132 G HN -0.398 7.707 8.290 -0.230 0.047 0.530 133 T N 4.754 119.468 114.554 0.267 0.000 2.794 133 T HA 0.149 4.651 4.350 0.254 0.000 0.280 133 T C -0.860 173.968 174.700 0.212 0.000 0.987 133 T CA -0.382 61.861 62.100 0.240 0.000 0.993 133 T CB 2.029 70.958 68.868 0.101 0.000 0.939 133 T HN -0.005 8.360 8.240 0.208 0.000 0.449 134 A N 7.553 130.401 122.820 0.047 0.000 2.520 134 A HA -0.014 3.949 4.320 -0.864 -0.162 0.245 134 A C 0.016 177.449 177.584 -0.251 0.000 1.072 134 A CA 0.470 52.256 52.037 -0.419 0.000 0.761 134 A CB 0.069 18.805 19.000 -0.441 0.000 1.004 134 A HN 0.617 8.834 8.150 0.111 0.000 0.499 135 I N -3.245 117.134 120.570 -0.318 0.000 4.181 135 I HA 0.301 4.366 4.170 -0.174 0.000 0.331 135 I C 0.188 176.149 176.117 -0.259 0.000 1.312 135 I CA 0.374 61.529 61.300 -0.242 0.000 1.146 135 I CB 1.701 39.555 38.000 -0.244 0.000 1.074 135 I HN 0.485 8.442 8.210 -0.422 0.000 0.402 136 E N 0.760 120.772 120.200 -0.313 0.000 2.307 136 E HA 0.178 4.427 4.350 -0.169 0.000 0.280 136 E C -0.724 175.735 176.600 -0.234 0.000 0.900 136 E CA -0.545 55.717 56.400 -0.230 0.000 0.790 136 E CB 2.730 32.309 29.700 -0.202 0.000 1.261 136 E HN -0.654 7.468 8.360 -0.397 0.000 0.405 137 G N 6.475 115.184 108.800 -0.153 0.000 2.627 137 G HA2 -0.293 3.606 3.960 -0.102 0.000 0.312 137 G HA3 -0.293 3.619 3.960 -0.080 0.000 0.312 137 G C -1.020 173.777 174.900 -0.171 0.000 1.299 137 G CA 1.069 46.097 45.100 -0.120 0.000 0.989 137 G HN 0.220 8.439 8.290 -0.118 0.000 0.547 138 S N 2.449 118.070 115.700 -0.132 0.000 2.664 138 S HA 0.135 4.457 4.470 -0.246 0.000 0.245 138 S C -0.857 173.658 174.600 -0.143 0.000 1.019 138 S CA -0.273 57.842 58.200 -0.141 0.000 0.996 138 S CB 0.932 64.144 63.200 0.020 0.000 0.878 138 S HN -0.029 8.235 8.310 -0.076 0.000 0.493 139 D N -1.798 118.467 120.400 -0.224 0.000 2.520 139 D HA 0.287 5.041 4.640 0.191 0.000 0.223 139 D C -2.033 174.210 176.300 -0.094 0.000 1.186 139 D CA -0.170 53.821 54.000 -0.016 0.000 0.821 139 D CB 1.229 42.107 40.800 0.130 0.000 1.072 139 D HN -0.394 7.759 8.370 -0.270 0.055 0.518 140 V N -1.394 118.282 119.914 -0.397 0.000 2.656 140 V HA 0.546 4.774 4.120 -0.081 -0.156 0.307 140 V C -1.948 173.833 176.094 -0.520 0.000 1.051 140 V CA -1.110 61.020 62.300 -0.284 0.000 0.893 140 V CB 2.292 33.976 31.823 -0.231 0.000 0.999 140 V HN -0.686 7.190 8.190 -0.524 0.000 0.426 141 F N 4.098 124.004 119.950 -0.073 0.000 2.613 141 F HA 0.571 5.223 4.527 -0.061 -0.161 0.314 141 F C -1.484 174.296 175.800 -0.032 0.000 1.075 141 F CA -1.687 56.282 58.000 -0.051 0.000 0.945 141 F CB 4.964 43.946 39.000 -0.030 0.000 1.310 141 F HN 0.606 9.015 8.300 0.181 0.000 0.467 142 L N -0.020 121.305 121.223 0.168 0.000 2.272 142 L HA 0.424 4.994 4.340 0.101 -0.169 0.289 142 L C -1.110 175.829 176.870 0.115 0.000 1.032 142 L CA -0.717 54.188 54.840 0.109 0.000 0.810 142 L CB 2.024 44.116 42.059 0.055 0.000 1.205 142 L HN 0.566 8.893 8.230 0.161 0.000 0.422 143 V N 4.175 124.142 119.914 0.089 0.000 2.313 143 V HA 0.265 4.412 4.120 0.046 0.000 0.278 143 V C 0.494 176.614 176.094 0.043 0.000 1.017 143 V CA -1.562 60.769 62.300 0.053 0.000 0.823 143 V CB -0.316 31.528 31.823 0.035 0.000 1.010 143 V HN 0.182 8.428 8.190 0.093 0.000 0.443 144 G N 8.433 117.254 108.800 0.035 0.000 2.596 144 G HA2 -0.393 3.584 3.960 0.028 0.000 0.304 144 G HA3 -0.393 3.583 3.960 0.026 0.000 0.304 144 G C -0.592 174.328 174.900 0.033 0.000 1.189 144 G CA 1.622 46.739 45.100 0.030 0.000 0.986 144 G HN 0.539 8.848 8.290 0.033 0.000 0.548 145 S N 4.420 120.139 115.700 0.031 0.000 2.554 145 S HA 0.082 4.571 4.470 0.032 0.000 0.226 145 S C -0.428 174.195 174.600 0.038 0.000 0.980 145 S CA -0.542 57.677 58.200 0.032 0.000 0.939 145 S CB 0.623 63.838 63.200 0.025 0.000 0.832 145 S HN 0.114 8.442 8.310 0.029 0.000 0.486 146 E N 2.106 122.334 120.200 0.046 0.000 2.175 146 E HA 0.270 4.650 4.350 0.050 0.000 0.278 146 E C -0.550 176.101 176.600 0.085 0.000 0.969 146 E CA -1.445 54.989 56.400 0.057 0.000 0.796 146 E CB 2.027 31.759 29.700 0.054 0.000 1.104 146 E HN -0.676 7.658 8.360 0.046 0.054 0.395 147 T N 2.991 117.606 114.554 0.100 0.000 2.907 147 T HA 0.488 5.120 4.350 0.135 -0.201 0.298 147 T C -0.163 174.693 174.700 0.260 0.000 1.017 147 T CA -0.303 61.892 62.100 0.158 0.000 1.118 147 T CB 0.962 69.931 68.868 0.168 0.000 0.948 147 T HN 0.257 8.858 8.240 0.084 -0.310 0.531 148 R N 0.636 121.321 120.500 0.309 0.000 2.668 148 R HA 0.705 5.441 4.340 0.418 -0.145 0.272 148 R C -1.824 174.584 176.300 0.181 0.000 1.019 148 R CA -1.854 54.432 56.100 0.311 0.000 0.894 148 R CB 4.742 35.152 30.300 0.184 0.000 1.228 148 R HN 0.333 8.764 8.270 0.269 0.000 0.460 149 S N -1.046 114.622 115.700 -0.054 0.000 2.542 149 S HA 0.411 4.890 4.470 0.014 0.000 0.276 149 S C -0.091 174.390 174.600 -0.198 0.000 1.148 149 S CA -1.356 56.691 58.200 -0.256 0.000 0.886 149 S CB 2.118 64.829 63.200 -0.815 0.000 1.109 149 S HN -0.209 8.129 8.310 0.046 0.000 0.458 150 A N 8.720 131.485 122.820 -0.091 0.000 1.986 150 A HA -0.173 4.110 4.320 -0.061 0.000 0.220 150 A C 1.672 179.098 177.584 -0.263 0.000 1.171 150 A CA 2.849 54.797 52.037 -0.147 0.000 0.640 150 A CB -0.138 18.737 19.000 -0.209 0.000 0.811 150 A HN 0.890 9.030 8.150 -0.016 0.000 0.451 151 F N -3.481 116.261 119.950 -0.347 0.000 2.365 151 F HA -0.299 4.064 4.527 -0.272 0.000 0.300 151 F C 1.760 177.471 175.800 -0.149 0.000 1.090 151 F CA 3.164 60.974 58.000 -0.317 0.000 1.408 151 F CB -0.107 38.662 39.000 -0.384 0.000 1.060 151 F HN -0.713 7.522 8.300 -0.073 0.022 0.534 152 Y N -3.541 116.803 120.300 0.073 0.000 2.529 152 Y HA 0.201 4.718 4.550 -0.055 0.000 0.290 152 Y C 1.672 177.520 175.900 -0.088 0.000 1.177 152 Y CA -2.159 55.929 58.100 -0.019 0.000 1.305 152 Y CB -1.657 36.810 38.460 0.012 0.000 1.047 152 Y HN -0.321 7.676 8.280 -0.233 0.144 0.522 153 S N -0.806 114.944 115.700 0.084 0.000 2.593 153 S HA -0.045 4.566 4.470 0.235 0.000 0.217 153 S C 0.169 174.811 174.600 0.069 0.000 0.966 153 S CA 0.276 58.555 58.200 0.131 0.000 0.914 153 S CB -0.451 62.839 63.200 0.149 0.000 0.776 153 S HN -0.516 7.769 8.310 0.051 0.056 0.523 154 S N 2.124 117.798 115.700 -0.044 0.000 2.603 154 S HA 0.001 4.625 4.470 0.056 -0.121 0.268 154 S C -1.040 173.563 174.600 0.005 0.000 1.317 154 S CA 0.262 58.461 58.200 -0.002 0.000 1.012 154 S CB 1.626 64.810 63.200 -0.026 0.000 0.926 154 S HN -0.609 7.611 8.310 -0.044 0.064 0.539 155 E N 1.324 121.617 120.200 0.156 0.000 2.366 155 E HA 0.170 4.619 4.350 0.166 0.000 0.278 155 E C -1.748 174.974 176.600 0.204 0.000 0.923 155 E CA -1.867 54.674 56.400 0.236 0.000 0.761 155 E CB 3.625 33.590 29.700 0.442 0.000 1.231 155 E HN 0.098 8.573 8.360 0.192 0.000 0.443 156 R N 4.387 124.975 120.500 0.147 0.000 2.537 156 R HA -0.232 4.221 4.340 -0.051 -0.144 0.281 156 R C 1.375 177.780 176.300 0.175 0.000 0.988 156 R CA 1.308 57.453 56.100 0.074 0.000 1.077 156 R CB -0.147 30.218 30.300 0.109 0.000 0.932 156 R HN 0.475 8.839 8.270 0.157 0.000 0.409 157 F N 4.604 124.446 119.950 -0.181 0.000 2.171 157 F HA -0.127 4.270 4.527 -0.217 0.000 0.300 157 F C 2.639 178.221 175.800 -0.362 0.000 1.090 157 F CA 0.284 58.063 58.000 -0.368 0.000 1.293 157 F CB -0.612 38.056 39.000 -0.553 0.000 1.013 157 F HN 0.466 8.747 8.300 -0.030 0.000 0.486 158 I N -1.101 119.284 120.570 -0.308 0.000 2.423 158 I HA -0.417 3.744 4.170 -0.015 0.000 0.254 158 I C -0.046 176.150 176.117 0.131 0.000 1.151 158 I CA 2.619 63.775 61.300 -0.241 0.000 1.421 158 I CB 0.030 37.614 38.000 -0.693 0.000 1.079 158 I HN -0.376 7.552 8.210 -0.470 0.000 0.431 159 D N -3.950 116.555 120.400 0.176 0.000 2.402 159 D HA 0.136 4.949 4.640 0.288 0.000 0.216 159 D C -1.111 175.352 176.300 0.271 0.000 1.128 159 D CA 0.143 54.298 54.000 0.259 0.000 0.833 159 D CB 0.729 41.688 40.800 0.265 0.000 0.971 159 D HN -0.483 7.827 8.370 0.140 0.144 0.503 160 D N 0.379 120.957 120.400 0.297 0.000 2.683 160 D HA 0.303 5.157 4.640 0.356 0.000 0.309 160 D C -0.667 175.848 176.300 0.357 0.000 1.238 160 D CA -1.311 52.914 54.000 0.374 0.000 0.936 160 D CB -0.635 40.466 40.800 0.501 0.000 1.001 160 D HN -0.651 7.779 8.370 0.269 0.101 0.505 161 Q N -0.666 119.283 119.800 0.249 0.000 2.354 161 Q HA 0.020 4.654 4.340 0.173 -0.190 0.203 161 Q C -0.205 175.814 176.000 0.032 0.000 0.933 161 Q CA 0.804 56.698 55.803 0.153 0.000 0.901 161 Q CB 1.253 30.072 28.738 0.135 0.000 1.007 161 Q HN -0.075 8.331 8.270 0.227 0.000 0.495 162 R N -2.108 118.425 120.500 0.055 0.000 2.548 162 R HA 0.866 5.379 4.340 -0.141 -0.257 0.280 162 R C -1.767 174.567 176.300 0.057 0.000 1.061 162 R CA -0.814 55.264 56.100 -0.036 0.000 0.915 162 R CB 2.685 32.964 30.300 -0.035 0.000 1.210 162 R HN -0.520 7.825 8.270 0.125 0.000 0.442 163 H N 1.139 120.237 119.070 0.047 0.000 3.012 163 H HA 0.455 5.028 4.556 0.028 0.000 0.367 163 H C -3.206 172.148 175.328 0.043 0.000 1.211 163 H CA -1.490 54.595 56.048 0.062 0.000 1.139 163 H CB 2.311 32.164 29.762 0.151 0.000 1.838 163 H HN -0.226 7.824 8.280 -0.383 0.000 0.550 164 c N -2.087 116.620 118.600 0.180 0.000 3.171 164 c HA 0.874 5.613 4.570 0.052 -0.137 0.308 164 c C -1.280 172.872 174.090 0.102 0.000 1.334 164 c CA -1.270 55.108 56.329 0.081 0.000 1.473 164 c CB 4.260 46.776 42.510 0.010 0.000 1.866 164 c HN 0.323 8.670 8.230 0.195 0.000 0.465 165 I N -4.909 115.697 120.570 0.060 0.000 2.740 165 I HA 1.016 5.367 4.170 0.072 -0.138 0.303 165 I C -2.386 173.756 176.117 0.042 0.000 1.044 165 I CA -2.600 58.736 61.300 0.061 0.000 1.064 165 I CB 3.979 42.019 38.000 0.067 0.000 1.249 165 I HN 0.367 8.595 8.210 0.030 0.000 0.433 166 A N 0.235 123.088 122.820 0.056 0.000 2.608 166 A HA 0.701 5.178 4.320 0.075 -0.112 0.292 166 A C -2.337 175.293 177.584 0.078 0.000 1.066 166 A CA -0.627 51.448 52.037 0.064 0.000 0.676 166 A CB 3.555 22.581 19.000 0.043 0.000 1.277 166 A HN 0.202 8.388 8.150 0.060 0.000 0.413 167 G N -0.685 108.174 108.800 0.099 0.000 3.135 167 G HA2 0.362 4.608 3.960 0.118 0.000 0.278 167 G HA3 0.362 4.368 3.960 0.077 0.000 0.278 167 G C -1.919 173.028 174.900 0.078 0.000 1.302 167 G CA -0.534 44.623 45.100 0.096 0.000 0.880 167 G HN 0.248 8.608 8.290 0.117 0.000 0.574 168 D N -3.489 116.954 120.400 0.071 0.000 2.349 168 D HA -0.027 4.630 4.640 0.028 0.000 0.224 168 D C 0.344 176.648 176.300 0.007 0.000 1.029 168 D CA 1.128 55.150 54.000 0.038 0.000 0.879 168 D CB -0.204 40.617 40.800 0.035 0.000 0.906 168 D HN 0.264 8.683 8.370 0.082 0.000 0.528 169 A N -2.999 119.825 122.820 0.007 0.000 2.548 169 A HA 0.351 4.570 4.320 -0.168 0.000 0.236 169 A C -2.077 175.237 177.584 -0.449 0.000 1.246 169 A CA -0.280 51.651 52.037 -0.177 0.000 0.993 169 A CB 1.988 20.901 19.000 -0.145 0.000 1.209 169 A HN 0.006 8.155 8.150 0.078 0.048 0.570 170 H N -3.477 115.666 119.070 0.122 0.000 3.012 170 H HA 0.680 5.607 4.556 0.188 -0.257 0.367 170 H C -2.219 173.152 175.328 0.072 0.000 1.211 170 H CA -0.913 55.226 56.048 0.150 0.000 1.139 170 H CB 4.346 34.235 29.762 0.212 0.000 1.838 170 H HN -0.394 7.976 8.280 0.149 0.000 0.550 171 R N 0.431 121.020 120.500 0.148 0.000 2.604 171 R HA 0.553 5.060 4.340 0.054 -0.135 0.281 171 R C -2.800 173.467 176.300 -0.056 0.000 1.020 171 R CA -0.953 55.174 56.100 0.045 0.000 0.899 171 R CB 3.773 34.083 30.300 0.017 0.000 1.205 171 R HN 0.440 8.795 8.270 0.142 0.000 0.450 172 V N 5.519 125.358 119.914 -0.124 0.000 2.531 172 V HA 0.803 4.855 4.120 -0.475 -0.217 0.301 172 V C -1.643 174.325 176.094 -0.210 0.000 1.034 172 V CA -1.391 60.708 62.300 -0.335 0.000 0.865 172 V CB 2.959 34.512 31.823 -0.450 0.000 0.995 172 V HN 0.314 8.461 8.190 -0.070 0.000 0.424 173 c N 6.375 124.846 118.600 -0.216 0.000 2.507 173 c HA 0.612 5.261 4.570 -0.109 -0.145 0.319 173 c C -0.915 173.076 174.090 -0.165 0.000 1.208 173 c CA -1.506 54.737 56.329 -0.142 0.000 1.619 173 c CB 3.831 46.268 42.510 -0.122 0.000 2.230 173 c HN 0.489 8.566 8.230 -0.255 0.000 0.492 174 M N 2.619 122.092 119.600 -0.212 0.000 2.144 174 M HA 0.580 5.118 4.480 -0.183 -0.168 0.356 174 M C -1.185 174.934 176.300 -0.302 0.000 1.217 174 M CA -1.516 53.622 55.300 -0.270 0.000 1.087 174 M CB 0.565 32.926 32.600 -0.398 0.000 1.609 174 M HN 0.470 8.620 8.290 -0.233 0.000 0.467 175 I N 3.730 124.169 120.570 -0.218 0.000 2.355 175 I HA 0.622 4.894 4.170 -0.177 -0.208 0.288 175 I C -1.392 174.566 176.117 -0.265 0.000 0.999 175 I CA -2.134 59.059 61.300 -0.179 0.000 1.163 175 I CB 0.371 38.332 38.000 -0.065 0.000 1.316 175 I HN 0.793 8.897 8.210 -0.176 0.000 0.454 176 L N 7.329 128.369 121.223 -0.305 0.000 2.417 176 L HA 0.429 4.357 4.340 -0.687 0.000 0.259 176 L C -1.066 175.654 176.870 -0.250 0.000 1.023 176 L CA -0.696 53.827 54.840 -0.528 0.000 0.901 176 L CB 0.094 41.677 42.059 -0.794 0.000 1.227 176 L HN 0.533 8.531 8.230 -0.206 0.108 0.454 177 N N 1.225 119.800 118.700 -0.210 0.000 2.214 177 N HA 0.180 4.944 4.740 0.040 0.000 0.214 177 N C -0.455 175.022 175.510 -0.055 0.000 1.132 177 N CA 0.006 53.023 53.050 -0.055 0.000 0.856 177 N CB 1.107 39.573 38.487 -0.036 0.000 1.020 177 N HN 0.447 8.675 8.380 -0.254 0.000 0.509 178 Q N -0.563 119.140 119.800 -0.161 0.000 3.147 178 Q HA 0.167 4.489 4.340 -0.031 0.000 0.224 178 Q C -1.723 174.249 176.000 -0.047 0.000 0.901 178 Q CA -0.170 55.584 55.803 -0.082 0.000 0.729 178 Q CB 0.163 28.855 28.738 -0.078 0.000 1.363 178 Q HN -0.376 7.695 8.270 -0.332 0.000 0.467 179 Y N 3.965 124.259 120.300 -0.010 0.000 2.532 179 Y HA 0.032 4.765 4.550 0.306 0.000 0.283 179 Y C 0.901 176.723 175.900 -0.130 0.000 1.181 179 Y CA -0.349 57.800 58.100 0.081 0.000 1.256 179 Y CB -0.521 38.048 38.460 0.182 0.000 1.112 179 Y HN 0.310 8.697 8.280 0.177 0.000 0.521 180 E N 0.943 121.056 120.200 -0.144 0.000 2.204 180 E HA -0.274 3.991 4.350 -0.609 -0.281 0.195 180 E C 1.078 177.523 176.600 -0.259 0.000 0.990 180 E CA 2.764 58.929 56.400 -0.391 0.000 0.821 180 E CB -0.502 28.943 29.700 -0.425 0.000 0.750 180 E HN -0.462 7.983 8.360 -0.105 -0.148 0.477 181 S N -1.814 113.758 115.700 -0.214 0.000 2.556 181 S HA 0.123 4.429 4.470 -0.275 0.000 0.216 181 S C -0.931 173.539 174.600 -0.217 0.000 0.970 181 S CA -0.285 57.689 58.200 -0.377 0.000 0.912 181 S CB 0.428 63.081 63.200 -0.913 0.000 0.790 181 S HN 0.048 8.231 8.310 -0.168 0.027 0.504 182 S N 1.292 117.011 115.700 0.032 0.000 2.626 182 S HA 0.096 4.799 4.470 0.170 -0.132 0.257 182 S C -0.621 174.087 174.600 0.181 0.000 1.288 182 S CA 1.100 59.418 58.200 0.196 0.000 0.980 182 S CB 1.143 64.616 63.200 0.455 0.000 0.975 182 S HN -0.685 7.518 8.310 0.076 0.152 0.577 183 S N -0.911 114.876 115.700 0.144 0.000 2.542 183 S HA 0.298 4.938 4.470 0.103 -0.108 0.293 183 S C 0.049 174.586 174.600 -0.105 0.000 1.089 183 S CA -0.705 57.534 58.200 0.065 0.000 0.961 183 S CB 2.875 66.148 63.200 0.123 0.000 1.062 183 S HN 0.244 8.625 8.310 0.119 0.000 0.483 184 G N 0.960 109.730 108.800 -0.050 0.000 2.184 184 G HA2 -0.262 3.615 3.960 -0.139 0.000 0.206 184 G HA3 -0.262 3.667 3.960 -0.052 0.000 0.206 184 G C -0.449 174.408 174.900 -0.071 0.000 0.995 184 G CA -0.094 44.961 45.100 -0.076 0.000 0.651 184 G HN 0.763 9.428 8.290 -0.002 -0.376 0.511 185 G N 0.255 109.038 108.800 -0.029 0.000 2.760 185 G HA2 -0.289 3.416 3.960 -0.424 0.000 0.246 185 G HA3 -0.289 3.653 3.960 -0.138 -0.065 0.246 185 G C -2.008 172.425 174.900 -0.779 0.000 1.359 185 G CA -0.386 44.533 45.100 -0.301 0.000 0.861 185 G HN -0.498 8.120 8.290 0.101 -0.267 0.541 186 P HA -0.065 2.323 4.420 -3.386 0.000 0.223 186 P C -0.301 176.178 177.300 -1.368 0.000 1.151 186 P CA 2.111 63.822 63.100 -2.315 0.000 0.787 186 P CB 0.226 30.513 31.700 -2.354 0.000 0.788 187 F N -6.993 112.566 119.950 -0.651 0.000 2.695 187 F HA 0.056 4.329 4.527 -0.423 0.000 0.303 187 F C -0.927 174.612 175.800 -0.435 0.000 1.091 187 F CA -1.793 55.930 58.000 -0.461 0.000 1.300 187 F CB -1.211 37.553 39.000 -0.394 0.000 1.071 187 F HN -0.408 7.221 8.300 -1.049 0.042 0.578 188 H N 1.735 120.537 119.070 -0.447 0.000 2.897 188 H HA -0.144 4.157 4.556 -0.425 0.000 0.347 188 H C -1.209 173.638 175.328 -0.801 0.000 1.068 188 H CA 1.436 57.150 56.048 -0.556 0.000 1.426 188 H CB 1.444 30.861 29.762 -0.574 0.000 1.410 188 H HN -0.835 7.253 8.280 -0.319 0.000 0.597 189 R N 2.914 122.753 120.500 -1.101 0.000 2.854 189 R HA 0.457 4.529 4.340 -0.669 -0.134 0.271 189 R C -2.161 173.753 176.300 -0.644 0.000 0.994 189 R CA -1.885 53.785 56.100 -0.717 0.000 0.945 189 R CB 3.618 33.722 30.300 -0.327 0.000 1.194 189 R HN -0.020 7.518 8.270 -1.220 0.000 0.476 190 D N -1.479 118.842 120.400 -0.132 0.000 2.665 190 D HA 0.286 4.856 4.640 -0.116 0.000 0.287 190 D C -1.776 174.493 176.300 -0.051 0.000 1.266 190 D CA -1.331 52.658 54.000 -0.019 0.000 0.830 190 D CB 4.063 45.019 40.800 0.259 0.000 1.356 190 D HN -0.005 8.405 8.370 0.066 0.000 0.437 191 I N -1.715 118.631 120.570 -0.374 0.000 2.683 191 I HA -0.349 3.572 4.170 -0.415 0.000 0.286 191 I C -0.389 175.711 176.117 -0.028 0.000 1.175 191 I CA 2.085 63.120 61.300 -0.443 0.000 1.429 191 I CB -0.112 37.335 38.000 -0.923 0.000 1.371 191 I HN 0.398 8.241 8.210 -0.612 0.000 0.569 192 N N 4.498 123.200 118.700 0.004 0.000 2.516 192 N HA 0.271 5.059 4.740 0.080 0.000 0.197 192 N C -0.814 174.879 175.510 0.304 0.000 1.064 192 N CA 0.342 53.379 53.050 -0.021 0.000 0.866 192 N CB 3.586 41.755 38.487 -0.529 0.000 1.255 192 N HN 0.169 8.527 8.380 -0.037 0.000 0.447 193 S N -2.215 113.670 115.700 0.309 0.000 2.588 193 S HA 0.464 5.394 4.470 0.485 -0.168 0.269 193 S C -2.248 172.523 174.600 0.284 0.000 1.157 193 S CA -0.917 57.500 58.200 0.361 0.000 0.824 193 S CB 2.905 66.249 63.200 0.240 0.000 1.126 193 S HN -0.516 7.909 8.310 0.192 0.000 0.464 194 N N 0.076 118.922 118.700 0.244 0.000 2.905 194 N HA 0.058 5.104 4.740 0.095 -0.249 0.255 194 N C -1.986 173.547 175.510 0.040 0.000 1.199 194 N CA 0.423 53.556 53.050 0.138 0.000 0.911 194 N CB 2.647 41.250 38.487 0.194 0.000 1.550 194 N HN 0.126 8.635 8.380 0.215 0.000 0.599 195 N N 7.618 126.315 118.700 -0.005 0.000 2.415 195 N HA 0.148 4.968 4.740 -0.089 -0.133 0.250 195 N C -0.032 175.383 175.510 -0.157 0.000 1.127 195 N CA -0.358 52.649 53.050 -0.072 0.000 0.945 195 N CB 0.208 38.676 38.487 -0.032 0.000 1.196 195 N HN 0.236 8.928 8.380 0.017 -0.302 0.499 196 G N 1.872 110.508 108.800 -0.273 0.000 3.126 196 G HA2 0.207 3.940 3.960 -0.379 0.000 0.224 196 G HA3 0.207 3.976 3.960 -0.319 0.000 0.224 196 G C -0.406 174.282 174.900 -0.353 0.000 1.142 196 G CA -0.432 44.463 45.100 -0.342 0.000 0.759 196 G HN -0.119 7.965 8.290 -0.343 0.000 0.550 197 G N -0.701 107.913 108.800 -0.309 0.000 2.428 197 G HA2 -0.228 3.602 3.960 -0.217 0.000 0.199 197 G HA3 -0.228 3.631 3.960 -0.169 0.000 0.199 197 G C -0.499 174.277 174.900 -0.206 0.000 1.005 197 G CA 0.355 45.320 45.100 -0.225 0.000 0.671 197 G HN -0.533 7.720 8.290 -0.301 -0.143 0.485 198 S N -0.390 115.098 115.700 -0.354 0.000 2.527 198 S HA 0.044 4.465 4.470 -0.082 0.000 0.227 198 S C -1.404 173.033 174.600 -0.272 0.000 1.059 198 S CA 0.796 58.844 58.200 -0.253 0.000 0.919 198 S CB 1.122 64.194 63.200 -0.213 0.000 0.805 198 S HN -0.231 7.758 8.310 -0.536 0.000 0.500 199 Y N -7.358 112.745 120.300 -0.329 0.000 2.725 199 Y HA 0.072 4.506 4.550 -0.193 0.000 0.333 199 Y C -3.009 172.780 175.900 -0.185 0.000 1.242 199 Y CA -2.533 55.380 58.100 -0.313 0.000 1.059 199 Y CB 0.799 38.889 38.460 -0.617 0.000 1.306 199 Y HN -1.042 6.695 8.280 -0.906 0.000 0.454 200 N N 1.085 119.840 118.700 0.093 0.000 2.444 200 N HA 0.267 5.142 4.740 -0.006 -0.138 0.262 200 N C -1.347 174.234 175.510 0.118 0.000 0.974 200 N CA -1.758 51.327 53.050 0.058 0.000 0.933 200 N CB 2.687 41.201 38.487 0.045 0.000 1.137 200 N HN -0.006 8.454 8.380 0.133 0.000 0.498 201 A N 6.543 129.418 122.820 0.091 0.000 2.301 201 A HA 0.737 5.229 4.320 -0.093 -0.228 0.298 201 A C -2.056 175.446 177.584 -0.137 0.000 1.185 201 A CA -1.630 50.361 52.037 -0.077 0.000 0.830 201 A CB 1.822 20.726 19.000 -0.159 0.000 1.112 201 A HN 0.504 8.697 8.150 0.072 0.000 0.508 202 L N 4.937 126.051 121.223 -0.182 0.000 2.333 202 L HA 0.528 5.075 4.340 0.150 -0.117 0.280 202 L C -2.235 174.641 176.870 0.009 0.000 1.004 202 L CA -1.026 53.827 54.840 0.021 0.000 0.820 202 L CB 3.144 45.253 42.059 0.084 0.000 1.247 202 L HN 0.043 8.151 8.230 -0.203 0.000 0.416 203 Y N 4.429 124.942 120.300 0.354 0.000 2.562 203 Y HA 0.841 5.779 4.550 0.309 -0.203 0.343 203 Y C -1.463 174.778 175.900 0.568 0.000 1.025 203 Y CA -2.180 56.149 58.100 0.382 0.000 1.082 203 Y CB 4.483 43.163 38.460 0.367 0.000 1.264 203 Y HN 0.648 9.282 8.280 0.589 0.000 0.478 204 W N 0.305 121.841 121.300 0.393 0.000 2.499 204 W HA 0.405 5.278 4.660 0.355 0.000 0.320 204 W C -2.369 174.220 176.519 0.117 0.000 1.010 204 W CA -1.672 55.805 57.345 0.219 0.000 1.267 204 W CB 2.765 32.148 29.460 -0.129 0.000 1.316 204 W HN 0.420 8.973 8.180 0.622 0.000 0.431 205 Y N 8.888 129.268 120.300 0.135 0.000 2.600 205 Y HA 0.019 4.500 4.550 -0.115 0.000 0.351 205 Y C -0.175 175.463 175.900 -0.437 0.000 1.042 205 Y CA 0.560 58.614 58.100 -0.078 0.000 1.333 205 Y CB -1.063 37.475 38.460 0.129 0.000 1.172 205 Y HN 0.663 9.343 8.280 0.666 0.000 0.517 206 M N 3.040 122.170 119.600 -0.783 0.000 2.117 206 M HA -0.381 3.239 4.480 -1.433 0.000 0.262 206 M C -0.488 175.644 176.300 -0.281 0.000 1.065 206 M CA 3.446 58.188 55.300 -0.931 0.000 1.114 206 M CB 0.855 32.883 32.600 -0.954 0.000 1.361 206 M HN -0.074 7.766 8.290 -0.750 0.000 0.408 207 N N -7.832 110.730 118.700 -0.230 0.000 2.825 207 N HA 0.154 4.895 4.740 0.001 0.000 0.253 207 N C -2.470 172.980 175.510 -0.099 0.000 1.426 207 N CA -0.575 52.391 53.050 -0.141 0.000 0.851 207 N CB 2.347 40.653 38.487 -0.301 0.000 1.470 207 N HN -0.590 7.609 8.380 -0.302 0.000 0.517 208 S N -2.848 112.846 115.700 -0.010 0.000 2.636 208 S HA 0.149 4.572 4.470 -0.078 0.000 0.266 208 S C -1.169 173.486 174.600 0.092 0.000 1.147 208 S CA -0.928 57.238 58.200 -0.056 0.000 0.815 208 S CB 2.395 65.389 63.200 -0.345 0.000 1.119 208 S HN -0.129 8.227 8.310 0.077 0.000 0.470 209 G N -1.674 107.102 108.800 -0.040 0.000 3.371 209 G HA2 0.201 4.204 3.960 0.071 0.000 0.248 209 G HA3 0.201 4.227 3.960 0.109 0.000 0.248 209 G C -0.025 174.932 174.900 0.095 0.000 1.161 209 G CA -0.412 44.723 45.100 0.059 0.000 0.796 209 G HN 0.450 8.632 8.290 -0.180 0.000 0.539 210 H N 2.616 121.785 119.070 0.166 0.000 3.004 210 H HA -0.134 4.474 4.556 0.087 0.000 0.267 210 H C 0.021 175.404 175.328 0.091 0.000 1.165 210 H CA -1.256 54.866 56.048 0.122 0.000 1.450 210 H CB -0.792 29.067 29.762 0.162 0.000 1.488 210 H HN -0.486 7.638 8.280 -0.140 0.072 0.478 211 V N 2.047 122.047 119.914 0.144 0.000 5.726 211 V HA -0.435 3.718 4.120 0.056 0.000 0.260 211 V C -1.279 174.883 176.094 0.114 0.000 0.657 211 V CA 0.926 63.264 62.300 0.064 0.000 0.584 211 V CB -2.355 29.443 31.823 -0.042 0.000 0.241 211 V HN 0.235 8.506 8.190 0.135 0.000 0.652 212 Q N 1.498 121.368 119.800 0.115 0.000 2.274 212 Q HA 0.054 4.479 4.340 0.142 0.000 0.256 212 Q C 0.205 176.214 176.000 0.016 0.000 0.927 212 Q CA -0.236 55.621 55.803 0.090 0.000 0.939 212 Q CB 1.176 29.950 28.738 0.060 0.000 1.201 212 Q HN -0.216 8.112 8.270 0.096 0.000 0.426 213 T N 1.921 116.477 114.554 0.003 0.000 3.023 213 T HA 0.118 4.452 4.350 -0.026 0.000 0.253 213 T C 0.521 175.188 174.700 -0.055 0.000 1.038 213 T CA -0.354 61.731 62.100 -0.025 0.000 0.962 213 T CB 0.612 69.469 68.868 -0.019 0.000 1.018 213 T HN 0.167 8.417 8.240 0.016 0.000 0.521 214 E N 1.660 121.821 120.200 -0.065 0.000 2.336 214 E HA 0.225 4.531 4.350 -0.073 0.000 0.267 214 E C -1.259 175.274 176.600 -0.112 0.000 0.906 214 E CA -1.335 55.022 56.400 -0.073 0.000 0.781 214 E CB 3.195 32.865 29.700 -0.050 0.000 1.261 214 E HN -0.610 7.994 8.360 -0.059 -0.279 0.436 215 S N 2.137 117.777 115.700 -0.100 0.000 2.576 215 S HA -0.146 4.157 4.470 -0.278 0.000 0.272 215 S C -0.590 173.995 174.600 -0.025 0.000 1.352 215 S CA 0.515 58.631 58.200 -0.141 0.000 1.021 215 S CB 0.551 63.715 63.200 -0.061 0.000 0.887 215 S HN 0.202 8.471 8.310 -0.068 0.000 0.542 216 Y N -0.426 119.876 120.300 0.004 0.000 2.379 216 Y HA 0.071 4.633 4.550 0.020 0.000 0.337 216 Y C 1.215 177.134 175.900 0.031 0.000 1.238 216 Y CA -0.213 57.898 58.100 0.018 0.000 1.405 216 Y CB 0.616 39.083 38.460 0.011 0.000 1.310 216 Y HN -0.064 8.102 8.280 -0.190 0.000 0.569 217 R N -0.045 120.594 120.500 0.232 0.000 2.514 217 R HA 0.312 4.714 4.340 0.102 0.000 0.301 217 R C -0.781 175.599 176.300 0.133 0.000 0.962 217 R CA -1.360 54.811 56.100 0.119 0.000 0.882 217 R CB 2.286 32.608 30.300 0.036 0.000 1.143 217 R HN 0.373 8.797 8.270 0.257 0.000 0.452 218 M N 0.618 120.261 119.600 0.072 0.000 2.369 218 M HA -0.015 4.515 4.480 0.083 0.000 0.291 218 M C 0.789 177.083 176.300 -0.009 0.000 1.178 218 M CA -0.723 54.601 55.300 0.040 0.000 0.996 218 M CB 1.050 33.645 32.600 -0.008 0.000 1.472 218 M HN 0.144 8.466 8.290 0.053 0.000 0.496 219 G N -2.382 106.356 108.800 -0.103 0.000 2.472 219 G HA2 -0.266 3.728 3.960 0.057 0.000 0.205 219 G HA3 -0.266 3.636 3.960 -0.097 0.000 0.205 219 G C -2.268 172.704 174.900 0.120 0.000 1.270 219 G CA -0.651 44.427 45.100 -0.036 0.000 0.974 219 G HN 0.158 8.312 8.290 -0.226 0.000 0.542 220 L N 2.629 124.039 121.223 0.311 0.000 2.281 220 L HA 0.180 4.972 4.340 0.533 -0.133 0.285 220 L C -0.509 176.480 176.870 0.198 0.000 1.074 220 L CA -0.802 54.278 54.840 0.399 0.000 0.817 220 L CB 1.150 43.448 42.059 0.397 0.000 1.168 220 L HN 0.238 8.637 8.230 0.282 0.000 0.434 221 H N 6.599 125.783 119.070 0.190 0.000 2.489 221 H HA 0.164 4.787 4.556 0.111 0.000 0.322 221 H C 0.235 175.765 175.328 0.336 0.000 1.091 221 H CA -0.031 56.107 56.048 0.149 0.000 1.291 221 H CB 1.755 31.500 29.762 -0.028 0.000 1.436 221 H HN 0.644 9.251 8.280 0.546 0.000 0.480 222 G N 5.440 114.517 108.800 0.461 0.000 2.512 222 G HA2 -0.331 3.978 3.960 0.581 0.000 0.210 222 G HA3 -0.331 3.849 3.960 0.365 0.000 0.210 222 G C -3.267 171.690 174.900 0.095 0.000 1.295 222 G CA -0.844 44.502 45.100 0.410 0.000 0.934 222 G HN -0.117 8.402 8.290 0.381 0.000 0.554 223 P HA 0.229 4.747 4.420 -0.158 -0.193 0.269 223 P C -1.719 175.555 177.300 -0.044 0.000 1.217 223 P CA 0.308 63.264 63.100 -0.240 0.000 0.783 223 P CB 0.396 31.610 31.700 -0.809 0.000 0.898 224 Y N -5.977 114.198 120.300 -0.207 0.000 2.553 224 Y HA 0.489 4.884 4.550 -0.439 -0.109 0.347 224 Y C -1.808 174.002 175.900 -0.150 0.000 1.019 224 Y CA -2.510 55.392 58.100 -0.329 0.000 1.032 224 Y CB 3.180 41.354 38.460 -0.477 0.000 1.284 224 Y HN 0.310 8.523 8.280 -0.112 0.000 0.466 225 S N 0.556 116.213 115.700 -0.072 0.000 2.557 225 S HA 0.471 5.005 4.470 -0.140 -0.148 0.291 225 S C -1.797 172.734 174.600 -0.114 0.000 1.116 225 S CA -1.015 57.133 58.200 -0.087 0.000 0.992 225 S CB 2.928 66.153 63.200 0.042 0.000 1.028 225 S HN 0.225 8.478 8.310 -0.095 0.000 0.484 226 M N 7.054 126.559 119.600 -0.159 0.000 2.066 226 M HA 0.616 5.216 4.480 -0.158 -0.215 0.340 226 M C -2.241 173.966 176.300 -0.154 0.000 1.053 226 M CA -0.930 54.274 55.300 -0.160 0.000 0.983 226 M CB 2.830 35.344 32.600 -0.143 0.000 1.520 226 M HN 0.417 8.588 8.290 -0.199 0.000 0.428 227 Y N 7.484 127.609 120.300 -0.293 0.000 2.330 227 Y HA 0.318 4.974 4.550 -0.041 -0.130 0.336 227 Y C -2.164 173.522 175.900 -0.357 0.000 1.036 227 Y CA -1.617 56.376 58.100 -0.179 0.000 1.125 227 Y CB 3.373 41.760 38.460 -0.121 0.000 1.194 227 Y HN 0.666 8.893 8.280 -0.089 0.000 0.469 228 F N 7.215 127.122 119.950 -0.071 0.000 2.426 228 F HA 0.590 5.202 4.527 -0.124 -0.159 0.348 228 F C -0.375 175.381 175.800 -0.073 0.000 1.124 228 F CA -1.029 56.871 58.000 -0.166 0.000 1.008 228 F CB 2.290 41.071 39.000 -0.364 0.000 1.139 228 F HN 0.156 8.464 8.300 0.013 0.000 0.452 229 S N 3.452 119.201 115.700 0.082 0.000 2.599 229 S HA 0.405 5.065 4.470 0.318 0.000 0.294 229 S C -0.370 174.364 174.600 0.224 0.000 1.094 229 S CA -1.392 56.932 58.200 0.207 0.000 0.931 229 S CB 2.918 66.206 63.200 0.147 0.000 1.093 229 S HN 0.617 8.925 8.310 -0.003 0.000 0.488 230 R N 1.987 122.627 120.500 0.234 0.000 2.056 230 R HA -0.077 4.461 4.340 0.095 -0.141 0.220 230 R C 0.841 177.134 176.300 -0.012 0.000 1.187 230 R CA 2.733 58.867 56.100 0.057 0.000 0.932 230 R CB 0.090 30.287 30.300 -0.172 0.000 0.821 230 R HN 0.413 8.803 8.270 0.200 0.000 0.449 231 S N -4.834 110.849 115.700 -0.028 0.000 2.666 231 S HA 0.124 4.586 4.470 -0.013 0.000 0.239 231 S C 0.427 175.019 174.600 -0.014 0.000 1.031 231 S CA -0.180 58.006 58.200 -0.023 0.000 1.015 231 S CB 0.862 64.038 63.200 -0.039 0.000 0.981 231 S HN -0.250 8.039 8.310 -0.035 0.000 0.547 232 G N 1.170 109.968 108.800 -0.003 0.000 2.599 232 G HA2 0.017 3.971 3.960 -0.009 0.000 0.264 232 G HA3 0.017 3.962 3.960 -0.024 0.000 0.264 232 G C -1.197 173.673 174.900 -0.050 0.000 1.200 232 G CA -0.492 44.597 45.100 -0.019 0.000 0.896 232 G HN -0.304 7.994 8.290 0.014 0.000 0.536 233 T N 1.581 116.083 114.554 -0.086 0.000 2.815 233 T HA 0.299 4.564 4.350 -0.140 0.000 0.289 233 T C -1.926 172.648 174.700 -0.210 0.000 1.000 233 T CA -2.248 59.774 62.100 -0.130 0.000 0.958 233 T CB 1.893 70.709 68.868 -0.086 0.000 0.944 233 T HN -0.069 8.125 8.240 -0.076 0.000 0.442 234 P HA 0.232 4.357 4.420 -0.491 0.000 0.275 234 P C -0.675 176.456 177.300 -0.282 0.000 1.228 234 P CA -0.724 62.054 63.100 -0.536 0.000 0.786 234 P CB 0.969 31.944 31.700 -1.208 0.000 0.927 235 S N -0.369 115.216 115.700 -0.190 0.000 2.573 235 S HA -0.108 4.319 4.470 -0.072 0.000 0.277 235 S C 0.311 174.870 174.600 -0.069 0.000 1.346 235 S CA 0.072 58.220 58.200 -0.088 0.000 1.034 235 S CB 0.740 63.919 63.200 -0.035 0.000 0.879 235 S HN 0.161 8.360 8.310 -0.185 0.000 0.528 236 T N -0.013 114.524 114.554 -0.028 0.000 3.148 236 T HA -0.033 4.307 4.350 -0.017 0.000 0.253 236 T C -0.019 174.696 174.700 0.024 0.000 1.134 236 T CA 0.387 62.485 62.100 -0.004 0.000 1.051 236 T CB -0.186 68.689 68.868 0.013 0.000 0.959 236 T HN 0.070 8.299 8.240 -0.019 0.000 0.525 237 S N 3.735 119.453 115.700 0.031 0.000 2.681 237 S HA 0.114 4.611 4.470 0.046 0.000 0.313 237 S C -0.935 173.711 174.600 0.077 0.000 1.137 237 S CA 0.430 58.659 58.200 0.049 0.000 1.045 237 S CB -0.694 62.533 63.200 0.045 0.000 1.208 237 S HN -0.399 7.864 8.310 0.021 0.061 0.523 238 I N 5.658 126.281 120.570 0.088 0.000 2.439 238 I HA 0.008 4.284 4.170 0.177 0.000 0.283 238 I C -1.430 174.752 176.117 0.108 0.000 1.023 238 I CA -0.674 60.716 61.300 0.149 0.000 1.100 238 I CB 1.954 40.080 38.000 0.210 0.000 1.238 238 I HN -0.507 7.743 8.210 0.066 0.000 0.445 239 D N 8.499 128.971 120.400 0.119 0.000 2.417 239 D HA -0.093 4.551 4.640 0.006 0.000 0.250 239 D C -0.170 176.103 176.300 -0.045 0.000 1.166 239 D CA 0.767 54.801 54.000 0.056 0.000 0.881 239 D CB 0.622 41.490 40.800 0.114 0.000 1.164 239 D HN 0.164 8.624 8.370 0.149 0.000 0.467 240 T N 2.472 116.849 114.554 -0.296 0.000 3.200 240 T HA 0.207 3.767 4.350 -1.317 0.000 0.284 240 T C 1.123 175.325 174.700 -0.829 0.000 1.009 240 T CA -0.915 60.706 62.100 -0.799 0.000 0.907 240 T CB 0.487 68.975 68.868 -0.633 0.000 1.120 240 T HN 0.024 8.131 8.240 -0.223 0.000 0.534 241 S N 3.507 118.938 115.700 -0.448 0.000 2.474 241 S HA -0.140 4.266 4.470 -0.107 0.000 0.235 241 S C 1.403 175.855 174.600 -0.248 0.000 0.997 241 S CA 2.383 60.458 58.200 -0.207 0.000 0.949 241 S CB -0.380 62.786 63.200 -0.057 0.000 0.766 241 S HN -0.370 8.073 8.310 -0.301 -0.313 0.517 242 F N -0.376 119.482 119.950 -0.154 0.000 2.494 242 F HA 0.018 4.350 4.527 -0.324 0.000 0.298 242 F C 1.231 176.763 175.800 -0.446 0.000 1.106 242 F CA -0.321 57.455 58.000 -0.374 0.000 1.452 242 F CB -1.761 36.811 39.000 -0.713 0.000 1.085 242 F HN -0.511 7.356 8.300 -0.664 0.034 0.569 243 F N 1.394 120.846 119.950 -0.830 0.000 2.250 243 F HA -0.471 3.665 4.527 -0.652 0.000 0.301 243 F C 1.655 176.917 175.800 -0.897 0.000 1.077 243 F CA 3.368 60.819 58.000 -0.916 0.000 1.348 243 F CB -0.605 37.593 39.000 -1.338 0.000 1.040 243 F HN -0.433 7.477 8.300 -0.582 0.041 0.509 244 A N -2.057 120.504 122.820 -0.431 0.000 2.070 244 A HA -0.269 4.082 4.320 0.052 0.000 0.220 244 A C 0.469 177.992 177.584 -0.101 0.000 1.159 244 A CA 2.344 54.333 52.037 -0.080 0.000 0.656 244 A CB -0.578 18.487 19.000 0.107 0.000 0.800 244 A HN -0.509 7.417 8.150 -0.317 0.034 0.453 245 D N -4.007 116.289 120.400 -0.173 0.000 2.402 245 D HA 0.199 4.786 4.640 -0.088 0.000 0.216 245 D C -0.276 175.924 176.300 -0.167 0.000 1.128 245 D CA 0.377 54.296 54.000 -0.135 0.000 0.833 245 D CB 0.587 41.312 40.800 -0.125 0.000 0.971 245 D HN -0.527 7.659 8.370 -0.230 0.046 0.503 246 L N -2.649 118.432 121.223 -0.235 0.000 3.014 246 L HA 0.331 4.560 4.340 -0.184 0.000 0.263 246 L C -1.338 175.408 176.870 -0.206 0.000 1.207 246 L CA -1.050 53.643 54.840 -0.245 0.000 1.017 246 L CB 0.760 42.590 42.059 -0.382 0.000 1.360 246 L HN -0.887 7.120 8.230 -0.274 0.059 0.560 247 D N -2.583 117.726 120.400 -0.152 0.000 2.697 247 D HA -0.366 4.231 4.640 -0.072 0.000 0.238 247 D C -1.306 174.907 176.300 -0.145 0.000 1.152 247 D CA 1.199 55.139 54.000 -0.101 0.000 0.666 247 D CB -1.424 39.344 40.800 -0.054 0.000 1.037 247 D HN 0.167 8.456 8.370 -0.135 0.000 0.423 248 I N -0.648 119.778 120.570 -0.239 0.000 2.396 248 I HA -0.084 3.687 4.170 -0.665 0.000 0.289 248 I C -0.099 175.917 176.117 -0.168 0.000 1.056 248 I CA -1.614 59.436 61.300 -0.416 0.000 1.365 248 I CB -1.413 36.312 38.000 -0.458 0.000 1.407 248 I HN -0.000 8.078 8.210 -0.220 0.000 0.509 249 K N 10.012 130.329 120.400 -0.139 0.000 2.484 249 K HA -0.305 3.846 4.320 -0.283 0.000 0.280 249 K C 0.425 176.820 176.600 -0.342 0.000 1.013 249 K CA 1.498 57.560 56.287 -0.375 0.000 1.029 249 K CB 0.133 32.159 32.500 -0.790 0.000 0.902 249 K HN -0.063 8.194 8.250 0.012 0.000 0.481 250 G N 1.193 109.893 108.800 -0.166 0.000 2.184 250 G HA2 -0.362 3.838 3.960 0.400 0.000 0.264 250 G HA3 -0.362 3.725 3.960 0.211 0.000 0.264 250 G C -1.153 173.844 174.900 0.162 0.000 0.975 250 G CA 0.332 45.538 45.100 0.176 0.000 0.642 250 G HN 0.233 8.428 8.290 -0.158 0.000 0.536 251 Y N 2.109 122.414 120.300 0.007 0.000 2.436 251 Y HA -0.080 4.479 4.550 0.016 0.000 0.336 251 Y C -0.810 175.087 175.900 -0.005 0.000 1.049 251 Y CA 0.903 59.003 58.100 0.000 0.000 1.294 251 Y CB 0.504 38.951 38.460 -0.022 0.000 1.179 251 Y HN -0.617 7.714 8.280 0.181 0.057 0.520 252 V N 9.792 129.373 119.914 -0.555 0.000 2.357 252 V HA 0.144 4.129 4.120 -0.225 0.000 0.284 252 V C -1.064 174.627 176.094 -0.671 0.000 1.018 252 V CA -1.352 60.705 62.300 -0.405 0.000 0.841 252 V CB 1.473 33.167 31.823 -0.214 0.000 0.991 252 V HN 0.276 8.062 8.190 -0.672 0.000 0.437 253 A N 7.052 129.662 122.820 -0.350 0.000 2.272 253 A HA 0.175 4.345 4.320 -0.250 0.000 0.275 253 A C 0.604 178.100 177.584 -0.147 0.000 1.096 253 A CA -0.627 51.304 52.037 -0.176 0.000 0.822 253 A CB 0.912 19.957 19.000 0.075 0.000 1.088 253 A HN 0.353 8.397 8.150 -0.176 0.000 0.495 254 A N -0.334 122.435 122.820 -0.084 0.000 1.940 254 A HA -0.365 3.892 4.320 -0.105 0.000 0.221 254 A C 1.612 179.152 177.584 -0.073 0.000 1.190 254 A CA 3.098 55.087 52.037 -0.080 0.000 0.647 254 A CB -0.867 18.105 19.000 -0.047 0.000 0.821 254 A HN 0.763 8.888 8.150 -0.041 0.000 0.457 255 S N -3.290 112.381 115.700 -0.048 0.000 2.474 255 S HA -0.186 4.259 4.470 -0.043 0.000 0.235 255 S C 1.149 175.719 174.600 -0.051 0.000 0.997 255 S CA 1.582 59.757 58.200 -0.042 0.000 0.949 255 S CB -0.630 62.556 63.200 -0.023 0.000 0.766 255 S HN -0.053 8.227 8.310 -0.034 0.010 0.517 256 G N 0.157 108.918 108.800 -0.065 0.000 3.189 256 G HA2 0.162 4.083 3.960 -0.066 0.000 0.225 256 G HA3 0.162 4.092 3.960 -0.050 0.000 0.225 256 G C -1.287 173.565 174.900 -0.080 0.000 1.159 256 G CA -0.415 44.646 45.100 -0.065 0.000 0.763 256 G HN -0.413 7.680 8.290 -0.076 0.152 0.549 257 R N -1.314 119.125 120.500 -0.101 0.000 2.854 257 R HA 0.764 5.140 4.340 -0.123 -0.110 0.271 257 R C -0.915 175.304 176.300 -0.136 0.000 0.996 257 R CA -1.407 54.614 56.100 -0.132 0.000 0.961 257 R CB 4.155 34.352 30.300 -0.171 0.000 1.182 257 R HN -0.760 7.384 8.270 -0.098 0.067 0.479 258 G N -0.812 107.885 108.800 -0.172 0.000 3.108 258 G HA2 0.825 4.912 3.960 -0.153 0.000 0.268 258 G HA3 0.825 4.697 3.960 -0.147 0.000 0.268 258 G C -2.590 172.152 174.900 -0.264 0.000 1.361 258 G CA -1.615 43.380 45.100 -0.176 0.000 1.047 258 G HN 0.157 8.331 8.290 -0.193 0.000 0.540 259 K N -3.135 117.116 120.400 -0.249 0.000 2.466 259 K HA 0.766 4.815 4.320 -0.451 0.000 0.260 259 K C -1.622 174.800 176.600 -0.298 0.000 1.011 259 K CA -1.628 54.464 56.287 -0.325 0.000 0.871 259 K CB 5.288 37.646 32.500 -0.237 0.000 1.404 259 K HN 0.137 8.270 8.250 -0.194 0.000 0.450 260 V N -0.300 119.385 119.914 -0.381 0.000 2.495 260 V HA 0.758 5.012 4.120 -0.101 -0.195 0.298 260 V C -1.631 174.481 176.094 0.028 0.000 1.031 260 V CA -2.148 60.046 62.300 -0.175 0.000 0.871 260 V CB 2.086 33.773 31.823 -0.226 0.000 0.988 260 V HN 0.235 8.103 8.190 -0.537 0.000 0.432 261 A N 5.349 128.188 122.820 0.032 0.000 2.475 261 A HA 0.911 5.281 4.320 -0.143 -0.135 0.301 261 A C -1.860 175.512 177.584 -0.354 0.000 1.059 261 A CA -1.826 50.126 52.037 -0.143 0.000 0.710 261 A CB 4.076 22.992 19.000 -0.139 0.000 1.288 261 A HN 0.400 8.556 8.150 0.010 0.000 0.408 262 G N -0.925 107.295 108.800 -0.967 0.000 2.356 262 G HA2 0.283 4.151 3.960 -0.497 0.000 0.281 262 G HA3 0.283 4.001 3.960 -0.402 0.000 0.281 262 G C -3.183 171.155 174.900 -0.937 0.000 1.246 262 G CA 1.065 45.724 45.100 -0.736 0.000 0.889 262 G HN -0.000 7.473 8.290 -1.361 0.000 0.486 263 T N 2.325 116.683 114.554 -0.326 0.000 2.881 263 T HA 0.510 5.018 4.350 -0.029 -0.176 0.290 263 T C -1.559 173.244 174.700 0.171 0.000 1.000 263 T CA -0.649 61.430 62.100 -0.034 0.000 0.978 263 T CB 2.715 71.581 68.868 -0.003 0.000 0.997 263 T HN -0.118 8.283 8.240 -0.154 -0.253 0.443 264 A N 6.605 129.560 122.820 0.224 0.000 2.303 264 A HA 1.118 5.502 4.320 -0.332 -0.263 0.317 264 A C -1.409 176.094 177.584 -0.135 0.000 1.149 264 A CA -2.495 49.389 52.037 -0.256 0.000 0.822 264 A CB 2.265 20.771 19.000 -0.823 0.000 1.131 264 A HN 0.517 8.786 8.150 0.363 0.099 0.493 265 S N 0.118 115.681 115.700 -0.229 0.000 2.570 265 S HA 0.283 4.811 4.470 0.095 0.000 0.270 265 S C -0.324 174.299 174.600 0.038 0.000 1.149 265 S CA -1.093 57.113 58.200 0.010 0.000 0.837 265 S CB 2.202 65.460 63.200 0.097 0.000 1.124 265 S HN 0.133 8.250 8.310 -0.323 0.000 0.465 266 G N 0.631 109.464 108.800 0.056 0.000 2.259 266 G HA2 -0.299 3.755 3.960 0.031 0.000 0.217 266 G HA3 -0.299 3.706 3.960 0.074 0.000 0.217 266 G C -0.865 174.022 174.900 -0.022 0.000 1.001 266 G CA -0.069 45.056 45.100 0.041 0.000 0.627 266 G HN 0.357 8.728 8.290 0.135 0.000 0.501 267 A N 0.804 123.496 122.820 -0.213 0.000 2.275 267 A HA -0.014 4.189 4.320 -0.196 0.000 0.282 267 A C -1.661 176.043 177.584 0.199 0.000 1.275 267 A CA -0.847 51.040 52.037 -0.250 0.000 0.842 267 A CB 1.520 20.021 19.000 -0.832 0.000 1.280 267 A HN -0.639 7.218 8.150 -0.401 0.053 0.508 268 D N -1.337 119.215 120.400 0.253 0.000 2.346 268 D HA -0.038 4.753 4.640 0.251 0.000 0.260 268 D C 0.959 177.585 176.300 0.543 0.000 1.252 268 D CA 0.071 54.268 54.000 0.327 0.000 0.895 268 D CB 0.354 41.274 40.800 0.200 0.000 1.097 268 D HN -0.259 8.508 8.370 0.138 -0.314 0.489 269 S N 7.384 123.323 115.700 0.399 0.000 2.603 269 S HA -0.162 4.361 4.470 0.090 0.000 0.229 269 S C 0.736 175.341 174.600 0.008 0.000 0.972 269 S CA 1.098 59.402 58.200 0.174 0.000 0.935 269 S CB -0.611 62.656 63.200 0.112 0.000 0.769 269 S HN 0.385 8.887 8.310 0.319 0.000 0.536 270 S N 0.747 116.494 115.700 0.079 0.000 2.593 270 S HA 0.053 4.519 4.470 -0.006 0.000 0.217 270 S C 0.274 174.896 174.600 0.036 0.000 0.966 270 S CA 1.142 59.361 58.200 0.030 0.000 0.914 270 S CB 0.581 63.805 63.200 0.040 0.000 0.776 270 S HN -0.355 8.278 8.310 0.130 -0.244 0.523 271 M N 1.887 121.545 119.600 0.095 0.000 2.644 271 M HA 0.088 4.619 4.480 0.085 0.000 0.316 271 M C -1.428 174.916 176.300 0.074 0.000 1.200 271 M CA -0.165 55.213 55.300 0.131 0.000 0.944 271 M CB 2.518 35.269 32.600 0.251 0.000 1.691 271 M HN -0.651 7.677 8.290 0.159 0.058 0.471 272 D N 0.960 121.438 120.400 0.130 0.000 2.399 272 D HA 0.052 4.706 4.640 0.024 0.000 0.241 272 D C -0.950 175.642 176.300 0.486 0.000 1.133 272 D CA 0.522 54.627 54.000 0.174 0.000 0.890 272 D CB 0.785 41.717 40.800 0.221 0.000 1.201 272 D HN 0.014 8.463 8.370 0.131 0.000 0.432 273 W N -1.031 120.472 121.300 0.338 0.000 2.606 273 W HA 0.660 5.739 4.660 0.382 -0.190 0.332 273 W C -0.531 176.250 176.519 0.437 0.000 1.052 273 W CA -2.634 54.951 57.345 0.400 0.000 1.223 273 W CB 2.340 32.069 29.460 0.449 0.000 1.383 273 W HN 0.368 8.797 8.180 0.415 0.000 0.524 274 V N 1.648 121.945 119.914 0.639 0.000 2.656 274 V HA 0.611 5.088 4.120 0.329 -0.159 0.307 274 V C -1.572 174.718 176.094 0.327 0.000 1.051 274 V CA -1.713 60.838 62.300 0.418 0.000 0.893 274 V CB 3.629 35.660 31.823 0.347 0.000 0.999 274 V HN 0.168 8.761 8.190 0.672 0.000 0.426 275 V N 5.338 125.270 119.914 0.029 0.000 2.513 275 V HA 0.812 4.988 4.120 -0.287 -0.227 0.299 275 V C -1.617 174.237 176.094 -0.399 0.000 1.035 275 V CA -2.306 59.760 62.300 -0.390 0.000 0.889 275 V CB 1.982 33.200 31.823 -1.008 0.000 0.988 275 V HN 0.568 8.778 8.190 0.033 0.000 0.440 276 H N 6.357 125.086 119.070 -0.568 0.000 2.667 276 H HA 0.543 5.330 4.556 0.110 -0.165 0.353 276 H C -1.614 173.556 175.328 -0.263 0.000 1.072 276 H CA -2.272 53.701 56.048 -0.125 0.000 1.214 276 H CB 3.800 33.711 29.762 0.248 0.000 1.600 276 H HN 0.367 8.345 8.280 -0.503 0.000 0.527 277 W N 5.095 126.591 121.300 0.326 0.000 2.632 277 W HA 0.960 5.872 4.660 0.007 -0.248 0.328 277 W C -1.221 175.496 176.519 0.330 0.000 1.044 277 W CA -2.111 55.315 57.345 0.134 0.000 1.225 277 W CB 3.394 32.830 29.460 -0.039 0.000 1.396 277 W HN 0.648 9.332 8.180 0.839 0.000 0.499 278 Y N -3.318 117.219 120.300 0.395 0.000 2.581 278 Y HA 0.885 5.926 4.550 0.518 -0.180 0.337 278 Y C -2.792 173.291 175.900 0.305 0.000 1.108 278 Y CA -1.662 56.670 58.100 0.387 0.000 1.033 278 Y CB 2.465 41.023 38.460 0.164 0.000 1.318 278 Y HN 0.579 8.885 8.280 0.043 0.000 0.459 279 N N -0.226 118.664 118.700 0.317 0.000 3.344 279 N HA 0.243 5.031 4.740 0.080 0.000 0.296 279 N C 0.142 175.728 175.510 0.126 0.000 1.571 279 N CA -1.576 51.513 53.050 0.064 0.000 0.844 279 N CB 1.771 40.093 38.487 -0.274 0.000 1.718 279 N HN -0.006 8.616 8.380 0.402 0.000 0.589 280 D N -0.668 119.761 120.400 0.047 0.000 2.310 280 D HA -0.139 4.553 4.640 0.087 0.000 0.212 280 D C 0.639 176.967 176.300 0.048 0.000 0.965 280 D CA 3.578 57.613 54.000 0.057 0.000 0.879 280 D CB -0.701 40.116 40.800 0.028 0.000 0.921 280 D HN 0.319 8.689 8.370 -0.000 0.000 0.510 281 A N -3.080 119.757 122.820 0.029 0.000 1.984 281 A HA 0.025 4.362 4.320 0.028 0.000 0.214 281 A C -1.325 176.288 177.584 0.048 0.000 1.173 281 A CA 0.942 52.999 52.037 0.034 0.000 0.673 281 A CB 1.053 20.067 19.000 0.022 0.000 0.830 281 A HN -0.497 7.851 8.150 0.002 -0.196 0.453 282 A N -5.524 117.357 122.820 0.103 0.000 2.608 282 A HA 0.694 5.153 4.320 -0.077 -0.186 0.292 282 A C -2.804 174.824 177.584 0.074 0.000 1.066 282 A CA -0.631 51.423 52.037 0.028 0.000 0.676 282 A CB 3.049 22.105 19.000 0.094 0.000 1.277 282 A HN -0.621 7.806 8.150 0.142 -0.192 0.413 283 Q N -1.420 118.221 119.800 -0.266 0.000 2.359 283 Q HA 1.082 5.752 4.340 0.247 -0.182 0.274 283 Q C -1.691 173.932 176.000 -0.630 0.000 1.074 283 Q CA -1.798 53.964 55.803 -0.069 0.000 0.810 283 Q CB 3.389 32.273 28.738 0.243 0.000 1.342 283 Q HN 0.132 8.122 8.270 -0.466 0.000 0.427 284 Y N -0.694 119.712 120.300 0.177 0.000 2.588 284 Y HA 0.212 4.452 4.550 -0.517 0.000 0.343 284 Y C -2.035 174.072 175.900 0.346 0.000 1.065 284 Y CA -0.362 57.697 58.100 -0.068 0.000 1.038 284 Y CB 5.022 43.456 38.460 -0.043 0.000 1.297 284 Y HN 0.526 9.100 8.280 0.491 0.000 0.467 285 W N -2.803 118.799 121.300 0.504 0.000 3.059 285 W HA 0.954 6.036 4.660 0.401 -0.181 0.329 285 W C -2.227 174.470 176.519 0.296 0.000 1.246 285 W CA -1.538 56.005 57.345 0.330 0.000 1.190 285 W CB 2.622 32.074 29.460 -0.012 0.000 1.423 285 W HN 0.147 8.266 8.180 -0.101 0.000 0.571 286 T N -1.422 113.444 114.554 0.519 0.000 2.942 286 T HA 0.302 4.892 4.350 0.400 0.000 0.327 286 T C -1.765 173.085 174.700 0.250 0.000 1.360 286 T CA -1.425 60.913 62.100 0.396 0.000 1.055 286 T CB 2.517 71.657 68.868 0.453 0.000 1.261 286 T HN 0.240 8.723 8.240 0.405 0.000 0.485 287 Y N 3.715 124.210 120.300 0.324 0.000 2.480 287 Y HA 0.314 5.214 4.550 0.303 -0.168 0.338 287 Y C 1.093 177.177 175.900 0.307 0.000 1.220 287 Y CA 1.039 59.313 58.100 0.290 0.000 1.430 287 Y CB 0.972 39.572 38.460 0.234 0.000 1.311 287 Y HN 0.329 8.811 8.280 0.336 0.000 0.575 288 T N -1.138 113.724 114.554 0.514 0.000 2.902 288 T HA 0.244 4.976 4.350 0.469 -0.101 0.280 288 T C 0.570 175.455 174.700 0.308 0.000 0.992 288 T CA -1.364 61.008 62.100 0.454 0.000 1.015 288 T CB 2.215 71.407 68.868 0.540 0.000 1.044 288 T HN -0.055 8.520 8.240 0.557 0.000 0.520 289 S N 0.464 116.305 115.700 0.234 0.000 2.617 289 S HA 0.130 4.654 4.470 0.090 0.000 0.259 289 S C 2.079 176.693 174.600 0.023 0.000 1.301 289 S CA -0.543 57.725 58.200 0.113 0.000 0.984 289 S CB 1.135 64.392 63.200 0.095 0.000 0.954 289 S HN 0.052 8.518 8.310 0.260 0.000 0.572 290 S N 1.419 117.086 115.700 -0.054 0.000 2.419 290 S HA -0.155 4.141 4.470 -0.290 0.000 0.233 290 S C 0.831 175.351 174.600 -0.133 0.000 1.016 290 S CA 2.596 60.698 58.200 -0.165 0.000 0.974 290 S CB -0.521 62.606 63.200 -0.122 0.000 0.786 290 S HN 0.515 8.805 8.310 -0.034 0.000 0.492 291 S N 0.432 116.126 115.700 -0.010 0.000 2.561 291 S HA 0.020 4.518 4.470 0.046 0.000 0.225 291 S C 1.034 175.732 174.600 0.163 0.000 0.977 291 S CA 0.058 58.292 58.200 0.057 0.000 0.926 291 S CB 0.188 63.421 63.200 0.055 0.000 0.769 291 S HN -0.561 7.734 8.310 0.009 0.021 0.533 292 G N 1.752 110.687 108.800 0.224 0.000 2.195 292 G HA2 -0.393 4.060 3.960 0.512 0.000 0.246 292 G HA3 -0.393 3.959 3.960 0.653 0.000 0.246 292 G C -0.666 174.446 174.900 0.353 0.000 0.984 292 G CA -0.144 45.229 45.100 0.454 0.000 0.633 292 G HN -0.147 8.046 8.290 0.140 0.182 0.525 293 S N 1.888 117.712 115.700 0.206 0.000 2.572 293 S HA 0.381 5.010 4.470 -0.009 -0.165 0.279 293 S C -0.867 173.874 174.600 0.234 0.000 1.341 293 S CA 0.182 58.441 58.200 0.098 0.000 1.043 293 S CB 1.267 64.484 63.200 0.027 0.000 0.887 293 S HN -0.777 7.578 8.310 0.164 0.054 0.516 294 F N -1.944 118.095 119.950 0.147 0.000 2.654 294 F HA 0.483 5.126 4.527 0.192 0.000 0.308 294 F C -2.038 173.861 175.800 0.166 0.000 1.108 294 F CA -0.875 57.240 58.000 0.192 0.000 0.957 294 F CB 2.913 42.067 39.000 0.257 0.000 1.309 294 F HN 0.190 8.229 8.300 -0.435 0.000 0.446 295 T N 3.064 117.846 114.554 0.381 0.000 2.879 295 T HA 0.496 5.110 4.350 0.205 -0.141 0.290 295 T C -0.343 174.518 174.700 0.268 0.000 0.993 295 T CA -0.857 61.387 62.100 0.239 0.000 0.975 295 T CB 2.666 71.582 68.868 0.079 0.000 0.981 295 T HN 0.098 8.578 8.240 0.401 0.000 0.439 296 S N 7.196 122.953 115.700 0.095 0.000 2.576 296 S HA 0.050 4.543 4.470 0.038 0.000 0.272 296 S C -1.534 172.961 174.600 -0.175 0.000 1.352 296 S CA -1.449 56.620 58.200 -0.219 0.000 1.021 296 S CB -0.804 61.746 63.200 -1.083 0.000 0.887 296 S HN 0.561 8.895 8.310 0.039 0.000 0.542 297 P HA -0.080 4.283 4.420 -0.096 0.000 0.272 297 P C -1.421 175.672 177.300 -0.345 0.000 1.248 297 P CA -0.334 62.664 63.100 -0.169 0.000 0.799 297 P CB 0.560 32.209 31.700 -0.085 0.000 0.997 298 A N -1.763 120.896 122.820 -0.268 0.000 2.491 298 A HA -0.132 4.114 4.320 -0.330 -0.123 0.261 298 A C -0.280 177.007 177.584 -0.494 0.000 1.101 298 A CA 0.822 52.668 52.037 -0.317 0.000 0.772 298 A CB 0.434 19.316 19.000 -0.196 0.000 1.043 298 A HN 0.172 8.212 8.150 -0.184 0.000 0.501 299 M N 5.024 124.240 119.600 -0.640 0.000 2.436 299 M HA 0.237 3.897 4.480 -1.368 0.000 0.331 299 M C -0.248 175.843 176.300 -0.347 0.000 1.135 299 M CA -1.137 53.614 55.300 -0.916 0.000 0.987 299 M CB 3.451 35.343 32.600 -1.179 0.000 1.687 299 M HN 0.645 8.613 8.290 -0.537 0.000 0.445 300 K N 3.729 124.088 120.400 -0.069 0.000 2.489 300 K HA 0.016 4.338 4.320 0.002 0.000 0.278 300 K C -1.658 175.016 176.600 0.122 0.000 1.000 300 K CA -0.240 56.092 56.287 0.074 0.000 1.012 300 K CB -0.824 31.789 32.500 0.189 0.000 0.903 300 K HN -0.184 8.115 8.250 0.083 0.000 0.485 301 P HA -0.399 4.181 4.420 0.062 -0.123 0.267 301 P C -0.466 176.894 177.300 0.099 0.000 1.200 301 P CA 0.097 63.237 63.100 0.066 0.000 0.772 301 P CB 0.354 32.062 31.700 0.014 0.000 0.855 302 G N 1.184 110.040 108.800 0.094 0.000 2.356 302 G HA2 -0.132 3.729 3.960 -0.165 0.000 0.288 302 G HA3 -0.132 3.795 3.960 -0.054 0.000 0.288 302 G C -2.782 172.082 174.900 -0.060 0.000 1.302 302 G CA -0.098 44.969 45.100 -0.055 0.000 0.887 302 G HN -0.261 8.100 8.290 0.119 0.000 0.521 303 T N 1.966 116.390 114.554 -0.216 0.000 2.824 303 T HA 0.674 5.214 4.350 0.035 -0.169 0.280 303 T C -1.042 173.474 174.700 -0.306 0.000 0.995 303 T CA -0.110 61.918 62.100 -0.121 0.000 1.009 303 T CB 1.521 70.342 68.868 -0.079 0.000 0.955 303 T HN -0.016 8.067 8.240 -0.262 0.000 0.452 304 Y N 4.477 124.777 120.300 0.001 0.000 2.499 304 Y HA 0.058 4.690 4.550 -0.058 -0.117 0.347 304 Y C -0.499 175.336 175.900 -0.109 0.000 0.987 304 Y CA -1.200 56.890 58.100 -0.017 0.000 1.044 304 Y CB 3.898 42.442 38.460 0.140 0.000 1.245 304 Y HN 0.768 9.185 8.280 0.227 0.000 0.461 305 T N 4.245 118.668 114.554 -0.218 0.000 2.884 305 T HA 0.092 4.441 4.350 -0.231 -0.138 0.298 305 T C -1.163 173.350 174.700 -0.310 0.000 0.998 305 T CA 1.907 63.769 62.100 -0.396 0.000 1.124 305 T CB 0.604 68.960 68.868 -0.854 0.000 0.931 305 T HN 0.298 8.310 8.240 -0.380 0.000 0.531 306 M N 7.815 127.280 119.600 -0.225 0.000 2.190 306 M HA 0.684 5.077 4.480 -0.484 -0.203 0.312 306 M C -2.531 173.566 176.300 -0.338 0.000 0.990 306 M CA -1.002 54.098 55.300 -0.334 0.000 0.927 306 M CB 3.233 35.713 32.600 -0.200 0.000 1.571 306 M HN 0.490 8.669 8.290 -0.186 0.000 0.427 307 V N 7.205 126.872 119.914 -0.412 0.000 2.604 307 V HA 0.619 4.716 4.120 -0.333 -0.176 0.305 307 V C -2.088 173.752 176.094 -0.422 0.000 1.043 307 V CA -1.745 60.315 62.300 -0.399 0.000 0.888 307 V CB 3.176 34.736 31.823 -0.439 0.000 0.995 307 V HN 0.833 8.733 8.190 -0.484 0.000 0.429 308 Y N 8.311 128.295 120.300 -0.527 0.000 2.334 308 Y HA 0.600 5.110 4.550 -0.327 -0.156 0.336 308 Y C -2.393 173.283 175.900 -0.374 0.000 0.960 308 Y CA -3.898 53.968 58.100 -0.390 0.000 1.164 308 Y CB 2.168 40.442 38.460 -0.310 0.000 1.155 308 Y HN 0.249 8.375 8.280 -0.257 0.000 0.478 309 Y N 6.208 126.562 120.300 0.090 0.000 2.446 309 Y HA 0.544 5.238 4.550 -0.072 -0.187 0.338 309 Y C -0.770 175.113 175.900 -0.028 0.000 1.055 309 Y CA -2.410 55.700 58.100 0.018 0.000 1.101 309 Y CB 3.525 42.129 38.460 0.239 0.000 1.221 309 Y HN 0.658 9.159 8.280 0.369 0.000 0.460 310 Q N 0.124 120.006 119.800 0.138 0.000 2.325 310 Q HA 0.456 5.201 4.340 0.441 -0.140 0.262 310 Q C 0.701 176.870 176.000 0.282 0.000 0.968 310 Q CA -1.806 54.151 55.803 0.256 0.000 0.877 310 Q CB 1.513 30.331 28.738 0.134 0.000 1.253 310 Q HN 0.086 8.435 8.270 0.131 0.000 0.448 311 G N 8.107 117.069 108.800 0.270 0.000 2.602 311 G HA2 -0.544 3.451 3.960 0.057 0.000 0.310 311 G HA3 -0.544 3.462 3.960 0.075 0.000 0.310 311 G C -0.957 173.862 174.900 -0.134 0.000 1.183 311 G CA 1.283 46.432 45.100 0.082 0.000 0.979 311 G HN 0.709 9.210 8.290 0.352 0.000 0.545 312 E N 1.704 121.740 120.200 -0.273 0.000 2.548 312 E HA 0.119 3.913 4.350 -0.927 0.000 0.206 312 E C -0.652 175.993 176.600 0.076 0.000 1.005 312 E CA -0.967 55.098 56.400 -0.557 0.000 0.951 312 E CB 1.249 30.428 29.700 -0.868 0.000 1.035 312 E HN -0.108 8.051 8.360 -0.146 0.113 0.470 313 Y N 1.902 122.294 120.300 0.153 0.000 2.367 313 Y HA 0.024 4.699 4.550 0.208 0.000 0.342 313 Y C -2.234 173.801 175.900 0.226 0.000 0.979 313 Y CA -0.541 57.682 58.100 0.205 0.000 1.161 313 Y CB 1.530 40.086 38.460 0.160 0.000 1.155 313 Y HN -0.302 8.181 8.280 0.338 0.000 0.503 314 A N 8.182 130.880 122.820 -0.202 0.000 2.404 314 A HA 0.012 4.278 4.320 -0.331 -0.144 0.273 314 A C -0.440 176.939 177.584 -0.342 0.000 1.144 314 A CA 0.013 51.862 52.037 -0.312 0.000 0.806 314 A CB 0.211 19.001 19.000 -0.350 0.000 1.080 314 A HN 0.472 8.402 8.150 -0.367 0.000 0.509 315 V N -0.172 119.564 119.914 -0.296 0.000 3.565 315 V HA 0.198 4.241 4.120 -0.129 0.000 0.260 315 V C -1.276 174.688 176.094 -0.217 0.000 1.231 315 V CA 0.048 62.202 62.300 -0.244 0.000 1.100 315 V CB 1.181 32.779 31.823 -0.375 0.000 0.807 315 V HN 0.287 8.246 8.190 -0.385 0.000 0.454 316 A N -0.516 122.178 122.820 -0.210 0.000 2.594 316 A HA 0.393 4.645 4.320 -0.112 0.000 0.296 316 A C -2.370 175.132 177.584 -0.136 0.000 1.061 316 A CA 0.512 52.481 52.037 -0.112 0.000 0.689 316 A CB 2.122 21.125 19.000 0.005 0.000 1.280 316 A HN -0.821 7.171 8.150 -0.263 0.000 0.406 317 T N -2.134 112.352 114.554 -0.114 0.000 2.912 317 T HA 1.021 5.487 4.350 -0.156 -0.209 0.299 317 T C -1.056 173.591 174.700 -0.089 0.000 1.052 317 T CA -1.879 60.146 62.100 -0.125 0.000 0.996 317 T CB 2.545 71.342 68.868 -0.117 0.000 1.070 317 T HN -0.241 7.942 8.240 -0.094 0.000 0.465 318 S N 3.097 118.742 115.700 -0.093 0.000 2.880 318 S HA 0.338 4.780 4.470 -0.047 0.000 0.308 318 S C -2.468 172.102 174.600 -0.050 0.000 1.195 318 S CA -1.048 57.119 58.200 -0.054 0.000 0.866 318 S CB 1.192 64.377 63.200 -0.025 0.000 1.254 318 S HN 0.682 8.920 8.310 -0.120 0.000 0.571 319 S N 0.503 116.198 115.700 -0.008 0.000 2.548 319 S HA 0.921 5.579 4.470 0.010 -0.182 0.286 319 S C -2.512 172.132 174.600 0.073 0.000 1.098 319 S CA -1.481 56.728 58.200 0.016 0.000 0.930 319 S CB 2.225 65.420 63.200 -0.008 0.000 1.070 319 S HN 0.074 8.386 8.310 0.003 0.000 0.480 320 V N 1.543 121.534 119.914 0.128 0.000 3.048 320 V HA 0.438 4.623 4.120 0.108 0.000 0.303 320 V C -2.908 173.281 176.094 0.159 0.000 1.214 320 V CA -1.702 60.688 62.300 0.150 0.000 0.984 320 V CB 4.329 36.286 31.823 0.224 0.000 1.054 320 V HN 0.435 8.712 8.190 0.145 0.000 0.430 321 T N 7.929 122.545 114.554 0.104 0.000 2.829 321 T HA 0.668 5.269 4.350 0.133 -0.171 0.280 321 T C -1.050 173.686 174.700 0.062 0.000 0.999 321 T CA -1.017 61.137 62.100 0.092 0.000 0.983 321 T CB 1.626 70.520 68.868 0.043 0.000 0.968 321 T HN -0.041 8.247 8.240 0.080 0.000 0.446 322 V N 5.178 125.137 119.914 0.076 0.000 2.555 322 V HA 0.259 4.355 4.120 -0.040 0.000 0.302 322 V C -1.500 174.593 176.094 -0.001 0.000 1.038 322 V CA -1.891 60.407 62.300 -0.002 0.000 0.887 322 V CB 2.457 34.244 31.823 -0.060 0.000 0.991 322 V HN 0.730 8.998 8.190 0.130 0.000 0.434 323 S N 5.109 120.789 115.700 -0.033 0.000 2.536 323 S HA 0.294 4.752 4.470 -0.019 0.000 0.298 323 S C -1.154 173.416 174.600 -0.050 0.000 1.083 323 S CA -1.772 56.410 58.200 -0.030 0.000 0.995 323 S CB 3.081 66.266 63.200 -0.025 0.000 1.058 323 S HN 0.488 8.770 8.310 -0.048 0.000 0.488 324 A N 2.381 125.175 122.820 -0.044 0.000 2.546 324 A HA -0.203 4.097 4.320 -0.070 -0.021 0.243 324 A C 0.855 178.407 177.584 -0.053 0.000 1.063 324 A CA 1.315 53.320 52.037 -0.054 0.000 0.757 324 A CB -0.196 18.778 19.000 -0.043 0.000 0.991 324 A HN 0.455 8.585 8.150 -0.034 0.000 0.503 325 G N 2.344 111.106 108.800 -0.064 0.000 2.176 325 G HA2 -0.401 3.532 3.960 -0.045 0.000 0.253 325 G HA3 -0.401 3.524 3.960 -0.058 0.000 0.253 325 G C -0.928 173.939 174.900 -0.056 0.000 0.979 325 G CA 0.180 45.246 45.100 -0.055 0.000 0.641 325 G HN 0.358 8.495 8.290 -0.077 0.106 0.530 326 S N -0.021 115.640 115.700 -0.065 0.000 2.568 326 S HA 0.323 4.761 4.470 -0.054 0.000 0.293 326 S C -1.517 173.036 174.600 -0.080 0.000 1.089 326 S CA -1.653 56.510 58.200 -0.061 0.000 0.945 326 S CB 1.570 64.741 63.200 -0.048 0.000 1.077 326 S HN -0.605 7.613 8.310 -0.073 0.048 0.485 327 T N 7.026 121.537 114.554 -0.071 0.000 2.749 327 T HA 0.404 4.880 4.350 -0.106 -0.190 0.287 327 T C -0.239 174.424 174.700 -0.062 0.000 0.970 327 T CA 0.066 62.117 62.100 -0.082 0.000 0.980 327 T CB 1.216 70.038 68.868 -0.076 0.000 0.924 327 T HN 0.314 8.518 8.240 -0.060 0.000 0.456 328 T N 11.687 126.202 114.554 -0.065 0.000 2.761 328 T HA 0.067 4.402 4.350 -0.024 0.000 0.296 328 T C -0.599 174.094 174.700 -0.011 0.000 0.934 328 T CA 0.826 62.907 62.100 -0.030 0.000 1.091 328 T CB 0.789 69.645 68.868 -0.019 0.000 0.896 328 T HN 0.775 8.962 8.240 -0.089 0.000 0.515 329 T N 9.200 123.749 114.554 -0.008 0.000 2.749 329 T HA 0.425 4.979 4.350 -0.022 -0.217 0.295 329 T C -0.514 174.205 174.700 0.032 0.000 0.936 329 T CA 0.870 62.965 62.100 -0.008 0.000 1.060 329 T CB 0.808 69.661 68.868 -0.025 0.000 0.904 329 T HN 0.325 8.559 8.240 -0.010 0.000 0.500 330 K N 7.937 128.381 120.400 0.072 0.000 2.615 330 K HA 0.228 4.604 4.320 0.093 0.000 0.249 330 K C -1.734 174.977 176.600 0.185 0.000 0.977 330 K CA -0.688 55.680 56.287 0.135 0.000 0.833 330 K CB 2.317 34.941 32.500 0.207 0.000 1.208 330 K HN 0.360 8.646 8.250 0.059 0.000 0.443 331 N N 5.690 124.457 118.700 0.112 0.000 2.458 331 N HA 0.098 5.027 4.740 0.172 -0.086 0.271 331 N C -1.133 174.439 175.510 0.103 0.000 1.210 331 N CA -0.453 52.668 53.050 0.118 0.000 0.978 331 N CB 1.502 40.015 38.487 0.045 0.000 1.206 331 N HN 0.029 8.454 8.380 0.074 0.000 0.536 332 I N -2.086 118.511 120.570 0.045 0.000 2.752 332 I HA 0.390 4.556 4.170 -0.007 0.000 0.295 332 I C -2.313 173.740 176.117 -0.106 0.000 1.219 332 I CA -1.035 60.237 61.300 -0.046 0.000 1.030 332 I CB 3.632 41.565 38.000 -0.113 0.000 1.259 332 I HN -0.308 7.928 8.210 0.043 0.000 0.423 333 S N 5.511 121.216 115.700 0.008 0.000 2.537 333 S HA 1.122 5.848 4.470 0.119 -0.185 0.270 333 S C -1.244 173.425 174.600 0.115 0.000 1.142 333 S CA -1.528 56.720 58.200 0.080 0.000 0.870 333 S CB 3.386 66.606 63.200 0.033 0.000 1.112 333 S HN -0.001 8.324 8.310 0.026 0.000 0.466 334 G N 0.067 108.936 108.800 0.115 0.000 2.356 334 G HA2 0.311 4.242 3.960 -0.050 0.000 0.294 334 G HA3 0.311 4.256 3.960 -0.025 0.000 0.294 334 G C -2.952 171.879 174.900 -0.115 0.000 1.423 334 G CA 0.458 45.543 45.100 -0.024 0.000 0.806 334 G HN -0.017 8.376 8.290 0.171 0.000 0.527 335 S N -2.228 113.395 115.700 -0.129 0.000 2.588 335 S HA 0.168 4.527 4.470 -0.184 0.000 0.269 335 S C -1.103 173.410 174.600 -0.146 0.000 1.157 335 S CA -1.102 57.013 58.200 -0.143 0.000 0.824 335 S CB 2.903 66.048 63.200 -0.092 0.000 1.126 335 S HN -0.048 8.195 8.310 -0.112 0.000 0.464 336 V N 1.899 121.711 119.914 -0.171 0.000 2.508 336 V HA -0.097 3.886 4.120 -0.229 0.000 0.281 336 V C 0.110 176.039 176.094 -0.275 0.000 1.041 336 V CA 0.744 62.889 62.300 -0.259 0.000 1.016 336 V CB 0.263 31.841 31.823 -0.408 0.000 0.984 336 V HN 0.257 8.350 8.190 -0.161 0.000 0.478 337 K N 8.696 128.914 120.400 -0.304 0.000 2.323 337 K HA 0.410 4.567 4.320 -0.272 0.000 0.259 337 K C -0.238 176.085 176.600 -0.461 0.000 0.947 337 K CA -0.723 55.383 56.287 -0.301 0.000 0.819 337 K CB 1.136 33.512 32.500 -0.207 0.000 1.109 337 K HN 0.337 8.407 8.250 -0.300 0.000 0.429 338 T N -0.556 113.652 114.554 -0.577 0.000 2.964 338 T HA 0.449 4.015 4.350 -1.306 0.000 0.161 338 T C -0.471 173.654 174.700 -0.959 0.000 0.859 338 T CA -1.211 60.189 62.100 -1.167 0.000 1.015 338 T CB 1.543 69.656 68.868 -1.259 0.000 2.138 338 T HN 0.254 8.219 8.240 -0.459 0.000 0.367 339 G N 0.782 109.191 108.800 -0.652 0.000 2.474 339 G HA2 0.036 4.035 3.960 0.064 0.000 0.234 339 G HA3 0.036 3.925 3.960 -0.118 0.000 0.234 339 G C -2.377 172.509 174.900 -0.023 0.000 1.204 339 G CA 0.501 45.520 45.100 -0.136 0.000 0.939 339 G HN -0.159 7.744 8.290 -0.644 0.000 0.491 340 T N 4.303 118.906 114.554 0.081 0.000 2.727 340 T HA 0.028 4.398 4.350 0.033 0.000 0.295 340 T C -0.631 174.128 174.700 0.098 0.000 0.915 340 T CA 0.642 62.780 62.100 0.064 0.000 1.066 340 T CB -0.188 68.713 68.868 0.056 0.000 0.891 340 T HN 0.008 8.319 8.240 0.119 0.000 0.516 341 T N 9.846 124.438 114.554 0.063 0.000 2.814 341 T HA -0.055 4.468 4.350 0.095 -0.116 0.297 341 T C 0.003 174.720 174.700 0.029 0.000 0.956 341 T CA 1.184 63.318 62.100 0.056 0.000 1.123 341 T CB 0.218 69.105 68.868 0.031 0.000 0.902 341 T HN 0.452 8.715 8.240 0.039 0.000 0.528 342 I N 8.513 129.066 120.570 -0.029 0.000 2.296 342 I HA -0.204 4.000 4.170 0.056 0.000 0.242 342 I C 0.059 176.216 176.117 0.067 0.000 1.087 342 I CA 2.012 63.310 61.300 -0.004 0.000 1.393 342 I CB 0.861 38.823 38.000 -0.063 0.000 1.093 342 I HN 0.496 8.658 8.210 -0.079 0.000 0.421 343 F N -4.771 115.134 119.950 -0.075 0.000 2.668 343 F HA 0.362 4.871 4.527 -0.030 0.000 0.309 343 F C -2.646 173.116 175.800 -0.062 0.000 1.117 343 F CA -2.036 55.923 58.000 -0.068 0.000 0.951 343 F CB 2.779 41.719 39.000 -0.099 0.000 1.323 343 F HN -0.784 7.223 8.300 -0.489 0.000 0.451 344 K N 2.024 122.567 120.400 0.238 0.000 2.513 344 K HA 0.549 5.032 4.320 0.008 -0.159 0.251 344 K C -1.840 174.763 176.600 0.004 0.000 0.939 344 K CA -0.864 55.460 56.287 0.063 0.000 0.793 344 K CB 3.513 36.005 32.500 -0.014 0.000 1.241 344 K HN 0.003 8.420 8.250 0.278 0.000 0.431 345 I N 5.814 126.286 120.570 -0.163 0.000 2.382 345 I HA 0.195 4.116 4.170 -0.415 0.000 0.285 345 I C -1.247 174.560 176.117 -0.516 0.000 1.007 345 I CA -0.971 60.049 61.300 -0.466 0.000 1.142 345 I CB 1.526 39.008 38.000 -0.863 0.000 1.289 345 I HN 0.658 8.769 8.210 -0.166 0.000 0.453 346 G N 6.144 114.648 108.800 -0.494 0.000 2.698 346 G HA2 -0.289 3.578 3.960 -0.157 0.000 0.225 346 G HA3 -0.289 3.469 3.960 -0.338 0.000 0.225 346 G C -1.543 173.187 174.900 -0.284 0.000 1.345 346 G CA -0.438 44.466 45.100 -0.327 0.000 0.871 346 G HN 0.214 8.226 8.290 -0.463 0.000 0.540 347 E N -1.606 118.457 120.200 -0.229 0.000 2.312 347 E HA 0.289 4.457 4.350 -0.302 0.000 0.267 347 E C -0.688 175.699 176.600 -0.355 0.000 0.894 347 E CA -1.578 54.666 56.400 -0.260 0.000 0.773 347 E CB 3.222 32.864 29.700 -0.097 0.000 1.241 347 E HN 0.079 8.367 8.360 -0.119 0.000 0.432 348 W N 2.247 123.460 121.300 -0.145 0.000 2.110 348 W HA -0.089 4.411 4.660 -0.265 0.000 0.450 348 W C -0.386 176.015 176.519 -0.196 0.000 0.893 348 W CA -0.308 56.852 57.345 -0.309 0.000 1.688 348 W CB -0.846 28.245 29.460 -0.616 0.000 1.779 348 W HN 0.508 8.609 8.180 -0.131 0.000 0.300 349 D N -3.149 117.317 120.400 0.110 0.000 2.556 349 D HA 0.159 5.054 4.640 0.176 -0.150 0.237 349 D C 0.901 177.280 176.300 0.131 0.000 1.296 349 D CA -1.855 52.221 54.000 0.125 0.000 0.807 349 D CB 1.177 42.001 40.800 0.039 0.000 1.084 349 D HN -0.585 8.013 8.370 0.063 -0.190 0.510 350 G N -0.507 108.441 108.800 0.246 0.000 2.203 350 G HA2 -0.547 3.507 3.960 0.156 0.000 0.263 350 G HA3 -0.547 3.695 3.960 0.272 -0.119 0.263 350 G C -1.287 173.648 174.900 0.059 0.000 1.012 350 G CA 1.194 46.407 45.100 0.189 0.000 0.749 350 G HN -0.441 8.337 8.290 0.343 -0.282 0.512 351 Q N -2.522 117.255 119.800 -0.040 0.000 2.501 351 Q HA 0.394 4.580 4.340 -0.257 0.000 0.288 351 Q C -2.550 173.307 176.000 -0.238 0.000 1.051 351 Q CA -3.144 52.527 55.803 -0.220 0.000 0.788 351 Q CB 2.487 31.036 28.738 -0.315 0.000 1.469 351 Q HN -0.549 8.032 8.270 -0.026 -0.326 0.416 352 P HA 0.283 4.444 4.420 -0.641 -0.125 0.253 352 P C -0.871 176.392 177.300 -0.061 0.000 1.459 352 P CA -0.408 62.466 63.100 -0.376 0.000 0.908 352 P CB -0.172 31.344 31.700 -0.306 0.000 1.470 353 T N -2.102 112.421 114.554 -0.052 0.000 2.934 353 T HA -0.312 4.024 4.350 -0.024 0.000 0.306 353 T C 1.051 175.850 174.700 0.165 0.000 1.042 353 T CA 2.031 64.138 62.100 0.012 0.000 1.145 353 T CB 0.250 69.087 68.868 -0.051 0.000 0.982 353 T HN -0.304 7.769 8.240 -0.126 0.091 0.544 354 G N 3.802 112.659 108.800 0.095 0.000 2.268 354 G HA2 -0.332 3.616 3.960 -0.021 0.000 0.240 354 G HA3 -0.332 3.623 3.960 -0.009 0.000 0.240 354 G C -0.948 173.965 174.900 0.022 0.000 1.010 354 G CA 0.381 45.498 45.100 0.028 0.000 0.618 354 G HN 0.323 8.644 8.290 0.052 0.000 0.516 355 F N 0.339 120.259 119.950 -0.050 0.000 2.403 355 F HA -0.046 4.660 4.527 0.011 -0.172 0.320 355 F C 0.626 176.414 175.800 -0.020 0.000 1.176 355 F CA 0.132 58.130 58.000 -0.003 0.000 1.206 355 F CB 0.991 40.023 39.000 0.053 0.000 1.235 355 F HN -0.692 7.813 8.300 0.575 0.140 0.565 356 R N 0.727 121.321 120.500 0.158 0.000 2.502 356 R HA -0.388 3.923 4.340 -0.048 0.000 0.292 356 R C 0.047 176.292 176.300 -0.091 0.000 0.998 356 R CA 2.385 58.477 56.100 -0.013 0.000 1.056 356 R CB 0.153 30.414 30.300 -0.064 0.000 0.939 356 R HN 0.181 8.568 8.270 0.195 0.000 0.411 357 N N 0.305 118.903 118.700 -0.170 0.000 2.936 357 N HA -0.411 4.396 4.740 -0.210 -0.194 0.236 357 N C 0.343 175.810 175.510 -0.072 0.000 0.930 357 N CA 2.572 55.492 53.050 -0.218 0.000 0.966 357 N CB -1.771 36.388 38.487 -0.547 0.000 1.090 357 N HN 0.752 9.042 8.380 -0.150 0.000 0.592 358 A N -0.760 122.055 122.820 -0.009 0.000 1.877 358 A HA -0.275 4.050 4.320 0.009 0.000 0.216 358 A C 0.843 178.398 177.584 -0.048 0.000 1.186 358 A CA 3.341 55.374 52.037 -0.006 0.000 0.620 358 A CB -0.122 18.885 19.000 0.011 0.000 0.822 358 A HN -0.485 7.615 8.150 0.013 0.057 0.443 359 A N -2.155 120.635 122.820 -0.049 0.000 1.898 359 A HA -0.306 3.980 4.320 -0.056 0.000 0.216 359 A C 2.325 179.867 177.584 -0.069 0.000 1.181 359 A CA 2.738 54.742 52.037 -0.054 0.000 0.620 359 A CB -1.073 17.903 19.000 -0.040 0.000 0.819 359 A HN 0.445 8.569 8.150 -0.042 0.000 0.442 360 N N -2.240 116.411 118.700 -0.081 0.000 2.166 360 N HA -0.313 4.365 4.740 -0.103 0.000 0.186 360 N C 2.137 177.565 175.510 -0.137 0.000 1.019 360 N CA 2.594 55.580 53.050 -0.106 0.000 0.856 360 N CB -0.739 37.680 38.487 -0.114 0.000 0.993 360 N HN -0.400 7.931 8.380 -0.081 0.000 0.426 361 Q N 0.545 120.289 119.800 -0.093 0.000 2.226 361 Q HA -0.182 4.214 4.340 -0.115 -0.125 0.204 361 Q C 1.811 177.730 176.000 -0.134 0.000 0.975 361 Q CA 2.755 58.508 55.803 -0.085 0.000 0.866 361 Q CB -0.352 28.405 28.738 0.032 0.000 0.915 361 Q HN -0.302 7.909 8.270 -0.064 0.020 0.440 362 L N -3.422 117.733 121.223 -0.113 0.000 2.275 362 L HA -0.176 4.143 4.340 -0.035 0.000 0.215 362 L C 0.802 177.545 176.870 -0.211 0.000 1.119 362 L CA 2.159 56.938 54.840 -0.103 0.000 0.790 362 L CB -0.207 41.799 42.059 -0.088 0.000 0.919 362 L HN -0.696 7.454 8.230 -0.098 0.022 0.443 363 R N -7.586 112.706 120.500 -0.347 0.000 2.549 363 R HA 0.222 4.371 4.340 -0.317 0.000 0.361 363 R C -1.104 174.770 176.300 -0.710 0.000 0.969 363 R CA -1.512 54.348 56.100 -0.400 0.000 1.158 363 R CB 1.757 31.953 30.300 -0.173 0.000 1.456 363 R HN -0.332 7.587 8.270 -0.321 0.158 0.540 364 M N -7.248 111.760 119.600 -0.986 0.000 2.732 364 M HA 0.226 4.132 4.480 -0.958 0.000 0.272 364 M C -3.197 172.768 176.300 -0.559 0.000 1.203 364 M CA -0.588 54.239 55.300 -0.788 0.000 0.841 364 M CB 2.714 35.154 32.600 -0.266 0.000 1.685 364 M HN -0.724 7.057 8.290 -0.848 0.000 0.492 365 H N 1.545 120.478 119.070 -0.228 0.000 2.551 365 H HA 0.400 4.932 4.556 -0.041 0.000 0.358 365 H C -0.603 174.622 175.328 -0.171 0.000 1.151 365 H CA 0.119 56.118 56.048 -0.081 0.000 1.374 365 H CB 2.474 32.251 29.762 0.025 0.000 1.473 365 H HN 0.074 8.405 8.280 0.085 0.000 0.574 366 P HA -0.124 4.274 4.420 -0.036 0.000 0.221 366 P C 0.288 177.292 177.300 -0.492 0.000 1.145 366 P CA 2.100 64.840 63.100 -0.600 0.000 0.795 366 P CB 0.257 31.080 31.700 -1.463 0.000 0.775 367 S N -5.340 110.180 115.700 -0.301 0.000 2.562 367 S HA -0.189 4.365 4.470 0.140 0.000 0.221 367 S C -0.136 174.540 174.600 0.127 0.000 0.975 367 S CA 0.142 58.399 58.200 0.095 0.000 0.918 367 S CB 0.046 63.426 63.200 0.300 0.000 0.772 367 S HN -0.570 7.686 8.310 -0.038 0.031 0.531 368 D N 2.988 123.442 120.400 0.091 0.000 2.488 368 D HA -0.096 4.584 4.640 0.067 0.000 0.238 368 D C 1.829 178.155 176.300 0.043 0.000 1.138 368 D CA 1.454 55.491 54.000 0.060 0.000 0.873 368 D CB 1.534 42.350 40.800 0.027 0.000 1.183 368 D HN -0.720 7.536 8.370 0.072 0.157 0.458 369 S N 7.177 122.898 115.700 0.035 0.000 2.469 369 S HA -0.260 4.230 4.470 0.033 0.000 0.238 369 S C 0.998 175.595 174.600 -0.004 0.000 0.998 369 S CA 2.300 60.513 58.200 0.023 0.000 0.957 369 S CB -0.144 63.068 63.200 0.021 0.000 0.764 369 S HN 0.755 9.087 8.310 0.037 0.000 0.514 370 R N -0.845 119.646 120.500 -0.014 0.000 2.276 370 R HA -0.017 4.302 4.340 -0.034 0.000 0.203 370 R C 0.323 176.579 176.300 -0.072 0.000 1.017 370 R CA 0.327 56.405 56.100 -0.037 0.000 1.010 370 R CB 0.206 30.487 30.300 -0.032 0.000 0.900 370 R HN -0.605 7.930 8.270 -0.007 -0.269 0.469 371 M N -1.616 117.934 119.600 -0.083 0.000 2.248 371 M HA -0.176 4.187 4.480 -0.195 0.000 0.337 371 M C 0.522 176.698 176.300 -0.207 0.000 1.121 371 M CA 0.246 55.443 55.300 -0.172 0.000 1.155 371 M CB -0.000 32.502 32.600 -0.163 0.000 1.514 371 M HN -0.767 7.458 8.290 -0.051 0.034 0.452 372 S N 2.795 118.320 115.700 -0.292 0.000 2.614 372 S HA 0.092 4.453 4.470 -0.180 0.000 0.265 372 S C -0.368 174.015 174.600 -0.362 0.000 1.303 372 S CA -0.093 57.949 58.200 -0.265 0.000 1.000 372 S CB 0.633 63.692 63.200 -0.235 0.000 0.935 372 S HN -0.029 8.358 8.310 -0.323 -0.270 0.551 373 S N 0.495 116.068 115.700 -0.211 0.000 2.546 373 S HA -0.086 4.337 4.470 -0.080 0.000 0.290 373 S C 1.451 175.947 174.600 -0.173 0.000 1.290 373 S CA 0.353 58.474 58.200 -0.131 0.000 1.069 373 S CB 0.516 63.692 63.200 -0.040 0.000 0.846 373 S HN -0.083 8.135 8.310 -0.153 0.000 0.495 374 W N 6.287 127.611 121.300 0.040 0.000 2.518 374 W HA -0.149 4.555 4.660 0.072 0.000 0.273 374 W C 0.251 176.790 176.519 0.034 0.000 1.247 374 W CA 1.430 58.814 57.345 0.066 0.000 1.288 374 W CB 0.538 30.073 29.460 0.125 0.000 1.107 374 W HN 0.622 8.941 8.180 0.230 0.000 0.586 375 G N -2.568 106.354 108.800 0.203 0.000 2.342 375 G HA2 -0.175 3.894 3.960 0.097 0.000 0.220 375 G HA3 -0.175 3.824 3.960 0.064 0.000 0.220 375 G C -2.955 172.000 174.900 0.092 0.000 1.243 375 G CA -1.031 44.134 45.100 0.107 0.000 1.083 375 G HN -0.803 7.599 8.290 0.186 0.000 0.500 376 P HA 0.016 4.460 4.420 0.040 0.000 0.266 376 P C -0.351 176.959 177.300 0.017 0.000 1.195 376 P CA 0.337 63.458 63.100 0.035 0.000 0.768 376 P CB 0.419 32.133 31.700 0.023 0.000 0.838 377 L N 1.766 122.985 121.223 -0.006 0.000 2.714 377 L HA 0.370 4.707 4.340 -0.005 0.000 0.184 377 L C 0.447 177.313 176.870 -0.008 0.000 1.317 377 L CA 0.446 55.279 54.840 -0.012 0.000 2.279 377 L CB -0.595 41.448 42.059 -0.026 0.000 2.140 377 L HN -0.009 8.207 8.230 -0.024 0.000 1.029 378 T N -1.140 113.413 114.554 -0.001 0.000 3.609 378 T HA 0.061 4.433 4.350 0.037 0.000 0.422 378 T C -2.167 172.565 174.700 0.053 0.000 1.055 378 T CA 0.944 63.058 62.100 0.025 0.000 1.036 378 T CB 0.681 69.555 68.868 0.009 0.000 1.350 378 T HN -0.341 nan 8.240 nan 0.000 0.425 379 Y N 8.229 128.508 120.300 -0.035 0.000 2.335 379 Y HA 0.106 4.643 4.550 -0.022 0.000 0.339 379 Y C -1.821 174.062 175.900 -0.030 0.000 0.987 379 Y CA -1.242 56.852 58.100 -0.010 0.000 1.140 379 Y CB 2.799 41.320 38.460 0.101 0.000 1.173 379 Y HN 0.411 8.817 8.280 0.209 0.000 0.486 380 T N 10.697 125.049 114.554 -0.338 0.000 2.770 380 T HA 0.293 4.759 4.350 -0.102 -0.178 0.297 380 T C -0.725 173.740 174.700 -0.393 0.000 0.997 380 T CA -0.384 61.572 62.100 -0.241 0.000 0.949 380 T CB 0.616 69.380 68.868 -0.175 0.000 0.941 380 T HN 0.427 8.384 8.240 -0.472 0.000 0.457 381 V N 7.987 127.786 119.914 -0.192 0.000 2.540 381 V HA -0.369 3.671 4.120 -0.134 0.000 0.297 381 V C 1.085 177.115 176.094 -0.107 0.000 1.024 381 V CA 1.821 64.041 62.300 -0.133 0.000 1.105 381 V CB -0.827 30.928 31.823 -0.113 0.000 0.938 381 V HN 0.238 8.373 8.190 -0.092 0.000 0.482 382 G N 7.096 115.826 108.800 -0.115 0.000 2.213 382 G HA2 -0.330 3.601 3.960 -0.049 0.000 0.226 382 G HA3 -0.330 3.600 3.960 -0.051 0.000 0.226 382 G C -0.294 174.538 174.900 -0.113 0.000 0.992 382 G CA 0.695 45.749 45.100 -0.077 0.000 0.632 382 G HN 0.747 8.959 8.290 -0.131 0.000 0.511 383 S N 0.450 116.038 115.700 -0.187 0.000 2.930 383 S HA 0.061 4.452 4.470 -0.133 0.000 0.253 383 S C 0.361 174.818 174.600 -0.238 0.000 1.083 383 S CA -0.207 57.886 58.200 -0.178 0.000 0.836 383 S CB 2.156 65.263 63.200 -0.154 0.000 0.814 383 S HN -0.163 7.934 8.310 -0.252 0.061 0.467 384 S N 4.361 119.815 115.700 -0.410 0.000 2.576 384 S HA -0.114 4.175 4.470 -0.301 0.000 0.276 384 S C -1.019 173.372 174.600 -0.348 0.000 1.339 384 S CA 1.093 59.014 58.200 -0.465 0.000 1.039 384 S CB 0.836 63.517 63.200 -0.865 0.000 0.902 384 S HN -0.523 7.479 8.310 -0.515 0.000 0.516 385 A N 2.917 125.639 122.820 -0.163 0.000 2.286 385 A HA 0.245 4.526 4.320 -0.065 0.000 0.286 385 A C 0.670 178.292 177.584 0.064 0.000 1.097 385 A CA -1.164 50.837 52.037 -0.060 0.000 0.821 385 A CB 1.741 20.708 19.000 -0.056 0.000 1.076 385 A HN -0.127 8.164 8.150 -0.140 -0.225 0.490 386 L N -0.653 120.584 121.223 0.023 0.000 2.127 386 L HA -0.227 4.107 4.340 -0.011 0.000 0.211 386 L C 0.659 177.480 176.870 -0.082 0.000 1.089 386 L CA 2.707 57.502 54.840 -0.075 0.000 0.757 386 L CB -0.618 41.288 42.059 -0.255 0.000 0.899 386 L HN 0.485 8.700 8.230 -0.026 0.000 0.434 387 T N -7.072 107.455 114.554 -0.044 0.000 3.227 387 T HA -0.206 4.207 4.350 -0.024 -0.077 0.257 387 T C 0.656 175.357 174.700 0.002 0.000 1.162 387 T CA 1.779 63.863 62.100 -0.027 0.000 1.051 387 T CB -1.281 67.562 68.868 -0.042 0.000 0.953 387 T HN -0.185 8.017 8.240 -0.046 0.010 0.535 388 D N 1.425 121.862 120.400 0.062 0.000 2.369 388 D HA 0.090 4.742 4.640 0.020 0.000 0.211 388 D C -0.570 175.832 176.300 0.170 0.000 1.077 388 D CA 0.365 54.414 54.000 0.082 0.000 0.842 388 D CB 0.852 41.685 40.800 0.054 0.000 0.947 388 D HN -0.132 8.105 8.370 0.095 0.191 0.509 389 F N 2.106 122.069 119.950 0.022 0.000 2.410 389 F HA 0.273 4.787 4.527 -0.022 0.000 0.349 389 F C -2.194 173.636 175.800 0.050 0.000 1.117 389 F CA -2.422 55.535 58.000 -0.072 0.000 1.104 389 F CB 2.585 41.310 39.000 -0.457 0.000 1.122 389 F HN -0.444 7.875 8.300 0.221 0.114 0.483 390 P HA 0.011 4.521 4.420 0.149 0.000 0.271 390 P C -1.256 176.308 177.300 0.440 0.000 1.216 390 P CA -0.360 62.838 63.100 0.164 0.000 0.771 390 P CB 0.916 32.708 31.700 0.153 0.000 0.864 391 M N -1.472 118.398 119.600 0.450 0.000 2.374 391 M HA -0.247 4.378 4.480 0.242 0.000 0.264 391 M C -1.181 175.328 176.300 0.347 0.000 1.067 391 M CA 2.768 58.275 55.300 0.344 0.000 1.103 391 M CB -0.005 32.736 32.600 0.235 0.000 1.402 391 M HN -0.218 8.295 8.290 0.371 0.000 0.444 392 A N -3.109 119.948 122.820 0.395 0.000 2.572 392 A HA 0.576 4.927 4.320 -0.151 -0.121 0.295 392 A C -2.178 175.323 177.584 -0.139 0.000 1.072 392 A CA -1.100 50.900 52.037 -0.062 0.000 0.691 392 A CB 3.117 21.863 19.000 -0.423 0.000 1.291 392 A HN -0.941 7.509 8.150 0.561 0.037 0.404 393 V N 0.072 119.620 119.914 -0.611 0.000 2.540 393 V HA 0.292 4.491 4.120 -0.150 -0.169 0.302 393 V C -2.360 173.313 176.094 -0.702 0.000 1.035 393 V CA -2.015 60.008 62.300 -0.461 0.000 0.873 393 V CB 3.604 35.239 31.823 -0.314 0.000 0.992 393 V HN -0.102 7.493 8.190 -0.991 0.000 0.428 394 F N 6.917 126.716 119.950 -0.252 0.000 2.482 394 F HA 0.543 5.078 4.527 -0.214 -0.136 0.331 394 F C 0.816 176.517 175.800 -0.165 0.000 1.115 394 F CA -1.657 56.207 58.000 -0.225 0.000 0.955 394 F CB 2.464 41.300 39.000 -0.275 0.000 1.136 394 F HN 0.754 9.481 8.300 0.103 -0.365 0.452 395 K N 5.304 125.724 120.400 0.033 0.000 2.160 395 K HA -0.298 4.018 4.320 -0.007 0.000 0.206 395 K C 0.249 176.847 176.600 -0.003 0.000 1.047 395 K CA 2.893 59.184 56.287 0.007 0.000 0.930 395 K CB 0.076 32.581 32.500 0.009 0.000 0.720 395 K HN 0.449 8.717 8.250 0.030 0.000 0.450 396 S N -3.476 112.214 115.700 -0.017 0.000 2.754 396 S HA 0.279 4.716 4.470 -0.055 0.000 0.247 396 S C -0.631 173.881 174.600 -0.147 0.000 1.031 396 S CA -0.276 57.881 58.200 -0.072 0.000 1.014 396 S CB 0.732 63.883 63.200 -0.081 0.000 0.918 396 S HN -0.514 7.769 8.310 0.002 0.029 0.519 397 V N 1.364 121.198 119.914 -0.135 0.000 3.054 397 V HA 0.094 4.064 4.120 -0.251 0.000 0.227 397 V C -0.377 175.688 176.094 -0.048 0.000 1.252 397 V CA 1.713 63.884 62.300 -0.215 0.000 1.279 397 V CB 1.159 32.670 31.823 -0.520 0.000 1.118 397 V HN -0.395 7.662 8.190 -0.049 0.103 0.504 398 N N -2.664 116.063 118.700 0.045 0.000 2.451 398 N HA -0.013 4.770 4.740 0.071 0.000 0.271 398 N C -1.336 174.210 175.510 0.061 0.000 1.410 398 N CA -1.585 51.521 53.050 0.093 0.000 0.884 398 N CB 0.441 39.055 38.487 0.211 0.000 1.332 398 N HN -0.590 7.835 8.380 0.075 0.000 0.498 399 N N 1.753 120.472 118.700 0.032 0.000 2.514 399 N HA 0.175 4.928 4.740 0.021 0.000 0.277 399 N C -1.684 173.838 175.510 0.021 0.000 1.126 399 N CA -2.445 50.617 53.050 0.020 0.000 0.978 399 N CB 1.052 39.543 38.487 0.008 0.000 1.106 399 N HN -0.538 7.856 8.380 0.022 0.000 0.461 400 P HA 0.160 4.606 4.420 0.043 0.000 0.286 400 P C -1.688 175.633 177.300 0.036 0.000 1.292 400 P CA -1.002 62.123 63.100 0.042 0.000 0.842 400 P CB 2.569 34.301 31.700 0.054 0.000 1.207 401 V N -0.155 119.788 119.914 0.049 0.000 2.498 401 V HA 0.102 4.189 4.120 -0.054 0.000 0.279 401 V C -0.204 175.917 176.094 0.046 0.000 1.048 401 V CA 0.207 62.502 62.300 -0.010 0.000 0.967 401 V CB 0.475 32.248 31.823 -0.082 0.000 0.988 401 V HN 0.001 8.242 8.190 0.086 0.000 0.473 402 T N 9.515 124.087 114.554 0.031 0.000 2.797 402 T HA 0.656 5.247 4.350 0.107 -0.176 0.279 402 T C -1.283 173.488 174.700 0.118 0.000 0.991 402 T CA -0.462 61.687 62.100 0.081 0.000 0.979 402 T CB 1.620 70.524 68.868 0.060 0.000 0.943 402 T HN -0.166 8.073 8.240 -0.001 0.000 0.444 403 I N 6.589 127.261 120.570 0.171 0.000 2.436 403 I HA 0.646 5.172 4.170 0.228 -0.220 0.289 403 I C -1.649 174.582 176.117 0.189 0.000 1.010 403 I CA -1.373 60.050 61.300 0.205 0.000 1.098 403 I CB 2.993 41.118 38.000 0.207 0.000 1.266 403 I HN 0.971 9.289 8.210 0.181 0.000 0.434 404 K N 6.400 126.880 120.400 0.133 0.000 2.206 404 K HA 0.973 5.528 4.320 0.070 -0.193 0.264 404 K C -0.958 175.713 176.600 0.118 0.000 0.967 404 K CA -2.473 53.861 56.287 0.079 0.000 0.844 404 K CB 1.970 34.472 32.500 0.004 0.000 1.099 404 K HN 0.501 8.822 8.250 0.118 0.000 0.441 405 F N 0.883 120.802 119.950 -0.053 0.000 2.631 405 F HA 0.437 4.912 4.527 -0.086 0.000 0.308 405 F C -2.546 173.264 175.800 0.017 0.000 1.097 405 F CA -1.522 56.446 58.000 -0.054 0.000 0.952 405 F CB 2.776 41.724 39.000 -0.087 0.000 1.307 405 F HN 0.248 8.442 8.300 -0.176 0.000 0.450 406 T N 3.009 117.625 114.554 0.104 0.000 2.829 406 T HA 0.495 5.007 4.350 -0.107 -0.226 0.282 406 T C -0.615 174.193 174.700 0.181 0.000 0.990 406 T CA -0.355 61.759 62.100 0.024 0.000 1.028 406 T CB 0.795 69.683 68.868 0.033 0.000 0.951 406 T HN 0.141 8.502 8.240 0.201 0.000 0.460 407 A N 7.587 130.459 122.820 0.086 0.000 2.356 407 A HA 0.755 5.384 4.320 0.241 -0.164 0.323 407 A C -1.157 176.477 177.584 0.084 0.000 1.119 407 A CA -2.027 50.110 52.037 0.166 0.000 0.790 407 A CB 3.594 22.709 19.000 0.192 0.000 1.273 407 A HN 0.488 8.627 8.150 -0.019 0.000 0.452 408 T N -1.105 113.502 114.554 0.089 0.000 2.862 408 T HA 0.358 4.734 4.350 0.042 0.000 0.276 408 T C 1.514 176.242 174.700 0.047 0.000 0.974 408 T CA -2.103 60.031 62.100 0.055 0.000 0.966 408 T CB 1.759 70.658 68.868 0.052 0.000 1.072 408 T HN 0.064 8.653 8.240 0.108 -0.284 0.538 409 S N 0.453 116.172 115.700 0.032 0.000 2.419 409 S HA -0.299 4.185 4.470 0.024 0.000 0.233 409 S C 1.055 175.673 174.600 0.029 0.000 1.016 409 S CA 2.701 60.916 58.200 0.025 0.000 0.974 409 S CB -0.596 62.614 63.200 0.017 0.000 0.786 409 S HN 0.382 8.708 8.310 0.027 0.000 0.492 410 A N -0.386 122.454 122.820 0.033 0.000 2.206 410 A HA -0.039 4.296 4.320 0.026 0.000 0.211 410 A C 0.569 178.177 177.584 0.039 0.000 1.158 410 A CA 0.914 52.970 52.037 0.032 0.000 0.761 410 A CB -0.333 18.685 19.000 0.031 0.000 0.801 410 A HN -0.658 7.483 8.150 0.036 0.030 0.473 411 Q N -3.068 116.764 119.800 0.053 0.000 2.188 411 Q HA 0.211 4.723 4.340 0.055 -0.139 0.212 411 Q C 0.629 176.669 176.000 0.067 0.000 0.846 411 Q CA -0.153 55.690 55.803 0.068 0.000 0.989 411 Q CB 0.875 29.676 28.738 0.106 0.000 1.114 411 Q HN -0.538 7.591 8.270 0.056 0.175 0.488 412 T N -2.553 112.027 114.554 0.044 0.000 3.122 412 T HA 0.068 4.447 4.350 0.049 0.000 0.250 412 T C 0.044 174.751 174.700 0.013 0.000 1.067 412 T CA -0.241 61.880 62.100 0.034 0.000 0.966 412 T CB 0.596 69.478 68.868 0.023 0.000 1.002 412 T HN -0.474 7.788 8.240 0.037 0.000 0.542 413 G N 1.118 109.923 108.800 0.008 0.000 2.570 413 G HA2 -0.023 3.933 3.960 -0.006 0.000 0.276 413 G HA3 -0.023 3.929 3.960 -0.012 0.000 0.276 413 G C -1.552 173.331 174.900 -0.029 0.000 1.346 413 G CA -1.329 43.766 45.100 -0.009 0.000 1.034 413 G HN -0.425 7.821 8.290 0.015 0.052 0.512 414 A N -1.723 121.071 122.820 -0.043 0.000 2.520 414 A HA 0.087 4.557 4.320 -0.089 -0.203 0.235 414 A C -1.095 176.436 177.584 -0.088 0.000 1.065 414 A CA 1.004 52.997 52.037 -0.072 0.000 0.764 414 A CB 0.719 19.680 19.000 -0.066 0.000 1.002 414 A HN 0.025 8.153 8.150 -0.036 0.000 0.502 415 A N 0.630 123.369 122.820 -0.136 0.000 2.593 415 A HA 0.544 4.817 4.320 -0.218 -0.083 0.290 415 A C -2.251 175.150 177.584 -0.304 0.000 1.126 415 A CA -0.742 51.169 52.037 -0.211 0.000 0.695 415 A CB 3.693 22.587 19.000 -0.177 0.000 1.290 415 A HN 0.287 8.351 8.150 -0.143 0.000 0.414 416 T N 1.126 115.345 114.554 -0.560 0.000 2.812 416 T HA 0.622 4.929 4.350 -0.357 -0.172 0.282 416 T C -1.559 172.783 174.700 -0.595 0.000 0.990 416 T CA -0.176 61.559 62.100 -0.610 0.000 0.960 416 T CB 2.294 70.612 68.868 -0.916 0.000 0.948 416 T HN 0.383 8.180 8.240 -0.738 0.000 0.438 417 L N 7.879 128.944 121.223 -0.263 0.000 2.257 417 L HA 0.433 4.773 4.340 -0.204 -0.123 0.290 417 L C -2.289 174.581 176.870 0.000 0.000 1.044 417 L CA -0.853 53.908 54.840 -0.132 0.000 0.810 417 L CB 1.838 43.894 42.059 -0.006 0.000 1.193 417 L HN 0.566 8.692 8.230 -0.173 0.000 0.425 418 R N 8.364 128.924 120.500 0.100 0.000 2.265 418 R HA 0.458 5.184 4.340 0.226 -0.250 0.328 418 R C -1.644 174.853 176.300 0.329 0.000 0.969 418 R CA -1.503 54.759 56.100 0.271 0.000 0.832 418 R CB 1.996 32.570 30.300 0.457 0.000 1.139 418 R HN 0.963 9.283 8.270 0.083 0.000 0.457 419 I N 7.645 128.409 120.570 0.323 0.000 2.388 419 I HA 0.312 4.698 4.170 0.360 0.000 0.281 419 I C -1.307 175.031 176.117 0.369 0.000 1.046 419 I CA -0.833 60.676 61.300 0.348 0.000 1.187 419 I CB 0.537 38.717 38.000 0.300 0.000 1.351 419 I HN 0.811 9.199 8.210 0.297 0.000 0.472 420 G N 7.308 116.366 108.800 0.430 0.000 2.372 420 G HA2 0.550 4.899 3.960 0.648 0.000 0.283 420 G HA3 0.550 4.749 3.960 0.399 0.000 0.283 420 G C -1.390 173.662 174.900 0.254 0.000 1.177 420 G CA -0.980 44.384 45.100 0.442 0.000 0.842 420 G HN 0.832 9.367 8.290 0.409 0.000 0.503 421 T N 2.268 116.926 114.554 0.174 0.000 2.910 421 T HA 0.726 5.237 4.350 0.089 -0.107 0.287 421 T C 0.363 175.128 174.700 0.108 0.000 1.050 421 T CA -2.556 59.596 62.100 0.087 0.000 1.011 421 T CB 3.409 72.255 68.868 -0.037 0.000 1.195 421 T HN 0.016 8.360 8.240 0.175 0.000 0.540 422 T N -3.085 111.524 114.554 0.091 0.000 3.056 422 T HA 0.153 4.569 4.350 0.110 0.000 0.243 422 T C -1.118 173.628 174.700 0.077 0.000 0.995 422 T CA 0.707 62.870 62.100 0.104 0.000 1.091 422 T CB 1.778 70.736 68.868 0.150 0.000 0.990 422 T HN 0.526 8.816 8.240 0.084 0.000 0.464 423 L N 0.777 122.046 121.223 0.075 0.000 2.526 423 L HA 0.345 4.714 4.340 0.049 0.000 0.263 423 L C -2.934 173.987 176.870 0.085 0.000 0.943 423 L CA 0.148 55.025 54.840 0.060 0.000 0.859 423 L CB 2.666 44.748 42.059 0.039 0.000 1.313 423 L HN -0.856 7.425 8.230 0.084 0.000 0.406 424 S N 4.563 120.318 115.700 0.091 0.000 2.681 424 S HA 0.659 5.364 4.470 0.150 -0.145 0.299 424 S C -1.458 173.241 174.600 0.164 0.000 1.113 424 S CA -1.442 56.831 58.200 0.121 0.000 1.013 424 S CB 2.534 65.786 63.200 0.087 0.000 1.076 424 S HN -0.194 8.159 8.310 0.072 0.000 0.534 425 F N 1.919 121.859 119.950 -0.016 0.000 2.581 425 F HA 0.249 4.764 4.527 -0.019 0.000 0.311 425 F C -1.028 174.763 175.800 -0.014 0.000 1.113 425 F CA -0.067 57.920 58.000 -0.022 0.000 0.935 425 F CB 4.041 43.022 39.000 -0.032 0.000 1.232 425 F HN -0.007 8.412 8.300 0.198 0.000 0.445 426 A N 6.288 128.663 122.820 -0.742 0.000 2.783 426 A HA -0.372 3.622 4.320 -0.543 0.000 0.292 426 A C -0.326 177.138 177.584 -0.200 0.000 1.495 426 A CA 0.964 52.684 52.037 -0.529 0.000 0.787 426 A CB -1.450 17.250 19.000 -0.501 0.000 1.017 426 A HN 1.191 8.754 8.150 -0.979 0.000 0.516 427 G N -6.430 102.286 108.800 -0.140 0.000 2.162 427 G HA2 -0.488 3.429 3.960 -0.071 0.000 0.260 427 G HA3 -0.488 3.438 3.960 -0.057 0.000 0.260 427 G C 0.207 175.094 174.900 -0.022 0.000 0.976 427 G CA -0.358 44.702 45.100 -0.067 0.000 0.655 427 G HN 0.371 8.548 8.290 -0.154 0.020 0.533 428 G N 0.758 109.566 108.800 0.014 0.000 2.340 428 G HA2 0.054 4.082 3.960 0.113 0.000 0.245 428 G HA3 0.054 4.209 3.960 0.047 -0.167 0.245 428 G C -1.660 173.279 174.900 0.065 0.000 1.294 428 G CA 0.000 45.144 45.100 0.072 0.000 0.896 428 G HN -0.486 7.773 8.290 0.014 0.039 0.522 429 R N 0.679 121.164 120.500 -0.025 0.000 2.734 429 R HA 0.542 4.516 4.340 -0.610 0.000 0.271 429 R C -3.463 172.625 176.300 -0.354 0.000 1.021 429 R CA -3.238 52.623 56.100 -0.399 0.000 0.893 429 R CB 0.148 30.156 30.300 -0.488 0.000 1.244 429 R HN -0.427 7.839 8.270 -0.006 0.000 0.464 430 P HA 0.489 5.114 4.420 0.037 -0.183 0.288 430 P C -1.014 176.161 177.300 -0.209 0.000 1.267 430 P CA -1.139 61.798 63.100 -0.271 0.000 0.815 430 P CB 1.214 32.719 31.700 -0.325 0.000 0.989 431 Q N 2.689 122.464 119.800 -0.043 0.000 2.330 431 Q HA 0.285 4.604 4.340 -0.034 0.000 0.269 431 Q C -1.807 174.219 176.000 0.044 0.000 1.022 431 Q CA -1.224 54.569 55.803 -0.017 0.000 0.796 431 Q CB 3.269 31.995 28.738 -0.020 0.000 1.271 431 Q HN 0.441 8.719 8.270 0.013 0.000 0.450 432 A N 6.697 129.554 122.820 0.061 0.000 2.337 432 A HA 1.097 5.705 4.320 0.126 -0.213 0.329 432 A C -1.217 176.423 177.584 0.092 0.000 1.146 432 A CA -2.327 49.776 52.037 0.110 0.000 0.800 432 A CB 3.095 22.186 19.000 0.151 0.000 1.220 432 A HN 0.545 8.725 8.150 0.049 0.000 0.472 433 T N 4.176 118.796 114.554 0.110 0.000 2.797 433 T HA 0.745 5.314 4.350 0.085 -0.168 0.279 433 T C -1.192 173.613 174.700 0.174 0.000 0.991 433 T CA -0.805 61.360 62.100 0.108 0.000 0.979 433 T CB 1.805 70.716 68.868 0.072 0.000 0.943 433 T HN 0.240 8.553 8.240 0.122 0.000 0.444 434 I N 6.947 127.652 120.570 0.225 0.000 2.411 434 I HA 0.447 4.930 4.170 0.242 -0.168 0.284 434 I C -0.357 175.882 176.117 0.203 0.000 1.012 434 I CA -1.213 60.234 61.300 0.246 0.000 1.119 434 I CB 0.792 38.960 38.000 0.281 0.000 1.261 434 I HN 0.489 8.851 8.210 0.253 0.000 0.448 435 N N 9.487 128.273 118.700 0.144 0.000 1.347 435 N HA -0.381 4.400 4.740 0.067 0.000 0.141 435 N C -0.207 175.363 175.510 0.100 0.000 0.677 435 N CA 2.601 55.708 53.050 0.095 0.000 1.016 435 N CB -1.153 37.378 38.487 0.074 0.000 1.268 435 N HN 0.717 9.181 8.380 0.140 0.000 0.487 436 S N 2.717 118.481 115.700 0.107 0.000 2.561 436 S HA -0.014 4.500 4.470 0.073 0.000 0.245 436 S C -1.470 173.212 174.600 0.137 0.000 1.001 436 S CA 0.010 58.267 58.200 0.094 0.000 1.002 436 S CB -0.193 63.047 63.200 0.066 0.000 0.805 436 S HN 0.085 8.460 8.310 0.109 0.000 0.458 437 Y N 3.171 123.494 120.300 0.038 0.000 2.335 437 Y HA 0.154 4.722 4.550 0.030 0.000 0.338 437 Y C -2.642 173.284 175.900 0.042 0.000 0.977 437 Y CA 0.151 58.273 58.100 0.037 0.000 1.114 437 Y CB 2.528 41.011 38.460 0.039 0.000 1.182 437 Y HN -0.091 8.167 8.280 0.255 0.175 0.463 438 T N 10.144 124.348 114.554 -0.584 0.000 2.770 438 T HA 0.328 4.672 4.350 -0.214 -0.123 0.283 438 T C -0.306 174.038 174.700 -0.595 0.000 0.988 438 T CA -0.818 61.041 62.100 -0.402 0.000 0.957 438 T CB 1.541 70.282 68.868 -0.211 0.000 0.930 438 T HN 0.188 8.021 8.240 -0.678 0.000 0.443 439 G N 6.040 114.666 108.800 -0.291 0.000 2.636 439 G HA2 -0.005 3.956 3.960 0.002 0.000 0.246 439 G HA3 -0.005 3.863 3.960 -0.153 0.000 0.246 439 G C -0.713 174.128 174.900 -0.098 0.000 1.216 439 G CA -0.653 44.369 45.100 -0.129 0.000 0.854 439 G HN 0.136 8.342 8.290 -0.140 0.000 0.572 440 S N 0.336 116.012 115.700 -0.040 0.000 2.584 440 S HA -0.197 4.246 4.470 -0.046 0.000 0.270 440 S C -0.606 173.984 174.600 -0.016 0.000 1.346 440 S CA 0.303 58.487 58.200 -0.026 0.000 1.018 440 S CB 0.973 64.175 63.200 0.003 0.000 0.899 440 S HN 0.077 8.384 8.310 -0.005 0.000 0.542 441 A N 2.012 124.820 122.820 -0.020 0.000 2.343 441 A HA 0.261 4.561 4.320 -0.033 0.000 0.305 441 A C -1.885 175.693 177.584 -0.009 0.000 1.308 441 A CA -2.248 49.775 52.037 -0.024 0.000 0.949 441 A CB -0.645 18.339 19.000 -0.026 0.000 1.148 441 A HN 0.126 8.262 8.150 -0.022 0.000 0.545 442 P HA -0.007 4.451 4.420 0.062 0.000 0.269 442 P C -0.984 176.331 177.300 0.024 0.000 1.215 442 P CA -0.666 62.460 63.100 0.043 0.000 0.780 442 P CB 0.569 32.333 31.700 0.107 0.000 0.898 443 A N 1.222 124.068 122.820 0.043 0.000 2.386 443 A HA -0.112 4.213 4.320 0.009 0.000 0.246 443 A C -0.238 177.366 177.584 0.033 0.000 1.089 443 A CA -0.038 52.014 52.037 0.025 0.000 0.790 443 A CB 0.497 19.509 19.000 0.020 0.000 1.042 443 A HN -0.053 8.129 8.150 0.054 0.000 0.497 444 A N 1.334 124.159 122.820 0.009 0.000 2.498 444 A HA -0.018 4.303 4.320 0.001 0.000 0.239 444 A C -1.092 176.505 177.584 0.021 0.000 1.068 444 A CA -0.963 51.076 52.037 0.004 0.000 0.766 444 A CB -0.405 18.585 19.000 -0.018 0.000 1.003 444 A HN 0.099 8.249 8.150 -0.000 0.000 0.497 445 P HA 0.046 4.487 4.420 0.035 0.000 0.275 445 P C -0.743 176.555 177.300 -0.003 0.000 1.266 445 P CA -0.868 62.251 63.100 0.032 0.000 0.793 445 P CB 0.805 32.540 31.700 0.058 0.000 1.074 446 T N 1.259 115.806 114.554 -0.011 0.000 2.902 446 T HA -0.127 4.207 4.350 -0.026 0.000 0.301 446 T C -0.274 174.409 174.700 -0.028 0.000 1.012 446 T CA 1.562 63.649 62.100 -0.023 0.000 1.151 446 T CB 0.177 69.030 68.868 -0.025 0.000 0.946 446 T HN 0.166 8.400 8.240 -0.011 0.000 0.542 447 N N 4.676 123.351 118.700 -0.041 0.000 2.408 447 N HA -0.068 4.634 4.740 -0.064 0.000 0.257 447 N C 0.172 175.656 175.510 -0.045 0.000 1.064 447 N CA -0.431 52.584 53.050 -0.058 0.000 0.952 447 N CB 0.093 38.532 38.487 -0.081 0.000 1.093 447 N HN 0.132 8.487 8.380 -0.042 0.000 0.490 448 L N 4.405 125.610 121.223 -0.030 0.000 2.552 448 L HA -0.053 4.277 4.340 -0.018 0.000 0.227 448 L C -0.328 176.541 176.870 -0.002 0.000 1.146 448 L CA 0.122 54.956 54.840 -0.010 0.000 0.858 448 L CB -0.154 41.913 42.059 0.014 0.000 0.969 448 L HN 0.469 8.684 8.230 -0.026 0.000 0.451 449 D N -3.446 116.939 120.400 -0.025 0.000 2.699 449 D HA -0.300 4.309 4.640 -0.053 0.000 0.239 449 D C -1.351 174.979 176.300 0.049 0.000 1.136 449 D CA 1.472 55.463 54.000 -0.016 0.000 0.668 449 D CB -1.489 39.303 40.800 -0.014 0.000 1.060 449 D HN -0.277 8.336 8.370 -0.056 -0.277 0.429 450 S N -2.431 113.333 115.700 0.107 0.000 2.543 450 S HA 0.074 4.630 4.470 0.143 0.000 0.273 450 S C -1.180 173.577 174.600 0.261 0.000 1.152 450 S CA -0.804 57.489 58.200 0.154 0.000 0.910 450 S CB 2.102 65.369 63.200 0.112 0.000 1.105 450 S HN -0.237 8.139 8.310 0.109 0.000 0.465 451 R N 3.872 124.470 120.500 0.163 0.000 2.784 451 R HA -0.026 4.244 4.340 -0.118 0.000 0.266 451 R C -0.357 175.851 176.300 -0.153 0.000 1.044 451 R CA 0.742 56.801 56.100 -0.069 0.000 1.151 451 R CB 0.587 30.755 30.300 -0.221 0.000 1.037 451 R HN 0.277 8.617 8.270 0.117 0.000 0.478 452 G N -0.039 108.621 108.800 -0.233 0.000 3.824 452 G HA2 -0.025 3.866 3.960 -0.115 0.000 0.198 452 G HA3 -0.025 3.809 3.960 -0.211 0.000 0.198 452 G C 0.471 175.267 174.900 -0.174 0.000 1.400 452 G CA 0.855 45.845 45.100 -0.183 0.000 0.912 452 G HN 0.313 8.410 8.290 -0.322 0.000 0.638 453 V N 2.240 122.055 119.914 -0.164 0.000 2.594 453 V HA -0.240 3.994 4.120 -0.058 -0.148 0.253 453 V C 0.988 176.991 176.094 -0.152 0.000 1.069 453 V CA 2.135 64.367 62.300 -0.113 0.000 1.082 453 V CB 0.417 32.179 31.823 -0.102 0.000 0.680 453 V HN 0.285 8.365 8.190 -0.183 0.000 0.469 454 T N -7.396 107.018 114.554 -0.233 0.000 3.129 454 T HA -0.136 3.977 4.350 -0.395 0.000 0.251 454 T C -0.234 174.437 174.700 -0.049 0.000 1.117 454 T CA 1.080 63.028 62.100 -0.254 0.000 1.034 454 T CB -0.628 68.103 68.868 -0.229 0.000 0.968 454 T HN -0.068 7.981 8.240 -0.278 0.024 0.526 455 R N -0.054 120.381 120.500 -0.108 0.000 2.668 455 R HA 0.248 4.585 4.340 -0.006 0.000 0.435 455 R C -0.586 175.760 176.300 0.077 0.000 1.059 455 R CA -1.084 54.926 56.100 -0.149 0.000 1.073 455 R CB -0.020 29.787 30.300 -0.822 0.000 1.401 455 R HN -0.310 7.683 8.270 -0.155 0.184 0.590 456 G N -2.321 106.594 108.800 0.191 0.000 2.153 456 G HA2 -0.384 3.734 3.960 0.264 0.000 0.252 456 G HA3 -0.384 3.871 3.960 0.083 -0.246 0.252 456 G C -1.061 173.877 174.900 0.063 0.000 0.994 456 G CA 0.317 45.510 45.100 0.154 0.000 0.698 456 G HN -0.076 8.301 8.290 0.144 0.000 0.521 457 A N -1.477 121.340 122.820 -0.004 0.000 2.384 457 A HA 0.440 4.677 4.320 -0.139 0.000 0.312 457 A C -2.904 174.656 177.584 -0.040 0.000 1.113 457 A CA -1.360 50.615 52.037 -0.104 0.000 0.779 457 A CB 2.577 21.460 19.000 -0.196 0.000 1.307 457 A HN -0.719 7.388 8.150 -0.026 0.027 0.436 458 Y N -4.144 116.107 120.300 -0.082 0.000 2.772 458 Y HA 0.176 4.688 4.550 -0.064 0.000 0.287 458 Y C -1.343 174.521 175.900 -0.060 0.000 0.985 458 Y CA -0.793 57.266 58.100 -0.069 0.000 1.207 458 Y CB 1.072 39.490 38.460 -0.071 0.000 1.425 458 Y HN 0.284 8.080 8.280 -0.807 0.000 0.587 459 R N 4.623 124.704 120.500 -0.699 0.000 2.429 459 R HA 0.050 4.265 4.340 -0.207 0.000 0.302 459 R C -1.149 175.060 176.300 -0.151 0.000 1.268 459 R CA -0.518 55.355 56.100 -0.378 0.000 1.090 459 R CB -1.544 28.485 30.300 -0.453 0.000 1.102 459 R HN -0.282 7.449 8.270 -0.898 0.000 0.522 460 G N 1.967 110.740 108.800 -0.046 0.000 3.039 460 G HA2 0.350 4.356 3.960 0.003 0.000 0.159 460 G HA3 0.350 4.296 3.960 -0.023 0.000 0.159 460 G C -0.709 174.193 174.900 0.004 0.000 1.284 460 G CA -1.253 43.840 45.100 -0.013 0.000 0.996 460 G HN -0.574 7.711 8.290 -0.008 0.000 0.592 461 L N -0.810 120.416 121.223 0.005 0.000 2.599 461 L HA -0.092 4.247 4.340 -0.001 0.000 0.230 461 L C 0.768 177.634 176.870 -0.006 0.000 1.141 461 L CA -0.165 54.672 54.840 -0.004 0.000 0.877 461 L CB 0.048 42.097 42.059 -0.017 0.000 1.009 461 L HN 0.149 8.383 8.230 0.007 0.000 0.447 462 G N -1.061 107.748 108.800 0.015 0.000 2.246 462 G HA2 -0.410 3.569 3.960 0.031 0.000 0.273 462 G HA3 -0.410 3.778 3.960 0.066 -0.189 0.273 462 G C -0.027 174.863 174.900 -0.016 0.000 1.055 462 G CA 0.368 45.487 45.100 0.031 0.000 0.851 462 G HN -0.510 7.754 8.290 0.026 0.042 0.500 463 E N -1.339 118.825 120.200 -0.059 0.000 2.452 463 E HA -0.137 4.067 4.350 -0.244 0.000 0.261 463 E C -0.649 175.789 176.600 -0.270 0.000 0.987 463 E CA 0.578 56.845 56.400 -0.222 0.000 0.926 463 E CB 0.717 30.255 29.700 -0.269 0.000 0.934 463 E HN -0.195 8.146 8.360 -0.031 0.000 0.452 464 V N 2.528 122.201 119.914 -0.402 0.000 2.540 464 V HA 0.226 4.459 4.120 -0.045 -0.140 0.302 464 V C -0.665 175.154 176.094 -0.457 0.000 1.035 464 V CA -0.813 61.352 62.300 -0.224 0.000 0.873 464 V CB 1.573 33.375 31.823 -0.035 0.000 0.992 464 V HN 0.122 8.052 8.190 -0.434 0.000 0.428 465 Y N 5.723 126.034 120.300 0.019 0.000 2.326 465 Y HA 0.121 4.666 4.550 -0.008 0.000 0.331 465 Y C -1.484 174.444 175.900 0.046 0.000 0.962 465 Y CA -1.334 56.766 58.100 0.001 0.000 1.167 465 Y CB 2.194 40.621 38.460 -0.056 0.000 1.148 465 Y HN 0.543 8.938 8.280 0.192 0.000 0.463 466 D N 3.542 124.028 120.400 0.142 0.000 2.163 466 D HA 0.580 5.469 4.640 0.117 -0.178 0.248 466 D C -0.458 175.900 176.300 0.096 0.000 1.035 466 D CA -0.980 53.084 54.000 0.106 0.000 0.872 466 D CB 2.580 43.418 40.800 0.065 0.000 1.183 466 D HN 0.217 8.647 8.370 0.101 0.000 0.445 467 V N 4.174 124.131 119.914 0.072 0.000 2.444 467 V HA 0.180 4.362 4.120 0.103 0.000 0.294 467 V C -1.103 175.012 176.094 0.035 0.000 1.022 467 V CA -0.960 61.393 62.300 0.089 0.000 0.850 467 V CB 2.775 34.677 31.823 0.132 0.000 0.992 467 V HN 0.695 8.915 8.190 0.050 0.000 0.426 468 S N 6.896 122.623 115.700 0.046 0.000 2.474 468 S HA 0.144 4.568 4.470 -0.078 0.000 0.276 468 S C -0.401 174.156 174.600 -0.072 0.000 1.227 468 S CA 0.399 58.585 58.200 -0.024 0.000 1.050 468 S CB 0.092 63.288 63.200 -0.006 0.000 0.939 468 S HN 0.393 8.750 8.310 0.080 0.000 0.490 469 I N 7.729 128.202 120.570 -0.162 0.000 2.330 469 I HA 0.330 4.196 4.170 -0.507 0.000 0.289 469 I C -2.175 173.774 176.117 -0.280 0.000 1.001 469 I CA -3.015 58.108 61.300 -0.294 0.000 1.193 469 I CB 1.490 39.388 38.000 -0.171 0.000 1.345 469 I HN 0.537 8.654 8.210 -0.156 0.000 0.461 470 P HA 0.141 4.461 4.420 -0.166 0.000 0.272 470 P C -0.667 176.541 177.300 -0.153 0.000 1.223 470 P CA -0.539 62.425 63.100 -0.228 0.000 0.784 470 P CB 0.849 32.406 31.700 -0.239 0.000 0.923 471 S N 1.057 116.702 115.700 -0.092 0.000 2.558 471 S HA -0.594 3.891 4.470 -0.052 -0.046 0.293 471 S C 1.511 176.081 174.600 -0.049 0.000 1.292 471 S CA 1.943 60.108 58.200 -0.057 0.000 1.063 471 S CB 0.143 63.321 63.200 -0.036 0.000 0.831 471 S HN -0.087 8.174 8.310 -0.082 0.000 0.499 472 G N 7.977 116.758 108.800 -0.031 0.000 2.176 472 G HA2 -0.345 3.605 3.960 -0.018 0.000 0.253 472 G HA3 -0.345 3.610 3.960 -0.009 0.000 0.253 472 G C 0.129 175.018 174.900 -0.019 0.000 0.979 472 G CA 0.594 45.683 45.100 -0.018 0.000 0.641 472 G HN 0.731 9.007 8.290 -0.023 0.000 0.530 473 T N 1.432 115.963 114.554 -0.039 0.000 2.939 473 T HA -0.122 4.224 4.350 -0.006 0.000 0.254 473 T C 0.497 175.207 174.700 0.016 0.000 1.041 473 T CA 2.717 64.801 62.100 -0.027 0.000 1.142 473 T CB 0.792 69.594 68.868 -0.110 0.000 0.874 473 T HN -0.613 7.536 8.240 -0.059 0.056 0.452 474 I N 1.874 122.463 120.570 0.032 0.000 2.648 474 I HA -0.280 4.087 4.170 0.085 -0.145 0.284 474 I C -1.222 174.913 176.117 0.030 0.000 1.153 474 I CA 1.078 62.422 61.300 0.074 0.000 1.426 474 I CB 0.443 38.529 38.000 0.143 0.000 1.381 474 I HN -0.157 8.062 8.210 0.016 0.000 0.571 475 V N 1.399 121.312 119.914 -0.002 0.000 2.815 475 V HA 0.341 4.461 4.120 -0.001 0.000 0.314 475 V C -1.494 174.587 176.094 -0.021 0.000 1.064 475 V CA -3.327 58.965 62.300 -0.014 0.000 0.952 475 V CB 2.673 34.480 31.823 -0.026 0.000 1.020 475 V HN -0.064 8.426 8.190 -0.028 -0.316 0.439 476 A N 2.857 125.672 122.820 -0.009 0.000 2.488 476 A HA -0.198 4.283 4.320 0.005 -0.158 0.249 476 A C 0.099 177.666 177.584 -0.028 0.000 1.083 476 A CA 0.754 52.787 52.037 -0.006 0.000 0.768 476 A CB 0.101 19.102 19.000 0.002 0.000 1.017 476 A HN -0.030 8.117 8.150 -0.004 0.000 0.496 477 G N 5.542 114.321 108.800 -0.035 0.000 2.445 477 G HA2 -0.207 3.721 3.960 -0.052 0.000 0.212 477 G HA3 -0.207 3.728 3.960 -0.041 0.000 0.212 477 G C -1.369 173.463 174.900 -0.112 0.000 1.217 477 G CA -0.586 44.480 45.100 -0.055 0.000 1.002 477 G HN 0.293 8.570 8.290 -0.021 0.000 0.574 478 T N 5.655 120.136 114.554 -0.122 0.000 2.869 478 T HA 0.091 4.453 4.350 -0.215 -0.141 0.295 478 T C -0.702 173.841 174.700 -0.263 0.000 0.987 478 T CA 0.763 62.754 62.100 -0.183 0.000 1.109 478 T CB 0.357 69.154 68.868 -0.117 0.000 0.932 478 T HN 0.125 8.309 8.240 -0.093 0.000 0.518 479 N N 6.346 124.765 118.700 -0.468 0.000 2.262 479 N HA 0.365 5.042 4.740 -0.297 -0.115 0.295 479 N C -1.837 173.478 175.510 -0.325 0.000 1.161 479 N CA -0.753 51.987 53.050 -0.516 0.000 0.767 479 N CB 4.951 42.790 38.487 -1.080 0.000 1.499 479 N HN 0.438 8.481 8.380 -0.562 0.000 0.476 480 T N 2.901 117.404 114.554 -0.084 0.000 2.841 480 T HA 0.613 5.180 4.350 0.076 -0.172 0.285 480 T C -1.724 173.086 174.700 0.183 0.000 0.991 480 T CA -0.374 61.763 62.100 0.061 0.000 0.966 480 T CB 1.778 70.669 68.868 0.038 0.000 0.962 480 T HN 0.384 8.886 8.240 -0.054 -0.295 0.438 481 I N 8.066 128.795 120.570 0.265 0.000 2.404 481 I HA 0.666 5.208 4.170 0.260 -0.216 0.293 481 I C -1.250 174.992 176.117 0.208 0.000 0.992 481 I CA -1.409 60.059 61.300 0.279 0.000 1.149 481 I CB 3.115 41.341 38.000 0.377 0.000 1.315 481 I HN 0.945 9.321 8.210 0.276 0.000 0.446 482 T N 9.190 123.849 114.554 0.175 0.000 2.792 482 T HA 0.583 5.181 4.350 0.141 -0.163 0.280 482 T C -1.062 173.736 174.700 0.162 0.000 0.990 482 T CA -0.632 61.554 62.100 0.144 0.000 0.960 482 T CB 1.184 70.113 68.868 0.102 0.000 0.939 482 T HN 0.603 8.946 8.240 0.172 0.000 0.439 483 I N 7.925 128.606 120.570 0.186 0.000 2.330 483 I HA 0.137 4.557 4.170 0.206 -0.127 0.286 483 I C -2.119 174.106 176.117 0.180 0.000 1.025 483 I CA -0.824 60.613 61.300 0.228 0.000 1.197 483 I CB 0.589 38.815 38.000 0.378 0.000 1.358 483 I HN 0.862 9.180 8.210 0.179 0.000 0.467 484 N N 7.848 126.627 118.700 0.132 0.000 2.430 484 N HA 0.502 5.464 4.740 0.078 -0.176 0.292 484 N C -1.455 174.117 175.510 0.103 0.000 1.051 484 N CA -0.698 52.406 53.050 0.089 0.000 0.917 484 N CB 3.348 41.866 38.487 0.052 0.000 1.164 484 N HN 0.124 8.576 8.380 0.119 0.000 0.484 485 V N 4.667 124.624 119.914 0.072 0.000 2.461 485 V HA 0.342 4.747 4.120 0.177 -0.178 0.275 485 V C -0.524 175.591 176.094 0.036 0.000 1.047 485 V CA -0.942 61.410 62.300 0.088 0.000 0.955 485 V CB 1.137 32.953 31.823 -0.013 0.000 0.988 485 V HN -0.152 8.367 8.190 0.036 -0.307 0.471 486 I N 5.012 125.595 120.570 0.021 0.000 2.562 486 I HA 0.503 4.672 4.170 -0.002 0.000 0.301 486 I C -2.012 174.099 176.117 -0.011 0.000 1.003 486 I CA -1.612 59.685 61.300 -0.005 0.000 1.127 486 I CB 2.740 40.727 38.000 -0.021 0.000 1.304 486 I HN 0.514 8.735 8.210 0.018 0.000 0.446 487 S N 1.650 117.341 115.700 -0.014 0.000 2.608 487 S HA 0.082 4.537 4.470 -0.026 0.000 0.285 487 S C 0.421 175.008 174.600 -0.022 0.000 1.108 487 S CA -0.891 57.296 58.200 -0.021 0.000 0.858 487 S CB 2.138 65.326 63.200 -0.020 0.000 1.077 487 S HN 0.165 8.468 8.310 -0.013 0.000 0.450 488 G N 3.599 112.382 108.800 -0.027 0.000 2.744 488 G HA2 0.084 4.028 3.960 -0.027 0.000 0.211 488 G HA3 0.084 4.031 3.960 -0.022 0.000 0.211 488 G C -0.210 174.672 174.900 -0.030 0.000 1.143 488 G CA 0.260 45.344 45.100 -0.026 0.000 0.788 488 G HN 0.516 8.788 8.290 -0.030 0.000 0.534 489 S N 1.545 117.223 115.700 -0.037 0.000 2.669 489 S HA 0.315 4.761 4.470 -0.040 0.000 0.270 489 S C -1.243 173.342 174.600 -0.024 0.000 1.225 489 S CA -0.297 57.878 58.200 -0.042 0.000 0.991 489 S CB 1.439 64.594 63.200 -0.074 0.000 0.987 489 S HN -0.430 7.803 8.310 -0.039 0.053 0.552 490 S N -1.254 114.435 115.700 -0.017 0.000 2.618 490 S HA 0.233 4.703 4.470 0.001 0.000 0.277 490 S C -0.679 173.930 174.600 0.015 0.000 1.138 490 S CA -1.136 57.062 58.200 -0.003 0.000 0.844 490 S CB 2.866 66.061 63.200 -0.009 0.000 1.127 490 S HN 0.004 8.300 8.310 -0.023 0.000 0.474 491 G N 0.607 109.420 108.800 0.022 0.000 2.601 491 G HA2 -0.005 4.201 3.960 0.080 0.000 0.291 491 G HA3 -0.005 3.974 3.960 0.032 0.000 0.291 491 G C -2.955 171.942 174.900 -0.005 0.000 1.456 491 G CA 0.222 45.344 45.100 0.037 0.000 0.804 491 G HN -0.066 8.230 8.290 0.010 0.000 0.499 492 D N 0.610 120.999 120.400 -0.018 0.000 2.304 492 D HA 0.224 4.817 4.640 -0.078 0.000 0.250 492 D C 0.802 177.025 176.300 -0.130 0.000 1.107 492 D CA 0.223 54.183 54.000 -0.067 0.000 0.885 492 D CB 0.926 41.695 40.800 -0.052 0.000 1.192 492 D HN 0.054 8.424 8.370 0.000 0.000 0.436 493 T N 0.215 114.625 114.554 -0.240 0.000 8.188 493 T HA -0.501 3.519 4.350 -0.550 0.000 0.253 493 T C 0.457 174.791 174.700 -0.610 0.000 1.618 493 T CA 2.259 64.044 62.100 -0.525 0.000 1.500 493 T CB -0.978 67.505 68.868 -0.642 0.000 1.763 493 T HN 0.454 8.566 8.240 -0.212 0.000 0.450 494 Y N -0.716 119.345 120.300 -0.398 0.000 2.578 494 Y HA -0.047 3.932 4.550 -0.952 0.000 0.297 494 Y C 0.520 176.288 175.900 -0.220 0.000 1.176 494 Y CA 1.043 58.790 58.100 -0.587 0.000 1.315 494 Y CB -0.662 37.353 38.460 -0.742 0.000 1.031 494 Y HN 0.167 8.138 8.280 -0.515 0.000 0.524 495 L N -4.239 116.966 121.223 -0.030 0.000 2.628 495 L HA 0.174 4.470 4.340 -0.074 0.000 0.229 495 L C 0.014 177.032 176.870 0.246 0.000 1.137 495 L CA -0.666 54.215 54.840 0.069 0.000 0.909 495 L CB -0.082 42.029 42.059 0.087 0.000 1.137 495 L HN -0.377 7.770 8.230 -0.058 0.048 0.470 496 S N 2.422 118.203 115.700 0.135 0.000 2.585 496 S HA 0.042 4.587 4.470 0.125 0.000 0.273 496 S C -1.431 173.316 174.600 0.245 0.000 1.339 496 S CA -2.196 56.090 58.200 0.142 0.000 1.028 496 S CB -0.887 62.338 63.200 0.042 0.000 0.906 496 S HN -0.466 7.714 8.310 0.041 0.154 0.528 497 P HA -0.009 4.696 4.420 0.171 -0.182 0.263 497 P C -1.475 175.870 177.300 0.075 0.000 1.175 497 P CA 0.890 64.066 63.100 0.127 0.000 0.761 497 P CB 0.247 31.968 31.700 0.035 0.000 0.794 498 N N -0.398 118.331 118.700 0.048 0.000 2.927 498 N HA 0.725 5.383 4.740 -0.317 -0.108 0.248 498 N C -2.248 173.174 175.510 -0.147 0.000 1.443 498 N CA -0.629 52.282 53.050 -0.231 0.000 0.870 498 N CB 4.117 42.266 38.487 -0.562 0.000 1.444 498 N HN -0.045 8.411 8.380 0.126 0.000 0.519 499 F N -6.485 113.242 119.950 -0.370 0.000 2.645 499 F HA 0.886 5.440 4.527 -0.234 -0.167 0.310 499 F C -2.489 173.053 175.800 -0.430 0.000 1.102 499 F CA -2.074 55.729 58.000 -0.327 0.000 0.952 499 F CB 3.286 42.117 39.000 -0.282 0.000 1.326 499 F HN -0.148 7.560 8.300 -0.987 0.000 0.456 500 I N -0.640 119.888 120.570 -0.070 0.000 2.353 500 I HA 0.307 4.505 4.170 -0.178 -0.135 0.293 500 I C -0.591 175.516 176.117 -0.017 0.000 0.992 500 I CA -1.084 60.158 61.300 -0.097 0.000 1.268 500 I CB 1.856 39.845 38.000 -0.018 0.000 1.387 500 I HN -0.047 8.193 8.210 0.049 0.000 0.478 501 F N 6.400 126.328 119.950 -0.037 0.000 2.418 501 F HA -0.013 4.583 4.527 0.114 0.000 0.341 501 F C -0.299 175.269 175.800 -0.386 0.000 1.120 501 F CA 1.653 59.581 58.000 -0.120 0.000 1.232 501 F CB 0.947 39.812 39.000 -0.225 0.000 1.175 501 F HN 0.254 8.633 8.300 0.131 0.000 0.569 502 D N 0.412 120.792 120.400 -0.033 0.000 2.652 502 D HA 0.179 4.904 4.640 -0.187 -0.197 0.261 502 D C -0.559 175.598 176.300 -0.237 0.000 1.024 502 D CA -0.434 53.489 54.000 -0.129 0.000 0.958 502 D CB 3.228 44.070 40.800 0.070 0.000 1.113 502 D HN 0.317 8.641 8.370 0.102 0.107 0.471 503 C N -3.150 115.974 119.300 -0.292 0.000 3.181 503 C HA 0.445 4.910 4.460 -0.274 -0.169 0.362 503 C C -2.558 172.229 174.990 -0.337 0.000 1.125 503 C CA -1.435 57.242 59.018 -0.568 0.000 1.265 503 C CB 2.459 29.191 27.740 -1.681 0.000 1.632 503 C HN -0.593 7.549 8.230 -0.147 0.000 0.525 504 V N 7.051 126.828 119.914 -0.229 0.000 2.444 504 V HA 0.821 5.212 4.120 0.104 -0.209 0.294 504 V C -2.271 173.798 176.094 -0.041 0.000 1.022 504 V CA -0.789 61.498 62.300 -0.023 0.000 0.850 504 V CB 2.447 34.269 31.823 -0.002 0.000 0.992 504 V HN 0.227 8.237 8.190 -0.299 0.000 0.426 505 E N 7.666 127.894 120.200 0.048 0.000 2.275 505 E HA 0.654 5.041 4.350 -0.198 -0.156 0.270 505 E C -2.689 173.817 176.600 -0.156 0.000 0.882 505 E CA -1.949 54.436 56.400 -0.026 0.000 0.758 505 E CB 4.653 34.522 29.700 0.282 0.000 1.195 505 E HN 0.464 8.918 8.360 0.156 0.000 0.419 506 L N 7.004 127.852 121.223 -0.625 0.000 2.305 506 L HA 0.881 5.121 4.340 -0.474 -0.185 0.284 506 L C -2.258 174.430 176.870 -0.303 0.000 1.013 506 L CA -1.122 53.340 54.840 -0.630 0.000 0.819 506 L CB 2.522 43.881 42.059 -1.166 0.000 1.227 506 L HN 0.127 7.792 8.230 -0.941 0.000 0.417 507 F N 3.871 123.688 119.950 -0.222 0.000 2.643 507 F HA 0.855 5.417 4.527 -0.144 -0.121 0.314 507 F C -2.636 173.111 175.800 -0.089 0.000 1.096 507 F CA -2.539 55.379 58.000 -0.136 0.000 0.953 507 F CB 2.889 41.833 39.000 -0.093 0.000 1.345 507 F HN 0.577 8.462 8.300 -0.692 0.000 0.468 508 Q N 0.000 119.887 119.800 0.146 0.000 2.315 508 Q HA 0.000 4.319 4.340 -0.036 0.000 0.214 508 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 508 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 508 Q HN 0.000 8.402 8.270 0.221 0.000 0.481