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 2eh6_1_B DATA FIRST_RESID 1 DATA SEQUENCE TYLMNNYARL PVKFVRGKGV YLYDEEGKEY LDFVSGIGVN SLGHAYPKLT DATA SEQUENCE EALKEQVEKL LHVSNLYENP WQEELAHKLV KHFWTEGKVF FANSGTESVE DATA SEQUENCE AAIKLARKYW RDKGKNKWKF ISFENSFHGR TYGSLSATGQ PKFHKGFEPL DATA SEQUENCE VPGFSYAKLN DIDSVYKLLD EETAGIIIEV IQGEGGVNEA SEDFLSKLQE DATA SEQUENCE ICKEKDVLLI IDEVQTGIGR TGEFYAYQHF NLKPDVIALA KGLGGGVPIG DATA SEQUENCE AILAREEVAQ SFTPGSHGST FGGNPLACRA GTVVVDEVEK LLPHVREVGN DATA SEQUENCE YFKEKLKELG KGKVKGRGLM LGLELEREcK DYVLKALEKG LLINcTAGKV DATA SEQUENCE LRFLPPLIIQ KEHIDRAISV LREIL 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 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1 T C 0.000 174.559 174.700 -0.235 0.000 1.109 1 T CA 0.000 61.997 62.100 -0.172 0.000 1.349 1 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 2 Y N 3.138 123.450 120.300 0.021 0.000 2.524 2 Y HA 0.520 5.069 4.550 -0.001 0.000 0.266 2 Y C 0.642 176.559 175.900 0.028 0.000 1.180 2 Y CA -0.233 57.880 58.100 0.022 0.000 1.244 2 Y CB 0.440 38.912 38.460 0.020 0.000 1.125 2 Y HN 0.361 8.641 8.280 -0.000 0.000 0.524 3 L N 0.270 121.576 121.223 0.138 0.000 2.331 3 L HA 0.425 4.763 4.340 -0.002 0.000 0.275 3 L C 0.056 176.972 176.870 0.076 0.000 1.022 3 L CA -0.843 54.065 54.840 0.112 0.000 0.812 3 L CB 1.436 43.564 42.059 0.116 0.000 1.257 3 L HN -0.008 8.222 8.230 -0.000 0.000 0.435 4 M N 1.594 121.232 119.600 0.063 0.000 2.250 4 M HA -0.014 4.465 4.480 -0.002 0.000 0.325 4 M C 0.565 176.876 176.300 0.018 0.000 1.084 4 M CA 0.211 55.529 55.300 0.030 0.000 1.161 4 M CB 0.140 32.746 32.600 0.010 0.000 1.481 4 M HN 0.461 8.751 8.290 -0.000 0.000 0.449 5 N N 1.465 120.169 118.700 0.006 0.000 2.484 5 N HA 0.007 4.745 4.740 -0.002 0.000 0.245 5 N C 0.540 176.034 175.510 -0.026 0.000 1.184 5 N CA -0.111 52.944 53.050 0.007 0.000 0.884 5 N CB -0.113 38.381 38.487 0.012 0.000 1.182 5 N HN 0.524 8.904 8.380 -0.000 0.000 0.493 6 N N -0.963 117.665 118.700 -0.120 0.000 2.467 6 N HA -0.098 4.641 4.740 -0.002 0.000 0.184 6 N C -0.538 174.802 175.510 -0.284 0.000 1.106 6 N CA 0.398 53.310 53.050 -0.229 0.000 0.892 6 N CB 0.042 38.307 38.487 -0.370 0.000 0.969 6 N HN 0.148 8.528 8.380 -0.000 0.000 0.454 7 Y N 0.375 120.692 120.300 0.028 0.000 2.567 7 Y HA 0.629 5.178 4.550 -0.002 0.000 0.333 7 Y C 0.136 176.043 175.900 0.012 0.000 1.106 7 Y CA -1.652 56.458 58.100 0.017 0.000 1.157 7 Y CB 1.594 40.060 38.460 0.009 0.000 1.277 7 Y HN 0.041 8.321 8.280 -0.000 0.000 0.490 8 A N 2.347 125.288 122.820 0.202 0.000 3.064 8 A HA 0.473 4.792 4.320 -0.002 0.000 0.339 8 A C -0.376 177.247 177.584 0.065 0.000 1.078 8 A CA -0.805 51.291 52.037 0.099 0.000 0.869 8 A CB -0.368 18.675 19.000 0.071 0.000 1.067 8 A HN 0.770 8.920 8.150 -0.000 0.000 0.480 9 R N 0.794 121.327 120.500 0.055 0.000 2.537 9 R HA 0.326 4.665 4.340 -0.002 0.000 0.280 9 R C -0.448 175.838 176.300 -0.023 0.000 1.058 9 R CA -0.141 55.957 56.100 -0.003 0.000 1.057 9 R CB 0.679 30.969 30.300 -0.015 0.000 0.973 9 R HN 0.578 8.848 8.270 -0.000 0.000 0.438 10 L N 4.805 126.002 121.223 -0.044 0.000 2.426 10 L HA 0.141 4.480 4.340 -0.002 0.000 0.271 10 L C -1.233 175.584 176.870 -0.089 0.000 1.169 10 L CA -1.629 53.179 54.840 -0.053 0.000 0.836 10 L CB 0.574 42.602 42.059 -0.052 0.000 1.112 10 L HN 0.435 8.665 8.230 -0.000 0.000 0.465 11 P HA 0.056 4.476 4.420 -0.000 0.000 0.232 11 P C -0.681 176.536 177.300 -0.139 0.000 1.738 11 P CA 0.382 63.431 63.100 -0.086 0.000 0.948 11 P CB 0.198 31.869 31.700 -0.049 0.000 1.943 12 V N 1.538 121.308 119.914 -0.238 0.000 2.969 12 V HA 0.502 4.621 4.120 -0.002 0.000 0.304 12 V C -1.450 174.298 176.094 -0.577 0.000 1.192 12 V CA -0.884 61.168 62.300 -0.413 0.000 0.962 12 V CB 3.003 34.480 31.823 -0.577 0.000 1.045 12 V HN 0.342 8.532 8.190 -0.000 0.000 0.428 13 K N 4.875 124.928 120.400 -0.577 0.000 2.507 13 K HA 0.633 4.951 4.320 -0.002 0.000 0.252 13 K C -1.783 174.527 176.600 -0.484 0.000 0.943 13 K CA -0.537 55.454 56.287 -0.493 0.000 0.808 13 K CB 1.746 34.119 32.500 -0.212 0.000 1.142 13 K HN 0.344 8.594 8.250 -0.000 0.000 0.426 14 F N 1.486 121.397 119.950 -0.065 0.000 2.377 14 F HA 0.242 4.768 4.527 -0.003 0.000 0.328 14 F C 1.372 177.169 175.800 -0.006 0.000 1.094 14 F CA -0.758 57.220 58.000 -0.036 0.000 1.093 14 F CB 1.704 40.651 39.000 -0.089 0.000 1.214 14 F HN 0.451 8.751 8.300 -0.000 0.000 0.518 15 V N -1.041 119.009 119.914 0.226 0.000 3.539 15 V HA 0.462 4.580 4.120 -0.002 0.000 0.262 15 V C 0.127 176.289 176.094 0.114 0.000 1.381 15 V CA -0.025 62.354 62.300 0.131 0.000 1.060 15 V CB 0.192 32.075 31.823 0.100 0.000 0.842 15 V HN 0.790 8.980 8.190 -0.000 0.000 0.445 16 R N -0.483 120.107 120.500 0.150 0.000 2.692 16 R HA 0.663 5.002 4.340 -0.002 0.000 0.269 16 R C -0.933 175.448 176.300 0.134 0.000 1.030 16 R CA 0.088 56.252 56.100 0.107 0.000 0.882 16 R CB 1.890 32.237 30.300 0.077 0.000 1.250 16 R HN 0.439 8.709 8.270 -0.000 0.000 0.465 17 G N 1.298 110.136 108.800 0.064 0.000 2.690 17 G HA2 0.565 4.524 3.960 -0.002 0.000 0.293 17 G HA3 0.565 4.524 3.960 -0.002 0.000 0.293 17 G C -1.920 173.106 174.900 0.210 0.000 1.399 17 G CA -0.911 44.214 45.100 0.041 0.000 0.890 17 G HN 0.652 8.942 8.290 -0.000 0.000 0.485 18 K N -0.077 120.515 120.400 0.319 0.000 2.589 18 K HA 0.701 5.020 4.320 -0.002 0.000 0.253 18 K C 0.489 177.264 176.600 0.292 0.000 0.974 18 K CA 0.159 56.614 56.287 0.281 0.000 0.835 18 K CB 1.501 34.131 32.500 0.216 0.000 1.272 18 K HN 2.194 10.444 8.250 -0.000 0.000 0.444 19 G N 1.457 110.387 108.800 0.217 0.000 2.531 19 G HA2 -0.336 3.622 3.960 -0.002 0.000 0.274 19 G HA3 -0.336 3.622 3.960 -0.002 0.000 0.274 19 G C 0.517 175.431 174.900 0.023 0.000 1.159 19 G CA 0.474 45.656 45.100 0.137 0.000 0.969 19 G HN 1.634 9.924 8.290 -0.000 0.000 0.554 20 V N -2.161 117.632 119.914 -0.202 0.000 3.421 20 V HA 0.661 4.780 4.120 -0.002 0.000 0.316 20 V C 0.275 176.035 176.094 -0.557 0.000 1.347 20 V CA 0.116 62.155 62.300 -0.436 0.000 1.183 20 V CB -0.863 30.523 31.823 -0.729 0.000 1.092 20 V HN 0.697 8.887 8.190 -0.000 0.000 0.433 21 Y N -0.182 120.097 120.300 -0.035 0.000 2.509 21 Y HA 0.806 5.355 4.550 -0.002 0.000 0.341 21 Y C -0.134 175.612 175.900 -0.256 0.000 1.038 21 Y CA -1.168 56.834 58.100 -0.163 0.000 1.089 21 Y CB 2.068 40.412 38.460 -0.192 0.000 1.241 21 Y HN 0.055 8.335 8.280 -0.000 0.000 0.468 22 L N 2.159 123.192 121.223 -0.317 0.000 2.354 22 L HA 0.594 4.933 4.340 -0.002 0.000 0.264 22 L C -1.586 175.056 176.870 -0.378 0.000 1.008 22 L CA -1.000 53.577 54.840 -0.437 0.000 0.819 22 L CB 2.162 43.656 42.059 -0.942 0.000 1.339 22 L HN 0.563 8.793 8.230 -0.000 0.000 0.420 23 Y N -0.496 119.924 120.300 0.200 0.000 2.442 23 Y HA 0.348 4.897 4.550 -0.001 0.000 0.344 23 Y C -0.332 175.814 175.900 0.410 0.000 0.976 23 Y CA -1.410 56.892 58.100 0.336 0.000 1.040 23 Y CB 1.550 40.102 38.460 0.155 0.000 1.228 23 Y HN 0.582 8.862 8.280 -0.000 0.000 0.451 24 D N -0.410 120.324 120.400 0.556 0.000 2.466 24 D HA 0.117 4.756 4.640 -0.002 0.000 0.262 24 D C 0.930 177.361 176.300 0.218 0.000 1.177 24 D CA -0.571 53.619 54.000 0.317 0.000 1.035 24 D CB 0.536 41.486 40.800 0.250 0.000 1.105 24 D HN 0.738 9.108 8.370 -0.000 0.000 0.551 25 E N -0.536 119.736 120.200 0.119 0.000 2.160 25 E HA -0.255 4.094 4.350 -0.002 0.000 0.195 25 E C 1.005 177.656 176.600 0.083 0.000 0.991 25 E CA 0.943 57.394 56.400 0.084 0.000 0.810 25 E CB -0.299 29.428 29.700 0.045 0.000 0.742 25 E HN 0.385 8.745 8.360 -0.000 0.000 0.466 26 E N 0.339 120.596 120.200 0.096 0.000 2.418 26 E HA -0.041 4.308 4.350 -0.002 0.000 0.197 26 E C 1.485 178.138 176.600 0.088 0.000 1.026 26 E CA 0.934 57.381 56.400 0.078 0.000 0.862 26 E CB 0.171 29.916 29.700 0.075 0.000 0.799 26 E HN 0.592 8.952 8.360 -0.000 0.000 0.518 27 G N 1.777 110.660 108.800 0.138 0.000 2.175 27 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.244 27 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.244 27 G C 0.359 175.381 174.900 0.203 0.000 0.982 27 G CA 0.384 45.576 45.100 0.154 0.000 0.641 27 G HN 0.308 8.598 8.290 -0.000 0.000 0.527 28 K N 1.085 121.575 120.400 0.150 0.000 2.412 28 K HA 0.357 4.676 4.320 -0.002 0.000 0.281 28 K C 0.368 176.906 176.600 -0.103 0.000 1.027 28 K CA -0.177 56.099 56.287 -0.018 0.000 0.989 28 K CB 0.364 32.792 32.500 -0.120 0.000 0.935 28 K HN 0.383 8.633 8.250 -0.000 0.000 0.475 29 E N 3.314 123.365 120.200 -0.249 0.000 2.301 29 E HA 0.132 4.481 4.350 -0.002 0.000 0.275 29 E C -1.495 174.784 176.600 -0.536 0.000 1.030 29 E CA -0.550 55.588 56.400 -0.438 0.000 0.852 29 E CB 0.585 30.113 29.700 -0.287 0.000 1.060 29 E HN 0.445 8.805 8.360 -0.000 0.000 0.401 30 Y N 2.985 123.174 120.300 -0.185 0.000 2.346 30 Y HA 0.242 4.791 4.550 -0.002 0.000 0.332 30 Y C -0.545 175.379 175.900 0.040 0.000 0.985 30 Y CA -1.025 57.065 58.100 -0.017 0.000 1.112 30 Y CB 1.406 39.873 38.460 0.012 0.000 1.170 30 Y HN 0.438 8.718 8.280 -0.000 0.000 0.447 31 L N 4.452 125.817 121.223 0.236 0.000 2.369 31 L HA 0.281 4.620 4.340 -0.002 0.000 0.279 31 L C -0.248 176.689 176.870 0.112 0.000 1.108 31 L CA -0.090 54.795 54.840 0.075 0.000 0.852 31 L CB 0.088 42.217 42.059 0.116 0.000 1.169 31 L HN 0.564 8.794 8.230 -0.000 0.000 0.452 32 D N 4.352 124.741 120.400 -0.018 0.000 2.352 32 D HA 0.092 4.731 4.640 -0.002 0.000 0.245 32 D C -0.277 176.071 176.300 0.079 0.000 1.224 32 D CA 0.213 54.225 54.000 0.020 0.000 0.879 32 D CB 0.109 40.863 40.800 -0.076 0.000 1.057 32 D HN 0.418 8.788 8.370 -0.000 0.000 0.491 33 F N 3.071 123.011 119.950 -0.018 0.000 2.772 33 F HA 0.174 4.700 4.527 -0.002 0.000 0.302 33 F C 1.175 177.037 175.800 0.102 0.000 1.136 33 F CA -0.246 57.786 58.000 0.053 0.000 1.322 33 F CB 0.697 39.782 39.000 0.142 0.000 0.967 33 F HN 0.290 8.590 8.300 -0.000 0.000 0.513 34 V N -1.467 118.519 119.914 0.120 0.000 3.431 34 V HA -0.007 4.112 4.120 -0.002 0.000 0.255 34 V C 1.194 177.287 176.094 -0.002 0.000 1.403 34 V CA 0.607 62.949 62.300 0.071 0.000 1.101 34 V CB 0.164 32.028 31.823 0.067 0.000 0.891 34 V HN 0.357 8.547 8.190 -0.000 0.000 0.446 35 S N 1.207 116.882 115.700 -0.040 0.000 3.486 35 S HA -0.175 4.294 4.470 -0.002 0.000 0.371 35 S C 1.198 175.764 174.600 -0.057 0.000 1.001 35 S CA 1.154 59.301 58.200 -0.088 0.000 1.164 35 S CB -2.314 60.799 63.200 -0.145 0.000 0.911 35 S HN 2.255 10.565 8.310 -0.000 0.000 0.472 36 G N 0.799 109.588 108.800 -0.017 0.000 2.273 36 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.280 36 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.280 36 G C 0.458 175.346 174.900 -0.020 0.000 1.047 36 G CA 0.051 45.145 45.100 -0.009 0.000 0.869 36 G HN 2.029 10.319 8.290 -0.000 0.000 0.502 37 I N -2.856 117.703 120.570 -0.019 0.000 6.132 37 I HA -0.209 3.960 4.170 -0.002 0.000 0.126 37 I C 1.599 177.705 176.117 -0.018 0.000 1.821 37 I CA 0.867 62.156 61.300 -0.020 0.000 2.038 37 I CB -1.528 36.455 38.000 -0.028 0.000 3.442 37 I HN 1.943 10.153 8.210 -0.000 0.000 0.169 38 G N 0.220 109.003 108.800 -0.027 0.000 2.160 38 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.251 38 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.251 38 G C 0.493 175.365 174.900 -0.047 0.000 1.008 38 G CA 0.292 45.371 45.100 -0.036 0.000 0.724 38 G HN 0.504 8.794 8.290 -0.000 0.000 0.514 39 V N 0.004 119.886 119.914 -0.054 0.000 2.492 39 V HA 0.081 4.200 4.120 -0.002 0.000 0.241 39 V C 1.456 177.491 176.094 -0.097 0.000 1.041 39 V CA 1.306 63.574 62.300 -0.055 0.000 1.057 39 V CB -0.149 31.654 31.823 -0.033 0.000 0.711 39 V HN 0.438 8.628 8.190 -0.000 0.000 0.468 40 N N 1.706 120.320 118.700 -0.143 0.000 3.178 40 N HA 0.031 4.770 4.740 -0.002 0.000 0.300 40 N C 1.521 176.885 175.510 -0.243 0.000 1.242 40 N CA 0.598 53.509 53.050 -0.233 0.000 1.192 40 N CB 0.684 38.928 38.487 -0.405 0.000 1.463 40 N HN 0.558 8.938 8.380 -0.000 0.000 0.539 41 S N -0.069 115.515 115.700 -0.194 0.000 2.402 41 S HA -0.121 4.348 4.470 -0.002 0.000 0.233 41 S C 1.341 175.781 174.600 -0.265 0.000 1.030 41 S CA 0.796 58.877 58.200 -0.200 0.000 1.003 41 S CB -0.132 62.968 63.200 -0.166 0.000 0.813 41 S HN 0.459 8.769 8.310 -0.000 0.000 0.477 42 L N 1.612 122.639 121.223 -0.326 0.000 2.872 42 L HA 0.423 4.762 4.340 -0.002 0.000 0.245 42 L C 1.357 178.013 176.870 -0.356 0.000 1.211 42 L CA -0.091 54.451 54.840 -0.496 0.000 1.013 42 L CB -0.754 40.826 42.059 -0.799 0.000 1.326 42 L HN 0.589 8.819 8.230 -0.000 0.000 0.525 43 G N 0.289 108.895 108.800 -0.324 0.000 2.598 43 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.244 43 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.244 43 G C -0.449 174.205 174.900 -0.410 0.000 1.302 43 G CA -0.560 44.333 45.100 -0.345 0.000 0.903 43 G HN 0.351 8.642 8.290 -0.000 0.000 0.575 44 H N 0.079 119.150 119.070 0.003 0.000 2.499 44 H HA 0.566 5.121 4.556 -0.002 0.000 0.340 44 H C 1.036 176.417 175.328 0.088 0.000 1.148 44 H CA 0.482 56.551 56.048 0.036 0.000 1.215 44 H CB 1.335 31.112 29.762 0.025 0.000 1.529 44 H HN 2.082 10.362 8.280 -0.000 0.000 0.510 45 A N 2.196 125.135 122.820 0.198 0.000 2.745 45 A HA -0.289 4.030 4.320 -0.002 0.000 0.296 45 A C -0.262 177.409 177.584 0.145 0.000 1.500 45 A CA 0.538 52.661 52.037 0.142 0.000 0.766 45 A CB -2.670 16.403 19.000 0.122 0.000 1.030 45 A HN 0.588 8.738 8.150 -0.000 0.000 0.489 46 Y N -0.206 120.103 120.300 0.016 0.000 2.569 46 Y HA 0.315 4.863 4.550 -0.002 0.000 0.332 46 Y C -0.819 175.084 175.900 0.006 0.000 1.120 46 Y CA -0.723 57.378 58.100 0.002 0.000 1.416 46 Y CB 0.501 38.950 38.460 -0.018 0.000 1.210 46 Y HN 0.258 8.538 8.280 -0.000 0.000 0.528 47 P HA -0.298 4.122 4.420 -0.000 0.000 0.217 47 P C 1.338 178.537 177.300 -0.167 0.000 1.162 47 P CA 2.510 65.470 63.100 -0.233 0.000 0.901 47 P CB 0.191 31.717 31.700 -0.290 0.000 0.793 48 K N -0.931 119.323 120.400 -0.244 0.000 2.097 48 K HA -0.164 4.155 4.320 -0.002 0.000 0.206 48 K C 1.966 178.601 176.600 0.057 0.000 1.049 48 K CA 1.118 57.376 56.287 -0.049 0.000 0.933 48 K CB -0.662 31.849 32.500 0.018 0.000 0.717 48 K HN -0.032 8.218 8.250 -0.000 0.000 0.442 49 L N 0.862 122.180 121.223 0.158 0.000 2.072 49 L HA -0.090 4.249 4.340 -0.002 0.000 0.205 49 L C 1.958 178.868 176.870 0.066 0.000 1.079 49 L CA 1.883 56.803 54.840 0.133 0.000 0.752 49 L CB -0.751 41.418 42.059 0.183 0.000 0.906 49 L HN 0.126 8.356 8.230 -0.000 0.000 0.436 50 T N -0.369 114.220 114.554 0.059 0.000 2.684 50 T HA -0.154 4.195 4.350 -0.002 0.000 0.267 50 T C 1.733 176.438 174.700 0.008 0.000 1.036 50 T CA 1.566 63.684 62.100 0.030 0.000 1.148 50 T CB -0.211 68.672 68.868 0.024 0.000 0.863 50 T HN 0.328 8.568 8.240 -0.000 0.000 0.436 51 E N 1.140 121.338 120.200 -0.003 0.000 2.077 51 E HA -0.043 4.306 4.350 -0.002 0.000 0.193 51 E C 2.558 179.153 176.600 -0.008 0.000 0.989 51 E CA 1.156 57.550 56.400 -0.011 0.000 0.800 51 E CB -0.550 29.138 29.700 -0.020 0.000 0.746 51 E HN 0.512 8.872 8.360 -0.000 0.000 0.452 52 A N 1.249 124.069 122.820 0.000 0.000 1.877 52 A HA -0.140 4.179 4.320 -0.002 0.000 0.216 52 A C 2.407 179.981 177.584 -0.016 0.000 1.186 52 A CA 1.150 53.185 52.037 -0.004 0.000 0.620 52 A CB -0.723 18.282 19.000 0.010 0.000 0.822 52 A HN 0.181 8.331 8.150 -0.000 0.000 0.443 53 L N -0.754 120.462 121.223 -0.012 0.000 2.056 53 L HA -0.202 4.137 4.340 -0.002 0.000 0.207 53 L C 2.567 179.420 176.870 -0.028 0.000 1.078 53 L CA 1.717 56.542 54.840 -0.024 0.000 0.749 53 L CB -0.541 41.510 42.059 -0.013 0.000 0.901 53 L HN 0.374 8.604 8.230 -0.000 0.000 0.433 54 K N 0.029 120.417 120.400 -0.019 0.000 2.063 54 K HA -0.248 4.071 4.320 -0.002 0.000 0.208 54 K C 2.044 178.628 176.600 -0.027 0.000 1.048 54 K CA 1.616 57.891 56.287 -0.020 0.000 0.928 54 K CB -0.153 32.339 32.500 -0.014 0.000 0.713 54 K HN 0.330 8.580 8.250 -0.000 0.000 0.442 55 E N 0.953 121.137 120.200 -0.027 0.000 2.072 55 E HA -0.256 4.093 4.350 -0.002 0.000 0.191 55 E C 2.208 178.781 176.600 -0.045 0.000 0.985 55 E CA 1.133 57.515 56.400 -0.030 0.000 0.801 55 E CB 0.144 29.829 29.700 -0.025 0.000 0.750 55 E HN 0.113 8.473 8.360 -0.000 0.000 0.452 56 Q N 0.330 120.095 119.800 -0.057 0.000 2.119 56 Q HA -0.097 4.242 4.340 -0.002 0.000 0.201 56 Q C 2.061 178.008 176.000 -0.088 0.000 0.972 56 Q CA 1.275 57.025 55.803 -0.089 0.000 0.847 56 Q CB -0.224 28.447 28.738 -0.112 0.000 0.903 56 Q HN 0.199 8.469 8.270 -0.000 0.000 0.433 57 V N 0.581 120.455 119.914 -0.067 0.000 2.332 57 V HA -0.256 3.863 4.120 -0.002 0.000 0.248 57 V C 2.102 178.167 176.094 -0.049 0.000 1.055 57 V CA 2.251 64.516 62.300 -0.057 0.000 1.038 57 V CB -0.444 31.353 31.823 -0.043 0.000 0.651 57 V HN 0.460 8.650 8.190 -0.000 0.000 0.450 58 E N -0.879 119.296 120.200 -0.042 0.000 2.358 58 E HA -0.164 4.185 4.350 -0.002 0.000 0.195 58 E C 2.176 178.753 176.600 -0.038 0.000 1.010 58 E CA 0.693 57.073 56.400 -0.034 0.000 0.856 58 E CB 0.128 29.811 29.700 -0.027 0.000 0.795 58 E HN 0.552 8.912 8.360 -0.000 0.000 0.504 59 K N -0.551 119.817 120.400 -0.053 0.000 2.108 59 K HA 0.105 4.424 4.320 -0.002 0.000 0.204 59 K C -0.412 176.143 176.600 -0.076 0.000 1.036 59 K CA 0.403 56.654 56.287 -0.059 0.000 0.965 59 K CB 0.482 32.942 32.500 -0.067 0.000 0.804 59 K HN 0.020 8.270 8.250 -0.000 0.000 0.454 60 L N 0.866 122.021 121.223 -0.114 0.000 2.751 60 L HA 0.217 4.555 4.340 -0.002 0.000 0.261 60 L C -0.631 176.136 176.870 -0.171 0.000 0.927 60 L CA -0.195 54.562 54.840 -0.137 0.000 0.968 60 L CB 1.695 43.638 42.059 -0.194 0.000 1.432 60 L HN 0.120 8.350 8.230 -0.000 0.000 0.439 61 L N 2.514 123.682 121.223 -0.091 0.000 2.316 61 L HA 0.367 4.706 4.340 -0.002 0.000 0.207 61 L C -0.137 176.738 176.870 0.009 0.000 1.070 61 L CA 0.129 54.929 54.840 -0.066 0.000 0.820 61 L CB 0.159 42.207 42.059 -0.017 0.000 0.992 61 L HN 0.813 9.043 8.230 -0.000 0.000 0.466 62 H N -1.665 117.371 119.070 -0.056 0.000 3.112 62 H HA 0.349 4.903 4.556 -0.002 0.000 0.347 62 H C -0.405 174.987 175.328 0.107 0.000 1.188 62 H CA -0.334 55.739 56.048 0.041 0.000 1.240 62 H CB 1.596 31.427 29.762 0.115 0.000 1.920 62 H HN -0.220 8.060 8.280 -0.000 0.000 0.535 63 V N 1.346 120.964 119.914 -0.493 0.000 3.359 63 V HA 0.425 4.544 4.120 -0.002 0.000 0.270 63 V C 0.346 176.318 176.094 -0.203 0.000 1.583 63 V CA 0.695 62.892 62.300 -0.172 0.000 1.019 63 V CB -0.366 31.545 31.823 0.146 0.000 0.831 63 V HN 1.503 9.693 8.190 -0.000 0.000 0.426 64 S N 1.244 116.614 115.700 -0.549 0.000 3.900 64 S HA -0.180 4.289 4.470 -0.002 0.000 0.700 64 S C -0.093 174.491 174.600 -0.025 0.000 1.109 64 S CA 0.399 58.492 58.200 -0.178 0.000 1.200 64 S CB -1.765 61.408 63.200 -0.045 0.000 0.475 64 S HN 0.554 8.864 8.310 -0.000 0.000 0.721 65 N N 0.867 119.550 118.700 -0.028 0.000 2.370 65 N HA 0.171 4.910 4.740 -0.002 0.000 0.198 65 N C 1.408 176.828 175.510 -0.151 0.000 1.156 65 N CA 0.588 53.614 53.050 -0.039 0.000 0.839 65 N CB -0.577 37.914 38.487 0.007 0.000 0.989 65 N HN 0.561 8.941 8.380 -0.000 0.000 0.468 66 L N -0.285 120.731 121.223 -0.345 0.000 2.275 66 L HA -0.093 4.246 4.340 -0.002 0.000 0.215 66 L C 0.109 176.594 176.870 -0.641 0.000 1.119 66 L CA 1.102 55.583 54.840 -0.597 0.000 0.790 66 L CB -0.157 41.307 42.059 -0.992 0.000 0.919 66 L HN 0.103 8.333 8.230 -0.000 0.000 0.443 67 Y N -1.423 118.864 120.300 -0.021 0.000 2.650 67 Y HA 0.329 4.878 4.550 -0.002 0.000 0.331 67 Y C 0.487 176.341 175.900 -0.078 0.000 1.082 67 Y CA -1.763 56.316 58.100 -0.036 0.000 1.171 67 Y CB 0.399 38.848 38.460 -0.017 0.000 1.326 67 Y HN -0.162 8.118 8.280 -0.000 0.000 0.513 68 E N 1.322 121.564 120.200 0.070 0.000 2.360 68 E HA 0.071 4.419 4.350 -0.002 0.000 0.269 68 E C -0.873 175.556 176.600 -0.285 0.000 1.022 68 E CA -0.047 56.297 56.400 -0.093 0.000 0.887 68 E CB 0.400 30.046 29.700 -0.090 0.000 0.990 68 E HN 0.533 8.893 8.360 -0.000 0.000 0.426 69 N N 4.231 122.646 118.700 -0.475 0.000 2.800 69 N HA 0.132 4.871 4.740 -0.002 0.000 0.240 69 N C -2.144 172.658 175.510 -1.181 0.000 1.096 69 N CA -1.400 50.957 53.050 -1.155 0.000 0.877 69 N CB 1.454 39.513 38.487 -0.714 0.000 1.138 69 N HN 0.195 8.575 8.380 -0.000 0.000 0.509 70 P HA -0.153 4.267 4.420 -0.000 0.000 0.216 70 P C 1.058 178.175 177.300 -0.305 0.000 1.150 70 P CA 1.297 64.113 63.100 -0.473 0.000 0.843 70 P CB -0.030 31.518 31.700 -0.255 0.000 0.787 71 W N -0.122 121.175 121.300 -0.006 0.000 2.392 71 W HA -0.075 4.585 4.660 -0.000 0.000 0.279 71 W C 1.866 178.353 176.519 -0.054 0.000 1.225 71 W CA 0.656 57.983 57.345 -0.030 0.000 1.233 71 W CB -1.864 27.561 29.460 -0.059 0.000 1.122 71 W HN 0.033 8.213 8.180 -0.000 0.000 0.561 72 Q N 0.646 120.327 119.800 -0.197 0.000 2.083 72 Q HA -0.160 4.179 4.340 -0.002 0.000 0.198 72 Q C 2.265 178.362 176.000 0.162 0.000 0.969 72 Q CA 1.524 57.298 55.803 -0.048 0.000 0.838 72 Q CB -0.254 28.465 28.738 -0.032 0.000 0.900 72 Q HN 0.329 8.599 8.270 -0.000 0.000 0.436 73 E N 0.859 121.084 120.200 0.041 0.000 2.077 73 E HA -0.218 4.130 4.350 -0.002 0.000 0.193 73 E C 1.765 178.457 176.600 0.153 0.000 0.989 73 E CA 0.949 57.399 56.400 0.084 0.000 0.800 73 E CB -0.040 29.665 29.700 0.008 0.000 0.746 73 E HN 0.416 8.776 8.360 -0.000 0.000 0.452 74 E N 0.404 120.685 120.200 0.135 0.000 2.051 74 E HA -0.187 4.162 4.350 -0.002 0.000 0.192 74 E C 2.186 178.900 176.600 0.190 0.000 0.991 74 E CA 0.705 57.201 56.400 0.159 0.000 0.799 74 E CB -0.011 29.767 29.700 0.128 0.000 0.748 74 E HN 0.051 8.411 8.360 -0.000 0.000 0.449 75 L N 0.833 122.180 121.223 0.206 0.000 2.056 75 L HA -0.039 4.300 4.340 -0.002 0.000 0.207 75 L C 2.228 179.313 176.870 0.358 0.000 1.078 75 L CA 2.140 57.136 54.840 0.259 0.000 0.749 75 L CB -0.842 41.352 42.059 0.226 0.000 0.901 75 L HN 0.133 8.363 8.230 -0.000 0.000 0.433 76 A N -1.235 121.838 122.820 0.421 0.000 1.908 76 A HA -0.315 4.004 4.320 -0.002 0.000 0.218 76 A C 2.352 180.079 177.584 0.239 0.000 1.181 76 A CA 1.845 54.059 52.037 0.296 0.000 0.627 76 A CB -1.103 18.032 19.000 0.224 0.000 0.818 76 A HN 0.713 8.863 8.150 -0.000 0.000 0.445 77 H N 0.401 119.540 119.070 0.115 0.000 2.352 77 H HA -0.039 4.515 4.556 -0.002 0.000 0.299 77 H C 1.776 177.150 175.328 0.077 0.000 1.097 77 H CA 2.024 58.117 56.048 0.074 0.000 1.311 77 H CB -0.166 29.630 29.762 0.057 0.000 1.377 77 H HN 0.528 8.808 8.280 -0.000 0.000 0.504 78 K N -0.261 120.251 120.400 0.187 0.000 2.155 78 K HA -0.023 4.296 4.320 -0.002 0.000 0.203 78 K C 2.454 179.146 176.600 0.152 0.000 1.052 78 K CA 0.927 57.263 56.287 0.081 0.000 0.948 78 K CB 0.206 32.747 32.500 0.070 0.000 0.728 78 K HN 0.252 8.502 8.250 -0.000 0.000 0.448 79 L N 0.304 121.676 121.223 0.249 0.000 2.095 79 L HA -0.108 4.230 4.340 -0.002 0.000 0.204 79 L C 2.244 179.327 176.870 0.355 0.000 1.080 79 L CA 0.615 55.670 54.840 0.359 0.000 0.759 79 L CB -0.310 41.947 42.059 0.329 0.000 0.914 79 L HN -0.072 8.158 8.230 -0.000 0.000 0.439 80 V N 0.849 120.898 119.914 0.225 0.000 2.515 80 V HA -0.234 3.884 4.120 -0.002 0.000 0.250 80 V C 2.451 178.692 176.094 0.246 0.000 1.058 80 V CA 1.867 64.278 62.300 0.186 0.000 1.064 80 V CB -0.598 31.273 31.823 0.079 0.000 0.675 80 V HN 0.546 8.736 8.190 -0.000 0.000 0.461 81 K N -0.126 120.403 120.400 0.216 0.000 2.360 81 K HA -0.191 4.128 4.320 -0.002 0.000 0.201 81 K C 1.683 178.313 176.600 0.049 0.000 1.046 81 K CA 1.812 58.170 56.287 0.118 0.000 0.945 81 K CB -0.601 31.923 32.500 0.040 0.000 0.750 81 K HN 0.552 8.802 8.250 -0.000 0.000 0.464 82 H N -1.708 117.432 119.070 0.116 0.000 2.575 82 H HA 0.263 4.818 4.556 -0.002 0.000 0.267 82 H C -0.479 175.154 175.328 0.507 0.000 0.966 82 H CA -0.523 55.594 56.048 0.116 0.000 1.165 82 H CB 0.221 29.814 29.762 -0.282 0.000 1.433 82 H HN 0.129 8.409 8.280 -0.000 0.000 0.544 83 F N 0.800 121.026 119.950 0.460 0.000 2.440 83 F HA -0.047 4.479 4.527 -0.002 0.000 0.323 83 F C 1.103 177.086 175.800 0.304 0.000 1.192 83 F CA -0.827 57.422 58.000 0.415 0.000 1.252 83 F CB 0.514 39.592 39.000 0.129 0.000 1.214 83 F HN 0.247 8.547 8.300 -0.000 0.000 0.578 84 W N 1.752 122.917 121.300 -0.225 0.000 2.800 84 W HA 0.140 4.799 4.660 -0.002 0.000 0.249 84 W C -0.161 176.280 176.519 -0.129 0.000 1.294 84 W CA 0.879 58.131 57.345 -0.155 0.000 1.402 84 W CB -1.149 28.179 29.460 -0.221 0.000 1.126 84 W HN 0.488 8.668 8.180 -0.000 0.000 0.652 85 T N 0.690 114.705 114.554 -0.899 0.000 2.671 85 T HA 0.169 4.518 4.350 -0.002 0.000 0.300 85 T C -1.018 173.507 174.700 -0.293 0.000 1.238 85 T CA -0.622 61.062 62.100 -0.692 0.000 1.020 85 T CB 1.539 69.601 68.868 -1.343 0.000 1.503 85 T HN -0.210 8.030 8.240 -0.000 0.000 0.497 86 E N 0.636 120.705 120.200 -0.218 0.000 2.415 86 E HA 0.479 4.828 4.350 -0.002 0.000 0.263 86 E C 0.279 176.827 176.600 -0.086 0.000 0.995 86 E CA 0.280 56.617 56.400 -0.105 0.000 0.915 86 E CB 0.754 30.395 29.700 -0.098 0.000 0.951 86 E HN 0.838 9.198 8.360 -0.000 0.000 0.449 87 G N 1.661 110.425 108.800 -0.061 0.000 2.687 87 G HA2 0.572 4.531 3.960 -0.002 0.000 0.291 87 G HA3 0.572 4.531 3.960 -0.002 0.000 0.291 87 G C -0.993 173.824 174.900 -0.138 0.000 1.420 87 G CA -0.681 44.345 45.100 -0.123 0.000 0.796 87 G HN 0.249 8.539 8.290 -0.000 0.000 0.485 88 K N -0.851 119.446 120.400 -0.172 0.000 2.443 88 K HA 0.733 5.051 4.320 -0.002 0.000 0.251 88 K C -1.323 175.176 176.600 -0.170 0.000 0.972 88 K CA -0.818 55.393 56.287 -0.126 0.000 0.833 88 K CB 2.963 35.423 32.500 -0.068 0.000 1.317 88 K HN 0.280 8.530 8.250 -0.000 0.000 0.441 89 V N 1.730 121.559 119.914 -0.141 0.000 2.769 89 V HA 0.504 4.623 4.120 -0.002 0.000 0.312 89 V C -1.237 174.774 176.094 -0.139 0.000 1.061 89 V CA -0.877 61.279 62.300 -0.239 0.000 0.931 89 V CB 1.596 33.161 31.823 -0.431 0.000 1.010 89 V HN 0.691 8.881 8.190 -0.000 0.000 0.433 90 F N 4.093 123.880 119.950 -0.271 0.000 2.518 90 F HA 0.757 5.284 4.527 -0.001 0.000 0.323 90 F C -1.266 174.439 175.800 -0.159 0.000 1.129 90 F CA -1.004 56.961 58.000 -0.057 0.000 0.920 90 F CB 1.310 40.423 39.000 0.189 0.000 1.160 90 F HN 0.328 8.628 8.300 -0.000 0.000 0.440 91 F N 4.563 124.059 119.950 -0.757 0.000 2.399 91 F HA 0.761 5.288 4.527 -0.001 0.000 0.334 91 F C 0.508 175.887 175.800 -0.701 0.000 1.097 91 F CA -0.024 57.675 58.000 -0.501 0.000 1.076 91 F CB 1.426 40.293 39.000 -0.222 0.000 1.162 91 F HN 0.715 9.015 8.300 -0.000 0.000 0.495 92 A N 2.267 125.080 122.820 -0.012 0.000 2.726 92 A HA 0.553 4.872 4.320 -0.002 0.000 0.248 92 A C 0.217 177.898 177.584 0.162 0.000 1.249 92 A CA -0.636 51.466 52.037 0.108 0.000 0.846 92 A CB 0.991 20.160 19.000 0.281 0.000 1.391 92 A HN 0.679 8.829 8.150 -0.000 0.000 0.497 93 N N -0.629 118.178 118.700 0.177 0.000 2.181 93 N HA 0.160 4.899 4.740 -0.002 0.000 0.207 93 N C -0.295 175.290 175.510 0.126 0.000 1.182 93 N CA 0.984 54.126 53.050 0.152 0.000 0.893 93 N CB 0.804 39.400 38.487 0.180 0.000 1.032 93 N HN 0.743 9.123 8.380 -0.000 0.000 0.513 94 S N -2.460 113.321 115.700 0.136 0.000 2.636 94 S HA 0.475 4.944 4.470 -0.002 0.000 0.268 94 S C 0.900 175.571 174.600 0.118 0.000 1.159 94 S CA -0.363 57.905 58.200 0.114 0.000 0.815 94 S CB 1.005 64.266 63.200 0.103 0.000 1.130 94 S HN -0.041 8.269 8.310 -0.000 0.000 0.471 95 G N 0.617 109.479 108.800 0.103 0.000 2.421 95 G HA2 -0.112 3.846 3.960 -0.002 0.000 0.216 95 G HA3 -0.112 3.846 3.960 -0.002 0.000 0.216 95 G C 1.274 176.223 174.900 0.082 0.000 1.171 95 G CA 1.581 46.740 45.100 0.100 0.000 0.775 95 G HN 0.891 9.181 8.290 -0.000 0.000 0.543 96 T N 0.281 114.869 114.554 0.058 0.000 2.720 96 T HA -0.106 4.243 4.350 -0.002 0.000 0.268 96 T C 2.223 176.960 174.700 0.062 0.000 1.037 96 T CA 1.895 64.006 62.100 0.019 0.000 1.144 96 T CB -0.264 68.593 68.868 -0.020 0.000 0.864 96 T HN 0.488 8.728 8.240 -0.000 0.000 0.444 97 E N 0.261 120.528 120.200 0.111 0.000 2.153 97 E HA -0.066 4.283 4.350 -0.002 0.000 0.194 97 E C 2.523 179.253 176.600 0.216 0.000 0.988 97 E CA 1.104 57.610 56.400 0.177 0.000 0.811 97 E CB -0.053 29.777 29.700 0.217 0.000 0.746 97 E HN 0.434 8.794 8.360 -0.000 0.000 0.466 98 S N 0.319 116.126 115.700 0.179 0.000 2.371 98 S HA -0.097 4.372 4.470 -0.002 0.000 0.224 98 S C 2.190 176.848 174.600 0.097 0.000 1.029 98 S CA 0.635 58.940 58.200 0.176 0.000 0.978 98 S CB -0.025 63.258 63.200 0.139 0.000 0.833 98 S HN 0.060 8.370 8.310 -0.000 0.000 0.466 99 V N 2.393 122.339 119.914 0.055 0.000 2.407 99 V HA -0.134 3.985 4.120 -0.002 0.000 0.248 99 V C 2.500 178.573 176.094 -0.035 0.000 1.055 99 V CA 1.448 63.741 62.300 -0.011 0.000 1.049 99 V CB -0.573 31.237 31.823 -0.022 0.000 0.662 99 V HN 0.419 8.609 8.190 -0.000 0.000 0.455 100 E N 0.470 120.676 120.200 0.009 0.000 2.058 100 E HA -0.242 4.106 4.350 -0.002 0.000 0.194 100 E C 2.384 178.964 176.600 -0.033 0.000 0.997 100 E CA 1.623 58.027 56.400 0.007 0.000 0.801 100 E CB -0.448 29.295 29.700 0.072 0.000 0.746 100 E HN 0.589 8.949 8.360 -0.000 0.000 0.450 101 A N 1.535 124.359 122.820 0.006 0.000 1.902 101 A HA -0.092 4.227 4.320 -0.002 0.000 0.217 101 A C 2.439 179.924 177.584 -0.164 0.000 1.181 101 A CA 2.023 54.003 52.037 -0.096 0.000 0.623 101 A CB -0.542 18.526 19.000 0.113 0.000 0.818 101 A HN 0.278 8.428 8.150 -0.000 0.000 0.443 102 A N -0.123 122.621 122.820 -0.127 0.000 1.902 102 A HA -0.067 4.252 4.320 -0.002 0.000 0.217 102 A C 2.117 179.617 177.584 -0.140 0.000 1.181 102 A CA 1.509 53.447 52.037 -0.165 0.000 0.623 102 A CB -0.576 18.353 19.000 -0.119 0.000 0.818 102 A HN 0.500 8.650 8.150 -0.000 0.000 0.443 103 I N -0.538 119.938 120.570 -0.155 0.000 2.202 103 I HA -0.265 3.904 4.170 -0.002 0.000 0.242 103 I C 2.446 178.597 176.117 0.057 0.000 1.091 103 I CA 1.579 62.761 61.300 -0.195 0.000 1.368 103 I CB -0.251 37.615 38.000 -0.224 0.000 1.058 103 I HN 0.275 8.485 8.210 -0.000 0.000 0.410 104 K N 0.260 120.672 120.400 0.020 0.000 2.097 104 K HA -0.189 4.129 4.320 -0.002 0.000 0.206 104 K C 2.078 178.763 176.600 0.142 0.000 1.049 104 K CA 1.185 57.524 56.287 0.088 0.000 0.933 104 K CB -0.272 32.218 32.500 -0.016 0.000 0.717 104 K HN 0.137 8.387 8.250 -0.000 0.000 0.442 105 L N 1.167 122.373 121.223 -0.027 0.000 2.056 105 L HA -0.101 4.237 4.340 -0.002 0.000 0.207 105 L C 2.211 179.068 176.870 -0.022 0.000 1.078 105 L CA 1.737 56.454 54.840 -0.204 0.000 0.749 105 L CB -0.674 40.946 42.059 -0.731 0.000 0.901 105 L HN 0.112 8.342 8.230 -0.000 0.000 0.433 106 A N -0.435 122.421 122.820 0.060 0.000 1.902 106 A HA -0.218 4.100 4.320 -0.002 0.000 0.217 106 A C 2.458 180.238 177.584 0.326 0.000 1.181 106 A CA 1.839 53.994 52.037 0.197 0.000 0.623 106 A CB -0.547 18.721 19.000 0.446 0.000 0.818 106 A HN 0.494 8.644 8.150 -0.000 0.000 0.443 107 R N -0.742 119.988 120.500 0.385 0.000 2.066 107 R HA -0.095 4.244 4.340 -0.002 0.000 0.232 107 R C 2.369 178.829 176.300 0.267 0.000 1.131 107 R CA 1.592 57.906 56.100 0.357 0.000 0.955 107 R CB -0.256 30.253 30.300 0.350 0.000 0.851 107 R HN 0.560 8.829 8.270 -0.000 0.000 0.432 108 K N -0.039 120.484 120.400 0.205 0.000 2.211 108 K HA -0.190 4.129 4.320 -0.002 0.000 0.203 108 K C 1.949 178.609 176.600 0.100 0.000 1.050 108 K CA 1.048 57.424 56.287 0.150 0.000 0.945 108 K CB -0.114 32.482 32.500 0.160 0.000 0.732 108 K HN 0.113 8.363 8.250 -0.000 0.000 0.451 109 Y N -0.202 120.051 120.300 -0.077 0.000 2.128 109 Y HA -0.263 4.286 4.550 -0.002 0.000 0.284 109 Y C 1.418 177.141 175.900 -0.295 0.000 1.154 109 Y CA 1.984 59.922 58.100 -0.270 0.000 1.149 109 Y CB -0.425 37.737 38.460 -0.497 0.000 0.976 109 Y HN 0.134 8.414 8.280 -0.000 0.000 0.505 110 W N 0.095 121.381 121.300 -0.024 0.000 2.453 110 W HA -0.053 4.606 4.660 -0.002 0.000 0.289 110 W C 2.425 178.886 176.519 -0.097 0.000 1.215 110 W CA 0.443 57.716 57.345 -0.120 0.000 1.297 110 W CB -0.184 29.276 29.460 -0.001 0.000 1.113 110 W HN -0.236 7.944 8.180 -0.000 0.000 0.551 111 R N 0.616 121.222 120.500 0.177 0.000 2.105 111 R HA -0.142 4.197 4.340 -0.002 0.000 0.239 111 R C 1.310 177.626 176.300 0.027 0.000 1.135 111 R CA 1.475 57.635 56.100 0.099 0.000 0.967 111 R CB -1.086 29.269 30.300 0.092 0.000 0.861 111 R HN 0.214 8.484 8.270 -0.000 0.000 0.442 112 D N 0.666 121.049 120.400 -0.028 0.000 2.178 112 D HA -0.111 4.527 4.640 -0.002 0.000 0.201 112 D C 1.198 177.450 176.300 -0.080 0.000 0.980 112 D CA 1.132 55.094 54.000 -0.064 0.000 0.842 112 D CB 0.006 40.744 40.800 -0.104 0.000 0.948 112 D HN 0.249 8.619 8.370 -0.000 0.000 0.472 113 K N -0.441 119.898 120.400 -0.102 0.000 2.458 113 K HA 0.201 4.520 4.320 -0.002 0.000 0.194 113 K C 1.023 177.626 176.600 0.005 0.000 1.024 113 K CA 0.396 56.645 56.287 -0.065 0.000 1.108 113 K CB 0.652 33.106 32.500 -0.078 0.000 0.846 113 K HN 0.090 8.340 8.250 -0.000 0.000 0.518 114 G N 2.291 111.101 108.800 0.016 0.000 2.153 114 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.252 114 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.252 114 G C -0.328 174.596 174.900 0.040 0.000 0.994 114 G CA 0.256 45.370 45.100 0.023 0.000 0.698 114 G HN 0.280 8.570 8.290 -0.000 0.000 0.521 115 K N -0.149 120.299 120.400 0.080 0.000 2.138 115 K HA 0.331 4.650 4.320 -0.002 0.000 0.263 115 K C 0.169 176.820 176.600 0.084 0.000 0.965 115 K CA -0.670 55.660 56.287 0.072 0.000 0.868 115 K CB 1.200 33.761 32.500 0.103 0.000 1.083 115 K HN 0.169 8.419 8.250 -0.000 0.000 0.443 116 N N 2.952 121.680 118.700 0.047 0.000 3.331 116 N HA 0.022 4.760 4.740 -0.002 0.000 0.303 116 N C -1.060 174.539 175.510 0.148 0.000 1.326 116 N CA -0.141 52.974 53.050 0.110 0.000 1.207 116 N CB 0.229 38.773 38.487 0.094 0.000 1.477 116 N HN 0.263 8.643 8.380 -0.000 0.000 0.541 117 K N 1.803 122.220 120.400 0.029 0.000 2.263 117 K HA 0.157 4.476 4.320 -0.002 0.000 0.272 117 K C 0.064 176.646 176.600 -0.031 0.000 1.033 117 K CA -0.679 55.472 56.287 -0.225 0.000 0.884 117 K CB 0.828 32.868 32.500 -0.767 0.000 1.107 117 K HN 0.510 8.760 8.250 -0.000 0.000 0.460 118 W N 2.719 123.851 121.300 -0.280 0.000 2.121 118 W HA 0.241 4.900 4.660 -0.002 0.000 0.275 118 W C -0.331 175.911 176.519 -0.461 0.000 0.903 118 W CA -0.437 56.754 57.345 -0.256 0.000 1.253 118 W CB 0.004 29.403 29.460 -0.103 0.000 1.016 118 W HN 0.164 8.344 8.180 -0.000 0.000 0.537 119 K N 1.230 120.938 120.400 -1.153 0.000 2.118 119 K HA 0.511 4.829 4.320 -0.002 0.000 0.264 119 K C -1.403 174.527 176.600 -1.117 0.000 1.000 119 K CA -0.209 55.407 56.287 -1.119 0.000 0.929 119 K CB 1.249 33.099 32.500 -1.084 0.000 1.021 119 K HN -0.286 7.964 8.250 -0.000 0.000 0.463 120 F N 1.122 120.650 119.950 -0.703 0.000 2.576 120 F HA 0.461 4.987 4.527 -0.002 0.000 0.313 120 F C -0.126 175.441 175.800 -0.388 0.000 1.078 120 F CA -0.838 56.843 58.000 -0.531 0.000 0.921 120 F CB 1.335 39.934 39.000 -0.669 0.000 1.232 120 F HN 0.175 8.475 8.300 -0.000 0.000 0.459 121 I N 2.417 122.947 120.570 -0.065 0.000 2.389 121 I HA 0.429 4.598 4.170 -0.002 0.000 0.288 121 I C -0.293 175.765 176.117 -0.099 0.000 0.999 121 I CA -0.206 61.006 61.300 -0.147 0.000 1.129 121 I CB 1.520 39.380 38.000 -0.234 0.000 1.288 121 I HN 0.701 8.911 8.210 -0.000 0.000 0.444 122 S N 5.195 120.871 115.700 -0.039 0.000 2.823 122 S HA 0.741 5.210 4.470 -0.002 0.000 0.316 122 S C -0.786 173.708 174.600 -0.178 0.000 1.116 122 S CA -0.691 57.570 58.200 0.102 0.000 0.911 122 S CB 1.630 65.102 63.200 0.452 0.000 1.276 122 S HN 0.261 8.571 8.310 -0.000 0.000 0.565 123 F N 0.594 120.763 119.950 0.365 0.000 2.561 123 F HA 0.479 5.004 4.527 -0.002 0.000 0.321 123 F C 0.437 176.333 175.800 0.159 0.000 1.065 123 F CA -0.972 57.185 58.000 0.261 0.000 0.934 123 F CB 1.222 40.342 39.000 0.200 0.000 1.215 123 F HN 0.577 8.877 8.300 -0.000 0.000 0.471 124 E N 1.309 121.678 120.200 0.281 0.000 2.415 124 E HA 0.038 4.387 4.350 -0.002 0.000 0.262 124 E C -0.189 176.468 176.600 0.095 0.000 1.038 124 E CA 0.250 56.712 56.400 0.104 0.000 0.921 124 E CB 0.139 29.893 29.700 0.091 0.000 0.950 124 E HN 0.594 8.954 8.360 -0.000 0.000 0.438 125 N N -0.059 118.655 118.700 0.022 0.000 2.878 125 N HA -0.173 4.566 4.740 -0.002 0.000 0.247 125 N C -0.327 175.224 175.510 0.068 0.000 1.021 125 N CA 1.314 54.383 53.050 0.033 0.000 0.873 125 N CB -1.617 36.885 38.487 0.024 0.000 1.128 125 N HN 0.576 8.956 8.380 -0.000 0.000 0.571 126 S N -0.350 115.396 115.700 0.076 0.000 2.669 126 S HA 0.715 5.184 4.470 -0.002 0.000 0.270 126 S C -0.351 174.242 174.600 -0.012 0.000 1.225 126 S CA -0.585 57.624 58.200 0.015 0.000 0.991 126 S CB 1.931 65.179 63.200 0.080 0.000 0.987 126 S HN 0.235 8.545 8.310 -0.000 0.000 0.552 127 F N 1.099 120.809 119.950 -0.400 0.000 2.730 127 F HA 0.420 4.945 4.527 -0.002 0.000 0.335 127 F C -0.023 175.507 175.800 -0.449 0.000 1.212 127 F CA -0.586 57.235 58.000 -0.298 0.000 1.016 127 F CB 1.360 40.275 39.000 -0.143 0.000 1.290 127 F HN 0.813 9.113 8.300 -0.000 0.000 0.495 128 H N 3.564 122.313 119.070 -0.536 0.000 2.893 128 H HA 0.542 5.097 4.556 -0.002 0.000 0.270 128 H C 0.792 175.831 175.328 -0.483 0.000 1.095 128 H CA 0.446 56.286 56.048 -0.347 0.000 1.186 128 H CB 1.114 30.783 29.762 -0.155 0.000 1.562 128 H HN 0.764 9.044 8.280 -0.000 0.000 0.536 129 G N 0.433 108.708 108.800 -0.874 0.000 2.359 129 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.314 129 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.314 129 G C -0.099 174.492 174.900 -0.515 0.000 1.364 129 G CA -0.797 43.968 45.100 -0.559 0.000 0.978 129 G HN 0.020 8.310 8.290 -0.000 0.000 0.615 130 R N -0.583 119.745 120.500 -0.287 0.000 2.335 130 R HA 0.175 4.514 4.340 -0.002 0.000 0.210 130 R C 1.424 177.546 176.300 -0.298 0.000 0.892 130 R CA 0.985 56.923 56.100 -0.270 0.000 1.048 130 R CB 0.166 30.354 30.300 -0.187 0.000 1.067 130 R HN 0.848 9.118 8.270 -0.000 0.000 0.524 131 T N -1.955 112.476 114.554 -0.205 0.000 2.868 131 T HA 0.103 4.452 4.350 -0.002 0.000 0.292 131 T C 1.232 175.813 174.700 -0.197 0.000 1.028 131 T CA -0.438 61.568 62.100 -0.157 0.000 1.059 131 T CB 0.729 69.578 68.868 -0.032 0.000 0.991 131 T HN 0.005 8.245 8.240 -0.000 0.000 0.531 132 Y N 1.967 122.207 120.300 -0.099 0.000 2.096 132 Y HA -0.130 4.419 4.550 -0.002 0.000 0.278 132 Y C 2.782 178.595 175.900 -0.145 0.000 1.192 132 Y CA 2.368 60.406 58.100 -0.103 0.000 1.143 132 Y CB -1.030 37.398 38.460 -0.054 0.000 0.963 132 Y HN 0.922 9.202 8.280 -0.000 0.000 0.505 133 G N -1.690 107.124 108.800 0.023 0.000 2.414 133 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.215 133 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.215 133 G C 1.884 176.645 174.900 -0.231 0.000 1.188 133 G CA 1.134 46.187 45.100 -0.077 0.000 0.783 133 G HN 0.391 8.681 8.290 -0.000 0.000 0.537 134 S N 0.327 115.930 115.700 -0.161 0.000 2.402 134 S HA -0.078 4.391 4.470 -0.002 0.000 0.229 134 S C 2.125 176.598 174.600 -0.211 0.000 1.021 134 S CA 0.964 59.062 58.200 -0.170 0.000 0.974 134 S CB -0.217 62.897 63.200 -0.144 0.000 0.800 134 S HN 0.230 8.540 8.310 -0.000 0.000 0.484 135 L N 1.808 122.885 121.223 -0.242 0.000 2.141 135 L HA 0.025 4.364 4.340 -0.002 0.000 0.209 135 L C 2.061 178.826 176.870 -0.174 0.000 1.094 135 L CA 1.506 56.227 54.840 -0.198 0.000 0.763 135 L CB -0.776 41.110 42.059 -0.288 0.000 0.908 135 L HN 0.124 8.354 8.230 -0.000 0.000 0.437 136 S N -0.369 115.104 115.700 -0.378 0.000 2.402 136 S HA -0.023 4.446 4.470 -0.002 0.000 0.229 136 S C 2.005 176.316 174.600 -0.481 0.000 1.021 136 S CA 0.887 58.751 58.200 -0.561 0.000 0.974 136 S CB -0.378 62.262 63.200 -0.933 0.000 0.800 136 S HN 0.626 8.936 8.310 -0.000 0.000 0.484 137 A N 1.036 123.585 122.820 -0.452 0.000 2.021 137 A HA 0.121 4.440 4.320 -0.002 0.000 0.216 137 A C 1.228 179.043 177.584 0.386 0.000 1.163 137 A CA 0.558 52.638 52.037 0.071 0.000 0.676 137 A CB -0.511 18.492 19.000 0.006 0.000 0.818 137 A HN 0.355 8.505 8.150 -0.000 0.000 0.453 138 T N 1.441 116.126 114.554 0.218 0.000 2.784 138 T HA 0.344 4.693 4.350 -0.002 0.000 0.291 138 T C 0.923 175.632 174.700 0.016 0.000 0.942 138 T CA 0.510 62.691 62.100 0.134 0.000 1.161 138 T CB 0.904 69.780 68.868 0.013 0.000 0.885 138 T HN 0.330 8.570 8.240 -0.000 0.000 0.534 139 G N 3.767 112.466 108.800 -0.168 0.000 3.581 139 G HA2 0.238 4.197 3.960 -0.002 0.000 0.255 139 G HA3 0.238 4.197 3.960 -0.002 0.000 0.255 139 G C 0.053 174.684 174.900 -0.450 0.000 1.121 139 G CA -0.368 44.321 45.100 -0.684 0.000 1.739 139 G HN 0.696 8.986 8.290 -0.000 0.000 0.646 140 Q N 0.028 119.580 119.800 -0.413 0.000 2.786 140 Q HA 0.151 4.489 4.340 -0.002 0.000 0.240 140 Q C -2.180 173.429 176.000 -0.651 0.000 0.928 140 Q CA -1.710 53.867 55.803 -0.377 0.000 0.721 140 Q CB 2.791 31.429 28.738 -0.167 0.000 1.318 140 Q HN 0.057 8.327 8.270 -0.000 0.000 0.474 141 P HA -0.302 4.118 4.420 -0.000 0.000 0.217 141 P C 1.078 178.197 177.300 -0.300 0.000 1.148 141 P CA 1.508 64.353 63.100 -0.426 0.000 0.834 141 P CB 0.203 31.832 31.700 -0.118 0.000 0.783 142 K N -1.398 118.787 120.400 -0.358 0.000 2.211 142 K HA -0.142 4.177 4.320 -0.002 0.000 0.204 142 K C 1.295 177.780 176.600 -0.191 0.000 1.047 142 K CA 1.554 57.650 56.287 -0.318 0.000 0.935 142 K CB -0.986 31.233 32.500 -0.468 0.000 0.728 142 K HN 0.082 8.332 8.250 -0.000 0.000 0.452 143 F N 1.369 121.286 119.950 -0.056 0.000 2.743 143 F HA 0.124 4.650 4.527 -0.002 0.000 0.297 143 F C 1.599 177.588 175.800 0.315 0.000 1.131 143 F CA 0.357 58.422 58.000 0.108 0.000 1.426 143 F CB -0.333 38.723 39.000 0.093 0.000 1.116 143 F HN 0.140 8.440 8.300 -0.000 0.000 0.583 144 H N -1.319 117.934 119.070 0.305 0.000 2.525 144 H HA 0.018 4.573 4.556 -0.002 0.000 0.275 144 H C 1.179 176.626 175.328 0.198 0.000 0.984 144 H CA -0.190 56.035 56.048 0.297 0.000 1.264 144 H CB 0.225 30.097 29.762 0.184 0.000 1.432 144 H HN -0.195 8.085 8.280 -0.000 0.000 0.549 145 K N 1.446 121.943 120.400 0.162 0.000 2.366 145 K HA -0.109 4.210 4.320 -0.002 0.000 0.272 145 K C 0.695 177.057 176.600 -0.396 0.000 1.151 145 K CA 1.021 57.273 56.287 -0.057 0.000 1.173 145 K CB -0.282 32.187 32.500 -0.052 0.000 0.853 145 K HN 0.719 8.969 8.250 -0.000 0.000 0.473 146 G N 4.207 112.793 108.800 -0.358 0.000 2.195 146 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.224 146 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.224 146 G C 0.277 174.853 174.900 -0.540 0.000 0.990 146 G CA 0.042 44.830 45.100 -0.520 0.000 0.639 146 G HN 0.551 8.841 8.290 -0.000 0.000 0.514 147 F N 1.436 121.454 119.950 0.113 0.000 2.706 147 F HA 0.431 4.957 4.527 -0.002 0.000 0.308 147 F C 1.172 177.108 175.800 0.228 0.000 1.095 147 F CA -0.552 57.541 58.000 0.156 0.000 1.244 147 F CB 0.180 39.211 39.000 0.052 0.000 1.063 147 F HN 0.092 8.392 8.300 -0.000 0.000 0.582 148 E N 2.756 123.113 120.200 0.263 0.000 2.436 148 E HA 0.083 4.432 4.350 -0.002 0.000 0.262 148 E C -1.919 174.782 176.600 0.170 0.000 1.063 148 E CA -1.095 55.431 56.400 0.211 0.000 0.944 148 E CB -0.315 29.468 29.700 0.138 0.000 0.950 148 E HN 0.014 8.374 8.360 -0.000 0.000 0.444 149 P HA 0.120 4.540 4.420 -0.000 0.000 0.279 149 P C -0.708 176.695 177.300 0.171 0.000 1.239 149 P CA -0.140 63.035 63.100 0.125 0.000 0.789 149 P CB 0.747 32.492 31.700 0.076 0.000 0.933 150 L N 1.328 122.653 121.223 0.169 0.000 2.657 150 L HA 0.358 4.697 4.340 -0.002 0.000 0.240 150 L C 0.524 177.489 176.870 0.159 0.000 1.151 150 L CA -1.454 53.506 54.840 0.200 0.000 0.831 150 L CB 0.122 42.202 42.059 0.035 0.000 1.539 150 L HN 0.102 8.332 8.230 -0.000 0.000 0.511 151 V N 0.821 120.833 119.914 0.163 0.000 2.521 151 V HA 0.108 4.227 4.120 -0.002 0.000 0.286 151 V C -2.030 174.285 176.094 0.369 0.000 1.034 151 V CA -1.086 61.354 62.300 0.233 0.000 1.045 151 V CB 0.262 32.254 31.823 0.281 0.000 0.974 151 V HN 0.559 8.749 8.190 -0.000 0.000 0.480 152 P HA 0.391 4.811 4.420 -0.000 0.000 0.272 152 P C 0.855 178.502 177.300 0.577 0.000 1.223 152 P CA 0.782 64.126 63.100 0.407 0.000 0.784 152 P CB 0.817 32.706 31.700 0.316 0.000 0.923 153 G N -0.029 108.999 108.800 0.381 0.000 2.184 153 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.206 153 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.206 153 G C -0.330 174.400 174.900 -0.283 0.000 0.995 153 G CA -0.635 44.427 45.100 -0.063 0.000 0.651 153 G HN 0.350 8.640 8.290 -0.000 0.000 0.511 154 F N 2.485 122.411 119.950 -0.039 0.000 2.415 154 F HA 0.686 5.212 4.527 -0.002 0.000 0.348 154 F C 0.792 176.335 175.800 -0.429 0.000 1.119 154 F CA -0.345 57.575 58.000 -0.134 0.000 1.069 154 F CB 2.067 41.052 39.000 -0.024 0.000 1.124 154 F HN 0.271 8.571 8.300 -0.000 0.000 0.472 155 S N 1.918 117.401 115.700 -0.362 0.000 2.599 155 S HA 0.736 5.205 4.470 -0.002 0.000 0.294 155 S C -1.666 172.613 174.600 -0.535 0.000 1.094 155 S CA -0.827 57.056 58.200 -0.528 0.000 0.931 155 S CB 1.401 64.431 63.200 -0.283 0.000 1.093 155 S HN 0.344 8.654 8.310 -0.000 0.000 0.488 156 Y N 0.811 121.122 120.300 0.019 0.000 2.345 156 Y HA 0.731 5.280 4.550 -0.002 0.000 0.331 156 Y C 0.654 176.516 175.900 -0.062 0.000 0.959 156 Y CA -0.864 57.227 58.100 -0.016 0.000 1.204 156 Y CB 0.856 39.359 38.460 0.072 0.000 1.135 156 Y HN 1.057 9.337 8.280 -0.000 0.000 0.477 157 A N 3.673 126.447 122.820 -0.077 0.000 2.257 157 A HA 0.728 5.047 4.320 -0.002 0.000 0.290 157 A C -0.352 177.346 177.584 0.191 0.000 1.201 157 A CA -0.926 51.093 52.037 -0.030 0.000 0.863 157 A CB 0.672 19.565 19.000 -0.179 0.000 1.256 157 A HN 0.710 8.860 8.150 -0.000 0.000 0.506 158 K N -0.204 120.365 120.400 0.283 0.000 2.221 158 K HA 0.455 4.774 4.320 -0.002 0.000 0.258 158 K C -1.146 175.584 176.600 0.217 0.000 0.944 158 K CA -0.714 55.725 56.287 0.255 0.000 0.823 158 K CB 1.794 34.357 32.500 0.106 0.000 1.113 158 K HN 0.467 8.717 8.250 -0.000 0.000 0.431 159 L N 3.862 125.107 121.223 0.036 0.000 2.525 159 L HA -0.042 4.296 4.340 -0.002 0.000 0.278 159 L C 0.124 176.557 176.870 -0.729 0.000 1.218 159 L CA 0.955 55.517 54.840 -0.463 0.000 0.878 159 L CB -0.231 41.636 42.059 -0.322 0.000 1.127 159 L HN 0.712 8.942 8.230 -0.000 0.000 0.492 160 N N 1.932 119.618 118.700 -1.691 0.000 2.741 160 N HA -0.234 4.505 4.740 -0.002 0.000 0.250 160 N C -0.605 174.591 175.510 -0.524 0.000 1.115 160 N CA 1.236 53.567 53.050 -1.198 0.000 0.724 160 N CB -1.142 37.039 38.487 -0.510 0.000 1.090 160 N HN 0.717 9.097 8.380 -0.000 0.000 0.558 161 D N 0.306 120.465 120.400 -0.401 0.000 2.400 161 D HA 0.250 4.889 4.640 -0.002 0.000 0.272 161 D C 0.968 177.439 176.300 0.285 0.000 1.220 161 D CA -0.620 53.390 54.000 0.016 0.000 0.897 161 D CB 0.074 40.891 40.800 0.028 0.000 1.134 161 D HN -0.007 8.363 8.370 -0.000 0.000 0.507 162 I N 2.049 122.873 120.570 0.423 0.000 2.454 162 I HA -0.191 3.978 4.170 -0.002 0.000 0.254 162 I C 1.393 177.741 176.117 0.384 0.000 1.156 162 I CA 1.451 63.032 61.300 0.468 0.000 1.433 162 I CB 0.187 38.415 38.000 0.380 0.000 1.082 162 I HN 0.255 8.465 8.210 -0.000 0.000 0.432 163 D N -0.268 120.313 120.400 0.301 0.000 2.144 163 D HA -0.148 4.491 4.640 -0.002 0.000 0.200 163 D C 2.378 178.808 176.300 0.217 0.000 0.978 163 D CA 1.624 55.781 54.000 0.262 0.000 0.833 163 D CB -0.280 40.606 40.800 0.143 0.000 0.961 163 D HN 0.507 8.877 8.370 -0.000 0.000 0.470 164 S N 0.342 116.150 115.700 0.181 0.000 2.419 164 S HA -0.094 4.375 4.470 -0.002 0.000 0.233 164 S C 2.200 176.867 174.600 0.111 0.000 1.016 164 S CA 0.635 58.914 58.200 0.133 0.000 0.974 164 S CB -0.481 62.798 63.200 0.131 0.000 0.786 164 S HN 0.072 8.382 8.310 -0.000 0.000 0.492 165 V N 0.337 120.340 119.914 0.147 0.000 2.346 165 V HA -0.058 4.061 4.120 -0.002 0.000 0.244 165 V C 2.228 178.297 176.094 -0.042 0.000 1.037 165 V CA 1.462 63.778 62.300 0.027 0.000 1.029 165 V CB -1.072 30.775 31.823 0.040 0.000 0.663 165 V HN 0.419 8.609 8.190 -0.000 0.000 0.454 166 Y N 0.867 121.183 120.300 0.026 0.000 2.193 166 Y HA -0.284 4.265 4.550 -0.002 0.000 0.285 166 Y C 2.539 178.423 175.900 -0.027 0.000 1.166 166 Y CA 2.151 60.247 58.100 -0.007 0.000 1.181 166 Y CB -0.377 38.085 38.460 0.004 0.000 0.976 166 Y HN 0.161 8.441 8.280 -0.000 0.000 0.520 167 K N 0.578 121.061 120.400 0.139 0.000 2.097 167 K HA -0.102 4.217 4.320 -0.002 0.000 0.206 167 K C 1.550 178.149 176.600 -0.002 0.000 1.049 167 K CA 1.441 57.764 56.287 0.060 0.000 0.933 167 K CB -0.503 32.028 32.500 0.052 0.000 0.717 167 K HN 0.351 8.601 8.250 -0.000 0.000 0.442 168 L N 0.274 121.476 121.223 -0.036 0.000 2.509 168 L HA 0.142 4.481 4.340 -0.002 0.000 0.222 168 L C 0.341 177.128 176.870 -0.139 0.000 1.123 168 L CA -0.494 54.289 54.840 -0.095 0.000 0.856 168 L CB -0.053 41.932 42.059 -0.122 0.000 0.985 168 L HN 0.099 8.329 8.230 -0.000 0.000 0.456 169 L N 1.377 122.529 121.223 -0.120 0.000 2.331 169 L HA 0.260 4.598 4.340 -0.002 0.000 0.278 169 L C -0.320 176.467 176.870 -0.138 0.000 1.106 169 L CA 0.168 54.915 54.840 -0.156 0.000 0.824 169 L CB 0.460 42.426 42.059 -0.154 0.000 1.142 169 L HN 0.139 8.369 8.230 -0.000 0.000 0.443 170 D N 1.130 121.415 120.400 -0.192 0.000 2.744 170 D HA 0.208 4.846 4.640 -0.002 0.000 0.304 170 D C 0.016 176.187 176.300 -0.216 0.000 1.179 170 D CA -0.497 53.400 54.000 -0.173 0.000 1.024 170 D CB 0.434 41.132 40.800 -0.170 0.000 1.453 170 D HN 0.498 8.868 8.370 -0.000 0.000 0.529 171 E N -0.795 119.291 120.200 -0.189 0.000 2.516 171 E HA -0.053 4.296 4.350 -0.002 0.000 0.199 171 E C 0.356 176.788 176.600 -0.281 0.000 1.069 171 E CA 0.575 56.847 56.400 -0.215 0.000 0.876 171 E CB 0.117 29.727 29.700 -0.150 0.000 0.843 171 E HN 0.452 8.812 8.360 -0.000 0.000 0.530 172 E N 0.330 120.342 120.200 -0.314 0.000 2.476 172 E HA 0.042 4.391 4.350 -0.002 0.000 0.196 172 E C -0.315 175.913 176.600 -0.619 0.000 1.029 172 E CA -0.003 56.155 56.400 -0.404 0.000 0.896 172 E CB 0.700 30.173 29.700 -0.379 0.000 1.012 172 E HN -0.045 8.315 8.360 -0.000 0.000 0.475 173 T N 0.952 115.176 114.554 -0.551 0.000 2.737 173 T HA 0.237 4.586 4.350 -0.002 0.000 0.296 173 T C 0.969 175.286 174.700 -0.638 0.000 0.922 173 T CA -0.154 61.589 62.100 -0.594 0.000 1.079 173 T CB 1.454 70.061 68.868 -0.436 0.000 0.892 173 T HN 0.114 8.354 8.240 -0.000 0.000 0.514 174 A N 3.485 125.859 122.820 -0.744 0.000 1.903 174 A HA 0.582 4.901 4.320 -0.002 0.000 0.213 174 A C 1.252 178.716 177.584 -0.200 0.000 1.185 174 A CA 0.751 52.461 52.037 -0.545 0.000 0.628 174 A CB -0.173 18.481 19.000 -0.577 0.000 0.830 174 A HN 0.903 9.053 8.150 -0.000 0.000 0.446 175 G N -1.825 106.741 108.800 -0.390 0.000 2.623 175 G HA2 0.521 4.480 3.960 -0.002 0.000 0.290 175 G HA3 0.521 4.480 3.960 -0.002 0.000 0.290 175 G C -1.519 173.439 174.900 0.097 0.000 1.437 175 G CA -0.626 44.494 45.100 0.034 0.000 0.798 175 G HN 0.134 8.424 8.290 -0.000 0.000 0.488 176 I N 0.746 121.389 120.570 0.122 0.000 2.389 176 I HA 0.420 4.588 4.170 -0.002 0.000 0.288 176 I C -0.544 175.684 176.117 0.185 0.000 0.999 176 I CA -0.620 60.751 61.300 0.118 0.000 1.129 176 I CB 1.905 39.949 38.000 0.073 0.000 1.288 176 I HN 0.189 8.399 8.210 -0.000 0.000 0.444 177 I N 7.480 128.176 120.570 0.210 0.000 2.339 177 I HA 0.533 4.701 4.170 -0.002 0.000 0.290 177 I C -0.462 175.864 176.117 0.348 0.000 0.994 177 I CA -0.437 60.954 61.300 0.151 0.000 1.191 177 I CB 1.756 39.723 38.000 -0.055 0.000 1.343 177 I HN 0.489 8.699 8.210 -0.000 0.000 0.458 178 I N 5.051 125.801 120.570 0.300 0.000 3.006 178 I HA 0.381 4.550 4.170 -0.002 0.000 0.306 178 I C -1.243 175.035 176.117 0.267 0.000 1.250 178 I CA -0.466 61.044 61.300 0.351 0.000 0.996 178 I CB 2.748 40.862 38.000 0.191 0.000 1.261 178 I HN 0.562 8.772 8.210 -0.000 0.000 0.442 179 E N 4.073 124.419 120.200 0.243 0.000 2.151 179 E HA 0.253 4.602 4.350 -0.002 0.000 0.275 179 E C 0.539 177.214 176.600 0.125 0.000 0.936 179 E CA -0.595 55.922 56.400 0.196 0.000 0.777 179 E CB 2.360 32.164 29.700 0.173 0.000 1.108 179 E HN 0.455 8.815 8.360 -0.000 0.000 0.401 180 V N 3.531 123.539 119.914 0.156 0.000 2.392 180 V HA -0.175 3.944 4.120 -0.002 0.000 0.249 180 V C 0.819 176.987 176.094 0.124 0.000 1.059 180 V CA 1.532 63.931 62.300 0.165 0.000 1.051 180 V CB -0.371 31.628 31.823 0.292 0.000 0.658 180 V HN 0.620 8.810 8.190 -0.000 0.000 0.455 181 I N -0.373 120.265 120.570 0.114 0.000 2.534 181 I HA 0.291 4.459 4.170 -0.002 0.000 0.288 181 I C -0.629 175.527 176.117 0.064 0.000 1.077 181 I CA -0.416 60.928 61.300 0.074 0.000 1.051 181 I CB 2.098 40.144 38.000 0.076 0.000 1.234 181 I HN 0.102 8.312 8.210 -0.000 0.000 0.425 182 Q N 4.285 124.107 119.800 0.037 0.000 2.323 182 Q HA 0.247 4.586 4.340 -0.002 0.000 0.257 182 Q C 1.005 177.021 176.000 0.027 0.000 1.022 182 Q CA -0.188 55.638 55.803 0.039 0.000 0.919 182 Q CB 1.829 30.583 28.738 0.027 0.000 1.220 182 Q HN 0.927 9.197 8.270 -0.000 0.000 0.427 183 G N 2.258 111.079 108.800 0.035 0.000 2.547 183 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.214 183 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.214 183 G C 1.123 176.013 174.900 -0.017 0.000 1.254 183 G CA 0.177 45.285 45.100 0.012 0.000 0.817 183 G HN 0.619 8.909 8.290 -0.000 0.000 0.551 184 E N 1.299 121.480 120.200 -0.031 0.000 2.171 184 E HA -0.112 4.236 4.350 -0.002 0.000 0.197 184 E C 2.499 179.075 176.600 -0.040 0.000 0.997 184 E CA 1.281 57.627 56.400 -0.091 0.000 0.810 184 E CB -0.725 28.834 29.700 -0.235 0.000 0.738 184 E HN 0.310 8.670 8.360 -0.000 0.000 0.467 185 G N -0.609 108.192 108.800 0.002 0.000 2.776 185 G HA2 0.065 4.024 3.960 -0.002 0.000 0.209 185 G HA3 0.065 4.024 3.960 -0.002 0.000 0.209 185 G C 0.973 175.865 174.900 -0.013 0.000 1.145 185 G CA 0.566 45.672 45.100 0.010 0.000 0.791 185 G HN 0.485 8.775 8.290 -0.000 0.000 0.530 186 G N -1.276 107.508 108.800 -0.026 0.000 2.147 186 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.128 186 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.128 186 G C 0.483 175.362 174.900 -0.036 0.000 1.026 186 G CA -0.091 44.987 45.100 -0.038 0.000 0.693 186 G HN 1.244 9.534 8.290 -0.000 0.000 0.499 187 V N -0.285 119.614 119.914 -0.026 0.000 5.961 187 V HA -0.230 3.889 4.120 -0.002 0.000 0.311 187 V C 0.318 176.403 176.094 -0.015 0.000 0.552 187 V CA 0.974 63.264 62.300 -0.016 0.000 0.641 187 V CB -2.036 29.773 31.823 -0.024 0.000 0.286 187 V HN 0.781 8.971 8.190 -0.000 0.000 0.939 188 N N 2.471 121.162 118.700 -0.015 0.000 2.422 188 N HA 0.358 5.097 4.740 -0.002 0.000 0.264 188 N C 0.087 175.582 175.510 -0.025 0.000 1.063 188 N CA -0.114 52.920 53.050 -0.028 0.000 0.959 188 N CB 1.116 39.581 38.487 -0.037 0.000 1.087 188 N HN 0.707 9.087 8.380 -0.000 0.000 0.483 189 E N 0.829 121.013 120.200 -0.027 0.000 2.167 189 E HA 0.398 4.746 4.350 -0.002 0.000 0.284 189 E C -0.288 176.280 176.600 -0.053 0.000 1.016 189 E CA -0.699 55.693 56.400 -0.012 0.000 0.817 189 E CB 1.130 30.837 29.700 0.011 0.000 1.080 189 E HN 0.538 8.898 8.360 -0.000 0.000 0.397 190 A N 3.002 125.789 122.820 -0.056 0.000 2.409 190 A HA 0.241 4.560 4.320 -0.002 0.000 0.262 190 A C 0.484 177.997 177.584 -0.118 0.000 1.113 190 A CA -0.541 51.445 52.037 -0.085 0.000 0.790 190 A CB 0.286 19.276 19.000 -0.016 0.000 1.046 190 A HN 0.655 8.805 8.150 -0.000 0.000 0.496 191 S N 1.465 117.117 115.700 -0.080 0.000 2.593 191 S HA 0.111 4.580 4.470 -0.002 0.000 0.269 191 S C 0.937 175.400 174.600 -0.228 0.000 1.334 191 S CA 0.358 58.504 58.200 -0.089 0.000 1.015 191 S CB 0.937 64.128 63.200 -0.016 0.000 0.912 191 S HN 0.824 9.134 8.310 -0.000 0.000 0.541 192 E N 0.647 120.722 120.200 -0.208 0.000 2.077 192 E HA -0.257 4.092 4.350 -0.002 0.000 0.193 192 E C 1.389 177.921 176.600 -0.114 0.000 0.989 192 E CA 1.704 57.960 56.400 -0.240 0.000 0.800 192 E CB -0.292 29.495 29.700 0.145 0.000 0.746 192 E HN 0.891 9.251 8.360 -0.000 0.000 0.452 193 D N -0.438 119.950 120.400 -0.020 0.000 2.084 193 D HA -0.213 4.426 4.640 -0.002 0.000 0.194 193 D C 1.807 178.121 176.300 0.023 0.000 0.990 193 D CA 1.275 55.285 54.000 0.017 0.000 0.826 193 D CB -0.357 40.472 40.800 0.049 0.000 0.971 193 D HN 0.239 8.609 8.370 -0.000 0.000 0.453 194 F N 0.763 120.647 119.950 -0.110 0.000 2.102 194 F HA -0.063 4.463 4.527 -0.002 0.000 0.298 194 F C 1.990 177.707 175.800 -0.139 0.000 1.105 194 F CA 1.309 59.246 58.000 -0.106 0.000 1.239 194 F CB -0.421 38.502 39.000 -0.128 0.000 0.991 194 F HN 0.019 8.319 8.300 -0.000 0.000 0.474 195 L N -0.806 120.240 121.223 -0.294 0.000 2.083 195 L HA -0.217 4.122 4.340 -0.002 0.000 0.209 195 L C 2.765 179.455 176.870 -0.300 0.000 1.083 195 L CA 1.513 56.114 54.840 -0.398 0.000 0.752 195 L CB -1.039 40.759 42.059 -0.435 0.000 0.899 195 L HN 0.237 8.467 8.230 -0.000 0.000 0.433 196 S N -0.097 115.482 115.700 -0.202 0.000 2.368 196 S HA -0.190 4.279 4.470 -0.002 0.000 0.225 196 S C 2.011 176.528 174.600 -0.139 0.000 1.030 196 S CA 1.365 59.490 58.200 -0.124 0.000 0.999 196 S CB 0.011 63.177 63.200 -0.057 0.000 0.844 196 S HN 0.331 8.641 8.310 -0.000 0.000 0.459 197 K N 0.180 120.485 120.400 -0.158 0.000 2.057 197 K HA -0.017 4.301 4.320 -0.002 0.000 0.206 197 K C 2.051 178.519 176.600 -0.220 0.000 1.050 197 K CA 1.138 57.346 56.287 -0.132 0.000 0.935 197 K CB -0.378 32.079 32.500 -0.071 0.000 0.715 197 K HN 0.254 8.504 8.250 -0.000 0.000 0.439 198 L N 1.923 122.912 121.223 -0.389 0.000 2.042 198 L HA -0.245 4.093 4.340 -0.002 0.000 0.210 198 L C 2.562 179.287 176.870 -0.242 0.000 1.076 198 L CA 1.742 56.346 54.840 -0.393 0.000 0.749 198 L CB -0.475 41.249 42.059 -0.559 0.000 0.893 198 L HN 0.201 8.431 8.230 -0.000 0.000 0.432 199 Q N -1.087 118.584 119.800 -0.215 0.000 2.050 199 Q HA -0.220 4.119 4.340 -0.002 0.000 0.202 199 Q C 2.022 177.943 176.000 -0.130 0.000 0.980 199 Q CA 1.671 57.373 55.803 -0.168 0.000 0.840 199 Q CB -0.038 28.597 28.738 -0.172 0.000 0.898 199 Q HN 0.420 8.690 8.270 -0.000 0.000 0.424 200 E N 0.496 120.628 120.200 -0.112 0.000 2.118 200 E HA -0.179 4.170 4.350 -0.002 0.000 0.195 200 E C 2.032 178.595 176.600 -0.061 0.000 0.992 200 E CA 1.062 57.420 56.400 -0.069 0.000 0.804 200 E CB -0.243 29.433 29.700 -0.040 0.000 0.741 200 E HN 0.523 8.883 8.360 -0.000 0.000 0.458 201 I N 0.407 120.916 120.570 -0.100 0.000 2.179 201 I HA -0.328 3.841 4.170 -0.002 0.000 0.242 201 I C 2.454 178.512 176.117 -0.099 0.000 1.088 201 I CA 0.888 62.113 61.300 -0.125 0.000 1.357 201 I CB -0.305 37.529 38.000 -0.277 0.000 1.051 201 I HN 0.129 8.339 8.210 -0.000 0.000 0.409 202 C N 0.497 119.738 119.300 -0.098 0.000 2.413 202 C HA -0.200 4.259 4.460 -0.002 0.000 0.277 202 C C 2.834 177.816 174.990 -0.014 0.000 1.265 202 C CA 1.094 60.080 59.018 -0.054 0.000 1.752 202 C CB -1.001 26.707 27.740 -0.052 0.000 1.998 202 C HN 0.459 8.689 8.230 -0.000 0.000 0.489 203 K N 0.857 121.242 120.400 -0.026 0.000 2.031 203 K HA -0.155 4.164 4.320 -0.002 0.000 0.205 203 K C 2.044 178.650 176.600 0.010 0.000 1.049 203 K CA 1.581 57.867 56.287 -0.000 0.000 0.939 203 K CB -0.158 32.330 32.500 -0.019 0.000 0.717 203 K HN 0.358 8.608 8.250 -0.000 0.000 0.438 204 E N 1.045 121.243 120.200 -0.003 0.000 2.017 204 E HA -0.138 4.210 4.350 -0.002 0.000 0.193 204 E C 1.275 177.874 176.600 -0.001 0.000 0.997 204 E CA 1.607 58.011 56.400 0.006 0.000 0.804 204 E CB 0.134 29.845 29.700 0.018 0.000 0.757 204 E HN 0.053 8.413 8.360 -0.000 0.000 0.448 205 K N 0.623 121.009 120.400 -0.023 0.000 2.487 205 K HA 0.008 4.327 4.320 -0.002 0.000 0.192 205 K C -0.208 176.351 176.600 -0.069 0.000 1.027 205 K CA 0.699 56.954 56.287 -0.053 0.000 1.054 205 K CB -0.060 32.389 32.500 -0.086 0.000 0.824 205 K HN 0.180 8.430 8.250 -0.000 0.000 0.510 206 D N 0.270 120.665 120.400 -0.008 0.000 2.718 206 D HA -0.137 4.502 4.640 -0.002 0.000 0.242 206 D C -1.347 174.972 176.300 0.032 0.000 1.123 206 D CA 0.346 54.383 54.000 0.062 0.000 0.690 206 D CB -0.942 39.870 40.800 0.020 0.000 1.059 206 D HN -0.130 8.240 8.370 -0.000 0.000 0.429 207 V N 0.975 120.930 119.914 0.067 0.000 2.735 207 V HA 0.477 4.595 4.120 -0.002 0.000 0.310 207 V C 0.813 177.019 176.094 0.187 0.000 1.061 207 V CA -1.005 61.340 62.300 0.075 0.000 0.913 207 V CB 2.060 33.833 31.823 -0.084 0.000 1.005 207 V HN 0.144 8.334 8.190 -0.000 0.000 0.428 208 L N 3.984 125.374 121.223 0.278 0.000 2.397 208 L HA 0.345 4.684 4.340 -0.002 0.000 0.271 208 L C -0.361 176.557 176.870 0.079 0.000 1.148 208 L CA -0.321 54.606 54.840 0.146 0.000 0.825 208 L CB 0.786 42.907 42.059 0.103 0.000 1.117 208 L HN 0.439 8.668 8.230 -0.000 0.000 0.456 209 L N 5.362 126.601 121.223 0.026 0.000 2.255 209 L HA 0.469 4.808 4.340 -0.002 0.000 0.289 209 L C -0.459 176.422 176.870 0.018 0.000 1.046 209 L CA 0.241 55.087 54.840 0.009 0.000 0.816 209 L CB 0.626 42.653 42.059 -0.053 0.000 1.197 209 L HN 0.338 8.568 8.230 -0.000 0.000 0.427 210 I N 6.702 127.302 120.570 0.050 0.000 2.355 210 I HA 0.370 4.538 4.170 -0.002 0.000 0.288 210 I C -0.448 175.700 176.117 0.050 0.000 0.999 210 I CA -0.324 60.999 61.300 0.037 0.000 1.163 210 I CB 1.258 39.279 38.000 0.035 0.000 1.316 210 I HN 0.481 8.691 8.210 -0.000 0.000 0.454 211 I N 5.181 125.782 120.570 0.052 0.000 2.339 211 I HA 0.192 4.361 4.170 -0.002 0.000 0.290 211 I C -0.214 175.972 176.117 0.115 0.000 0.994 211 I CA -0.492 60.868 61.300 0.099 0.000 1.191 211 I CB 1.454 39.523 38.000 0.116 0.000 1.343 211 I HN 0.496 8.706 8.210 -0.000 0.000 0.458 212 D N 7.196 127.688 120.400 0.154 0.000 2.365 212 D HA 0.082 4.720 4.640 -0.002 0.000 0.237 212 D C 0.213 176.627 176.300 0.190 0.000 1.190 212 D CA 0.158 54.264 54.000 0.178 0.000 0.867 212 D CB 0.820 41.804 40.800 0.307 0.000 1.050 212 D HN 0.467 8.837 8.370 -0.000 0.000 0.491 213 E N 3.053 123.353 120.200 0.167 0.000 2.496 213 E HA 0.055 4.404 4.350 -0.002 0.000 0.202 213 E C 1.490 178.174 176.600 0.141 0.000 1.021 213 E CA -0.136 56.369 56.400 0.174 0.000 1.015 213 E CB 1.013 30.842 29.700 0.215 0.000 1.102 213 E HN 0.332 8.692 8.360 -0.000 0.000 0.452 214 V N 0.755 120.751 119.914 0.136 0.000 2.407 214 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 214 V C 2.338 178.489 176.094 0.096 0.000 1.055 214 V CA 2.043 64.412 62.300 0.116 0.000 1.049 214 V CB -0.122 31.777 31.823 0.127 0.000 0.662 214 V HN 0.241 8.431 8.190 -0.000 0.000 0.455 215 Q N -0.135 119.727 119.800 0.102 0.000 2.324 215 Q HA -0.069 4.270 4.340 -0.002 0.000 0.207 215 Q C 2.176 178.214 176.000 0.063 0.000 0.928 215 Q CA 1.532 57.380 55.803 0.075 0.000 0.890 215 Q CB -0.053 28.733 28.738 0.079 0.000 1.001 215 Q HN 0.731 9.001 8.270 -0.000 0.000 0.517 216 T N -2.823 111.785 114.554 0.089 0.000 3.067 216 T HA 0.256 4.605 4.350 -0.002 0.000 0.261 216 T C 1.010 175.746 174.700 0.061 0.000 1.110 216 T CA 0.172 62.325 62.100 0.087 0.000 1.113 216 T CB -0.225 68.724 68.868 0.136 0.000 0.917 216 T HN 0.230 8.470 8.240 -0.000 0.000 0.499 217 G N 1.975 110.814 108.800 0.065 0.000 2.606 217 G HA2 0.440 4.399 3.960 -0.002 0.000 0.252 217 G HA3 0.440 4.399 3.960 -0.002 0.000 0.252 217 G C 0.190 174.987 174.900 -0.172 0.000 1.206 217 G CA -0.628 44.485 45.100 0.023 0.000 0.861 217 G HN 0.499 8.789 8.290 -0.000 0.000 0.561 218 I N -0.354 119.934 120.570 -0.471 0.000 6.835 218 I HA -0.261 3.908 4.170 -0.002 0.000 0.126 218 I C 1.613 177.407 176.117 -0.538 0.000 1.824 218 I CA 1.279 62.102 61.300 -0.795 0.000 2.065 218 I CB -2.218 35.519 38.000 -0.438 0.000 3.539 218 I HN 1.884 10.094 8.210 -0.000 0.000 0.178 219 G N 1.468 109.965 108.800 -0.506 0.000 2.212 219 G HA2 -0.456 3.503 3.960 -0.002 0.000 0.266 219 G HA3 -0.456 3.503 3.960 -0.002 0.000 0.266 219 G C 1.129 175.954 174.900 -0.125 0.000 0.978 219 G CA 0.999 45.948 45.100 -0.252 0.000 0.632 219 G HN 0.655 8.945 8.290 -0.000 0.000 0.537 220 R N 1.387 121.821 120.500 -0.109 0.000 2.133 220 R HA -0.101 4.238 4.340 -0.002 0.000 0.247 220 R C 2.647 178.956 176.300 0.015 0.000 1.151 220 R CA 3.094 59.170 56.100 -0.040 0.000 0.971 220 R CB -0.992 29.293 30.300 -0.025 0.000 0.866 220 R HN 0.837 9.107 8.270 -0.000 0.000 0.447 221 T N -4.520 110.061 114.554 0.046 0.000 3.086 221 T HA 0.348 4.697 4.350 -0.002 0.000 0.250 221 T C 1.157 175.975 174.700 0.197 0.000 1.074 221 T CA 0.303 62.475 62.100 0.121 0.000 0.988 221 T CB 0.561 69.536 68.868 0.178 0.000 0.988 221 T HN 0.419 8.659 8.240 -0.000 0.000 0.530 222 G N 0.346 109.201 108.800 0.092 0.000 2.192 222 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.193 222 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.193 222 G C -0.319 174.543 174.900 -0.064 0.000 0.999 222 G CA -0.211 44.927 45.100 0.063 0.000 0.659 222 G HN 0.557 8.847 8.290 -0.000 0.000 0.503 223 E N -1.320 118.793 120.200 -0.145 0.000 2.393 223 E HA 0.596 4.945 4.350 -0.002 0.000 0.273 223 E C 0.308 176.789 176.600 -0.199 0.000 0.918 223 E CA -1.037 55.214 56.400 -0.249 0.000 0.773 223 E CB 1.272 30.660 29.700 -0.520 0.000 1.275 223 E HN -0.023 8.337 8.360 -0.000 0.000 0.451 224 F N 1.093 120.810 119.950 -0.388 0.000 2.095 224 F HA -0.156 4.370 4.527 -0.002 0.000 0.298 224 F C 0.188 175.654 175.800 -0.557 0.000 1.104 224 F CA 1.598 59.229 58.000 -0.616 0.000 1.232 224 F CB 0.212 38.511 39.000 -1.169 0.000 0.987 224 F HN 0.332 8.632 8.300 -0.000 0.000 0.475 225 Y N -1.141 119.067 120.300 -0.154 0.000 2.364 225 Y HA 0.526 5.074 4.550 -0.002 0.000 0.340 225 Y C 0.931 176.700 175.900 -0.219 0.000 0.975 225 Y CA -1.381 56.611 58.100 -0.180 0.000 1.089 225 Y CB 1.099 39.436 38.460 -0.205 0.000 1.192 225 Y HN -0.010 8.270 8.280 -0.000 0.000 0.454 226 A N 2.815 125.718 122.820 0.139 0.000 2.024 226 A HA -0.250 4.069 4.320 -0.002 0.000 0.220 226 A C 1.729 179.469 177.584 0.260 0.000 1.164 226 A CA 1.932 54.101 52.037 0.219 0.000 0.643 226 A CB -1.177 17.985 19.000 0.269 0.000 0.806 226 A HN 0.919 9.069 8.150 -0.000 0.000 0.451 227 Y N -0.154 120.316 120.300 0.284 0.000 2.403 227 Y HA -0.086 4.463 4.550 -0.002 0.000 0.291 227 Y C 1.827 177.846 175.900 0.198 0.000 1.143 227 Y CA 1.262 59.525 58.100 0.272 0.000 1.257 227 Y CB -0.904 37.670 38.460 0.190 0.000 0.984 227 Y HN 0.420 8.700 8.280 -0.000 0.000 0.550 228 Q N -0.271 119.348 119.800 -0.302 0.000 2.437 228 Q HA -0.146 4.193 4.340 -0.002 0.000 0.210 228 Q C 1.529 177.409 176.000 -0.199 0.000 0.972 228 Q CA 0.922 56.581 55.803 -0.239 0.000 0.903 228 Q CB -0.312 28.230 28.738 -0.328 0.000 0.967 228 Q HN 0.697 8.967 8.270 -0.000 0.000 0.486 229 H N -1.050 117.847 119.070 -0.288 0.000 2.457 229 H HA -0.069 4.486 4.556 -0.002 0.000 0.294 229 H C 0.499 175.401 175.328 -0.709 0.000 1.064 229 H CA 1.005 56.693 56.048 -0.599 0.000 1.330 229 H CB 0.290 29.448 29.762 -1.007 0.000 1.395 229 H HN 0.275 8.555 8.280 -0.000 0.000 0.541 230 F N -0.457 119.594 119.950 0.168 0.000 2.735 230 F HA 0.199 4.724 4.527 -0.002 0.000 0.304 230 F C 0.947 176.788 175.800 0.068 0.000 1.119 230 F CA -0.429 57.633 58.000 0.103 0.000 1.280 230 F CB -0.308 38.746 39.000 0.090 0.000 0.994 230 F HN -0.003 8.297 8.300 -0.000 0.000 0.520 231 N N 1.659 120.460 118.700 0.167 0.000 2.710 231 N HA -0.218 4.520 4.740 -0.002 0.000 0.249 231 N C -0.273 175.281 175.510 0.073 0.000 1.059 231 N CA -0.187 52.934 53.050 0.117 0.000 0.720 231 N CB -0.528 37.998 38.487 0.065 0.000 0.983 231 N HN 0.338 8.718 8.380 -0.000 0.000 0.544 232 L N 0.316 121.636 121.223 0.161 0.000 2.476 232 L HA 0.119 4.458 4.340 -0.002 0.000 0.264 232 L C 0.913 177.494 176.870 -0.483 0.000 1.224 232 L CA 0.499 55.298 54.840 -0.068 0.000 0.821 232 L CB 0.421 42.503 42.059 0.039 0.000 1.101 232 L HN 0.112 8.342 8.230 -0.000 0.000 0.488 233 K N 2.120 122.033 120.400 -0.813 0.000 2.877 233 K HA 0.280 4.599 4.320 -0.002 0.000 0.176 233 K C -2.440 173.484 176.600 -1.127 0.000 1.075 233 K CA -1.451 53.795 56.287 -1.735 0.000 0.939 233 K CB 0.760 32.185 32.500 -1.791 0.000 1.237 233 K HN 0.301 8.551 8.250 -0.000 0.000 0.607 234 P HA -0.023 4.397 4.420 -0.000 0.000 0.268 234 P C -0.315 177.092 177.300 0.177 0.000 1.205 234 P CA 0.149 63.110 63.100 -0.232 0.000 0.771 234 P CB 1.131 32.679 31.700 -0.254 0.000 0.858 235 D N 0.587 121.056 120.400 0.114 0.000 2.162 235 D HA 0.031 4.670 4.640 -0.002 0.000 0.203 235 D C 0.472 176.839 176.300 0.112 0.000 0.967 235 D CA 1.304 55.384 54.000 0.134 0.000 0.840 235 D CB 0.412 41.194 40.800 -0.030 0.000 0.972 235 D HN 0.161 8.531 8.370 -0.000 0.000 0.482 236 V N 1.252 121.207 119.914 0.067 0.000 2.932 236 V HA 0.393 4.512 4.120 -0.002 0.000 0.307 236 V C -0.430 175.671 176.094 0.012 0.000 1.147 236 V CA -1.027 61.267 62.300 -0.009 0.000 0.951 236 V CB 2.861 34.624 31.823 -0.099 0.000 1.031 236 V HN 0.019 8.209 8.190 -0.000 0.000 0.426 237 I N 0.749 121.297 120.570 -0.036 0.000 2.730 237 I HA 1.037 5.206 4.170 -0.002 0.000 0.298 237 I C -0.320 175.779 176.117 -0.030 0.000 1.089 237 I CA -0.867 60.431 61.300 -0.003 0.000 1.041 237 I CB 2.319 40.335 38.000 0.028 0.000 1.235 237 I HN 0.688 8.898 8.210 -0.000 0.000 0.423 238 A N 6.295 129.129 122.820 0.024 0.000 2.337 238 A HA 0.935 5.254 4.320 -0.002 0.000 0.329 238 A C -0.894 176.736 177.584 0.075 0.000 1.146 238 A CA -0.634 51.427 52.037 0.041 0.000 0.800 238 A CB 1.204 20.237 19.000 0.054 0.000 1.220 238 A HN 0.762 8.912 8.150 -0.000 0.000 0.472 239 L N 0.746 122.018 121.223 0.082 0.000 2.393 239 L HA 0.884 5.223 4.340 -0.002 0.000 0.260 239 L C 0.301 177.237 176.870 0.109 0.000 1.002 239 L CA -0.250 54.654 54.840 0.106 0.000 0.818 239 L CB 2.212 44.348 42.059 0.128 0.000 1.369 239 L HN 1.077 9.307 8.230 -0.000 0.000 0.412 240 A N 0.694 123.574 122.820 0.100 0.000 5.813 240 A HA 0.433 4.752 4.320 -0.002 0.000 0.186 240 A C -0.095 177.528 177.584 0.065 0.000 0.898 240 A CA -0.011 52.083 52.037 0.095 0.000 0.822 240 A CB 0.173 19.233 19.000 0.100 0.000 2.156 240 A HN 0.604 8.754 8.150 -0.000 0.000 1.053 241 K N -1.647 118.787 120.400 0.057 0.000 2.026 241 K HA -0.340 3.979 4.320 -0.002 0.000 0.145 241 K C 1.477 178.079 176.600 0.004 0.000 0.872 241 K CA 2.217 58.522 56.287 0.030 0.000 0.349 241 K CB -1.607 30.911 32.500 0.030 0.000 0.715 241 K HN 1.550 9.800 8.250 -0.000 0.000 0.815 242 G N 1.081 109.870 108.800 -0.018 0.000 2.516 242 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.221 242 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.221 242 G C 1.289 176.160 174.900 -0.049 0.000 1.107 242 G CA 1.133 46.201 45.100 -0.053 0.000 0.747 242 G HN 0.313 8.603 8.290 -0.000 0.000 0.567 243 L N 1.154 122.369 121.223 -0.012 0.000 2.127 243 L HA 0.127 4.466 4.340 -0.002 0.000 0.211 243 L C 2.405 179.292 176.870 0.028 0.000 1.089 243 L CA 2.161 57.013 54.840 0.020 0.000 0.757 243 L CB -0.484 41.624 42.059 0.081 0.000 0.899 243 L HN 0.100 8.330 8.230 -0.000 0.000 0.434 244 G N -2.312 106.499 108.800 0.017 0.000 3.126 244 G HA2 0.284 4.243 3.960 -0.002 0.000 0.224 244 G HA3 0.284 4.243 3.960 -0.002 0.000 0.224 244 G C 1.135 176.024 174.900 -0.018 0.000 1.142 244 G CA 0.218 45.323 45.100 0.008 0.000 0.759 244 G HN 0.734 9.024 8.290 -0.000 0.000 0.550 245 G N -0.549 108.225 108.800 -0.044 0.000 2.244 245 G HA2 0.117 4.076 3.960 -0.002 0.000 0.274 245 G HA3 0.117 4.076 3.960 -0.002 0.000 0.274 245 G C 1.175 176.035 174.900 -0.067 0.000 1.002 245 G CA 1.415 46.469 45.100 -0.077 0.000 0.740 245 G HN 1.806 10.096 8.290 -0.000 0.000 0.516 246 G N -3.290 105.484 108.800 -0.042 0.000 2.624 246 G HA2 0.091 4.050 3.960 -0.002 0.000 0.190 246 G HA3 0.091 4.050 3.960 -0.002 0.000 0.190 246 G C 0.219 175.112 174.900 -0.013 0.000 1.008 246 G CA 0.219 45.303 45.100 -0.026 0.000 0.731 246 G HN 1.389 9.679 8.290 -0.000 0.000 0.478 247 V N 2.864 122.770 119.914 -0.015 0.000 2.546 247 V HA 0.484 4.603 4.120 -0.002 0.000 0.284 247 V C -1.807 174.282 176.094 -0.010 0.000 1.050 247 V CA -1.389 60.900 62.300 -0.019 0.000 0.981 247 V CB 1.367 33.175 31.823 -0.025 0.000 0.990 247 V HN 0.130 8.320 8.190 -0.000 0.000 0.474 248 P HA 0.385 4.805 4.420 -0.000 0.000 0.267 248 P C -0.549 176.767 177.300 0.026 0.000 1.209 248 P CA 0.414 63.517 63.100 0.005 0.000 0.763 248 P CB 0.458 32.149 31.700 -0.015 0.000 0.816 249 I N 1.679 122.285 120.570 0.060 0.000 2.882 249 I HA 0.710 4.879 4.170 -0.002 0.000 0.298 249 I C -1.081 175.116 176.117 0.134 0.000 1.462 249 I CA -0.437 60.923 61.300 0.099 0.000 1.000 249 I CB 2.070 40.125 38.000 0.092 0.000 1.340 249 I HN 0.538 8.748 8.210 -0.000 0.000 0.462 250 G N 3.610 112.520 108.800 0.184 0.000 2.684 250 G HA2 0.939 4.898 3.960 -0.002 0.000 0.290 250 G HA3 0.939 4.898 3.960 -0.002 0.000 0.290 250 G C -2.046 172.973 174.900 0.197 0.000 1.425 250 G CA -0.145 45.059 45.100 0.174 0.000 0.822 250 G HN 1.162 9.452 8.290 -0.000 0.000 0.482 251 A N -0.528 122.368 122.820 0.126 0.000 2.583 251 A HA 0.713 5.032 4.320 -0.002 0.000 0.292 251 A C -1.127 176.464 177.584 0.011 0.000 1.045 251 A CA -0.285 51.757 52.037 0.007 0.000 0.672 251 A CB 0.751 19.652 19.000 -0.164 0.000 1.283 251 A HN 1.959 10.109 8.150 -0.000 0.000 0.419 252 I N -0.836 119.728 120.570 -0.011 0.000 2.646 252 I HA 0.867 5.036 4.170 -0.002 0.000 0.299 252 I C -1.049 174.963 176.117 -0.174 0.000 1.036 252 I CA -1.020 60.247 61.300 -0.055 0.000 1.074 252 I CB 2.017 39.999 38.000 -0.031 0.000 1.258 252 I HN 0.690 8.900 8.210 -0.000 0.000 0.430 253 L N 5.333 126.398 121.223 -0.263 0.000 2.372 253 L HA 0.886 5.224 4.340 -0.002 0.000 0.274 253 L C -0.765 175.809 176.870 -0.493 0.000 0.988 253 L CA -0.285 54.292 54.840 -0.438 0.000 0.833 253 L CB 1.457 43.153 42.059 -0.606 0.000 1.236 253 L HN 0.990 9.220 8.230 -0.000 0.000 0.410 254 A N 5.076 127.658 122.820 -0.397 0.000 2.380 254 A HA 0.716 5.035 4.320 -0.002 0.000 0.315 254 A C -0.673 176.795 177.584 -0.193 0.000 1.101 254 A CA -0.880 50.998 52.037 -0.265 0.000 0.771 254 A CB 1.393 20.239 19.000 -0.256 0.000 1.287 254 A HN 0.869 9.019 8.150 -0.000 0.000 0.436 255 R N 0.955 121.442 120.500 -0.021 0.000 2.643 255 R HA 0.143 4.482 4.340 -0.002 0.000 0.270 255 R C 0.568 176.811 176.300 -0.095 0.000 1.061 255 R CA 0.307 56.392 56.100 -0.026 0.000 1.107 255 R CB 0.401 30.682 30.300 -0.032 0.000 0.999 255 R HN 0.773 9.043 8.270 -0.000 0.000 0.460 256 E N 1.359 121.503 120.200 -0.094 0.000 2.119 256 E HA -0.345 4.003 4.350 -0.002 0.000 0.221 256 E C 1.548 178.119 176.600 -0.048 0.000 1.062 256 E CA 2.373 58.730 56.400 -0.071 0.000 0.894 256 E CB -0.159 29.503 29.700 -0.064 0.000 0.785 256 E HN 0.786 9.146 8.360 -0.000 0.000 0.472 257 E N -0.363 119.817 120.200 -0.034 0.000 2.118 257 E HA -0.152 4.197 4.350 -0.002 0.000 0.195 257 E C 2.086 178.712 176.600 0.043 0.000 0.992 257 E CA 1.443 57.852 56.400 0.015 0.000 0.804 257 E CB -0.006 29.716 29.700 0.038 0.000 0.741 257 E HN 0.274 8.634 8.360 -0.000 0.000 0.458 258 V N 0.888 120.744 119.914 -0.095 0.000 2.346 258 V HA -0.145 3.973 4.120 -0.002 0.000 0.244 258 V C 2.546 178.563 176.094 -0.127 0.000 1.037 258 V CA 1.424 63.575 62.300 -0.248 0.000 1.029 258 V CB -0.777 30.740 31.823 -0.510 0.000 0.663 258 V HN 0.305 8.495 8.190 -0.000 0.000 0.454 259 A N -0.684 122.056 122.820 -0.133 0.000 1.986 259 A HA -0.339 3.980 4.320 -0.002 0.000 0.220 259 A C 2.134 179.712 177.584 -0.011 0.000 1.171 259 A CA 2.088 54.057 52.037 -0.113 0.000 0.640 259 A CB -0.570 18.371 19.000 -0.098 0.000 0.811 259 A HN 0.638 8.788 8.150 -0.000 0.000 0.451 260 Q N -0.403 119.405 119.800 0.014 0.000 2.197 260 Q HA -0.151 4.187 4.340 -0.002 0.000 0.207 260 Q C 2.208 178.256 176.000 0.079 0.000 0.984 260 Q CA 1.657 57.488 55.803 0.045 0.000 0.869 260 Q CB -0.210 28.548 28.738 0.033 0.000 0.906 260 Q HN 0.671 8.941 8.270 -0.000 0.000 0.426 261 S N -0.043 115.715 115.700 0.098 0.000 2.474 261 S HA -0.058 4.411 4.470 -0.002 0.000 0.235 261 S C 0.162 174.909 174.600 0.245 0.000 0.997 261 S CA 0.317 58.596 58.200 0.131 0.000 0.949 261 S CB -0.017 63.265 63.200 0.136 0.000 0.766 261 S HN 0.200 8.510 8.310 -0.000 0.000 0.517 262 F N 3.971 123.911 119.950 -0.017 0.000 2.567 262 F HA 0.217 4.743 4.527 -0.002 0.000 0.352 262 F C 1.221 177.017 175.800 -0.005 0.000 1.229 262 F CA -1.269 56.715 58.000 -0.027 0.000 1.228 262 F CB -1.023 37.949 39.000 -0.046 0.000 1.568 262 F HN -0.002 8.298 8.300 -0.000 0.000 0.634 263 T N 1.202 115.809 114.554 0.087 0.000 2.847 263 T HA 0.436 4.785 4.350 -0.002 0.000 0.279 263 T C -2.598 172.087 174.700 -0.025 0.000 0.984 263 T CA -2.391 59.727 62.100 0.030 0.000 0.988 263 T CB 0.970 69.850 68.868 0.020 0.000 1.040 263 T HN 0.082 8.322 8.240 -0.000 0.000 0.528 264 P HA 0.225 4.645 4.420 -0.000 0.000 0.258 264 P C 1.109 178.377 177.300 -0.053 0.000 1.172 264 P CA 1.372 64.454 63.100 -0.032 0.000 0.762 264 P CB -0.137 31.551 31.700 -0.019 0.000 0.764 265 G N 2.865 111.620 108.800 -0.074 0.000 2.179 265 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.260 265 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.260 265 G C 1.250 176.085 174.900 -0.109 0.000 0.977 265 G CA 0.591 45.642 45.100 -0.081 0.000 0.641 265 G HN 0.589 8.879 8.290 -0.000 0.000 0.533 266 S N -1.236 114.371 115.700 -0.156 0.000 2.436 266 S HA 0.343 4.812 4.470 -0.002 0.000 0.228 266 S C 0.696 175.130 174.600 -0.275 0.000 1.014 266 S CA 1.605 59.687 58.200 -0.197 0.000 0.950 266 S CB 0.192 63.264 63.200 -0.213 0.000 0.784 266 S HN 1.501 9.811 8.310 -0.000 0.000 0.504 267 H N -1.278 117.473 119.070 -0.531 0.000 2.967 267 H HA 0.618 5.173 4.556 -0.002 0.000 0.318 267 H C -0.390 174.737 175.328 -0.335 0.000 1.375 267 H CA 0.148 55.855 56.048 -0.569 0.000 1.132 267 H CB 1.201 30.256 29.762 -1.179 0.000 1.848 267 H HN 0.424 8.704 8.280 -0.000 0.000 0.524 268 G N 0.007 108.353 108.800 -0.757 0.000 2.349 268 G HA2 0.488 4.447 3.960 -0.002 0.000 0.294 268 G HA3 0.488 4.447 3.960 -0.002 0.000 0.294 268 G C -1.702 173.114 174.900 -0.140 0.000 1.380 268 G CA -0.035 44.937 45.100 -0.213 0.000 0.811 268 G HN 0.761 9.051 8.290 -0.000 0.000 0.519 269 S N -1.766 113.965 115.700 0.051 0.000 2.543 269 S HA 0.609 5.078 4.470 -0.002 0.000 0.273 269 S C 0.934 175.541 174.600 0.012 0.000 1.152 269 S CA 0.514 58.741 58.200 0.045 0.000 0.910 269 S CB 1.569 64.856 63.200 0.145 0.000 1.105 269 S HN 0.769 9.079 8.310 -0.000 0.000 0.465 270 T N 3.562 118.068 114.554 -0.081 0.000 2.668 270 T HA 0.029 4.378 4.350 -0.002 0.000 0.262 270 T C 1.078 175.795 174.700 0.029 0.000 1.045 270 T CA 1.627 63.645 62.100 -0.136 0.000 1.152 270 T CB -0.406 68.194 68.868 -0.446 0.000 0.864 270 T HN 0.623 8.863 8.240 -0.000 0.000 0.419 271 F N 1.614 121.633 119.950 0.116 0.000 2.615 271 F HA 0.310 4.835 4.527 -0.002 0.000 0.297 271 F C 1.899 177.775 175.800 0.126 0.000 1.124 271 F CA -1.062 57.012 58.000 0.123 0.000 1.451 271 F CB -1.157 37.863 39.000 0.033 0.000 1.103 271 F HN 0.088 8.388 8.300 -0.000 0.000 0.569 272 G N -0.055 108.891 108.800 0.243 0.000 2.178 272 G HA2 0.302 4.261 3.960 -0.002 0.000 0.244 272 G HA3 0.302 4.261 3.960 -0.002 0.000 0.244 272 G C 1.180 176.151 174.900 0.118 0.000 1.213 272 G CA 0.219 45.396 45.100 0.129 0.000 0.912 272 G HN 0.767 9.057 8.290 -0.000 0.000 0.474 273 G N 1.737 110.582 108.800 0.076 0.000 2.198 273 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.260 273 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.260 273 G C 0.462 175.446 174.900 0.141 0.000 1.025 273 G CA 0.438 45.511 45.100 -0.045 0.000 0.769 273 G HN 1.491 9.781 8.290 -0.000 0.000 0.507 274 N N -0.094 118.690 118.700 0.141 0.000 2.381 274 N HA 0.411 5.150 4.740 -0.002 0.000 0.241 274 N C -0.539 174.874 175.510 -0.161 0.000 1.279 274 N CA -0.899 52.227 53.050 0.128 0.000 0.896 274 N CB 0.770 39.360 38.487 0.172 0.000 1.118 274 N HN 0.128 8.508 8.380 -0.000 0.000 0.438 275 P HA -0.166 4.254 4.420 -0.000 0.000 0.220 275 P C 1.265 178.277 177.300 -0.481 0.000 1.148 275 P CA 0.696 63.146 63.100 -1.083 0.000 0.803 275 P CB 0.161 30.926 31.700 -1.558 0.000 0.782 276 L N 0.220 121.269 121.223 -0.291 0.000 2.044 276 L HA 0.017 4.356 4.340 -0.002 0.000 0.205 276 L C 2.594 179.386 176.870 -0.129 0.000 1.075 276 L CA 1.921 56.654 54.840 -0.178 0.000 0.747 276 L CB -1.470 40.511 42.059 -0.129 0.000 0.903 276 L HN -0.103 8.127 8.230 -0.000 0.000 0.435 277 A N -1.448 121.304 122.820 -0.114 0.000 1.898 277 A HA -0.221 4.098 4.320 -0.002 0.000 0.216 277 A C 2.364 179.893 177.584 -0.091 0.000 1.181 277 A CA 1.767 53.757 52.037 -0.079 0.000 0.620 277 A CB -1.448 17.518 19.000 -0.056 0.000 0.819 277 A HN 0.606 8.755 8.150 -0.000 0.000 0.442 278 C N -1.309 117.907 119.300 -0.139 0.000 2.435 278 C HA -0.014 4.445 4.460 -0.002 0.000 0.279 278 C C 2.770 177.733 174.990 -0.046 0.000 1.321 278 C CA 1.267 60.212 59.018 -0.122 0.000 1.752 278 C CB -1.232 26.473 27.740 -0.059 0.000 1.959 278 C HN 0.707 8.937 8.230 -0.000 0.000 0.500 279 R N 1.832 122.287 120.500 -0.075 0.000 2.073 279 R HA -0.044 4.295 4.340 -0.002 0.000 0.234 279 R C 2.166 178.457 176.300 -0.015 0.000 1.134 279 R CA 2.100 58.174 56.100 -0.044 0.000 0.952 279 R CB -0.772 29.478 30.300 -0.083 0.000 0.850 279 R HN 0.425 8.695 8.270 -0.000 0.000 0.433 280 A N -0.471 122.334 122.820 -0.025 0.000 1.877 280 A HA -0.012 4.306 4.320 -0.002 0.000 0.216 280 A C 2.394 179.988 177.584 0.017 0.000 1.186 280 A CA 1.662 53.697 52.037 -0.003 0.000 0.620 280 A CB -1.426 17.566 19.000 -0.013 0.000 0.822 280 A HN 0.527 8.677 8.150 -0.000 0.000 0.443 281 G N -1.208 107.605 108.800 0.022 0.000 2.442 281 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.219 281 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.219 281 G C 1.561 176.512 174.900 0.085 0.000 1.141 281 G CA 1.662 46.800 45.100 0.063 0.000 0.763 281 G HN 0.428 8.718 8.290 -0.000 0.000 0.554 282 T N 0.673 115.270 114.554 0.071 0.000 2.746 282 T HA -0.105 4.244 4.350 -0.002 0.000 0.267 282 T C 2.569 177.312 174.700 0.072 0.000 1.039 282 T CA 1.232 63.380 62.100 0.080 0.000 1.142 282 T CB -0.228 68.681 68.868 0.068 0.000 0.866 282 T HN 0.069 8.309 8.240 -0.000 0.000 0.444 283 V N 1.173 121.123 119.914 0.060 0.000 2.295 283 V HA -0.153 3.966 4.120 -0.002 0.000 0.246 283 V C 2.653 178.786 176.094 0.065 0.000 1.049 283 V CA 1.373 63.714 62.300 0.069 0.000 1.024 283 V CB -0.713 31.155 31.823 0.075 0.000 0.648 283 V HN 0.308 8.498 8.190 -0.000 0.000 0.447 284 V N -0.283 119.656 119.914 0.042 0.000 2.255 284 V HA -0.247 3.871 4.120 -0.002 0.000 0.247 284 V C 2.433 178.560 176.094 0.055 0.000 1.051 284 V CA 2.081 64.387 62.300 0.010 0.000 1.018 284 V CB -0.560 31.258 31.823 -0.009 0.000 0.641 284 V HN 0.401 8.591 8.190 -0.000 0.000 0.445 285 V N 0.183 120.167 119.914 0.117 0.000 2.332 285 V HA -0.274 3.844 4.120 -0.002 0.000 0.248 285 V C 2.292 178.483 176.094 0.162 0.000 1.055 285 V CA 2.267 64.698 62.300 0.220 0.000 1.038 285 V CB -0.716 31.264 31.823 0.262 0.000 0.651 285 V HN 0.568 8.758 8.190 -0.000 0.000 0.450 286 D N -0.603 119.856 120.400 0.099 0.000 2.144 286 D HA -0.154 4.485 4.640 -0.002 0.000 0.200 286 D C 2.223 178.567 176.300 0.073 0.000 0.978 286 D CA 1.192 55.233 54.000 0.069 0.000 0.833 286 D CB -0.038 40.795 40.800 0.055 0.000 0.961 286 D HN 0.433 8.803 8.370 -0.000 0.000 0.470 287 E N 0.237 120.482 120.200 0.075 0.000 2.072 287 E HA -0.066 4.283 4.350 -0.002 0.000 0.190 287 E C 2.101 178.729 176.600 0.046 0.000 0.982 287 E CA 0.308 56.748 56.400 0.068 0.000 0.803 287 E CB -0.075 29.652 29.700 0.045 0.000 0.755 287 E HN -0.017 8.343 8.360 -0.000 0.000 0.453 288 V N 0.963 120.902 119.914 0.042 0.000 2.427 288 V HA -0.225 3.894 4.120 -0.002 0.000 0.248 288 V C 2.363 178.505 176.094 0.079 0.000 1.051 288 V CA 2.077 64.397 62.300 0.034 0.000 1.048 288 V CB -0.508 31.318 31.823 0.006 0.000 0.666 288 V HN 0.394 8.584 8.190 -0.000 0.000 0.456 289 E N 0.472 120.746 120.200 0.123 0.000 2.118 289 E HA -0.280 4.069 4.350 -0.002 0.000 0.195 289 E C 2.167 178.791 176.600 0.039 0.000 0.992 289 E CA 1.562 58.020 56.400 0.097 0.000 0.804 289 E CB -0.044 29.701 29.700 0.075 0.000 0.741 289 E HN 0.609 8.969 8.360 -0.000 0.000 0.458 290 K N -0.053 120.371 120.400 0.040 0.000 2.155 290 K HA -0.021 4.298 4.320 -0.002 0.000 0.203 290 K C 2.107 178.709 176.600 0.003 0.000 1.052 290 K CA 0.777 57.080 56.287 0.027 0.000 0.948 290 K CB 0.071 32.612 32.500 0.067 0.000 0.728 290 K HN 0.221 8.471 8.250 -0.000 0.000 0.448 291 L N 0.905 122.152 121.223 0.040 0.000 2.418 291 L HA -0.017 4.322 4.340 -0.002 0.000 0.218 291 L C 1.974 178.808 176.870 -0.059 0.000 1.125 291 L CA 0.185 55.073 54.840 0.079 0.000 0.835 291 L CB -0.275 41.841 42.059 0.096 0.000 0.953 291 L HN 0.143 8.373 8.230 -0.000 0.000 0.454 292 L N 0.422 121.602 121.223 -0.071 0.000 2.021 292 L HA -0.229 4.110 4.340 -0.002 0.000 0.215 292 L C -0.156 176.642 176.870 -0.120 0.000 1.074 292 L CA 1.920 56.717 54.840 -0.072 0.000 0.760 292 L CB -1.682 40.353 42.059 -0.040 0.000 0.889 292 L HN 0.244 8.474 8.230 -0.000 0.000 0.433 293 P HA -0.153 4.267 4.420 -0.000 0.000 0.216 293 P C 1.266 178.459 177.300 -0.179 0.000 1.150 293 P CA 1.349 64.312 63.100 -0.229 0.000 0.837 293 P CB -0.117 31.393 31.700 -0.317 0.000 0.786 294 H N -1.315 117.757 119.070 0.003 0.000 2.363 294 H HA -0.001 4.554 4.556 -0.002 0.000 0.301 294 H C 2.024 177.355 175.328 0.005 0.000 1.074 294 H CA 0.904 56.952 56.048 -0.001 0.000 1.354 294 H CB -1.204 28.554 29.762 -0.007 0.000 1.397 294 H HN -0.032 8.248 8.280 -0.000 0.000 0.516 295 V N 1.542 121.509 119.914 0.089 0.000 2.332 295 V HA -0.249 3.870 4.120 -0.002 0.000 0.248 295 V C 2.595 178.729 176.094 0.066 0.000 1.055 295 V CA 1.688 64.024 62.300 0.060 0.000 1.038 295 V CB -0.390 31.445 31.823 0.020 0.000 0.651 295 V HN 0.331 8.521 8.190 -0.000 0.000 0.450 296 R N -0.210 120.317 120.500 0.045 0.000 2.073 296 R HA -0.197 4.142 4.340 -0.002 0.000 0.234 296 R C 2.394 178.741 176.300 0.078 0.000 1.134 296 R CA 1.704 57.838 56.100 0.056 0.000 0.952 296 R CB -0.325 29.992 30.300 0.029 0.000 0.850 296 R HN 0.494 8.764 8.270 -0.000 0.000 0.433 297 E N 0.750 120.996 120.200 0.076 0.000 2.051 297 E HA -0.124 4.225 4.350 -0.002 0.000 0.192 297 E C 1.855 178.529 176.600 0.122 0.000 0.991 297 E CA 1.343 57.796 56.400 0.089 0.000 0.799 297 E CB -0.130 29.617 29.700 0.079 0.000 0.748 297 E HN 0.046 8.406 8.360 -0.000 0.000 0.449 298 V N 0.297 120.280 119.914 0.116 0.000 2.515 298 V HA -0.104 4.015 4.120 -0.002 0.000 0.250 298 V C 2.262 178.501 176.094 0.242 0.000 1.058 298 V CA 1.708 64.095 62.300 0.145 0.000 1.064 298 V CB -0.943 30.929 31.823 0.081 0.000 0.675 298 V HN 0.465 8.655 8.190 -0.000 0.000 0.461 299 G N 0.380 109.295 108.800 0.193 0.000 2.404 299 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.215 299 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.215 299 G C 1.428 176.445 174.900 0.195 0.000 1.174 299 G CA 0.770 45.997 45.100 0.212 0.000 0.780 299 G HN 0.515 8.805 8.290 -0.000 0.000 0.537 300 N N -0.131 118.664 118.700 0.158 0.000 2.120 300 N HA -0.138 4.601 4.740 -0.002 0.000 0.188 300 N C 1.850 177.456 175.510 0.160 0.000 1.024 300 N CA 1.190 54.314 53.050 0.124 0.000 0.852 300 N CB -0.559 37.992 38.487 0.106 0.000 1.003 300 N HN 0.454 8.834 8.380 -0.000 0.000 0.424 301 Y N 0.941 121.298 120.300 0.095 0.000 2.128 301 Y HA -0.228 4.321 4.550 -0.002 0.000 0.284 301 Y C 2.306 178.308 175.900 0.169 0.000 1.154 301 Y CA 1.381 59.543 58.100 0.102 0.000 1.149 301 Y CB -0.609 37.904 38.460 0.088 0.000 0.976 301 Y HN -0.047 8.233 8.280 -0.000 0.000 0.505 302 F N 1.403 121.399 119.950 0.078 0.000 2.171 302 F HA -0.144 4.382 4.527 -0.002 0.000 0.300 302 F C 2.317 178.062 175.800 -0.090 0.000 1.090 302 F CA 2.016 60.002 58.000 -0.023 0.000 1.293 302 F CB -0.788 38.263 39.000 0.085 0.000 1.013 302 F HN 0.093 8.393 8.300 -0.000 0.000 0.486 303 K N 0.313 120.672 120.400 -0.067 0.000 2.097 303 K HA -0.214 4.104 4.320 -0.002 0.000 0.205 303 K C 2.224 178.736 176.600 -0.146 0.000 1.050 303 K CA 1.509 57.685 56.287 -0.187 0.000 0.938 303 K CB -0.310 32.134 32.500 -0.093 0.000 0.718 303 K HN 0.406 8.656 8.250 -0.000 0.000 0.442 304 E N 0.470 120.607 120.200 -0.105 0.000 2.051 304 E HA -0.207 4.141 4.350 -0.002 0.000 0.192 304 E C 1.607 178.113 176.600 -0.156 0.000 0.991 304 E CA 1.134 57.465 56.400 -0.115 0.000 0.799 304 E CB 0.200 29.838 29.700 -0.103 0.000 0.748 304 E HN 0.087 8.447 8.360 -0.000 0.000 0.449 305 K N 0.477 120.745 120.400 -0.219 0.000 2.147 305 K HA -0.117 4.202 4.320 -0.002 0.000 0.205 305 K C 2.254 178.773 176.600 -0.134 0.000 1.049 305 K CA 0.764 56.933 56.287 -0.198 0.000 0.936 305 K CB -0.366 31.997 32.500 -0.228 0.000 0.722 305 K HN 0.307 8.557 8.250 -0.000 0.000 0.446 306 L N 0.794 121.917 121.223 -0.167 0.000 2.093 306 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 306 L C 2.317 179.114 176.870 -0.120 0.000 1.085 306 L CA 1.259 55.990 54.840 -0.182 0.000 0.755 306 L CB -0.279 41.596 42.059 -0.307 0.000 0.904 306 L HN 0.148 8.378 8.230 -0.000 0.000 0.435 307 K N 0.056 120.390 120.400 -0.111 0.000 2.097 307 K HA -0.172 4.147 4.320 -0.002 0.000 0.205 307 K C 1.873 178.434 176.600 -0.066 0.000 1.050 307 K CA 1.159 57.399 56.287 -0.078 0.000 0.938 307 K CB -0.076 32.383 32.500 -0.069 0.000 0.718 307 K HN 0.340 8.590 8.250 -0.000 0.000 0.442 308 E N 0.865 121.020 120.200 -0.075 0.000 2.265 308 E HA -0.135 4.214 4.350 -0.002 0.000 0.196 308 E C 1.729 178.297 176.600 -0.054 0.000 0.996 308 E CA 0.570 56.933 56.400 -0.062 0.000 0.832 308 E CB -0.048 29.609 29.700 -0.072 0.000 0.756 308 E HN 0.277 8.637 8.360 -0.000 0.000 0.491 309 L N -0.237 120.949 121.223 -0.061 0.000 2.275 309 L HA -0.012 4.326 4.340 -0.002 0.000 0.215 309 L C 1.447 178.290 176.870 -0.045 0.000 1.119 309 L CA 0.474 55.281 54.840 -0.054 0.000 0.790 309 L CB -0.559 41.462 42.059 -0.063 0.000 0.919 309 L HN 0.227 8.457 8.230 -0.000 0.000 0.443 310 G N 0.930 109.704 108.800 -0.043 0.000 2.395 310 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.300 310 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.300 310 G C 0.635 175.514 174.900 -0.034 0.000 0.998 310 G CA 0.370 45.450 45.100 -0.034 0.000 1.046 310 G HN 0.282 8.572 8.290 -0.000 0.000 0.513 311 K N -0.335 120.040 120.400 -0.042 0.000 2.536 311 K HA 0.476 4.794 4.320 -0.002 0.000 0.203 311 K C 0.968 177.542 176.600 -0.044 0.000 1.063 311 K CA 0.508 56.766 56.287 -0.048 0.000 1.063 311 K CB 1.001 33.458 32.500 -0.072 0.000 0.843 311 K HN 1.479 9.729 8.250 -0.000 0.000 0.521 312 G N 0.913 109.693 108.800 -0.034 0.000 2.368 312 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.302 312 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.302 312 G C -1.734 173.151 174.900 -0.026 0.000 1.329 312 G CA -1.067 44.016 45.100 -0.028 0.000 0.935 312 G HN 0.001 8.291 8.290 -0.000 0.000 0.590 313 K N 0.074 120.460 120.400 -0.023 0.000 2.322 313 K HA 0.532 4.851 4.320 -0.002 0.000 0.283 313 K C -0.042 176.542 176.600 -0.025 0.000 1.042 313 K CA -0.474 55.798 56.287 -0.025 0.000 0.958 313 K CB 0.876 33.363 32.500 -0.022 0.000 0.984 313 K HN 0.365 8.615 8.250 -0.000 0.000 0.473 314 V N 5.382 125.276 119.914 -0.033 0.000 2.407 314 V HA 0.262 4.380 4.120 -0.002 0.000 0.278 314 V C -0.277 175.795 176.094 -0.036 0.000 1.037 314 V CA -0.473 61.803 62.300 -0.040 0.000 0.900 314 V CB 1.141 32.922 31.823 -0.070 0.000 0.983 314 V HN 0.799 8.989 8.190 -0.000 0.000 0.459 315 K N 2.833 123.216 120.400 -0.029 0.000 2.340 315 K HA 0.880 5.199 4.320 -0.002 0.000 0.244 315 K C 0.266 176.854 176.600 -0.021 0.000 0.973 315 K CA -0.227 56.046 56.287 -0.025 0.000 0.828 315 K CB 2.163 34.650 32.500 -0.022 0.000 1.226 315 K HN 1.041 9.291 8.250 -0.000 0.000 0.437 316 G N 0.858 109.649 108.800 -0.016 0.000 2.660 316 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.247 316 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.247 316 G C -1.269 173.616 174.900 -0.026 0.000 1.328 316 G CA -0.361 44.733 45.100 -0.010 0.000 0.884 316 G HN 0.892 9.182 8.290 -0.000 0.000 0.531 317 R N -1.135 119.351 120.500 -0.024 0.000 2.716 317 R HA 0.753 5.092 4.340 -0.002 0.000 0.271 317 R C 0.923 177.229 176.300 0.011 0.000 1.028 317 R CA 0.220 56.296 56.100 -0.040 0.000 0.883 317 R CB 0.952 31.167 30.300 -0.141 0.000 1.250 317 R HN 2.734 11.004 8.270 -0.000 0.000 0.465 318 G N 0.857 109.681 108.800 0.040 0.000 2.583 318 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.292 318 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.292 318 G C 0.102 175.064 174.900 0.103 0.000 1.203 318 G CA 0.360 45.508 45.100 0.081 0.000 0.987 318 G HN 0.513 8.803 8.290 -0.000 0.000 0.554 319 L N 0.410 121.693 121.223 0.099 0.000 2.872 319 L HA 0.502 4.841 4.340 -0.002 0.000 0.245 319 L C 0.985 177.933 176.870 0.131 0.000 1.211 319 L CA 0.042 54.966 54.840 0.139 0.000 1.013 319 L CB 0.309 42.416 42.059 0.080 0.000 1.326 319 L HN 0.509 8.739 8.230 -0.000 0.000 0.525 320 M N 1.746 121.405 119.600 0.098 0.000 2.158 320 M HA 0.433 4.912 4.480 -0.002 0.000 0.326 320 M C -1.588 174.757 176.300 0.076 0.000 1.014 320 M CA -0.236 55.115 55.300 0.085 0.000 0.961 320 M CB 0.492 33.126 32.600 0.057 0.000 1.327 320 M HN 0.064 8.354 8.290 -0.000 0.000 0.393 321 L N 2.335 123.631 121.223 0.121 0.000 2.319 321 L HA 1.002 5.341 4.340 -0.002 0.000 0.267 321 L C 0.192 177.137 176.870 0.126 0.000 1.011 321 L CA -1.056 53.833 54.840 0.083 0.000 0.818 321 L CB 2.308 44.340 42.059 -0.045 0.000 1.316 321 L HN 0.665 8.895 8.230 -0.000 0.000 0.432 322 G N 0.900 109.739 108.800 0.065 0.000 2.660 322 G HA2 0.632 4.590 3.960 -0.002 0.000 0.294 322 G HA3 0.632 4.590 3.960 -0.002 0.000 0.294 322 G C -2.213 172.716 174.900 0.047 0.000 1.369 322 G CA -0.412 44.683 45.100 -0.008 0.000 0.912 322 G HN 0.320 8.610 8.290 -0.000 0.000 0.479 323 L N 0.584 121.817 121.223 0.017 0.000 2.388 323 L HA 0.555 4.894 4.340 -0.002 0.000 0.267 323 L C -0.059 176.799 176.870 -0.021 0.000 0.995 323 L CA -0.821 54.050 54.840 0.052 0.000 0.864 323 L CB 1.545 43.713 42.059 0.181 0.000 1.216 323 L HN 0.638 8.868 8.230 -0.000 0.000 0.430 324 E N 4.786 124.972 120.200 -0.024 0.000 2.166 324 E HA 0.321 4.670 4.350 -0.002 0.000 0.279 324 E C -0.986 175.601 176.600 -0.022 0.000 1.095 324 E CA -0.201 56.182 56.400 -0.028 0.000 0.888 324 E CB 0.497 30.182 29.700 -0.025 0.000 1.041 324 E HN 0.683 9.043 8.360 -0.000 0.000 0.414 325 L N 3.819 125.031 121.223 -0.018 0.000 2.416 325 L HA 0.179 4.517 4.340 -0.002 0.000 0.262 325 L C 1.770 178.648 176.870 0.014 0.000 1.093 325 L CA -0.674 54.161 54.840 -0.008 0.000 0.801 325 L CB 1.134 43.197 42.059 0.006 0.000 1.191 325 L HN 0.668 8.898 8.230 -0.000 0.000 0.459 326 E N 1.199 121.413 120.200 0.023 0.000 2.285 326 E HA -0.051 4.297 4.350 -0.002 0.000 0.194 326 E C 0.319 176.945 176.600 0.044 0.000 0.997 326 E CA 0.817 57.233 56.400 0.027 0.000 0.845 326 E CB 0.248 29.962 29.700 0.025 0.000 0.782 326 E HN 0.545 8.905 8.360 -0.000 0.000 0.491 327 R N 0.518 121.068 120.500 0.083 0.000 2.856 327 R HA 0.373 4.712 4.340 -0.002 0.000 0.258 327 R C -0.507 175.855 176.300 0.103 0.000 1.066 327 R CA -1.005 55.150 56.100 0.092 0.000 1.045 327 R CB 0.761 31.141 30.300 0.133 0.000 1.178 327 R HN -0.103 8.167 8.270 -0.000 0.000 0.499 328 E N 0.436 120.672 120.200 0.060 0.000 2.414 328 E HA -0.048 4.301 4.350 -0.002 0.000 0.263 328 E C 0.571 177.232 176.600 0.101 0.000 1.000 328 E CA 0.022 56.450 56.400 0.046 0.000 0.914 328 E CB 0.300 30.002 29.700 0.004 0.000 0.948 328 E HN 0.678 9.038 8.360 -0.000 0.000 0.444 329 c N 2.048 120.721 118.600 0.121 0.000 2.697 329 c HA 0.227 4.796 4.570 -0.002 0.000 0.267 329 c C 1.991 176.161 174.090 0.134 0.000 1.278 329 c CA -0.710 55.760 56.329 0.235 0.000 1.708 329 c CB -0.667 41.936 42.510 0.155 0.000 1.860 329 c HN 0.811 9.041 8.230 -0.000 0.000 0.589 330 K N 1.983 122.405 120.400 0.036 0.000 2.074 330 K HA -0.293 4.026 4.320 -0.002 0.000 0.209 330 K C 1.702 178.291 176.600 -0.019 0.000 1.048 330 K CA 2.492 58.782 56.287 0.005 0.000 0.926 330 K CB -0.356 32.136 32.500 -0.014 0.000 0.713 330 K HN 0.542 8.792 8.250 -0.000 0.000 0.444 331 D N -0.943 119.395 120.400 -0.104 0.000 2.183 331 D HA -0.141 4.497 4.640 -0.002 0.000 0.203 331 D C 1.462 177.681 176.300 -0.134 0.000 0.969 331 D CA 0.976 54.877 54.000 -0.163 0.000 0.842 331 D CB 0.010 40.640 40.800 -0.282 0.000 0.957 331 D HN 0.282 8.652 8.370 -0.000 0.000 0.484 332 Y N -0.191 120.119 120.300 0.015 0.000 2.293 332 Y HA -0.078 4.470 4.550 -0.002 0.000 0.291 332 Y C 2.422 178.343 175.900 0.035 0.000 1.137 332 Y CA 0.424 58.540 58.100 0.026 0.000 1.202 332 Y CB -0.605 37.872 38.460 0.029 0.000 0.990 332 Y HN -0.062 8.218 8.280 -0.000 0.000 0.537 333 V N -0.103 119.910 119.914 0.165 0.000 2.343 333 V HA -0.296 3.823 4.120 -0.002 0.000 0.247 333 V C 2.272 178.422 176.094 0.094 0.000 1.051 333 V CA 1.653 64.021 62.300 0.114 0.000 1.036 333 V CB -0.731 31.133 31.823 0.069 0.000 0.654 333 V HN 0.378 8.569 8.190 -0.000 0.000 0.451 334 L N -0.556 120.705 121.223 0.063 0.000 2.056 334 L HA -0.150 4.189 4.340 -0.002 0.000 0.207 334 L C 2.628 179.539 176.870 0.069 0.000 1.078 334 L CA 1.573 56.443 54.840 0.050 0.000 0.749 334 L CB -0.601 41.468 42.059 0.016 0.000 0.901 334 L HN 0.280 8.510 8.230 -0.000 0.000 0.433 335 K N 0.167 120.612 120.400 0.075 0.000 2.097 335 K HA -0.123 4.195 4.320 -0.002 0.000 0.206 335 K C 2.214 178.877 176.600 0.106 0.000 1.049 335 K CA 1.360 57.699 56.287 0.087 0.000 0.933 335 K CB -0.257 32.306 32.500 0.105 0.000 0.717 335 K HN 0.272 8.522 8.250 -0.000 0.000 0.442 336 A N 1.733 124.630 122.820 0.128 0.000 1.898 336 A HA -0.142 4.177 4.320 -0.002 0.000 0.216 336 A C 2.147 179.815 177.584 0.140 0.000 1.181 336 A CA 0.997 53.108 52.037 0.123 0.000 0.620 336 A CB -0.502 18.579 19.000 0.135 0.000 0.819 336 A HN 0.215 8.365 8.150 -0.000 0.000 0.442 337 L N 0.363 121.676 121.223 0.152 0.000 2.012 337 L HA -0.195 4.143 4.340 -0.002 0.000 0.210 337 L C 2.163 179.176 176.870 0.237 0.000 1.073 337 L CA 2.528 57.493 54.840 0.208 0.000 0.748 337 L CB -0.736 41.408 42.059 0.143 0.000 0.891 337 L HN 0.535 8.765 8.230 -0.000 0.000 0.431 338 E N -0.553 119.736 120.200 0.149 0.000 2.160 338 E HA -0.233 4.116 4.350 -0.002 0.000 0.195 338 E C 1.606 178.254 176.600 0.080 0.000 0.991 338 E CA 1.198 57.666 56.400 0.112 0.000 0.810 338 E CB -0.104 29.639 29.700 0.072 0.000 0.742 338 E HN 0.511 8.871 8.360 -0.000 0.000 0.466 339 K N -0.399 120.050 120.400 0.081 0.000 2.476 339 K HA 0.078 4.397 4.320 -0.002 0.000 0.196 339 K C 0.686 177.307 176.600 0.034 0.000 1.025 339 K CA 0.413 56.727 56.287 0.045 0.000 1.138 339 K CB 0.691 33.218 32.500 0.045 0.000 0.860 339 K HN 0.213 8.463 8.250 -0.000 0.000 0.515 340 G N 1.860 110.697 108.800 0.062 0.000 2.147 340 G HA2 -0.242 3.716 3.960 -0.002 0.000 0.244 340 G HA3 -0.242 3.716 3.960 -0.002 0.000 0.244 340 G C -0.454 174.545 174.900 0.165 0.000 1.005 340 G CA -0.013 45.101 45.100 0.022 0.000 0.713 340 G HN 0.244 8.534 8.290 -0.000 0.000 0.515 341 L N 0.405 121.743 121.223 0.191 0.000 2.362 341 L HA 0.798 5.136 4.340 -0.002 0.000 0.275 341 L C -0.202 176.785 176.870 0.195 0.000 0.998 341 L CA -1.171 53.758 54.840 0.148 0.000 0.820 341 L CB 1.469 43.551 42.059 0.039 0.000 1.270 341 L HN 0.093 8.323 8.230 -0.000 0.000 0.415 342 L N 6.950 128.293 121.223 0.200 0.000 2.265 342 L HA 0.578 4.917 4.340 -0.002 0.000 0.289 342 L C -0.130 176.867 176.870 0.212 0.000 1.033 342 L CA -0.420 54.531 54.840 0.184 0.000 0.814 342 L CB 0.841 42.981 42.059 0.135 0.000 1.203 342 L HN 0.660 8.890 8.230 -0.000 0.000 0.423 343 I N 0.101 120.779 120.570 0.179 0.000 3.145 343 I HA 0.616 4.785 4.170 -0.002 0.000 0.313 343 I C -1.114 175.049 176.117 0.077 0.000 1.122 343 I CA -0.815 60.595 61.300 0.184 0.000 0.987 343 I CB 2.399 40.535 38.000 0.228 0.000 1.236 343 I HN 0.501 8.711 8.210 -0.000 0.000 0.453 344 N N 1.472 120.165 118.700 -0.012 0.000 2.240 344 N HA 0.457 5.196 4.740 -0.002 0.000 0.302 344 N C -1.969 173.481 175.510 -0.099 0.000 1.106 344 N CA -0.352 52.671 53.050 -0.045 0.000 0.778 344 N CB 2.711 41.170 38.487 -0.047 0.000 1.431 344 N HN 0.888 9.268 8.380 -0.000 0.000 0.479 345 c N 2.219 120.785 118.600 -0.057 0.000 2.340 345 c HA 0.719 5.288 4.570 -0.002 0.000 0.323 345 c C -0.018 174.041 174.090 -0.052 0.000 1.260 345 c CA 0.002 56.299 56.329 -0.054 0.000 1.464 345 c CB 0.304 42.811 42.510 -0.005 0.000 2.156 345 c HN 0.745 8.975 8.230 -0.000 0.000 0.476 346 T N 3.157 117.671 114.554 -0.066 0.000 2.883 346 T HA 0.613 4.962 4.350 -0.002 0.000 0.296 346 T C 0.404 175.076 174.700 -0.046 0.000 1.117 346 T CA 0.700 62.767 62.100 -0.055 0.000 1.006 346 T CB 1.487 70.312 68.868 -0.072 0.000 1.191 346 T HN 2.291 10.531 8.240 -0.000 0.000 0.508 347 A N 0.629 123.427 122.820 -0.036 0.000 2.826 347 A HA 0.009 4.328 4.320 -0.002 0.000 0.274 347 A C 1.879 179.444 177.584 -0.031 0.000 1.443 347 A CA 2.143 54.160 52.037 -0.035 0.000 0.833 347 A CB -2.243 16.736 19.000 -0.035 0.000 1.023 347 A HN 2.632 10.782 8.150 -0.000 0.000 0.600 348 G N -0.651 108.134 108.800 -0.026 0.000 3.078 348 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.227 348 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.227 348 G C 0.652 175.550 174.900 -0.003 0.000 1.306 348 G CA 1.261 46.351 45.100 -0.017 0.000 0.841 348 G HN 2.116 10.406 8.290 -0.000 0.000 0.530 349 K N -0.325 120.072 120.400 -0.006 0.000 2.706 349 K HA 0.645 4.964 4.320 -0.002 0.000 0.203 349 K C -0.379 176.214 176.600 -0.012 0.000 1.102 349 K CA -0.232 56.060 56.287 0.010 0.000 1.058 349 K CB 1.374 33.885 32.500 0.017 0.000 0.779 349 K HN 0.332 8.582 8.250 -0.000 0.000 0.483 350 V N 2.470 122.361 119.914 -0.039 0.000 2.378 350 V HA 0.319 4.437 4.120 -0.002 0.000 0.288 350 V C -0.181 175.833 176.094 -0.134 0.000 1.016 350 V CA -0.798 61.457 62.300 -0.075 0.000 0.840 350 V CB 1.609 33.388 31.823 -0.073 0.000 0.994 350 V HN 0.312 8.502 8.190 -0.000 0.000 0.431 351 L N 5.519 126.621 121.223 -0.201 0.000 2.313 351 L HA 0.494 4.833 4.340 -0.002 0.000 0.282 351 L C 0.534 176.999 176.870 -0.674 0.000 1.092 351 L CA -0.026 54.577 54.840 -0.394 0.000 0.831 351 L CB 0.669 42.491 42.059 -0.395 0.000 1.159 351 L HN 0.594 8.824 8.230 -0.000 0.000 0.442 352 R N 3.428 123.589 120.500 -0.566 0.000 2.294 352 R HA 0.468 4.806 4.340 -0.002 0.000 0.319 352 R C -1.480 174.522 176.300 -0.497 0.000 0.984 352 R CA -0.516 55.314 56.100 -0.449 0.000 0.861 352 R CB 0.766 30.951 30.300 -0.192 0.000 1.104 352 R HN 0.267 8.537 8.270 -0.000 0.000 0.451 353 F N 5.634 125.656 119.950 0.119 0.000 2.426 353 F HA 0.398 4.923 4.527 -0.002 0.000 0.348 353 F C -0.025 175.881 175.800 0.177 0.000 1.124 353 F CA -0.804 57.343 58.000 0.245 0.000 1.008 353 F CB 1.491 40.752 39.000 0.433 0.000 1.139 353 F HN 0.299 8.599 8.300 -0.000 0.000 0.452 354 L N 5.669 127.055 121.223 0.272 0.000 2.625 354 L HA 0.290 4.629 4.340 -0.002 0.000 0.255 354 L C -2.533 174.327 176.870 -0.016 0.000 1.493 354 L CA -1.613 53.290 54.840 0.105 0.000 0.796 354 L CB 1.001 43.087 42.059 0.045 0.000 1.064 354 L HN 0.300 8.530 8.230 -0.000 0.000 0.516 355 P HA 0.259 4.679 4.420 -0.000 0.000 0.274 355 P C -2.622 174.487 177.300 -0.318 0.000 1.246 355 P CA -1.502 61.320 63.100 -0.464 0.000 0.795 355 P CB 0.109 31.138 31.700 -1.118 0.000 1.006 356 P HA 0.097 4.517 4.420 -0.000 0.000 0.268 356 P C 1.127 178.291 177.300 -0.226 0.000 1.208 356 P CA 0.208 63.148 63.100 -0.268 0.000 0.777 356 P CB 0.195 31.720 31.700 -0.291 0.000 0.875 357 L N 2.196 123.310 121.223 -0.182 0.000 2.456 357 L HA -0.079 4.259 4.340 -0.002 0.000 0.224 357 L C 1.735 178.543 176.870 -0.103 0.000 1.148 357 L CA 1.092 55.855 54.840 -0.128 0.000 0.825 357 L CB -0.782 41.207 42.059 -0.118 0.000 0.937 357 L HN 0.477 8.707 8.230 -0.000 0.000 0.450 358 I N -3.029 117.463 120.570 -0.131 0.000 3.735 358 I HA 0.099 4.268 4.170 -0.002 0.000 0.310 358 I C 1.031 177.123 176.117 -0.043 0.000 1.270 358 I CA -0.402 60.856 61.300 -0.069 0.000 1.207 358 I CB -0.034 37.934 38.000 -0.053 0.000 1.013 358 I HN -0.061 8.149 8.210 -0.000 0.000 0.452 359 I N 2.287 122.799 120.570 -0.097 0.000 2.815 359 I HA -0.027 4.142 4.170 -0.002 0.000 0.291 359 I C 0.253 176.383 176.117 0.023 0.000 1.209 359 I CA 0.958 62.219 61.300 -0.065 0.000 1.431 359 I CB 0.232 38.070 38.000 -0.271 0.000 1.351 359 I HN 0.275 8.485 8.210 -0.000 0.000 0.585 360 Q N 5.709 125.584 119.800 0.125 0.000 2.359 360 Q HA 0.323 4.662 4.340 -0.002 0.000 0.275 360 Q C 0.655 176.596 176.000 -0.098 0.000 1.082 360 Q CA -0.771 54.991 55.803 -0.067 0.000 0.849 360 Q CB 1.387 29.996 28.738 -0.215 0.000 1.377 360 Q HN 0.545 8.815 8.270 -0.000 0.000 0.452 361 K N 0.819 121.116 120.400 -0.172 0.000 2.103 361 K HA -0.233 4.086 4.320 -0.002 0.000 0.207 361 K C 1.623 178.172 176.600 -0.085 0.000 1.048 361 K CA 1.992 58.156 56.287 -0.206 0.000 0.930 361 K CB 0.197 32.349 32.500 -0.581 0.000 0.716 361 K HN 0.667 8.917 8.250 -0.000 0.000 0.444 362 E N 0.407 120.503 120.200 -0.174 0.000 2.077 362 E HA -0.229 4.120 4.350 -0.002 0.000 0.193 362 E C 1.658 178.231 176.600 -0.046 0.000 0.989 362 E CA 1.175 57.493 56.400 -0.136 0.000 0.800 362 E CB -0.331 29.233 29.700 -0.227 0.000 0.746 362 E HN 0.420 8.780 8.360 -0.000 0.000 0.452 363 H N 0.724 119.817 119.070 0.037 0.000 2.423 363 H HA -0.010 4.545 4.556 -0.002 0.000 0.297 363 H C 2.264 177.648 175.328 0.093 0.000 1.075 363 H CA 0.996 57.087 56.048 0.072 0.000 1.342 363 H CB -0.037 29.745 29.762 0.034 0.000 1.395 363 H HN 0.228 8.508 8.280 -0.000 0.000 0.530 364 I N 1.402 122.083 120.570 0.185 0.000 2.142 364 I HA -0.224 3.945 4.170 -0.002 0.000 0.240 364 I C 1.846 177.962 176.117 -0.003 0.000 1.078 364 I CA 1.165 62.494 61.300 0.048 0.000 1.343 364 I CB -0.872 37.200 38.000 0.122 0.000 1.046 364 I HN 0.141 8.351 8.210 -0.000 0.000 0.405 365 D N 0.337 120.794 120.400 0.096 0.000 2.149 365 D HA -0.221 4.417 4.640 -0.002 0.000 0.198 365 D C 2.242 178.541 176.300 -0.001 0.000 0.990 365 D CA 1.110 55.147 54.000 0.061 0.000 0.839 365 D CB -0.243 40.613 40.800 0.094 0.000 0.948 365 D HN 0.185 8.555 8.370 -0.000 0.000 0.460 366 R N 1.156 121.662 120.500 0.011 0.000 2.081 366 R HA -0.041 4.298 4.340 -0.002 0.000 0.235 366 R C 2.022 178.260 176.300 -0.103 0.000 1.131 366 R CA 1.707 57.806 56.100 -0.001 0.000 0.960 366 R CB -0.623 29.728 30.300 0.084 0.000 0.856 366 R HN 0.091 8.361 8.270 -0.000 0.000 0.436 367 A N 0.697 123.362 122.820 -0.258 0.000 1.873 367 A HA -0.067 4.252 4.320 -0.002 0.000 0.215 367 A C 2.095 179.490 177.584 -0.315 0.000 1.186 367 A CA 1.385 53.118 52.037 -0.507 0.000 0.616 367 A CB -0.499 17.697 19.000 -1.340 0.000 0.823 367 A HN 0.297 8.447 8.150 -0.000 0.000 0.442 368 I N 0.052 120.487 120.570 -0.226 0.000 2.264 368 I HA -0.183 3.986 4.170 -0.002 0.000 0.248 368 I C 2.710 178.774 176.117 -0.087 0.000 1.111 368 I CA 1.821 63.047 61.300 -0.123 0.000 1.382 368 I CB -1.322 36.639 38.000 -0.066 0.000 1.060 368 I HN 0.390 8.600 8.210 -0.000 0.000 0.418 369 S N 0.542 116.199 115.700 -0.072 0.000 2.359 369 S HA -0.133 4.336 4.470 -0.002 0.000 0.224 369 S C 2.197 176.773 174.600 -0.040 0.000 1.035 369 S CA 1.575 59.749 58.200 -0.042 0.000 1.018 369 S CB -0.199 62.986 63.200 -0.026 0.000 0.876 369 S HN 0.236 8.546 8.310 -0.000 0.000 0.448 370 V N 2.279 122.161 119.914 -0.054 0.000 2.343 370 V HA -0.153 3.966 4.120 -0.002 0.000 0.247 370 V C 2.385 178.467 176.094 -0.021 0.000 1.051 370 V CA 1.798 64.080 62.300 -0.030 0.000 1.036 370 V CB -0.757 31.046 31.823 -0.035 0.000 0.654 370 V HN 0.467 8.657 8.190 -0.000 0.000 0.451 371 L N -0.203 120.992 121.223 -0.047 0.000 2.042 371 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 371 L C 2.743 179.589 176.870 -0.039 0.000 1.076 371 L CA 2.137 56.955 54.840 -0.037 0.000 0.749 371 L CB -0.668 41.357 42.059 -0.056 0.000 0.893 371 L HN 0.287 8.517 8.230 -0.000 0.000 0.432 372 R N 0.502 120.979 120.500 -0.039 0.000 2.127 372 R HA -0.190 4.149 4.340 -0.002 0.000 0.238 372 R C 2.002 178.295 176.300 -0.012 0.000 1.134 372 R CA 1.540 57.622 56.100 -0.030 0.000 0.975 372 R CB -0.055 30.228 30.300 -0.028 0.000 0.865 372 R HN 0.435 8.705 8.270 -0.000 0.000 0.447 373 E N 0.150 120.349 120.200 -0.002 0.000 2.208 373 E HA -0.118 4.231 4.350 -0.002 0.000 0.193 373 E C 1.846 178.470 176.600 0.039 0.000 0.988 373 E CA 1.363 57.773 56.400 0.016 0.000 0.828 373 E CB 0.061 29.771 29.700 0.016 0.000 0.763 373 E HN 0.618 8.978 8.360 -0.000 0.000 0.478 374 I N -2.269 118.330 120.570 0.048 0.000 3.708 374 I HA 0.149 4.318 4.170 -0.002 0.000 0.302 374 I C 0.813 177.008 176.117 0.130 0.000 1.255 374 I CA -0.106 61.263 61.300 0.116 0.000 1.362 374 I CB 0.247 38.345 38.000 0.163 0.000 1.100 374 I HN -0.141 8.069 8.210 -0.000 0.000 0.434 375 L N 0.000 121.207 121.223 -0.027 0.000 2.949 375 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 375 L CA 0.000 54.751 54.840 -0.148 0.000 0.813 375 L CB 0.000 41.916 42.059 -0.239 0.000 0.961 375 L HN 0.000 8.230 8.230 -0.000 0.000 0.502