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 3fo3_1_B DATA FIRST_RESID 5 DATA SEQUENCE NLKPVDAMQC FDCHTQIEDM HTVGKHATVN CVHCHDATEH VETASSRRMG DATA SEQUENCE ERPVTRMDLE ACATCHTAQF NSFVEVRHES HPRLEKATPT SRSPMFDKLI DATA SEQUENCE AGHGFAFEHA EPRSHAFMLV DHFVVDRAYG GRFQFKNWQK VTDGMGAVRG DATA SEQUENCE AWTVLTDADP ESSDQRRFLS QTATAANPVC LNCKTQDHIL DWAYMGDEHE DATA SEQUENCE AAKWSRTSEV VEFARDLNHP LNCFMCHDPH SAGPRVVRDG LINAVVDRGL DATA SEQUENCE GTYPHDPVKS EQQGMTKVTF QRGREDFRAI GLLDTADSNV MCAQCHVEYN DATA SEQUENCE CNPGYQLSDG SRVGMDDRRA NHFFWANVFD YKEAAQEIDF FDFRHATTGA DATA SEQUENCE ALPKLQHPEA ETFWGSVHER NGVACADCHM PKVQLENGKV YTSHSQRTPR DATA SEQUENCE DMMGQACLNC HAEWTEDQAL YAIDYIKNYT HGKIVKSEYW LAKMIDLFPV DATA SEQUENCE AKRAGVSEDV LNQARELHYD AHLYWEWWTA ENSVGFHNPD QARESLMTSI DATA SEQUENCE SKSKEAVSLL NDAIDAQVA 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 5 N HA 0.000 4.710 4.740 -0.050 0.000 0.220 5 N C 0.000 175.472 175.510 -0.064 0.000 1.280 5 N CA 0.000 53.021 53.050 -0.048 0.000 0.885 5 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 6 L N 1.084 122.251 121.223 -0.093 0.000 2.453 6 L HA -0.011 4.257 4.340 -0.119 0.000 0.272 6 L C -0.140 176.667 176.870 -0.105 0.000 1.182 6 L CA 0.451 55.213 54.840 -0.131 0.000 0.858 6 L CB 0.512 42.425 42.059 -0.244 0.000 1.120 6 L HN 0.105 8.278 8.230 -0.096 0.000 0.474 7 K N 3.483 123.827 120.400 -0.093 0.000 2.323 7 K HA 0.421 4.706 4.320 -0.060 0.000 0.259 7 K C -2.253 174.305 176.600 -0.071 0.000 0.947 7 K CA -3.022 53.224 56.287 -0.067 0.000 0.819 7 K CB 0.798 33.269 32.500 -0.048 0.000 1.109 7 K HN -0.111 8.082 8.250 -0.095 0.000 0.429 8 P HA -0.040 4.487 4.420 -0.059 -0.142 0.272 8 P C -1.052 176.222 177.300 -0.043 0.000 1.223 8 P CA -0.489 62.583 63.100 -0.047 0.000 0.784 8 P CB 0.629 32.317 31.700 -0.020 0.000 0.923 9 V N -3.420 116.466 119.914 -0.048 0.000 2.975 9 V HA 0.261 4.351 4.120 -0.050 0.000 0.318 9 V C -1.088 174.962 176.094 -0.075 0.000 1.077 9 V CA -2.793 59.474 62.300 -0.056 0.000 1.000 9 V CB 1.951 33.741 31.823 -0.056 0.000 1.066 9 V HN -0.119 8.331 8.190 -0.047 -0.288 0.452 10 D N 0.984 121.335 120.400 -0.083 0.000 2.359 10 D HA 0.005 4.593 4.640 -0.086 0.000 0.250 10 D C 0.584 176.771 176.300 -0.188 0.000 1.264 10 D CA -0.379 53.560 54.000 -0.102 0.000 0.911 10 D CB 0.171 40.926 40.800 -0.075 0.000 1.056 10 D HN 0.204 8.531 8.370 -0.073 0.000 0.499 11 A N 8.088 130.742 122.820 -0.275 0.000 2.070 11 A HA -0.238 3.734 4.320 -0.581 0.000 0.220 11 A C 1.026 178.131 177.584 -0.797 0.000 1.159 11 A CA 2.320 53.987 52.037 -0.615 0.000 0.656 11 A CB -0.040 18.519 19.000 -0.735 0.000 0.800 11 A HN 0.376 8.399 8.150 -0.212 0.000 0.453 12 M N -2.627 116.765 119.600 -0.347 0.000 2.213 12 M HA -0.359 4.122 4.480 0.002 0.000 0.263 12 M C 1.976 178.226 176.300 -0.083 0.000 1.062 12 M CA 1.194 56.429 55.300 -0.109 0.000 1.105 12 M CB -1.620 30.988 32.600 0.014 0.000 1.385 12 M HN -0.418 7.927 8.290 -0.224 -0.189 0.417 13 Q N -0.124 119.603 119.800 -0.121 0.000 2.061 13 Q HA -0.354 3.953 4.340 -0.054 0.000 0.204 13 Q C 2.537 178.489 176.000 -0.080 0.000 0.984 13 Q CA 3.158 58.909 55.803 -0.086 0.000 0.846 13 Q CB -0.071 28.614 28.738 -0.089 0.000 0.902 13 Q HN -0.446 7.740 8.270 -0.139 0.000 0.421 14 C N -1.046 118.168 119.300 -0.143 0.000 2.429 14 C HA -0.246 4.243 4.460 0.048 0.000 0.277 14 C C 2.409 177.479 174.990 0.132 0.000 1.262 14 C CA 3.193 62.195 59.018 -0.027 0.000 1.733 14 C CB -1.598 26.054 27.740 -0.146 0.000 2.010 14 C HN -0.346 7.744 8.230 -0.234 0.000 0.483 15 F N -2.186 117.783 119.950 0.033 0.000 2.333 15 F HA -0.171 4.392 4.527 0.061 0.000 0.300 15 F C 1.649 177.453 175.800 0.005 0.000 1.083 15 F CA -0.011 58.008 58.000 0.033 0.000 1.395 15 F CB -1.019 37.995 39.000 0.022 0.000 1.056 15 F HN -0.226 7.994 8.300 -0.134 0.000 0.529 16 D N -0.985 119.506 120.400 0.152 0.000 2.158 16 D HA -0.179 4.497 4.640 0.061 0.000 0.197 16 D C 0.903 177.199 176.300 -0.007 0.000 0.995 16 D CA 2.572 56.602 54.000 0.051 0.000 0.846 16 D CB 0.475 41.278 40.800 0.005 0.000 0.941 16 D HN -0.427 7.996 8.370 0.121 0.020 0.456 17 C N -4.244 115.013 119.300 -0.071 0.000 2.791 17 C HA 0.211 4.577 4.460 -0.158 0.000 0.288 17 C C 0.151 174.989 174.990 -0.253 0.000 1.271 17 C CA -0.014 58.870 59.018 -0.223 0.000 1.726 17 C CB 1.514 29.009 27.740 -0.407 0.000 2.145 17 C HN -0.711 7.473 8.230 -0.054 0.014 0.572 18 H N 0.748 119.874 119.070 0.093 0.000 2.486 18 H HA 0.372 4.979 4.556 0.085 0.000 0.239 18 H C 1.381 176.765 175.328 0.094 0.000 1.480 18 H CA -0.733 55.376 56.048 0.102 0.000 1.324 18 H CB -0.268 29.557 29.762 0.105 0.000 1.486 18 H HN -0.148 8.213 8.280 0.136 0.000 0.544 19 T N 1.613 116.242 114.554 0.124 0.000 2.904 19 T HA -0.076 4.274 4.350 0.000 0.000 0.267 19 T C 1.670 176.381 174.700 0.018 0.000 1.059 19 T CA 0.924 63.049 62.100 0.041 0.000 1.137 19 T CB 0.379 69.252 68.868 0.009 0.000 0.879 19 T HN 0.086 nan 8.240 nan 0.000 0.467 20 Q N 1.917 121.756 119.800 0.065 0.000 2.079 20 Q HA -0.269 4.075 4.340 0.007 0.000 0.200 20 Q C 1.476 177.521 176.000 0.076 0.000 0.974 20 Q CA 2.666 58.501 55.803 0.052 0.000 0.840 20 Q CB -0.049 28.714 28.738 0.042 0.000 0.898 20 Q HN -0.019 8.313 8.270 0.102 0.000 0.430 21 I N -1.579 119.051 120.570 0.099 0.000 2.226 21 I HA -0.416 3.762 4.170 0.014 0.000 0.245 21 I C 1.962 178.058 176.117 -0.035 0.000 1.100 21 I CA 2.306 63.618 61.300 0.019 0.000 1.374 21 I CB -1.481 36.465 38.000 -0.091 0.000 1.057 21 I HN -0.227 8.071 8.210 0.148 0.000 0.413 22 E N 1.107 121.167 120.200 -0.232 0.000 2.070 22 E HA -0.535 2.817 4.350 -1.663 0.000 0.197 22 E C 1.965 178.326 176.600 -0.397 0.000 1.004 22 E CA 3.711 59.608 56.400 -0.838 0.000 0.805 22 E CB -0.243 28.981 29.700 -0.793 0.000 0.744 22 E HN -0.212 8.091 8.360 -0.094 0.000 0.451 23 D N -0.640 119.653 120.400 -0.179 0.000 2.117 23 D HA -0.231 4.346 4.640 -0.106 0.000 0.197 23 D C 2.432 178.719 176.300 -0.022 0.000 0.987 23 D CA 2.696 56.643 54.000 -0.088 0.000 0.829 23 D CB -0.008 40.764 40.800 -0.047 0.000 0.961 23 D HN -0.489 7.797 8.370 -0.139 0.000 0.460 24 M N -1.359 118.262 119.600 0.036 0.000 2.123 24 M HA -0.336 4.193 4.480 0.081 0.000 0.263 24 M C 1.978 178.365 176.300 0.145 0.000 1.069 24 M CA 3.912 59.277 55.300 0.109 0.000 1.133 24 M CB 0.202 32.913 32.600 0.185 0.000 1.356 24 M HN -0.495 7.817 8.290 0.037 0.000 0.415 25 H N 0.116 119.233 119.070 0.079 0.000 2.363 25 H HA -0.037 4.876 4.556 0.212 -0.230 0.301 25 H C 2.365 177.755 175.328 0.103 0.000 1.074 25 H CA 4.145 60.288 56.048 0.159 0.000 1.354 25 H CB 1.486 31.411 29.762 0.271 0.000 1.397 25 H HN 0.081 8.499 8.280 0.231 0.000 0.516 26 T N -4.493 110.128 114.554 0.110 0.000 2.995 26 T HA -0.117 4.319 4.350 0.143 0.000 0.269 26 T C 1.364 176.074 174.700 0.017 0.000 1.091 26 T CA 2.878 65.018 62.100 0.066 0.000 1.128 26 T CB -0.342 68.513 68.868 -0.021 0.000 0.891 26 T HN -0.226 8.035 8.240 0.034 0.000 0.492 27 V N -0.076 119.840 119.914 0.004 0.000 3.125 27 V HA 0.203 4.325 4.120 0.002 0.000 0.249 27 V C 0.918 177.009 176.094 -0.004 0.000 1.113 27 V CA 0.571 62.872 62.300 0.001 0.000 1.106 27 V CB 0.276 32.101 31.823 0.003 0.000 0.768 27 V HN -0.394 7.767 8.190 0.011 0.036 0.468 28 G N -1.041 107.752 108.800 -0.012 0.000 2.510 28 G HA2 0.206 4.155 3.960 -0.018 0.000 0.280 28 G HA3 0.206 4.295 3.960 -0.025 -0.144 0.280 28 G C -0.258 174.617 174.900 -0.042 0.000 1.386 28 G CA -0.698 44.387 45.100 -0.025 0.000 1.047 28 G HN -0.776 7.508 8.290 -0.010 0.000 0.527 29 K N -1.321 119.041 120.400 -0.063 0.000 2.444 29 K HA 0.001 4.313 4.320 -0.014 0.000 0.193 29 K C 0.191 176.814 176.600 0.038 0.000 1.024 29 K CA 1.021 57.284 56.287 -0.040 0.000 1.077 29 K CB 0.147 32.608 32.500 -0.066 0.000 0.833 29 K HN -0.254 7.941 8.250 -0.091 0.000 0.517 30 H N -2.369 116.635 119.070 -0.110 0.000 2.487 30 H HA 0.268 4.765 4.556 -0.099 0.000 0.290 30 H C 0.225 175.317 175.328 -0.395 0.000 1.081 30 H CA -1.243 54.709 56.048 -0.161 0.000 1.116 30 H CB -0.065 29.640 29.762 -0.094 0.000 1.560 30 H HN -0.137 8.087 8.280 -0.007 0.051 0.548 31 A N -0.264 122.434 122.820 -0.203 0.000 2.019 31 A HA -0.132 4.004 4.320 -0.541 -0.141 0.219 31 A C 0.250 177.831 177.584 -0.005 0.000 1.164 31 A CA 2.467 54.364 52.037 -0.233 0.000 0.644 31 A CB 0.103 19.075 19.000 -0.045 0.000 0.805 31 A HN -0.788 7.245 8.150 -0.096 0.059 0.449 32 T N -8.001 106.566 114.554 0.021 0.000 3.086 32 T HA 0.080 4.496 4.350 0.110 0.000 0.250 32 T C 0.306 175.054 174.700 0.079 0.000 1.074 32 T CA -0.779 61.364 62.100 0.072 0.000 0.988 32 T CB -0.022 68.870 68.868 0.039 0.000 0.988 32 T HN -0.398 7.820 8.240 0.002 0.022 0.530 33 V N 4.684 124.642 119.914 0.073 0.000 2.368 33 V HA 0.033 4.132 4.120 -0.035 0.000 0.266 33 V C -0.324 175.913 176.094 0.237 0.000 1.045 33 V CA -0.328 61.986 62.300 0.024 0.000 0.899 33 V CB -1.111 30.557 31.823 -0.258 0.000 1.006 33 V HN -0.387 7.665 8.190 0.050 0.169 0.470 34 N N 5.621 124.459 118.700 0.231 0.000 2.508 34 N HA -0.091 4.742 4.740 0.155 0.000 0.264 34 N C 1.395 177.013 175.510 0.180 0.000 1.216 34 N CA 0.510 53.676 53.050 0.193 0.000 0.943 34 N CB 2.434 40.996 38.487 0.126 0.000 1.113 34 N HN 0.113 8.635 8.380 0.236 0.000 0.447 35 C N 2.551 121.898 119.300 0.078 0.000 2.410 35 C HA -0.236 4.330 4.460 0.178 0.000 0.281 35 C C 1.667 176.717 174.990 0.099 0.000 1.318 35 C CA 2.316 61.401 59.018 0.113 0.000 1.776 35 C CB -1.663 26.103 27.740 0.043 0.000 1.942 35 C HN 0.757 8.993 8.230 0.010 0.000 0.508 36 V N 0.923 120.848 119.914 0.018 0.000 2.867 36 V HA -0.211 4.105 4.120 -0.017 -0.206 0.260 36 V C 1.202 177.219 176.094 -0.129 0.000 1.099 36 V CA 2.626 64.891 62.300 -0.059 0.000 1.122 36 V CB -0.618 31.135 31.823 -0.117 0.000 0.708 36 V HN -0.511 7.938 8.190 0.005 -0.255 0.490 37 H N -2.888 116.149 119.070 -0.055 0.000 2.456 37 H HA -0.181 4.325 4.556 -0.084 0.000 0.296 37 H C 0.451 175.701 175.328 -0.129 0.000 1.079 37 H CA 3.499 59.493 56.048 -0.090 0.000 1.322 37 H CB 0.130 29.829 29.762 -0.105 0.000 1.388 37 H HN -0.398 7.893 8.280 0.071 0.032 0.538 38 C N -6.556 112.692 119.300 -0.086 0.000 3.931 38 C HA 0.218 4.558 4.460 -0.199 0.000 0.378 38 C C -1.810 172.921 174.990 -0.431 0.000 1.554 38 C CA -0.222 58.623 59.018 -0.289 0.000 1.926 38 C CB 1.999 29.477 27.740 -0.437 0.000 2.837 38 C HN -0.353 7.815 8.230 -0.061 0.025 0.701 39 H N -0.756 118.302 119.070 -0.020 0.000 2.667 39 H HA 0.841 5.591 4.556 -0.034 -0.214 0.353 39 H C -2.134 173.176 175.328 -0.031 0.000 1.072 39 H CA -1.400 54.629 56.048 -0.031 0.000 1.214 39 H CB 3.149 32.889 29.762 -0.038 0.000 1.600 39 H HN -0.099 8.168 8.280 -0.021 0.000 0.527 40 D N 2.816 123.275 120.400 0.097 0.000 2.473 40 D HA 0.296 4.959 4.640 0.039 0.000 0.226 40 D C -1.302 175.034 176.300 0.060 0.000 1.089 40 D CA -0.986 53.045 54.000 0.052 0.000 0.883 40 D CB 0.616 41.433 40.800 0.027 0.000 1.029 40 D HN 0.167 8.594 8.370 0.095 0.000 0.517 41 A N 5.517 128.376 122.820 0.065 0.000 2.564 41 A HA 0.288 4.675 4.320 0.112 0.000 0.279 41 A C 0.315 177.953 177.584 0.091 0.000 1.232 41 A CA -0.160 51.937 52.037 0.101 0.000 0.950 41 A CB 0.791 19.860 19.000 0.116 0.000 1.138 41 A HN 0.424 8.606 8.150 0.054 0.000 0.526 42 T N 2.578 117.160 114.554 0.047 0.000 2.674 42 T HA -0.465 3.890 4.350 0.009 0.000 0.265 42 T C 1.845 176.560 174.700 0.025 0.000 1.039 42 T CA 5.883 67.996 62.100 0.022 0.000 1.150 42 T CB -0.281 68.592 68.868 0.008 0.000 0.864 42 T HN -0.471 7.965 8.240 0.039 -0.173 0.427 43 E N -1.155 119.069 120.200 0.041 0.000 2.106 43 E HA -0.342 4.187 4.350 0.019 -0.168 0.192 43 E C 1.417 178.055 176.600 0.064 0.000 0.984 43 E CA 2.801 59.224 56.400 0.039 0.000 0.806 43 E CB -0.175 29.547 29.700 0.037 0.000 0.750 43 E HN 0.251 8.638 8.360 0.044 0.000 0.458 44 H N 0.066 119.129 119.070 -0.011 0.000 2.319 44 H HA -0.269 4.406 4.556 -0.010 -0.125 0.299 44 H C 1.820 177.139 175.328 -0.014 0.000 1.092 44 H CA 2.941 58.983 56.048 -0.010 0.000 1.302 44 H CB -0.278 29.478 29.762 -0.009 0.000 1.373 44 H HN -0.379 8.015 8.280 0.191 0.000 0.497 45 V N -1.486 118.343 119.914 -0.142 0.000 2.490 45 V HA -0.357 3.558 4.120 -0.343 0.000 0.250 45 V C 1.119 177.126 176.094 -0.146 0.000 1.061 45 V CA 3.234 65.409 62.300 -0.208 0.000 1.064 45 V CB -0.759 31.000 31.823 -0.105 0.000 0.670 45 V HN -0.176 8.003 8.190 -0.017 0.000 0.461 46 E N -3.323 116.828 120.200 -0.082 0.000 2.274 46 E HA -0.152 4.163 4.350 -0.059 0.000 0.194 46 E C 1.245 177.808 176.600 -0.061 0.000 0.996 46 E CA 1.997 58.362 56.400 -0.058 0.000 0.840 46 E CB 0.252 29.933 29.700 -0.031 0.000 0.772 46 E HN -0.424 7.887 8.360 -0.056 0.014 0.491 47 T N -8.054 106.457 114.554 -0.071 0.000 2.958 47 T HA 0.181 4.506 4.350 -0.042 0.000 0.256 47 T C 0.280 174.941 174.700 -0.065 0.000 0.983 47 T CA -0.577 61.494 62.100 -0.048 0.000 0.924 47 T CB 1.136 69.999 68.868 -0.009 0.000 1.136 47 T HN -0.565 7.464 8.240 -0.091 0.157 0.506 48 A N 3.992 126.729 122.820 -0.138 0.000 2.425 48 A HA -0.022 4.439 4.320 -0.066 -0.181 0.242 48 A C -0.160 177.356 177.584 -0.114 0.000 1.077 48 A CA 0.003 51.953 52.037 -0.146 0.000 0.781 48 A CB 1.057 19.838 19.000 -0.365 0.000 1.020 48 A HN -0.227 7.799 8.150 -0.206 0.000 0.494 49 S N 1.690 117.342 115.700 -0.080 0.000 2.798 49 S HA 0.214 4.635 4.470 -0.082 0.000 0.312 49 S C 0.736 175.286 174.600 -0.083 0.000 1.122 49 S CA -0.947 57.209 58.200 -0.074 0.000 0.949 49 S CB 2.474 65.645 63.200 -0.049 0.000 1.235 49 S HN -0.101 8.175 8.310 -0.058 0.000 0.552 50 S N -1.657 113.999 115.700 -0.074 0.000 2.419 50 S HA -0.120 4.287 4.470 -0.106 0.000 0.235 50 S C 1.807 176.368 174.600 -0.065 0.000 1.019 50 S CA 2.209 60.361 58.200 -0.079 0.000 0.982 50 S CB -0.170 62.995 63.200 -0.059 0.000 0.789 50 S HN 0.243 8.514 8.310 -0.064 0.000 0.490 51 R N -2.914 117.561 120.500 -0.043 0.000 2.509 51 R HA 0.104 4.430 4.340 -0.023 0.000 0.297 51 R C -1.034 175.258 176.300 -0.014 0.000 0.951 51 R CA 0.000 56.086 56.100 -0.025 0.000 1.103 51 R CB 1.327 31.616 30.300 -0.019 0.000 1.283 51 R HN -0.750 7.472 8.270 -0.041 0.023 0.534 52 R N -0.483 120.008 120.500 -0.015 0.000 2.534 52 R HA 0.379 4.719 4.340 -0.001 0.000 0.301 52 R C -0.066 176.248 176.300 0.024 0.000 0.961 52 R CA -2.408 53.691 56.100 -0.002 0.000 0.871 52 R CB 1.366 31.660 30.300 -0.009 0.000 1.170 52 R HN -0.495 7.760 8.270 -0.025 0.000 0.446 53 M N 4.082 123.714 119.600 0.053 0.000 2.229 53 M HA -0.318 4.305 4.480 0.239 0.000 0.264 53 M C 0.283 176.689 176.300 0.177 0.000 1.063 53 M CA 3.033 58.422 55.300 0.147 0.000 1.114 53 M CB 0.411 33.054 32.600 0.072 0.000 1.387 53 M HN 0.666 8.974 8.290 0.029 0.000 0.420 54 G N -3.182 105.665 108.800 0.078 0.000 2.547 54 G HA2 -0.519 3.461 3.960 0.033 0.000 0.271 54 G HA3 -0.519 3.477 3.960 0.059 0.000 0.271 54 G C -0.431 174.523 174.900 0.090 0.000 1.209 54 G CA -0.259 44.880 45.100 0.066 0.000 0.959 54 G HN -0.303 7.991 8.290 0.045 0.023 0.563 55 E N 3.186 123.446 120.200 0.100 0.000 2.384 55 E HA -0.127 4.252 4.350 0.048 0.000 0.266 55 E C -0.220 176.439 176.600 0.098 0.000 1.012 55 E CA -0.123 56.326 56.400 0.081 0.000 0.901 55 E CB 0.782 30.523 29.700 0.068 0.000 0.967 55 E HN -0.038 8.375 8.360 0.089 0.000 0.435 56 R N 4.138 124.647 120.500 0.015 0.000 2.347 56 R HA 0.043 4.304 4.340 -0.131 0.000 0.304 56 R C -1.863 174.389 176.300 -0.081 0.000 1.072 56 R CA -1.981 54.078 56.100 -0.068 0.000 0.980 56 R CB 0.551 30.824 30.300 -0.045 0.000 0.986 56 R HN 0.230 8.508 8.270 0.012 0.000 0.448 57 P HA 0.035 4.531 4.420 -0.025 -0.091 0.272 57 P C -1.814 175.465 177.300 -0.035 0.000 1.223 57 P CA -0.457 62.576 63.100 -0.113 0.000 0.784 57 P CB 1.215 32.767 31.700 -0.247 0.000 0.923 58 V N 1.604 121.532 119.914 0.023 0.000 2.432 58 V HA 0.137 4.281 4.120 0.041 0.000 0.275 58 V C -0.338 175.803 176.094 0.080 0.000 1.043 58 V CA -0.275 62.052 62.300 0.045 0.000 0.925 58 V CB 0.459 32.306 31.823 0.040 0.000 0.985 58 V HN 0.171 8.380 8.190 0.032 0.000 0.466 59 T N 9.660 124.261 114.554 0.079 0.000 2.770 59 T HA 0.625 5.185 4.350 0.028 -0.193 0.283 59 T C -0.243 174.453 174.700 -0.007 0.000 0.988 59 T CA -0.757 61.371 62.100 0.048 0.000 0.957 59 T CB 0.753 69.673 68.868 0.087 0.000 0.930 59 T HN 0.296 8.577 8.240 0.070 0.000 0.443 60 R N 7.132 127.588 120.500 -0.072 0.000 2.442 60 R HA -0.023 4.327 4.340 0.018 0.000 0.291 60 R C -0.417 175.871 176.300 -0.020 0.000 1.069 60 R CA 0.941 57.021 56.100 -0.034 0.000 1.022 60 R CB 0.676 30.936 30.300 -0.066 0.000 0.976 60 R HN 0.459 8.650 8.270 -0.133 0.000 0.443 61 M N 1.591 121.234 119.600 0.071 0.000 2.300 61 M HA 0.093 4.756 4.480 0.305 0.000 0.313 61 M C -1.405 174.847 176.300 -0.080 0.000 0.988 61 M CA -1.177 54.242 55.300 0.199 0.000 1.012 61 M CB 0.896 33.713 32.600 0.362 0.000 1.586 61 M HN 0.326 8.677 8.290 0.101 0.000 0.562 62 D N -1.908 118.278 120.400 -0.357 0.000 2.399 62 D HA -0.085 3.587 4.640 -1.614 0.000 0.241 62 D C 1.144 177.261 176.300 -0.305 0.000 1.133 62 D CA -0.134 53.416 54.000 -0.749 0.000 0.890 62 D CB 0.777 41.334 40.800 -0.404 0.000 1.201 62 D HN -0.681 7.576 8.370 -0.189 0.000 0.432 63 L N 0.089 121.177 121.223 -0.223 0.000 2.275 63 L HA -0.221 4.087 4.340 -0.054 0.000 0.215 63 L C 2.072 178.905 176.870 -0.062 0.000 1.119 63 L CA 2.960 57.788 54.840 -0.021 0.000 0.790 63 L CB -0.290 41.874 42.059 0.176 0.000 0.919 63 L HN 0.542 8.617 8.230 -0.258 0.000 0.443 64 E N -1.343 118.747 120.200 -0.184 0.000 2.409 64 E HA -0.264 3.710 4.350 -0.625 0.000 0.198 64 E C 1.160 177.627 176.600 -0.222 0.000 1.024 64 E CA 2.057 58.241 56.400 -0.359 0.000 0.861 64 E CB -0.701 28.813 29.700 -0.309 0.000 0.788 64 E HN 0.080 8.386 8.360 -0.142 -0.032 0.521 65 A N -1.475 121.265 122.820 -0.133 0.000 2.019 65 A HA -0.190 4.089 4.320 -0.070 0.000 0.219 65 A C 0.599 178.139 177.584 -0.073 0.000 1.164 65 A CA 2.514 54.503 52.037 -0.080 0.000 0.644 65 A CB -0.198 18.768 19.000 -0.056 0.000 0.805 65 A HN -0.440 7.691 8.150 -0.125 -0.056 0.449 66 C N -4.417 114.847 119.300 -0.061 0.000 2.611 66 C HA 0.132 4.599 4.460 0.011 0.000 0.282 66 C C 1.464 176.432 174.990 -0.038 0.000 1.321 66 C CA 0.577 59.598 59.018 0.005 0.000 1.747 66 C CB -0.225 27.565 27.740 0.084 0.000 2.124 66 C HN -0.505 7.667 8.230 -0.065 0.019 0.531 67 A N 0.577 123.291 122.820 -0.177 0.000 2.121 67 A HA -0.244 nan 4.320 nan 0.000 0.218 67 A C 1.686 179.131 177.584 -0.232 0.000 1.154 67 A CA 2.669 54.536 52.037 -0.283 0.000 0.679 67 A CB -0.901 17.564 19.000 -0.890 0.000 0.795 67 A HN 0.155 8.056 8.150 -0.240 0.105 0.458 68 T N -1.751 112.678 114.554 -0.208 0.000 2.857 68 T HA -0.069 4.281 4.350 0.000 0.000 0.266 68 T C 2.093 176.675 174.700 -0.196 0.000 1.048 68 T CA 1.148 63.145 62.100 -0.171 0.000 1.139 68 T CB -0.780 68.017 68.868 -0.119 0.000 0.874 68 T HN -0.022 nan 8.240 nan 0.000 0.455 69 C N 1.846 120.973 119.300 -0.288 0.000 2.563 69 C HA 0.067 4.527 4.460 0.000 0.000 0.268 69 C C 0.151 174.796 174.990 -0.575 0.000 1.365 69 C CA -0.560 58.183 59.018 -0.459 0.000 1.754 69 C CB -0.029 27.330 27.740 -0.635 0.000 1.932 69 C HN -0.228 nan 8.230 nan 0.000 0.536 70 H N -0.258 118.747 119.070 -0.108 0.000 2.535 70 H HA 0.274 4.764 4.556 -0.110 0.000 0.232 70 H C -0.587 174.690 175.328 -0.085 0.000 1.405 70 H CA -1.474 54.512 56.048 -0.104 0.000 1.224 70 H CB -0.761 28.939 29.762 -0.103 0.000 1.763 70 H HN -0.178 7.802 8.280 -0.151 0.209 0.529 71 T N 3.028 117.572 114.554 -0.017 0.000 2.788 71 T HA -0.286 4.163 4.350 0.046 -0.071 0.268 71 T C 0.717 175.419 174.700 0.003 0.000 1.044 71 T CA 4.485 66.588 62.100 0.005 0.000 1.139 71 T CB -0.059 68.787 68.868 -0.037 0.000 0.867 71 T HN 0.235 8.439 8.240 -0.060 0.000 0.454 72 A N 0.873 123.606 122.820 -0.145 0.000 1.902 72 A HA -0.335 3.824 4.320 -0.268 0.000 0.217 72 A C 1.888 179.345 177.584 -0.211 0.000 1.181 72 A CA 3.085 54.912 52.037 -0.351 0.000 0.623 72 A CB -0.819 17.626 19.000 -0.925 0.000 0.818 72 A HN 0.292 8.345 8.150 -0.162 0.000 0.443 73 Q N -1.150 118.554 119.800 -0.160 0.000 2.079 73 Q HA -0.266 4.008 4.340 -0.109 0.000 0.200 73 Q C 2.237 178.212 176.000 -0.040 0.000 0.974 73 Q CA 3.157 58.840 55.803 -0.200 0.000 0.840 73 Q CB -0.307 28.107 28.738 -0.541 0.000 0.898 73 Q HN -0.369 7.806 8.270 -0.158 0.000 0.430 74 F N 2.059 121.960 119.950 -0.081 0.000 2.095 74 F HA -0.440 4.123 4.527 0.059 0.000 0.298 74 F C 1.266 177.113 175.800 0.078 0.000 1.104 74 F CA 3.621 61.633 58.000 0.021 0.000 1.232 74 F CB 0.250 39.247 39.000 -0.005 0.000 0.987 74 F HN -0.362 8.047 8.300 0.182 0.000 0.475 75 N N -2.287 116.488 118.700 0.126 0.000 2.188 75 N HA -0.375 4.324 4.740 -0.068 0.000 0.184 75 N C 1.902 177.384 175.510 -0.047 0.000 1.018 75 N CA 2.904 55.962 53.050 0.014 0.000 0.858 75 N CB -0.443 38.098 38.487 0.090 0.000 0.989 75 N HN 0.072 8.578 8.380 0.211 0.000 0.426 76 S N 0.938 116.661 115.700 0.039 0.000 2.368 76 S HA -0.173 4.545 4.470 0.044 -0.223 0.224 76 S C 1.998 176.615 174.600 0.029 0.000 1.029 76 S CA 2.749 60.998 58.200 0.082 0.000 0.988 76 S CB -0.318 63.021 63.200 0.231 0.000 0.838 76 S HN -0.628 7.723 8.310 0.067 0.000 0.462 77 F N 1.566 121.473 119.950 -0.071 0.000 2.134 77 F HA -0.235 4.534 4.527 0.002 -0.241 0.299 77 F C 1.819 177.486 175.800 -0.221 0.000 1.097 77 F CA 2.749 60.690 58.000 -0.099 0.000 1.264 77 F CB 0.418 39.340 39.000 -0.130 0.000 1.001 77 F HN -0.414 7.992 8.300 0.176 0.000 0.479 78 V N -8.922 110.640 119.914 -0.586 0.000 3.461 78 V HA -0.074 3.513 4.120 -0.890 0.000 0.267 78 V C -0.228 175.575 176.094 -0.484 0.000 1.186 78 V CA -0.662 61.235 62.300 -0.672 0.000 1.154 78 V CB -1.360 30.096 31.823 -0.613 0.000 0.802 78 V HN -0.714 7.207 8.190 -0.448 0.000 0.474 79 E N -0.152 119.832 120.200 -0.359 0.000 2.452 79 E HA -0.211 4.005 4.350 -0.223 0.000 0.261 79 E C -0.550 175.856 176.600 -0.324 0.000 0.987 79 E CA 0.757 56.997 56.400 -0.267 0.000 0.926 79 E CB 0.658 30.248 29.700 -0.183 0.000 0.934 79 E HN -0.694 7.431 8.360 -0.320 0.043 0.452 80 V N 3.277 123.003 119.914 -0.313 0.000 2.383 80 V HA -0.045 3.916 4.120 -0.265 0.000 0.275 80 V C -0.599 175.219 176.094 -0.460 0.000 1.036 80 V CA -0.436 61.662 62.300 -0.337 0.000 0.889 80 V CB 0.329 31.993 31.823 -0.265 0.000 0.985 80 V HN 0.070 8.088 8.190 -0.287 0.000 0.459 81 R N 6.770 127.087 120.500 -0.304 0.000 2.272 81 R HA 0.143 4.334 4.340 -0.249 0.000 0.334 81 R C 0.823 176.983 176.300 -0.233 0.000 1.117 81 R CA -0.483 55.466 56.100 -0.252 0.000 0.966 81 R CB -0.254 29.940 30.300 -0.178 0.000 1.049 81 R HN -0.061 8.070 8.270 -0.230 0.000 0.477 82 H N 5.514 124.558 119.070 -0.042 0.000 2.491 82 H HA -0.248 4.294 4.556 -0.024 0.000 0.290 82 H C 0.811 176.097 175.328 -0.072 0.000 1.050 82 H CA 2.966 58.993 56.048 -0.035 0.000 1.309 82 H CB 0.131 29.884 29.762 -0.014 0.000 1.392 82 H HN 0.281 8.392 8.280 -0.282 0.000 0.554 83 E N -2.145 118.035 120.200 -0.033 0.000 2.418 83 E HA -0.131 4.139 4.350 -0.133 0.000 0.197 83 E C -0.363 175.957 176.600 -0.466 0.000 1.026 83 E CA 1.049 57.340 56.400 -0.182 0.000 0.862 83 E CB -0.532 29.090 29.700 -0.128 0.000 0.799 83 E HN 0.250 8.560 8.360 -0.040 0.025 0.518 84 S N 1.169 116.690 115.700 -0.297 0.000 2.494 84 S HA 0.036 4.279 4.470 -0.378 0.000 0.312 84 S C -0.380 174.085 174.600 -0.225 0.000 1.121 84 S CA -0.168 57.854 58.200 -0.297 0.000 1.068 84 S CB -0.846 62.248 63.200 -0.177 0.000 1.141 84 S HN -0.831 7.221 8.310 -0.199 0.138 0.527 85 H N 6.544 125.588 119.070 -0.043 0.000 3.034 85 H HA 0.008 4.544 4.556 -0.034 0.000 0.324 85 H C -0.890 174.403 175.328 -0.058 0.000 1.015 85 H CA -1.844 54.178 56.048 -0.043 0.000 1.429 85 H CB -0.791 28.946 29.762 -0.042 0.000 1.429 85 H HN -0.291 7.601 8.280 -0.647 0.000 0.585 86 P HA 0.205 4.591 4.420 -0.057 0.000 0.287 86 P C -0.568 176.728 177.300 -0.007 0.000 1.270 86 P CA -0.523 62.558 63.100 -0.033 0.000 0.844 86 P CB 1.331 32.966 31.700 -0.109 0.000 1.068 87 R N -2.389 118.102 120.500 -0.015 0.000 3.516 87 R HA -0.416 3.935 4.340 0.018 0.000 0.271 87 R C -1.399 174.913 176.300 0.020 0.000 1.098 87 R CA 0.513 56.624 56.100 0.019 0.000 0.732 87 R CB -1.144 29.191 30.300 0.058 0.000 1.152 87 R HN 0.393 8.643 8.270 -0.034 0.000 0.455 88 L N -0.041 121.184 121.223 0.004 0.000 2.259 88 L HA 0.147 4.488 4.340 0.002 0.000 0.288 88 L C -1.439 175.416 176.870 -0.025 0.000 1.051 88 L CA -1.076 53.763 54.840 -0.002 0.000 0.824 88 L CB 0.909 42.976 42.059 0.014 0.000 1.206 88 L HN -0.173 8.051 8.230 -0.003 0.004 0.429 89 E N 7.157 127.353 120.200 -0.006 0.000 2.376 89 E HA -0.192 4.281 4.350 -0.015 -0.132 0.266 89 E C -0.353 176.226 176.600 -0.034 0.000 1.009 89 E CA 0.388 56.785 56.400 -0.004 0.000 0.902 89 E CB 0.191 29.917 29.700 0.044 0.000 0.972 89 E HN 0.502 8.866 8.360 0.008 0.000 0.439 90 K N 5.009 125.347 120.400 -0.104 0.000 2.228 90 K HA -0.094 4.157 4.320 -0.115 0.000 0.202 90 K C 0.385 176.970 176.600 -0.026 0.000 1.051 90 K CA 2.103 58.303 56.287 -0.146 0.000 0.960 90 K CB 0.487 32.753 32.500 -0.389 0.000 0.743 90 K HN 0.213 8.380 8.250 -0.139 0.000 0.458 91 A N -2.257 120.609 122.820 0.077 0.000 3.074 91 A HA 0.326 5.036 4.320 0.251 -0.240 0.251 91 A C -0.678 176.990 177.584 0.139 0.000 1.695 91 A CA -0.787 51.374 52.037 0.207 0.000 1.343 91 A CB -0.773 18.438 19.000 0.350 0.000 1.078 91 A HN -0.658 7.838 8.150 0.087 -0.294 0.644 92 T N -2.897 111.715 114.554 0.098 0.000 2.896 92 T HA 0.347 4.742 4.350 0.076 0.000 0.297 92 T C -1.571 173.174 174.700 0.075 0.000 1.108 92 T CA -1.969 60.174 62.100 0.073 0.000 1.004 92 T CB 1.075 69.969 68.868 0.044 0.000 1.159 92 T HN -0.623 7.597 8.240 0.087 0.072 0.499 93 P HA -0.028 4.441 4.420 0.082 0.000 0.222 93 P C -0.043 177.298 177.300 0.068 0.000 1.147 93 P CA 1.627 64.767 63.100 0.067 0.000 0.790 93 P CB 0.046 31.773 31.700 0.045 0.000 0.780 94 T N -8.287 106.292 114.554 0.042 0.000 3.086 94 T HA 0.063 4.428 4.350 0.026 0.000 0.250 94 T C 0.071 174.776 174.700 0.009 0.000 1.074 94 T CA -0.284 61.828 62.100 0.020 0.000 0.988 94 T CB -0.415 68.449 68.868 -0.006 0.000 0.988 94 T HN 0.043 8.271 8.240 0.033 0.032 0.530 95 S N 1.159 116.879 115.700 0.033 0.000 2.841 95 S HA 0.175 4.636 4.470 -0.015 0.000 0.274 95 S C -0.127 174.516 174.600 0.072 0.000 1.044 95 S CA -1.635 56.574 58.200 0.014 0.000 0.952 95 S CB 1.434 64.629 63.200 -0.009 0.000 1.331 95 S HN -0.557 7.737 8.310 0.055 0.049 0.610 96 R N -0.739 119.788 120.500 0.044 0.000 2.153 96 R HA 0.057 4.494 4.340 0.162 0.000 0.218 96 R C 0.253 176.672 176.300 0.198 0.000 1.072 96 R CA 1.012 57.178 56.100 0.109 0.000 0.990 96 R CB 0.438 30.738 30.300 -0.000 0.000 0.889 96 R HN 0.190 8.453 8.270 -0.011 0.000 0.452 97 S N -1.271 114.522 115.700 0.154 0.000 2.312 97 S HA 0.667 5.463 4.470 0.327 -0.130 0.173 97 S C -2.316 172.440 174.600 0.260 0.000 1.488 97 S CA -2.282 56.075 58.200 0.263 0.000 1.239 97 S CB 0.327 63.692 63.200 0.276 0.000 1.215 97 S HN -0.557 7.813 8.310 0.099 0.000 0.438 98 P HA -0.121 4.559 4.420 0.145 -0.172 0.218 98 P C -0.211 177.184 177.300 0.160 0.000 1.148 98 P CA 1.732 64.927 63.100 0.157 0.000 0.822 98 P CB 0.426 32.196 31.700 0.116 0.000 0.784 99 M N -4.981 114.720 119.600 0.167 0.000 2.655 99 M HA 0.147 4.685 4.480 0.096 0.000 0.311 99 M C -0.228 176.187 176.300 0.192 0.000 1.229 99 M CA -0.717 54.649 55.300 0.110 0.000 0.972 99 M CB -0.219 32.376 32.600 -0.007 0.000 1.366 99 M HN -0.196 8.531 8.290 0.180 -0.329 0.500 100 F N 2.599 122.646 119.950 0.163 0.000 2.126 100 F HA -0.436 4.302 4.527 0.352 0.000 0.299 100 F C 0.874 176.792 175.800 0.196 0.000 1.096 100 F CA 4.273 62.430 58.000 0.261 0.000 1.255 100 F CB 0.237 39.419 39.000 0.303 0.000 0.997 100 F HN -0.464 8.056 8.300 0.475 0.065 0.479 101 D N -2.241 118.254 120.400 0.158 0.000 2.123 101 D HA -0.405 4.194 4.640 -0.067 0.000 0.196 101 D C 1.981 178.265 176.300 -0.026 0.000 0.992 101 D CA 4.222 58.226 54.000 0.007 0.000 0.833 101 D CB -0.269 40.555 40.800 0.040 0.000 0.954 101 D HN 0.373 8.886 8.370 0.239 0.000 0.455 102 K N -0.651 119.760 120.400 0.019 0.000 2.057 102 K HA -0.240 4.103 4.320 0.038 0.000 0.206 102 K C 2.603 179.285 176.600 0.136 0.000 1.050 102 K CA 2.639 58.951 56.287 0.041 0.000 0.935 102 K CB -0.288 32.218 32.500 0.011 0.000 0.715 102 K HN -0.624 7.649 8.250 0.037 0.000 0.439 103 L N -1.503 119.766 121.223 0.075 0.000 2.179 103 L HA -0.087 4.372 4.340 0.198 0.000 0.208 103 L C 1.873 178.959 176.870 0.360 0.000 1.096 103 L CA 2.642 57.573 54.840 0.150 0.000 0.779 103 L CB 0.345 42.290 42.059 -0.191 0.000 0.922 103 L HN -0.561 7.680 8.230 0.019 0.000 0.443 104 I N -2.836 117.760 120.570 0.043 0.000 3.956 104 I HA -0.042 4.264 4.170 0.226 0.000 0.333 104 I C -1.643 174.400 176.117 -0.124 0.000 1.302 104 I CA -2.037 59.208 61.300 -0.092 0.000 1.122 104 I CB 0.541 38.057 38.000 -0.806 0.000 1.013 104 I HN -0.009 8.127 8.210 -0.125 0.000 0.405 105 A N 0.591 123.334 122.820 -0.128 0.000 2.580 105 A HA -0.246 3.958 4.320 -0.193 0.000 0.244 105 A C 0.603 178.059 177.584 -0.213 0.000 1.045 105 A CA 2.042 53.938 52.037 -0.236 0.000 0.761 105 A CB -0.405 18.427 19.000 -0.280 0.000 0.962 105 A HN -0.478 7.590 8.150 -0.046 0.054 0.512 106 G N 2.184 110.919 108.800 -0.109 0.000 2.253 106 G HA2 -0.240 3.735 3.960 0.025 0.000 0.209 106 G HA3 -0.240 3.830 3.960 0.182 0.000 0.209 106 G C -0.893 173.990 174.900 -0.029 0.000 0.997 106 G CA -0.116 45.008 45.100 0.040 0.000 0.640 106 G HN 0.398 8.613 8.290 -0.126 0.000 0.496 107 H N 1.781 120.578 119.070 -0.455 0.000 2.502 107 H HA 0.329 4.611 4.556 -0.458 0.000 0.338 107 H C 0.665 175.918 175.328 -0.126 0.000 1.155 107 H CA -0.945 54.758 56.048 -0.575 0.000 1.237 107 H CB 3.148 32.170 29.762 -1.234 0.000 1.534 107 H HN -0.248 7.788 8.280 -0.312 0.057 0.523 108 G N 4.198 112.755 108.800 -0.404 0.000 2.448 108 G HA2 -0.261 3.898 3.960 0.333 0.000 0.219 108 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 108 G C 1.479 176.634 174.900 0.426 0.000 1.127 108 G CA 1.726 46.895 45.100 0.114 0.000 0.766 108 G HN 0.695 8.382 8.290 -1.005 0.000 0.552 109 F N 1.990 122.123 119.950 0.305 0.000 2.408 109 F HA -0.132 4.551 4.527 0.261 0.000 0.300 109 F C 1.879 177.840 175.800 0.269 0.000 1.090 109 F CA 0.529 58.706 58.000 0.296 0.000 1.427 109 F CB -0.796 38.376 39.000 0.286 0.000 1.070 109 F HN -0.462 8.499 8.300 1.141 0.024 0.549 110 A N -0.396 122.569 122.820 0.242 0.000 2.076 110 A HA -0.259 4.109 4.320 0.079 0.000 0.220 110 A C 1.306 178.846 177.584 -0.073 0.000 1.160 110 A CA 2.275 54.316 52.037 0.005 0.000 0.653 110 A CB -0.751 18.113 19.000 -0.227 0.000 0.801 110 A HN -0.551 7.686 8.150 0.188 0.025 0.455 111 F N -3.326 116.692 119.950 0.113 0.000 2.259 111 F HA -0.154 4.417 4.527 0.074 0.000 0.298 111 F C 0.572 176.428 175.800 0.093 0.000 1.088 111 F CA 2.777 60.825 58.000 0.080 0.000 1.358 111 F CB 0.995 40.020 39.000 0.042 0.000 1.040 111 F HN -0.691 7.789 8.300 0.348 0.029 0.505 112 E N -2.866 117.487 120.200 0.255 0.000 2.552 112 E HA 0.080 4.722 4.350 0.193 -0.176 0.297 112 E C -2.386 174.316 176.600 0.170 0.000 1.038 112 E CA 0.179 56.692 56.400 0.188 0.000 0.856 112 E CB 2.150 31.933 29.700 0.139 0.000 1.222 112 E HN -0.774 7.747 8.360 0.269 0.000 0.422 113 H N 6.236 125.334 119.070 0.047 0.000 3.239 113 H HA 0.250 4.713 4.556 -0.155 0.000 0.320 113 H C -2.740 172.571 175.328 -0.029 0.000 1.074 113 H CA -0.748 55.275 56.048 -0.043 0.000 1.553 113 H CB 1.804 31.610 29.762 0.074 0.000 1.752 113 H HN 0.155 9.025 8.280 0.223 -0.456 0.513 114 A N 6.382 129.170 122.820 -0.054 0.000 2.264 114 A HA 0.441 4.857 4.320 -0.119 -0.168 0.304 114 A C -0.328 177.132 177.584 -0.207 0.000 1.100 114 A CA -1.227 50.742 52.037 -0.112 0.000 0.839 114 A CB 2.143 21.128 19.000 -0.025 0.000 1.121 114 A HN 0.120 8.287 8.150 0.028 0.000 0.496 115 E N 1.190 121.293 120.200 -0.162 0.000 2.404 115 E HA -0.013 4.229 4.350 -0.180 0.000 0.261 115 E C -1.477 175.081 176.600 -0.071 0.000 1.074 115 E CA -1.431 54.889 56.400 -0.133 0.000 0.917 115 E CB 0.029 29.677 29.700 -0.088 0.000 0.965 115 E HN -0.312 7.972 8.360 -0.126 0.000 0.433 116 P HA 0.027 4.442 4.420 -0.009 0.000 0.274 116 P C -1.642 175.631 177.300 -0.044 0.000 1.231 116 P CA 0.199 63.283 63.100 -0.026 0.000 0.790 116 P CB 0.842 32.533 31.700 -0.015 0.000 0.951 117 R N -0.743 119.742 120.500 -0.024 0.000 3.150 117 R HA 0.293 4.594 4.340 -0.065 0.000 0.236 117 R C -0.744 175.553 176.300 -0.005 0.000 1.469 117 R CA -1.797 54.286 56.100 -0.028 0.000 1.045 117 R CB 1.468 31.749 30.300 -0.032 0.000 1.481 117 R HN 0.033 8.304 8.270 0.002 0.000 0.506 118 S N -1.485 114.236 115.700 0.034 0.000 2.563 118 S HA 0.140 4.496 4.470 -0.191 0.000 0.284 118 S C 1.712 176.304 174.600 -0.013 0.000 1.331 118 S CA 0.745 58.907 58.200 -0.063 0.000 1.047 118 S CB 0.477 63.622 63.200 -0.091 0.000 0.859 118 S HN 0.216 8.571 8.310 0.075 0.000 0.514 119 H N 4.654 123.625 119.070 -0.164 0.000 2.426 119 H HA -0.353 4.175 4.556 -0.046 0.000 0.298 119 H C 2.094 177.294 175.328 -0.214 0.000 1.107 119 H CA 3.256 59.223 56.048 -0.135 0.000 1.298 119 H CB 0.076 29.811 29.762 -0.044 0.000 1.377 119 H HN 0.738 8.879 8.280 -0.232 0.000 0.519 120 A N -0.798 121.787 122.820 -0.392 0.000 1.997 120 A HA -0.268 3.830 4.320 -0.371 0.000 0.221 120 A C 0.813 178.147 177.584 -0.416 0.000 1.172 120 A CA 2.291 54.010 52.037 -0.530 0.000 0.645 120 A CB -0.546 17.927 19.000 -0.878 0.000 0.813 120 A HN 0.414 8.235 8.150 -0.519 0.018 0.454 121 F N -5.464 114.453 119.950 -0.056 0.000 2.732 121 F HA 0.127 4.645 4.527 -0.014 0.000 0.303 121 F C 0.879 176.651 175.800 -0.047 0.000 1.110 121 F CA 0.011 57.996 58.000 -0.025 0.000 1.355 121 F CB -0.410 38.591 39.000 0.002 0.000 1.081 121 F HN -0.761 7.468 8.300 -0.064 0.034 0.565 122 M N 0.217 119.859 119.600 0.070 0.000 2.117 122 M HA -0.353 4.149 4.480 0.038 0.000 0.262 122 M C 0.946 177.178 176.300 -0.114 0.000 1.065 122 M CA 4.699 59.997 55.300 -0.003 0.000 1.114 122 M CB -0.518 32.057 32.600 -0.042 0.000 1.361 122 M HN -0.436 7.829 8.290 0.041 0.051 0.408 123 L N -1.940 119.157 121.223 -0.210 0.000 2.044 123 L HA -0.176 3.846 4.340 -0.530 0.000 0.205 123 L C 1.088 177.635 176.870 -0.538 0.000 1.075 123 L CA 2.822 57.384 54.840 -0.464 0.000 0.747 123 L CB -0.278 41.487 42.059 -0.489 0.000 0.903 123 L HN -0.190 7.938 8.230 -0.169 0.000 0.435 124 V N -5.060 114.688 119.914 -0.276 0.000 2.407 124 V HA -0.465 3.480 4.120 -0.292 0.000 0.248 124 V C 1.796 177.788 176.094 -0.169 0.000 1.055 124 V CA 3.072 65.231 62.300 -0.235 0.000 1.049 124 V CB -1.037 30.707 31.823 -0.132 0.000 0.662 124 V HN -0.342 7.743 8.190 -0.175 0.000 0.455 125 D N 0.304 120.686 120.400 -0.029 0.000 2.144 125 D HA -0.257 4.396 4.640 0.023 0.000 0.200 125 D C 1.920 178.217 176.300 -0.006 0.000 0.978 125 D CA 3.407 57.417 54.000 0.015 0.000 0.833 125 D CB -0.568 40.272 40.800 0.066 0.000 0.961 125 D HN 0.046 8.425 8.370 0.015 0.000 0.470 126 H N 1.721 120.712 119.070 -0.132 0.000 2.352 126 H HA -0.289 4.251 4.556 -0.026 0.000 0.299 126 H C 2.076 177.469 175.328 0.109 0.000 1.097 126 H CA 3.316 59.309 56.048 -0.093 0.000 1.311 126 H CB 0.070 29.676 29.762 -0.261 0.000 1.377 126 H HN -0.615 7.663 8.280 -0.002 0.000 0.504 127 F N -4.507 115.355 119.950 -0.148 0.000 2.186 127 F HA -0.171 4.256 4.527 -0.166 0.000 0.299 127 F C 1.233 177.005 175.800 -0.047 0.000 1.090 127 F CA 1.938 59.820 58.000 -0.197 0.000 1.307 127 F CB 0.251 38.950 39.000 -0.502 0.000 1.019 127 F HN -0.461 7.638 8.300 -0.200 0.080 0.489 128 V N -8.981 110.954 119.914 0.036 0.000 3.590 128 V HA 0.233 4.522 4.120 0.018 -0.158 0.265 128 V C 0.280 176.388 176.094 0.023 0.000 1.239 128 V CA -0.942 61.343 62.300 -0.024 0.000 1.117 128 V CB -0.054 31.633 31.823 -0.226 0.000 0.818 128 V HN -0.768 7.405 8.190 -0.029 0.000 0.451 129 V N 1.417 121.350 119.914 0.031 0.000 2.872 129 V HA -0.281 3.864 4.120 0.043 0.000 0.307 129 V C 0.694 176.812 176.094 0.040 0.000 1.072 129 V CA 1.340 63.658 62.300 0.031 0.000 1.148 129 V CB 0.643 32.467 31.823 0.003 0.000 0.954 129 V HN -0.621 7.582 8.190 0.021 0.000 0.490 130 D N 6.706 127.142 120.400 0.060 0.000 2.310 130 D HA -0.179 4.497 4.640 0.060 0.000 0.212 130 D C 1.580 177.900 176.300 0.033 0.000 0.965 130 D CA 3.443 57.486 54.000 0.071 0.000 0.879 130 D CB -0.091 40.787 40.800 0.129 0.000 0.921 130 D HN 0.200 8.952 8.370 0.072 -0.339 0.510 131 R N -3.566 116.946 120.500 0.019 0.000 2.297 131 R HA -0.084 4.232 4.340 -0.041 0.000 0.197 131 R C 0.214 176.449 176.300 -0.110 0.000 0.943 131 R CA 2.077 58.161 56.100 -0.025 0.000 1.038 131 R CB -0.633 29.670 30.300 0.006 0.000 0.957 131 R HN 0.061 8.303 8.270 0.017 0.038 0.484 132 A N -0.593 122.160 122.820 -0.111 0.000 1.909 132 A HA 0.077 4.225 4.320 -0.286 0.000 0.209 132 A C -0.369 176.963 177.584 -0.419 0.000 1.247 132 A CA 1.895 53.776 52.037 -0.259 0.000 0.660 132 A CB 1.491 20.358 19.000 -0.221 0.000 0.910 132 A HN -0.556 7.508 8.150 -0.055 0.053 0.465 133 Y N -4.162 116.094 120.300 -0.073 0.000 2.721 133 Y HA 0.392 5.078 4.550 -0.071 -0.179 0.251 133 Y C 0.429 176.270 175.900 -0.099 0.000 1.136 133 Y CA -1.773 56.266 58.100 -0.102 0.000 1.142 133 Y CB 0.703 39.053 38.460 -0.183 0.000 1.212 133 Y HN -0.334 8.005 8.280 0.098 0.000 0.565 134 G N 0.143 108.955 108.800 0.021 0.000 2.203 134 G HA2 -0.473 3.465 3.960 -0.036 0.000 0.263 134 G HA3 -0.473 3.748 3.960 0.077 -0.215 0.263 134 G C -0.054 174.920 174.900 0.124 0.000 1.012 134 G CA 0.891 46.017 45.100 0.043 0.000 0.749 134 G HN 0.307 8.573 8.290 -0.040 0.000 0.512 135 G N -3.278 105.555 108.800 0.055 0.000 2.162 135 G HA2 -0.476 3.487 3.960 0.005 0.000 0.260 135 G HA3 -0.476 3.520 3.960 0.060 0.000 0.260 135 G C 0.175 174.987 174.900 -0.147 0.000 0.976 135 G CA 0.438 45.548 45.100 0.016 0.000 0.655 135 G HN 0.128 8.420 8.290 0.043 0.025 0.533 136 R N -0.559 119.746 120.500 -0.324 0.000 2.091 136 R HA -0.272 3.228 4.340 -1.400 0.000 0.238 136 R C -0.682 175.206 176.300 -0.687 0.000 1.136 136 R CA 2.977 58.529 56.100 -0.913 0.000 0.959 136 R CB 0.760 30.416 30.300 -1.073 0.000 0.856 136 R HN -0.430 7.576 8.270 -0.188 0.151 0.437 137 F N -5.188 114.606 119.950 -0.259 0.000 2.421 137 F HA 0.958 5.570 4.527 -0.240 -0.229 0.337 137 F C -0.366 175.285 175.800 -0.247 0.000 1.105 137 F CA -2.361 55.486 58.000 -0.254 0.000 1.049 137 F CB 0.948 39.767 39.000 -0.303 0.000 1.139 137 F HN -0.298 7.765 8.300 -0.394 0.000 0.479 138 Q N -0.778 118.981 119.800 -0.069 0.000 2.456 138 Q HA 0.388 4.591 4.340 -0.227 0.000 0.284 138 Q C -1.241 174.603 176.000 -0.260 0.000 1.061 138 Q CA -1.764 53.925 55.803 -0.189 0.000 0.799 138 Q CB 4.489 33.136 28.738 -0.152 0.000 1.445 138 Q HN 0.203 8.457 8.270 -0.027 0.000 0.411 139 F N 0.467 120.283 119.950 -0.222 0.000 2.553 139 F HA -0.144 4.436 4.527 -0.150 -0.143 0.356 139 F C 1.839 177.530 175.800 -0.183 0.000 1.142 139 F CA 2.003 59.880 58.000 -0.205 0.000 1.322 139 F CB 0.256 39.100 39.000 -0.259 0.000 1.126 139 F HN 0.375 8.551 8.300 -0.206 0.000 0.599 140 K N 1.662 122.117 120.400 0.091 0.000 2.152 140 K HA -0.371 3.959 4.320 0.018 0.000 0.206 140 K C -0.338 176.274 176.600 0.021 0.000 1.048 140 K CA 2.616 58.927 56.287 0.041 0.000 0.933 140 K CB 0.330 32.865 32.500 0.058 0.000 0.721 140 K HN 0.409 8.745 8.250 0.144 0.000 0.447 141 N N -5.596 113.116 118.700 0.021 0.000 3.020 141 N HA 0.042 4.769 4.740 -0.022 0.000 0.248 141 N C -0.529 174.963 175.510 -0.030 0.000 1.480 141 N CA -1.255 51.801 53.050 0.010 0.000 0.874 141 N CB 0.344 38.878 38.487 0.079 0.000 1.433 141 N HN -0.747 7.662 8.380 0.051 0.001 0.530 142 W N -1.636 119.670 121.300 0.010 0.000 2.699 142 W HA -0.093 4.532 4.660 -0.059 0.000 0.249 142 W C 1.720 178.176 176.519 -0.104 0.000 1.280 142 W CA 2.227 59.544 57.345 -0.047 0.000 1.345 142 W CB 0.137 29.578 29.460 -0.031 0.000 1.128 142 W HN 0.491 8.889 8.180 0.363 0.000 0.642 143 Q N -0.516 119.347 119.800 0.106 0.000 2.230 143 Q HA -0.271 4.086 4.340 0.028 0.000 0.202 143 Q C 1.994 177.961 176.000 -0.056 0.000 0.963 143 Q CA 2.779 58.598 55.803 0.027 0.000 0.866 143 Q CB -0.426 28.333 28.738 0.035 0.000 0.931 143 Q HN -0.276 8.236 8.270 0.120 -0.170 0.452 144 K N -1.691 118.647 120.400 -0.103 0.000 2.439 144 K HA -0.069 4.225 4.320 -0.043 0.000 0.197 144 K C 1.779 178.130 176.600 -0.415 0.000 1.041 144 K CA 1.219 57.425 56.287 -0.135 0.000 0.970 144 K CB -0.740 31.777 32.500 0.028 0.000 0.773 144 K HN -0.538 7.739 8.250 -0.078 -0.074 0.479 145 V N -5.875 113.637 119.914 -0.670 0.000 2.867 145 V HA -0.202 3.042 4.120 -1.459 0.000 0.260 145 V C 1.000 176.840 176.094 -0.424 0.000 1.099 145 V CA 2.969 64.747 62.300 -0.871 0.000 1.122 145 V CB -1.622 29.821 31.823 -0.633 0.000 0.708 145 V HN -0.453 7.375 8.190 -0.518 0.050 0.490 146 T N -5.726 108.740 114.554 -0.147 0.000 3.081 146 T HA -0.145 4.250 4.350 0.075 0.000 0.255 146 T C 0.262 175.115 174.700 0.254 0.000 1.113 146 T CA 1.045 63.182 62.100 0.062 0.000 1.082 146 T CB -0.091 68.805 68.868 0.047 0.000 0.939 146 T HN -0.556 7.559 8.240 -0.142 0.040 0.506 147 D N 3.721 124.255 120.400 0.223 0.000 2.522 147 D HA 0.168 4.884 4.640 0.127 0.000 0.218 147 D C 0.681 177.062 176.300 0.134 0.000 1.149 147 D CA -1.579 52.522 54.000 0.169 0.000 0.981 147 D CB -0.377 40.486 40.800 0.105 0.000 1.041 147 D HN -0.544 7.766 8.370 0.153 0.152 0.518 148 G N 2.965 111.732 108.800 -0.055 0.000 2.404 148 G HA2 -0.339 2.959 3.960 -1.103 0.000 0.215 148 G HA3 -0.339 3.230 3.960 -0.652 0.000 0.215 148 G C 0.825 175.536 174.900 -0.314 0.000 1.174 148 G CA 2.322 47.077 45.100 -0.575 0.000 0.780 148 G HN -0.230 8.079 8.290 0.032 0.000 0.537 149 M N 2.088 121.599 119.600 -0.148 0.000 2.108 149 M HA -0.242 4.194 4.480 -0.074 0.000 0.261 149 M C 2.020 178.319 176.300 -0.001 0.000 1.066 149 M CA 1.629 56.896 55.300 -0.055 0.000 1.107 149 M CB -0.446 32.159 32.600 0.008 0.000 1.356 149 M HN -0.071 8.153 8.290 -0.110 0.000 0.406 150 G N -2.425 106.381 108.800 0.011 0.000 2.421 150 G HA2 -0.386 3.604 3.960 0.050 0.000 0.216 150 G HA3 -0.386 3.767 3.960 0.054 -0.160 0.216 150 G C 0.518 175.434 174.900 0.028 0.000 1.171 150 G CA 1.841 46.965 45.100 0.040 0.000 0.775 150 G HN -0.244 8.349 8.290 0.011 -0.297 0.543 151 A N 1.715 124.537 122.820 0.004 0.000 1.908 151 A HA -0.277 4.038 4.320 -0.008 0.000 0.218 151 A C 1.925 179.489 177.584 -0.035 0.000 1.181 151 A CA 2.864 54.888 52.037 -0.020 0.000 0.627 151 A CB -0.462 18.522 19.000 -0.026 0.000 0.818 151 A HN -0.459 7.689 8.150 -0.004 0.000 0.445 152 V N -1.434 118.460 119.914 -0.033 0.000 2.427 152 V HA -0.399 3.765 4.120 0.073 0.000 0.248 152 V C 2.339 178.539 176.094 0.176 0.000 1.051 152 V CA 3.556 65.895 62.300 0.065 0.000 1.048 152 V CB -0.851 31.003 31.823 0.052 0.000 0.666 152 V HN -0.420 7.722 8.190 -0.079 0.000 0.456 153 R N -2.265 118.320 120.500 0.143 0.000 2.096 153 R HA -0.222 4.240 4.340 0.204 0.000 0.235 153 R C 0.817 177.228 176.300 0.185 0.000 1.127 153 R CA 2.086 58.290 56.100 0.172 0.000 0.968 153 R CB 0.954 31.321 30.300 0.112 0.000 0.861 153 R HN -0.275 8.055 8.270 0.100 0.000 0.440 154 G N -6.693 102.147 108.800 0.067 0.000 2.380 154 G HA2 0.007 4.077 3.960 -0.129 0.000 0.305 154 G HA3 0.007 3.934 3.960 -0.054 0.000 0.305 154 G C -1.526 173.280 174.900 -0.157 0.000 1.672 154 G CA 0.013 45.074 45.100 -0.065 0.000 0.904 154 G HN -0.631 7.685 8.290 0.042 0.000 0.686 155 A N 3.244 125.862 122.820 -0.337 0.000 1.917 155 A HA -0.213 3.869 4.320 -0.396 0.000 0.219 155 A C 1.180 178.348 177.584 -0.693 0.000 1.182 155 A CA 3.183 54.875 52.037 -0.575 0.000 0.633 155 A CB 0.138 18.653 19.000 -0.809 0.000 0.819 155 A HN 0.373 8.208 8.150 -0.350 0.105 0.448 156 W N -7.668 113.556 121.300 -0.127 0.000 3.180 156 W HA -0.012 4.527 4.660 -0.201 0.000 0.254 156 W C 0.705 177.174 176.519 -0.085 0.000 1.318 156 W CA -0.267 56.985 57.345 -0.156 0.000 1.608 156 W CB -0.582 28.766 29.460 -0.187 0.000 1.124 156 W HN -0.149 7.774 8.180 -0.406 0.015 0.694 157 T N -5.246 109.332 114.554 0.041 0.000 3.055 157 T HA -0.033 4.361 4.350 0.074 0.000 0.265 157 T C 0.713 175.440 174.700 0.045 0.000 1.111 157 T CA 1.428 63.559 62.100 0.052 0.000 1.118 157 T CB 0.061 68.957 68.868 0.048 0.000 0.909 157 T HN -0.357 7.722 8.240 -0.016 0.151 0.501 158 V N -5.992 113.929 119.914 0.011 0.000 3.502 158 V HA 0.281 4.458 4.120 0.096 0.000 0.288 158 V C -1.514 174.601 176.094 0.035 0.000 1.461 158 V CA -0.084 62.260 62.300 0.073 0.000 1.029 158 V CB 1.053 32.980 31.823 0.174 0.000 0.843 158 V HN -0.551 7.573 8.190 -0.054 0.033 0.438 159 L N -0.941 120.223 121.223 -0.097 0.000 2.322 159 L HA 0.841 5.230 4.340 -0.174 -0.153 0.269 159 L C 0.131 177.031 176.870 0.051 0.000 1.012 159 L CA -1.706 53.040 54.840 -0.157 0.000 0.815 159 L CB 3.165 44.938 42.059 -0.477 0.000 1.295 159 L HN -0.673 7.492 8.230 -0.109 0.000 0.438 160 T N -4.444 110.140 114.554 0.049 0.000 2.924 160 T HA 0.337 4.750 4.350 0.106 0.000 0.291 160 T C -2.298 172.492 174.700 0.151 0.000 1.045 160 T CA -1.887 60.265 62.100 0.086 0.000 1.015 160 T CB 2.708 71.585 68.868 0.015 0.000 1.103 160 T HN 0.576 8.809 8.240 -0.012 0.000 0.496 161 D N 0.813 121.261 120.400 0.079 0.000 2.344 161 D HA 0.258 5.110 4.640 0.140 -0.128 0.239 161 D C 0.141 176.347 176.300 -0.157 0.000 1.064 161 D CA -1.959 52.060 54.000 0.032 0.000 0.829 161 D CB 2.559 43.355 40.800 -0.006 0.000 1.129 161 D HN 0.079 8.462 8.370 0.022 0.000 0.506 162 A N 5.011 127.612 122.820 -0.365 0.000 2.019 162 A HA -0.216 3.963 4.320 -0.234 0.000 0.219 162 A C 0.119 177.559 177.584 -0.240 0.000 1.164 162 A CA 1.688 53.488 52.037 -0.395 0.000 0.644 162 A CB 0.519 19.047 19.000 -0.787 0.000 0.805 162 A HN 0.414 8.261 8.150 -0.505 0.000 0.449 163 D N -4.678 115.583 120.400 -0.230 0.000 2.527 163 D HA 0.413 5.044 4.640 -0.015 0.000 0.242 163 D C -2.207 174.066 176.300 -0.045 0.000 1.285 163 D CA -1.913 52.064 54.000 -0.038 0.000 0.886 163 D CB 0.892 41.784 40.800 0.153 0.000 1.402 163 D HN -0.544 7.908 8.370 -0.316 -0.272 0.528 164 P HA -0.007 4.499 4.420 -0.089 -0.139 0.226 164 P C -0.203 177.078 177.300 -0.033 0.000 1.146 164 P CA 1.087 64.147 63.100 -0.066 0.000 0.773 164 P CB 0.350 32.004 31.700 -0.078 0.000 0.772 165 E N -4.199 115.997 120.200 -0.007 0.000 2.489 165 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 165 E C -0.214 176.398 176.600 0.021 0.000 1.057 165 E CA -0.335 56.069 56.400 0.006 0.000 0.866 165 E CB 0.173 29.880 29.700 0.011 0.000 0.916 165 E HN -0.232 8.311 8.360 0.000 -0.182 0.500 166 S N -2.052 113.668 115.700 0.034 0.000 2.570 166 S HA 0.413 4.907 4.470 0.040 0.000 0.286 166 S C -0.690 173.942 174.600 0.053 0.000 1.099 166 S CA -1.206 57.023 58.200 0.048 0.000 0.913 166 S CB 2.679 65.919 63.200 0.066 0.000 1.085 166 S HN -0.535 7.754 8.310 0.034 0.042 0.480 167 S N -0.881 114.855 115.700 0.061 0.000 2.730 167 S HA 0.159 4.672 4.470 0.072 0.000 0.244 167 S C -1.252 173.402 174.600 0.091 0.000 1.022 167 S CA -0.220 58.026 58.200 0.077 0.000 1.014 167 S CB 0.653 63.907 63.200 0.090 0.000 0.963 167 S HN 0.425 8.769 8.310 0.057 0.000 0.540 168 D N -0.044 120.400 120.400 0.074 0.000 2.304 168 D HA -0.075 4.607 4.640 0.069 0.000 0.247 168 D C -0.699 175.645 176.300 0.073 0.000 1.089 168 D CA -0.816 53.221 54.000 0.062 0.000 0.910 168 D CB 0.927 41.743 40.800 0.027 0.000 1.199 168 D HN -0.626 7.784 8.370 0.066 0.000 0.426 169 Q N 0.295 120.133 119.800 0.063 0.000 2.281 169 Q HA -0.062 4.331 4.340 0.089 0.000 0.267 169 Q C -0.420 175.577 176.000 -0.005 0.000 1.053 169 Q CA 0.759 56.593 55.803 0.051 0.000 0.905 169 Q CB 0.153 28.907 28.738 0.026 0.000 1.195 169 Q HN 0.382 8.688 8.270 0.060 0.000 0.398 170 R N 3.241 123.733 120.500 -0.014 0.000 2.752 170 R HA 0.374 4.643 4.340 -0.119 0.000 0.271 170 R C -0.956 175.247 176.300 -0.162 0.000 1.026 170 R CA -1.393 54.623 56.100 -0.139 0.000 0.901 170 R CB 1.120 31.266 30.300 -0.256 0.000 1.243 170 R HN 0.328 8.637 8.270 0.066 0.000 0.463 171 R N 1.826 122.197 120.500 -0.215 0.000 2.267 171 R HA 0.300 4.640 4.340 0.000 0.000 0.319 171 R C -0.545 175.584 176.300 -0.286 0.000 1.067 171 R CA 0.209 56.218 56.100 -0.152 0.000 0.936 171 R CB 0.609 30.834 30.300 -0.125 0.000 1.006 171 R HN 0.410 nan 8.270 nan 0.000 0.452 172 F N 3.239 123.148 119.950 -0.068 0.000 2.582 172 F HA 0.016 4.516 4.527 -0.045 0.000 0.290 172 F C -0.022 175.762 175.800 -0.026 0.000 1.115 172 F CA 1.407 59.377 58.000 -0.051 0.000 1.445 172 F CB 1.094 40.054 39.000 -0.067 0.000 1.126 172 F HN 0.727 9.108 8.300 0.316 0.109 0.574 173 L N -2.016 119.296 121.223 0.148 0.000 2.342 173 L HA 0.392 4.788 4.340 0.093 0.000 0.271 173 L C 0.299 177.204 176.870 0.058 0.000 1.008 173 L CA -1.358 53.540 54.840 0.097 0.000 0.818 173 L CB 2.399 44.520 42.059 0.103 0.000 1.296 173 L HN -0.698 7.623 8.230 0.152 0.000 0.427 174 S N 0.264 116.001 115.700 0.061 0.000 2.368 174 S HA -0.205 4.284 4.470 0.031 0.000 0.225 174 S C 1.021 175.676 174.600 0.092 0.000 1.030 174 S CA 2.152 60.386 58.200 0.056 0.000 0.999 174 S CB -0.075 63.162 63.200 0.061 0.000 0.844 174 S HN 0.298 8.650 8.310 0.069 0.000 0.459 175 Q N 1.986 121.869 119.800 0.139 0.000 2.923 175 Q HA 0.294 4.856 4.340 0.370 0.000 0.363 175 Q C -1.316 174.848 176.000 0.274 0.000 1.159 175 Q CA -0.865 55.103 55.803 0.275 0.000 1.073 175 Q CB -1.524 27.360 28.738 0.244 0.000 1.364 175 Q HN 0.528 8.873 8.270 0.126 0.000 0.466 176 T N -5.501 109.055 114.554 0.002 0.000 2.887 176 T HA 0.564 4.965 4.350 -0.080 -0.100 0.292 176 T C -2.251 172.020 174.700 -0.715 0.000 1.087 176 T CA -1.791 60.192 62.100 -0.196 0.000 1.009 176 T CB 3.771 72.599 68.868 -0.067 0.000 1.203 176 T HN -0.712 7.435 8.240 -0.055 0.060 0.518 177 A N -1.772 120.675 122.820 -0.622 0.000 2.486 177 A HA 0.412 4.358 4.320 -0.624 0.000 0.289 177 A C -1.905 175.505 177.584 -0.289 0.000 1.176 177 A CA -1.250 50.425 52.037 -0.603 0.000 0.757 177 A CB 2.589 21.190 19.000 -0.666 0.000 1.337 177 A HN 0.115 8.032 8.150 -0.389 0.000 0.423 178 T N -4.017 110.398 114.554 -0.232 0.000 3.416 178 T HA 0.303 4.603 4.350 -0.198 -0.070 0.245 178 T C 0.030 174.626 174.700 -0.172 0.000 1.081 178 T CA -1.090 60.901 62.100 -0.182 0.000 1.190 178 T CB -1.692 67.102 68.868 -0.124 0.000 1.068 178 T HN 0.015 8.114 8.240 -0.236 0.000 0.580 179 A N 1.509 124.227 122.820 -0.169 0.000 2.067 179 A HA -0.068 4.208 4.320 -0.073 0.000 0.217 179 A C -0.325 177.205 177.584 -0.090 0.000 1.156 179 A CA 1.071 53.051 52.037 -0.095 0.000 0.683 179 A CB 0.023 19.005 19.000 -0.030 0.000 0.808 179 A HN -0.135 7.907 8.150 -0.180 0.000 0.455 180 A N -2.182 120.485 122.820 -0.254 0.000 2.498 180 A HA -0.144 4.150 4.320 -0.043 0.000 0.239 180 A C -0.831 176.714 177.584 -0.065 0.000 1.068 180 A CA 0.471 52.363 52.037 -0.242 0.000 0.766 180 A CB 0.618 19.086 19.000 -0.886 0.000 1.003 180 A HN -0.457 7.324 8.150 -0.388 0.135 0.497 181 N N 1.640 120.397 118.700 0.095 0.000 2.732 181 N HA 0.292 5.128 4.740 0.159 0.000 0.259 181 N C -1.660 173.997 175.510 0.245 0.000 1.402 181 N CA -1.720 51.428 53.050 0.163 0.000 0.829 181 N CB -0.052 38.523 38.487 0.146 0.000 1.495 181 N HN -0.619 7.847 8.380 0.143 0.000 0.511 182 P HA -0.139 4.627 4.420 0.577 0.000 0.219 182 P C 0.603 178.057 177.300 0.256 0.000 1.146 182 P CA 1.972 65.316 63.100 0.406 0.000 0.808 182 P CB 0.135 32.047 31.700 0.353 0.000 0.779 183 V N -2.017 118.053 119.914 0.260 0.000 2.407 183 V HA -0.446 3.778 4.120 0.173 0.000 0.248 183 V C 1.942 178.045 176.094 0.015 0.000 1.055 183 V CA 3.924 66.336 62.300 0.186 0.000 1.049 183 V CB -1.087 30.895 31.823 0.266 0.000 0.662 183 V HN -0.249 8.302 8.190 0.280 -0.193 0.455 184 C N -0.308 119.014 119.300 0.037 0.000 2.391 184 C HA -0.331 4.088 4.460 -0.068 0.000 0.276 184 C C 2.154 176.949 174.990 -0.325 0.000 1.217 184 C CA 3.550 62.513 59.018 -0.091 0.000 1.766 184 C CB -2.158 25.585 27.740 0.004 0.000 2.046 184 C HN -0.483 7.958 8.230 0.114 -0.143 0.475 185 L N -1.980 119.019 121.223 -0.373 0.000 2.265 185 L HA -0.293 3.640 4.340 -0.678 0.000 0.215 185 L C 2.405 179.022 176.870 -0.422 0.000 1.117 185 L CA 2.239 56.748 54.840 -0.552 0.000 0.782 185 L CB -1.601 40.019 42.059 -0.732 0.000 0.914 185 L HN -0.475 7.584 8.230 -0.247 0.023 0.441 186 N N -1.021 117.479 118.700 -0.335 0.000 2.364 186 N HA -0.221 4.489 4.740 -0.050 0.000 0.183 186 N C 0.321 175.726 175.510 -0.175 0.000 1.022 186 N CA 3.116 56.054 53.050 -0.186 0.000 0.883 186 N CB 0.122 38.493 38.487 -0.193 0.000 0.965 186 N HN -0.441 7.707 8.380 -0.341 0.028 0.438 187 C N -4.037 115.118 119.300 -0.242 0.000 2.780 187 C HA 0.187 4.519 4.460 -0.214 0.000 0.287 187 C C 0.364 175.178 174.990 -0.292 0.000 1.288 187 C CA -0.850 58.014 59.018 -0.256 0.000 1.713 187 C CB -1.352 26.206 27.740 -0.304 0.000 1.955 187 C HN -0.399 7.634 8.230 -0.280 0.029 0.613 188 K N -2.979 117.227 120.400 -0.322 0.000 2.436 188 K HA 0.274 4.414 4.320 -0.300 0.000 0.198 188 K C -0.988 175.442 176.600 -0.285 0.000 1.174 188 K CA -0.530 55.551 56.287 -0.343 0.000 0.951 188 K CB 2.458 34.652 32.500 -0.510 0.000 1.040 188 K HN -0.125 7.757 8.250 -0.326 0.172 0.536 189 T N -1.080 113.336 114.554 -0.231 0.000 2.786 189 T HA 0.339 4.586 4.350 -0.172 0.000 0.316 189 T C -2.458 172.213 174.700 -0.049 0.000 1.503 189 T CA -0.114 61.896 62.100 -0.150 0.000 1.019 189 T CB 2.129 70.912 68.868 -0.141 0.000 1.415 189 T HN -0.386 7.727 8.240 -0.213 0.000 0.496 190 Q N 0.668 120.424 119.800 -0.074 0.000 2.115 190 Q HA 0.457 4.612 4.340 -0.309 0.000 0.249 190 Q C 0.391 176.452 176.000 0.101 0.000 0.830 190 Q CA -0.978 54.763 55.803 -0.104 0.000 1.104 190 Q CB 1.061 29.752 28.738 -0.079 0.000 1.207 190 Q HN 0.421 8.996 8.270 -0.118 -0.376 0.464 191 D N 0.959 121.485 120.400 0.209 0.000 2.221 191 D HA -0.245 4.607 4.640 0.354 0.000 0.204 191 D C -0.158 176.324 176.300 0.305 0.000 0.982 191 D CA 3.015 57.191 54.000 0.293 0.000 0.857 191 D CB -0.077 40.864 40.800 0.236 0.000 0.934 191 D HN -0.384 8.092 8.370 0.178 0.000 0.475 192 H N -7.146 112.047 119.070 0.204 0.000 2.524 192 H HA 0.075 4.874 4.556 0.406 0.000 0.280 192 H C 0.591 176.103 175.328 0.308 0.000 1.018 192 H CA -1.190 55.060 56.048 0.337 0.000 1.165 192 H CB -1.712 28.323 29.762 0.456 0.000 1.411 192 H HN -0.230 8.304 8.280 0.476 0.031 0.569 193 I N 1.680 122.197 120.570 -0.089 0.000 2.335 193 I HA -0.387 3.670 4.170 -0.189 0.000 0.251 193 I C -0.544 175.622 176.117 0.082 0.000 1.129 193 I CA 3.079 64.333 61.300 -0.076 0.000 1.402 193 I CB 0.085 38.069 38.000 -0.027 0.000 1.069 193 I HN -0.600 7.514 8.210 -0.040 0.071 0.424 194 L N -5.799 115.522 121.223 0.162 0.000 2.607 194 L HA -0.058 4.452 4.340 0.284 0.000 0.228 194 L C -0.278 176.845 176.870 0.422 0.000 1.123 194 L CA 0.207 55.200 54.840 0.254 0.000 0.890 194 L CB -0.507 41.638 42.059 0.144 0.000 1.103 194 L HN -0.180 8.126 8.230 0.162 0.021 0.468 195 D N -2.883 117.791 120.400 0.457 0.000 2.503 195 D HA 0.256 5.164 4.640 0.446 0.000 0.218 195 D C -2.122 174.535 176.300 0.595 0.000 1.183 195 D CA 0.233 54.541 54.000 0.513 0.000 0.827 195 D CB 2.463 43.589 40.800 0.542 0.000 1.034 195 D HN -0.187 8.275 8.370 0.441 0.173 0.510 196 W N -0.040 121.405 121.300 0.242 0.000 2.830 196 W HA 0.506 5.444 4.660 0.167 -0.178 0.335 196 W C -2.845 173.513 176.519 -0.269 0.000 1.043 196 W CA -1.690 55.729 57.345 0.123 0.000 1.239 196 W CB 2.921 32.572 29.460 0.319 0.000 1.378 196 W HN -0.952 7.493 8.180 0.442 0.000 0.456 197 A N 5.857 128.351 122.820 -0.543 0.000 2.332 197 A HA 0.063 3.796 4.320 -1.197 -0.130 0.258 197 A C -0.813 176.482 177.584 -0.482 0.000 1.087 197 A CA -1.010 50.607 52.037 -0.700 0.000 0.802 197 A CB 1.919 20.740 19.000 -0.298 0.000 1.042 197 A HN 0.442 8.318 8.150 -0.456 0.000 0.489 198 Y N 2.502 122.579 120.300 -0.371 0.000 2.881 198 Y HA -0.475 4.032 4.550 -0.071 0.000 0.335 198 Y C 0.330 176.131 175.900 -0.165 0.000 1.263 198 Y CA 2.705 60.708 58.100 -0.162 0.000 1.572 198 Y CB 0.375 38.774 38.460 -0.100 0.000 1.237 198 Y HN -0.082 8.103 8.280 -0.158 0.000 0.568 199 M N 3.911 123.245 119.600 -0.443 0.000 2.931 199 M HA -0.494 3.914 4.480 -0.262 -0.086 0.190 199 M C 0.702 176.843 176.300 -0.265 0.000 0.626 199 M CA 0.712 55.806 55.300 -0.344 0.000 0.722 199 M CB -2.246 30.108 32.600 -0.410 0.000 2.597 199 M HN 0.361 8.623 8.290 -0.370 -0.194 0.299 200 G N -2.736 105.611 108.800 -0.754 0.000 2.147 200 G HA2 -0.515 2.060 3.960 -2.375 0.000 0.244 200 G HA3 -0.515 2.684 3.960 -1.268 0.000 0.244 200 G C -0.987 173.522 174.900 -0.652 0.000 1.005 200 G CA 0.191 44.470 45.100 -1.370 0.000 0.713 200 G HN 0.471 8.060 8.290 -0.880 0.173 0.515 201 D N 0.657 120.821 120.400 -0.394 0.000 2.378 201 D HA -0.027 4.518 4.640 -0.159 0.000 0.238 201 D C -0.350 175.861 176.300 -0.148 0.000 1.180 201 D CA 0.621 54.508 54.000 -0.189 0.000 0.895 201 D CB 0.600 41.353 40.800 -0.078 0.000 1.192 201 D HN -0.866 7.243 8.370 -0.375 0.035 0.438 202 E N 1.087 121.243 120.200 -0.074 0.000 2.413 202 E HA -0.103 4.226 4.350 -0.034 0.000 0.263 202 E C -1.003 175.634 176.600 0.062 0.000 1.015 202 E CA 1.467 57.852 56.400 -0.024 0.000 0.916 202 E CB 0.268 29.953 29.700 -0.025 0.000 0.947 202 E HN 0.211 8.530 8.360 -0.068 0.000 0.440 203 H N 5.727 124.791 119.070 -0.010 0.000 3.087 203 H HA 0.317 4.897 4.556 0.040 0.000 0.348 203 H C 0.637 175.985 175.328 0.034 0.000 1.092 203 H CA -0.185 55.892 56.048 0.050 0.000 1.285 203 H CB 2.867 32.725 29.762 0.160 0.000 1.875 203 H HN -0.073 8.280 8.280 0.121 0.000 0.512 204 E N 7.687 127.944 120.200 0.094 0.000 2.171 204 E HA -0.326 4.044 4.350 0.034 0.000 0.197 204 E C -0.370 176.308 176.600 0.129 0.000 0.997 204 E CA 2.306 58.755 56.400 0.081 0.000 0.810 204 E CB -0.643 29.050 29.700 -0.012 0.000 0.738 204 E HN 0.644 8.918 8.360 -0.143 0.000 0.467 205 A N -1.896 121.099 122.820 0.292 0.000 2.275 205 A HA 0.079 4.336 4.320 -0.106 0.000 0.212 205 A C -0.631 176.911 177.584 -0.071 0.000 1.201 205 A CA -0.094 51.889 52.037 -0.089 0.000 0.843 205 A CB 0.522 19.207 19.000 -0.525 0.000 0.873 205 A HN -0.472 8.138 8.150 0.808 0.025 0.492 206 A N -1.615 121.312 122.820 0.178 0.000 2.260 206 A HA 0.122 4.645 4.320 0.337 0.000 0.308 206 A C -0.545 177.049 177.584 0.016 0.000 1.254 206 A CA -0.761 51.413 52.037 0.228 0.000 0.874 206 A CB 0.395 19.538 19.000 0.238 0.000 1.153 206 A HN -0.666 7.463 8.150 0.243 0.166 0.527 207 K N 5.367 125.711 120.400 -0.094 0.000 2.097 207 K HA -0.129 3.941 4.320 -0.416 0.000 0.205 207 K C 0.129 176.357 176.600 -0.619 0.000 1.050 207 K CA 1.950 57.956 56.287 -0.468 0.000 0.938 207 K CB 0.570 32.670 32.500 -0.667 0.000 0.718 207 K HN 0.363 8.609 8.250 -0.006 0.000 0.442 208 W N -4.928 116.411 121.300 0.064 0.000 2.864 208 W HA 0.219 4.808 4.660 -0.118 0.000 0.343 208 W C -1.492 174.967 176.519 -0.100 0.000 1.109 208 W CA -2.211 55.088 57.345 -0.077 0.000 1.192 208 W CB 2.530 31.804 29.460 -0.308 0.000 1.426 208 W HN -0.617 7.616 8.180 0.121 0.019 0.529 209 S N -1.121 114.632 115.700 0.088 0.000 2.672 209 S HA 0.460 4.454 4.470 -0.794 0.000 0.271 209 S C 0.636 175.183 174.600 -0.089 0.000 1.171 209 S CA -0.326 57.704 58.200 -0.285 0.000 0.817 209 S CB 2.730 65.814 63.200 -0.192 0.000 1.150 209 S HN 0.485 8.896 8.310 0.168 0.000 0.478 210 R N 0.118 120.512 120.500 -0.177 0.000 2.159 210 R HA -0.217 4.278 4.340 0.258 0.000 0.237 210 R C 0.852 177.211 176.300 0.099 0.000 1.131 210 R CA 3.089 59.237 56.100 0.079 0.000 0.982 210 R CB 0.258 30.581 30.300 0.039 0.000 0.868 210 R HN 0.180 8.244 8.270 -0.343 0.000 0.453 211 T N -7.577 107.008 114.554 0.052 0.000 3.122 211 T HA 0.106 4.501 4.350 0.076 0.000 0.250 211 T C 0.289 175.051 174.700 0.103 0.000 1.067 211 T CA -0.989 61.152 62.100 0.068 0.000 0.966 211 T CB 0.159 69.049 68.868 0.036 0.000 1.002 211 T HN -0.610 7.605 8.240 0.013 0.032 0.542 212 S N 2.741 118.528 115.700 0.144 0.000 2.589 212 S HA -0.057 4.540 4.470 0.212 0.000 0.265 212 S C 0.291 175.022 174.600 0.218 0.000 1.342 212 S CA 0.771 59.103 58.200 0.221 0.000 1.005 212 S CB 0.643 64.047 63.200 0.340 0.000 0.909 212 S HN -0.493 7.847 8.310 0.139 0.054 0.555 213 E N 1.373 121.725 120.200 0.254 0.000 2.220 213 E HA -0.009 4.453 4.350 0.186 0.000 0.272 213 E C 0.312 177.069 176.600 0.260 0.000 1.099 213 E CA -0.024 56.512 56.400 0.226 0.000 0.907 213 E CB -0.144 29.683 29.700 0.212 0.000 1.022 213 E HN 0.416 8.949 8.360 0.288 0.000 0.428 214 V N 6.189 126.260 119.914 0.262 0.000 2.490 214 V HA -0.287 4.069 4.120 0.393 0.000 0.250 214 V C 0.372 176.699 176.094 0.387 0.000 1.061 214 V CA 2.864 65.378 62.300 0.356 0.000 1.064 214 V CB -0.129 31.900 31.823 0.343 0.000 0.670 214 V HN 0.779 9.106 8.190 0.228 0.000 0.461 215 V N -0.847 119.265 119.914 0.331 0.000 2.358 215 V HA -0.510 3.834 4.120 0.373 0.000 0.246 215 V C 2.024 178.211 176.094 0.155 0.000 1.047 215 V CA 4.503 66.972 62.300 0.282 0.000 1.035 215 V CB -0.750 31.187 31.823 0.190 0.000 0.658 215 V HN 0.402 8.744 8.190 0.284 0.018 0.452 216 E N -0.520 119.780 120.200 0.166 0.000 2.077 216 E HA -0.452 3.973 4.350 0.125 0.000 0.193 216 E C 2.167 178.765 176.600 -0.005 0.000 0.989 216 E CA 2.948 59.452 56.400 0.172 0.000 0.800 216 E CB -0.202 29.714 29.700 0.360 0.000 0.746 216 E HN -0.706 7.775 8.360 0.202 0.000 0.452 217 F N 0.009 119.642 119.950 -0.528 0.000 2.102 217 F HA -0.350 2.751 4.527 -2.377 0.000 0.298 217 F C 1.727 177.220 175.800 -0.511 0.000 1.105 217 F CA 1.477 58.752 58.000 -1.208 0.000 1.239 217 F CB -0.200 38.258 39.000 -0.904 0.000 0.991 217 F HN -0.539 7.762 8.300 0.002 0.000 0.474 218 A N -0.282 122.424 122.820 -0.190 0.000 1.927 218 A HA -0.442 3.855 4.320 -0.038 0.000 0.220 218 A C 2.146 179.620 177.584 -0.183 0.000 1.185 218 A CA 3.203 55.151 52.037 -0.149 0.000 0.639 218 A CB -0.784 18.097 19.000 -0.198 0.000 0.820 218 A HN 0.401 8.549 8.150 -0.003 0.000 0.451 219 R N -4.088 116.218 120.500 -0.323 0.000 2.237 219 R HA -0.210 3.460 4.340 -1.117 0.000 0.219 219 R C 1.107 177.247 176.300 -0.266 0.000 1.080 219 R CA 2.201 57.954 56.100 -0.579 0.000 0.995 219 R CB -0.148 29.849 30.300 -0.505 0.000 0.875 219 R HN -0.673 7.433 8.270 -0.255 0.011 0.462 220 D N -2.829 117.536 120.400 -0.058 0.000 2.340 220 D HA -0.008 4.696 4.640 0.107 0.000 0.220 220 D C -0.730 175.630 176.300 0.100 0.000 1.039 220 D CA 0.422 54.483 54.000 0.100 0.000 0.866 220 D CB 0.821 41.821 40.800 0.333 0.000 0.913 220 D HN -0.500 7.660 8.370 -0.102 0.149 0.523 221 L N -2.849 118.427 121.223 0.088 0.000 2.346 221 L HA 0.179 4.528 4.340 0.014 0.000 0.274 221 L C -1.625 175.289 176.870 0.073 0.000 1.007 221 L CA -0.952 53.907 54.840 0.033 0.000 0.818 221 L CB 2.114 44.091 42.059 -0.137 0.000 1.284 221 L HN -0.698 7.561 8.230 0.146 0.058 0.424 222 N N -1.185 117.417 118.700 -0.163 0.000 2.509 222 N HA 0.223 4.799 4.740 -0.272 0.000 0.254 222 N C -0.489 174.758 175.510 -0.437 0.000 1.064 222 N CA 0.719 53.536 53.050 -0.388 0.000 0.865 222 N CB 3.135 41.226 38.487 -0.660 0.000 1.659 222 N HN 0.699 9.313 8.380 -0.187 -0.346 0.495 223 H N 0.107 119.149 119.070 -0.046 0.000 2.472 223 H HA 0.507 5.028 4.556 -0.057 0.000 0.338 223 H C -2.578 172.677 175.328 -0.121 0.000 1.133 223 H CA -2.055 53.955 56.048 -0.064 0.000 1.216 223 H CB 1.413 31.157 29.762 -0.031 0.000 1.497 223 H HN -0.222 8.187 8.280 -0.280 -0.296 0.500 224 P HA 0.178 4.747 4.420 -0.128 -0.226 0.281 224 P C -0.492 176.744 177.300 -0.106 0.000 1.249 224 P CA -1.049 62.013 63.100 -0.064 0.000 0.810 224 P CB 1.380 33.074 31.700 -0.010 0.000 1.008 225 L N -0.542 120.562 121.223 -0.198 0.000 3.995 225 L HA -0.413 3.724 4.340 -0.339 0.000 0.513 225 L C -1.686 174.896 176.870 -0.479 0.000 1.147 225 L CA 0.589 55.233 54.840 -0.327 0.000 0.703 225 L CB -1.320 40.557 42.059 -0.304 0.000 1.306 225 L HN -0.171 7.938 8.230 -0.201 0.000 0.779 226 N N -1.220 117.163 118.700 -0.529 0.000 2.395 226 N HA -0.159 4.245 4.740 -0.561 0.000 0.246 226 N C 1.686 176.749 175.510 -0.745 0.000 1.246 226 N CA 0.755 53.357 53.050 -0.746 0.000 0.879 226 N CB 0.959 38.621 38.487 -1.374 0.000 1.098 226 N HN -0.418 7.668 8.380 -0.490 0.000 0.444 227 C N 0.005 118.981 119.300 -0.540 0.000 2.411 227 C HA -0.230 4.047 4.460 -0.305 0.000 0.279 227 C C 1.651 176.545 174.990 -0.159 0.000 1.288 227 C CA 2.950 61.800 59.018 -0.280 0.000 1.764 227 C CB -0.959 26.731 27.740 -0.083 0.000 1.974 227 C HN 0.869 8.826 8.230 -0.454 0.000 0.498 228 F N -3.208 116.704 119.950 -0.064 0.000 2.771 228 F HA 0.253 4.972 4.527 0.002 -0.191 0.299 228 F C 1.077 176.827 175.800 -0.084 0.000 1.177 228 F CA -0.967 57.005 58.000 -0.047 0.000 1.450 228 F CB -2.152 36.811 39.000 -0.061 0.000 1.114 228 F HN -0.434 7.517 8.300 -0.552 0.018 0.587 229 M N 0.867 120.308 119.600 -0.264 0.000 2.296 229 M HA -0.394 4.051 4.480 -0.058 0.000 0.265 229 M C 0.136 176.355 176.300 -0.135 0.000 1.064 229 M CA 4.180 59.378 55.300 -0.171 0.000 1.109 229 M CB -0.125 32.310 32.600 -0.276 0.000 1.396 229 M HN -0.239 7.605 8.290 -0.484 0.155 0.430 230 C N -6.509 112.652 119.300 -0.232 0.000 3.403 230 C HA 0.485 5.010 4.460 -0.218 -0.196 0.317 230 C C -0.897 173.871 174.990 -0.370 0.000 1.346 230 C CA -1.275 57.533 59.018 -0.350 0.000 1.743 230 C CB 1.197 28.610 27.740 -0.545 0.000 2.308 230 C HN -0.787 7.263 8.230 -0.265 0.022 0.675 231 H N -0.763 118.318 119.070 0.017 0.000 2.744 231 H HA 0.527 5.241 4.556 -0.001 -0.159 0.339 231 H C -1.735 173.616 175.328 0.038 0.000 1.004 231 H CA -1.822 54.230 56.048 0.008 0.000 1.257 231 H CB 1.891 31.641 29.762 -0.021 0.000 1.552 231 H HN -0.627 7.645 8.280 -0.013 0.000 0.522 232 D N 3.798 124.281 120.400 0.138 0.000 2.450 232 D HA 0.068 4.766 4.640 0.096 0.000 0.247 232 D C -0.076 176.249 176.300 0.041 0.000 1.162 232 D CA -1.188 52.869 54.000 0.094 0.000 0.879 232 D CB 2.107 42.975 40.800 0.113 0.000 1.163 232 D HN 0.149 8.595 8.370 0.127 0.000 0.472 233 P HA -0.109 4.376 4.420 0.109 0.000 0.229 233 P C 0.822 178.106 177.300 -0.027 0.000 1.160 233 P CA 1.540 64.585 63.100 -0.092 0.000 0.777 233 P CB 0.383 31.887 31.700 -0.327 0.000 0.814 234 H N -1.255 117.965 119.070 0.251 0.000 2.399 234 H HA 0.086 4.916 4.556 0.456 0.000 0.300 234 H C 2.346 177.809 175.328 0.224 0.000 1.048 234 H CA 3.385 59.627 56.048 0.323 0.000 1.370 234 H CB 0.928 30.855 29.762 0.275 0.000 1.428 234 H HN 0.090 8.512 8.280 -0.146 -0.230 0.534 235 S N -2.628 113.188 115.700 0.194 0.000 2.503 235 S HA 0.271 4.893 4.470 0.061 -0.115 0.215 235 S C 0.245 174.786 174.600 -0.099 0.000 1.003 235 S CA 0.400 58.638 58.200 0.063 0.000 0.910 235 S CB 0.942 64.188 63.200 0.075 0.000 0.790 235 S HN -0.267 8.438 8.310 0.187 -0.282 0.514 236 A N 1.161 123.859 122.820 -0.204 0.000 3.153 236 A HA -0.370 3.829 4.320 -0.387 -0.112 0.265 236 A C -0.338 177.159 177.584 -0.145 0.000 1.212 236 A CA 1.008 52.808 52.037 -0.395 0.000 1.018 236 A CB -1.716 16.792 19.000 -0.820 0.000 1.130 236 A HN 0.136 8.220 8.150 -0.110 0.000 0.873 237 G N -1.999 106.782 108.800 -0.032 0.000 2.537 237 G HA2 0.283 4.253 3.960 0.018 0.000 0.273 237 G HA3 0.283 4.263 3.960 0.033 0.000 0.273 237 G C -2.894 172.061 174.900 0.091 0.000 1.189 237 G CA -2.304 42.814 45.100 0.029 0.000 0.881 237 G HN -0.477 7.741 8.290 -0.016 0.063 0.535 238 P HA 0.390 5.046 4.420 0.122 -0.163 0.275 238 P C -1.131 176.208 177.300 0.065 0.000 1.227 238 P CA -0.460 62.698 63.100 0.097 0.000 0.781 238 P CB 0.844 32.597 31.700 0.088 0.000 0.906 239 R N -2.560 117.961 120.500 0.035 0.000 2.747 239 R HA 0.710 5.204 4.340 0.049 -0.124 0.272 239 R C -2.161 174.146 176.300 0.010 0.000 1.032 239 R CA -1.448 54.676 56.100 0.040 0.000 0.896 239 R CB 3.760 34.101 30.300 0.067 0.000 1.253 239 R HN 0.073 8.247 8.270 -0.000 0.096 0.461 240 V N -7.036 112.891 119.914 0.022 0.000 2.960 240 V HA 0.884 5.225 4.120 -0.012 -0.228 0.315 240 V C -0.502 175.608 176.094 0.027 0.000 1.087 240 V CA -2.957 59.347 62.300 0.007 0.000 0.982 240 V CB 3.782 35.604 31.823 -0.002 0.000 1.039 240 V HN 0.229 8.439 8.190 0.034 0.000 0.437 241 V N -4.967 114.958 119.914 0.017 0.000 3.604 241 V HA 0.533 4.692 4.120 0.065 0.000 0.277 241 V C -0.089 176.013 176.094 0.013 0.000 1.399 241 V CA -0.729 61.595 62.300 0.040 0.000 1.034 241 V CB 1.081 32.942 31.823 0.065 0.000 0.824 241 V HN 0.422 8.965 8.190 -0.004 -0.355 0.439 242 R N 3.196 123.674 120.500 -0.035 0.000 2.351 242 R HA -0.045 4.251 4.340 -0.072 0.000 0.318 242 R C 0.693 176.901 176.300 -0.154 0.000 1.055 242 R CA -0.929 55.117 56.100 -0.090 0.000 0.968 242 R CB 0.043 30.287 30.300 -0.093 0.000 0.974 242 R HN -0.740 7.699 8.270 -0.038 -0.192 0.439 243 D N 7.880 128.210 120.400 -0.117 0.000 2.104 243 D HA -0.265 4.393 4.640 0.030 0.000 0.194 243 D C 1.735 177.771 176.300 -0.439 0.000 0.994 243 D CA 3.432 57.321 54.000 -0.186 0.000 0.830 243 D CB -0.891 39.761 40.800 -0.246 0.000 0.959 243 D HN 0.231 8.566 8.370 -0.059 0.000 0.452 244 G N -1.096 107.306 108.800 -0.663 0.000 2.432 244 G HA2 -0.250 3.299 3.960 -0.686 0.000 0.219 244 G HA3 -0.250 2.849 3.960 -1.436 0.000 0.219 244 G C 1.241 175.387 174.900 -1.256 0.000 1.135 244 G CA 1.589 46.060 45.100 -1.048 0.000 0.767 244 G HN 0.233 8.166 8.290 -0.595 0.000 0.550 245 L N 2.205 122.708 121.223 -1.200 0.000 2.044 245 L HA -0.201 3.732 4.340 -0.678 0.000 0.205 245 L C 1.469 178.077 176.870 -0.436 0.000 1.075 245 L CA 2.372 56.803 54.840 -0.681 0.000 0.747 245 L CB -0.026 41.841 42.059 -0.321 0.000 0.903 245 L HN -0.875 6.690 8.230 -1.094 0.009 0.435 246 I N -0.705 119.709 120.570 -0.260 0.000 2.264 246 I HA -0.556 3.550 4.170 -0.106 0.000 0.248 246 I C 2.237 178.313 176.117 -0.068 0.000 1.111 246 I CA 4.362 65.606 61.300 -0.094 0.000 1.382 246 I CB -0.574 37.468 38.000 0.071 0.000 1.060 246 I HN -0.531 7.532 8.210 -0.246 0.000 0.418 247 N N -0.138 118.502 118.700 -0.101 0.000 2.120 247 N HA -0.412 4.548 4.740 0.070 -0.178 0.188 247 N C 1.589 177.031 175.510 -0.113 0.000 1.024 247 N CA 3.826 56.840 53.050 -0.061 0.000 0.852 247 N CB 0.362 38.751 38.487 -0.164 0.000 1.003 247 N HN -0.071 8.196 8.380 -0.190 0.000 0.424 248 A N 0.193 122.867 122.820 -0.243 0.000 1.855 248 A HA -0.267 3.993 4.320 -0.100 0.000 0.215 248 A C 1.909 179.369 177.584 -0.207 0.000 1.191 248 A CA 3.260 55.156 52.037 -0.236 0.000 0.613 248 A CB -0.200 18.542 19.000 -0.430 0.000 0.829 248 A HN -0.600 7.345 8.150 -0.341 0.000 0.442 249 V N -2.163 117.565 119.914 -0.309 0.000 2.323 249 V HA -0.338 3.749 4.120 -0.055 0.000 0.244 249 V C 2.395 178.477 176.094 -0.020 0.000 1.041 249 V CA 4.521 66.736 62.300 -0.141 0.000 1.025 249 V CB -0.442 31.289 31.823 -0.153 0.000 0.656 249 V HN -0.319 7.642 8.190 -0.382 0.000 0.451 250 V N -1.081 118.813 119.914 -0.034 0.000 2.484 250 V HA -0.295 3.832 4.120 0.012 0.000 0.236 250 V C 2.643 178.744 176.094 0.012 0.000 1.062 250 V CA 3.742 66.042 62.300 -0.001 0.000 1.081 250 V CB -0.102 31.715 31.823 -0.009 0.000 0.751 250 V HN 0.148 8.301 8.190 -0.062 0.000 0.484 251 D N 1.652 122.064 120.400 0.020 0.000 2.097 251 D HA -0.156 4.503 4.640 0.031 0.000 0.195 251 D C 1.975 178.299 176.300 0.040 0.000 0.989 251 D CA 3.078 57.101 54.000 0.039 0.000 0.827 251 D CB -0.301 40.544 40.800 0.075 0.000 0.966 251 D HN -0.510 7.872 8.370 0.019 0.000 0.456 252 R N -3.908 116.616 120.500 0.041 0.000 2.310 252 R HA 0.094 4.471 4.340 0.061 0.000 0.202 252 R C 0.322 176.662 176.300 0.067 0.000 0.933 252 R CA -0.178 55.958 56.100 0.060 0.000 1.054 252 R CB 0.172 30.519 30.300 0.079 0.000 0.985 252 R HN -0.457 7.829 8.270 0.027 0.000 0.489 253 G N -0.661 108.172 108.800 0.056 0.000 2.203 253 G HA2 -0.324 3.668 3.960 0.053 0.000 0.263 253 G HA3 -0.324 3.669 3.960 0.054 0.000 0.263 253 G C 0.370 175.321 174.900 0.085 0.000 1.012 253 G CA 1.288 46.424 45.100 0.060 0.000 0.749 253 G HN -0.413 7.722 8.290 0.043 0.180 0.512 254 L N -1.483 119.814 121.223 0.124 0.000 2.313 254 L HA -0.137 4.282 4.340 0.133 0.000 0.214 254 L C 0.281 177.270 176.870 0.198 0.000 1.119 254 L CA 0.840 55.791 54.840 0.185 0.000 0.809 254 L CB 0.206 42.472 42.059 0.345 0.000 0.933 254 L HN -0.802 7.477 8.230 0.117 0.021 0.449 255 G N -5.224 103.695 108.800 0.197 0.000 2.730 255 G HA2 -0.368 3.690 3.960 0.163 0.000 0.686 255 G HA3 -0.368 3.694 3.960 0.170 0.000 0.686 255 G C 0.005 175.109 174.900 0.339 0.000 1.343 255 G CA -0.504 44.718 45.100 0.203 0.000 0.826 255 G HN -0.653 7.732 8.290 0.159 0.000 0.582 256 T N -3.433 111.295 114.554 0.290 0.000 2.915 256 T HA -0.266 4.336 4.350 0.420 0.000 0.269 256 T C -0.131 174.585 174.700 0.027 0.000 1.071 256 T CA 2.187 64.467 62.100 0.300 0.000 1.132 256 T CB 0.224 69.255 68.868 0.273 0.000 0.878 256 T HN 0.426 8.820 8.240 0.256 0.000 0.479 257 Y N 0.325 120.685 120.300 0.101 0.000 2.749 257 Y HA 0.413 4.729 4.550 -0.389 0.000 0.343 257 Y C -2.056 173.655 175.900 -0.315 0.000 1.015 257 Y CA -3.103 54.884 58.100 -0.187 0.000 1.270 257 Y CB 0.179 38.596 38.460 -0.071 0.000 1.097 257 Y HN -0.505 7.937 8.280 0.301 0.018 0.571 258 P HA 0.018 4.520 4.420 -0.181 -0.191 0.221 258 P C -0.422 176.629 177.300 -0.415 0.000 1.145 258 P CA 1.059 63.916 63.100 -0.405 0.000 0.795 258 P CB 0.395 31.744 31.700 -0.584 0.000 0.775 259 H N -5.102 113.761 119.070 -0.345 0.000 2.539 259 H HA 0.131 4.614 4.556 -0.121 0.000 0.269 259 H C -0.623 174.656 175.328 -0.083 0.000 0.980 259 H CA 0.410 56.356 56.048 -0.170 0.000 1.152 259 H CB 0.204 29.876 29.762 -0.150 0.000 1.407 259 H HN -0.278 7.785 8.280 -0.311 0.031 0.564 260 D N -0.418 119.996 120.400 0.023 0.000 2.328 260 D HA 0.416 5.067 4.640 0.019 0.000 0.243 260 D C -2.081 174.237 176.300 0.029 0.000 1.324 260 D CA -2.638 51.378 54.000 0.026 0.000 0.966 260 D CB 1.319 42.127 40.800 0.012 0.000 1.324 260 D HN -0.300 7.909 8.370 0.000 0.161 0.549 261 P HA -0.088 4.354 4.420 0.038 0.000 0.218 261 P C 0.883 178.198 177.300 0.025 0.000 1.149 261 P CA 1.733 64.848 63.100 0.025 0.000 0.817 261 P CB 0.600 32.309 31.700 0.015 0.000 0.785 262 V N -1.155 118.763 119.914 0.007 0.000 2.307 262 V HA -0.387 3.736 4.120 0.005 0.000 0.245 262 V C 1.937 178.022 176.094 -0.015 0.000 1.045 262 V CA 4.685 66.983 62.300 -0.003 0.000 1.024 262 V CB -0.644 31.171 31.823 -0.014 0.000 0.651 262 V HN -0.342 7.962 8.190 0.001 -0.113 0.449 263 K N -0.729 119.639 120.400 -0.053 0.000 2.148 263 K HA -0.330 4.063 4.320 -0.130 -0.150 0.204 263 K C 2.385 178.975 176.600 -0.017 0.000 1.050 263 K CA 3.440 59.645 56.287 -0.136 0.000 0.942 263 K CB -0.224 32.063 32.500 -0.354 0.000 0.724 263 K HN -0.391 8.108 8.250 -0.056 -0.283 0.446 264 S N -0.066 115.698 115.700 0.106 0.000 2.382 264 S HA -0.168 4.516 4.470 0.358 0.000 0.228 264 S C 1.701 176.383 174.600 0.138 0.000 1.027 264 S CA 3.338 61.666 58.200 0.213 0.000 0.991 264 S CB -0.602 62.704 63.200 0.176 0.000 0.823 264 S HN -0.186 8.175 8.310 0.085 0.000 0.469 265 E N 0.151 120.398 120.200 0.079 0.000 2.107 265 E HA -0.261 4.129 4.350 0.067 0.000 0.191 265 E C 2.546 179.179 176.600 0.055 0.000 0.982 265 E CA 2.619 59.055 56.400 0.060 0.000 0.809 265 E CB -0.198 29.525 29.700 0.039 0.000 0.756 265 E HN -0.582 7.722 8.360 0.061 0.093 0.459 266 Q N -1.679 118.146 119.800 0.041 0.000 2.172 266 Q HA -0.181 4.178 4.340 0.032 0.000 0.200 266 Q C 1.648 177.683 176.000 0.058 0.000 0.964 266 Q CA 1.964 57.787 55.803 0.033 0.000 0.855 266 Q CB 0.771 29.512 28.738 0.004 0.000 0.918 266 Q HN -0.605 7.682 8.270 0.030 0.000 0.444 267 Q N -2.187 117.669 119.800 0.094 0.000 2.773 267 Q HA 0.219 4.638 4.340 0.131 0.000 0.373 267 Q C -0.623 175.502 176.000 0.209 0.000 0.940 267 Q CA -1.301 54.596 55.803 0.158 0.000 1.015 267 Q CB 0.726 29.582 28.738 0.196 0.000 1.349 267 Q HN -0.419 7.909 8.270 0.098 0.000 0.413 268 G N -0.759 108.128 108.800 0.144 0.000 2.557 268 G HA2 0.255 4.359 3.960 0.161 0.000 0.302 268 G HA3 0.255 4.279 3.960 0.107 0.000 0.302 268 G C -2.730 172.235 174.900 0.108 0.000 1.311 268 G CA -1.789 43.391 45.100 0.132 0.000 1.030 268 G HN 0.048 8.715 8.290 0.114 -0.309 0.509 269 M N -1.146 118.505 119.600 0.084 0.000 2.393 269 M HA 0.760 5.474 4.480 0.063 -0.196 0.299 269 M C -1.068 175.255 176.300 0.038 0.000 1.103 269 M CA -0.685 54.651 55.300 0.060 0.000 0.910 269 M CB 4.131 36.761 32.600 0.050 0.000 1.659 269 M HN 0.134 8.473 8.290 0.082 0.000 0.445 270 T N 7.453 122.024 114.554 0.028 0.000 2.791 270 T HA 0.389 4.742 4.350 0.006 0.000 0.288 270 T C -1.591 173.106 174.700 -0.005 0.000 0.999 270 T CA -0.569 61.537 62.100 0.010 0.000 0.952 270 T CB 1.083 69.957 68.868 0.011 0.000 0.938 270 T HN 0.507 8.767 8.240 0.033 0.000 0.444 271 K N 7.734 128.118 120.400 -0.028 0.000 2.339 271 K HA 0.241 4.731 4.320 -0.041 -0.195 0.286 271 K C -0.769 175.780 176.600 -0.086 0.000 1.050 271 K CA 0.172 56.425 56.287 -0.057 0.000 0.956 271 K CB 0.749 33.198 32.500 -0.085 0.000 0.990 271 K HN 0.283 8.516 8.250 -0.028 0.000 0.475 272 V N 8.819 128.678 119.914 -0.091 0.000 2.448 272 V HA 0.264 4.265 4.120 -0.199 0.000 0.295 272 V C -1.275 174.666 176.094 -0.256 0.000 1.025 272 V CA -0.741 61.452 62.300 -0.178 0.000 0.859 272 V CB 2.706 34.445 31.823 -0.140 0.000 0.988 272 V HN 0.376 8.534 8.190 -0.053 0.000 0.431 273 T N 7.307 121.642 114.554 -0.366 0.000 2.855 273 T HA 0.763 5.167 4.350 -0.177 -0.161 0.281 273 T C -0.891 173.517 174.700 -0.487 0.000 1.007 273 T CA -0.984 60.940 62.100 -0.294 0.000 1.009 273 T CB 1.453 70.205 68.868 -0.193 0.000 0.983 273 T HN 0.100 8.122 8.240 -0.363 0.000 0.455 274 F N 4.559 124.528 119.950 0.032 0.000 2.508 274 F HA 0.390 4.960 4.527 0.072 0.000 0.325 274 F C -1.282 174.601 175.800 0.138 0.000 1.090 274 F CA -1.203 56.848 58.000 0.086 0.000 0.945 274 F CB 3.802 42.869 39.000 0.111 0.000 1.156 274 F HN 0.350 8.772 8.300 0.204 0.000 0.463 275 Q N 1.257 121.224 119.800 0.279 0.000 2.297 275 Q HA 0.635 5.257 4.340 0.253 -0.131 0.268 275 Q C -0.495 175.600 176.000 0.159 0.000 1.045 275 Q CA -0.996 54.936 55.803 0.214 0.000 0.861 275 Q CB 3.382 32.195 28.738 0.125 0.000 1.344 275 Q HN 0.335 8.765 8.270 0.267 0.000 0.452 276 R N -0.584 119.974 120.500 0.097 0.000 2.513 276 R HA 0.386 4.704 4.340 -0.037 0.000 0.301 276 R C 0.185 176.508 176.300 0.038 0.000 0.968 276 R CA -1.906 54.174 56.100 -0.032 0.000 0.872 276 R CB 1.550 31.669 30.300 -0.303 0.000 1.177 276 R HN 0.383 8.752 8.270 0.165 0.000 0.444 277 G N 5.487 114.295 108.800 0.014 0.000 2.283 277 G HA2 -0.397 3.567 3.960 0.006 0.000 0.280 277 G HA3 -0.397 3.571 3.960 0.012 0.000 0.280 277 G C -0.369 174.548 174.900 0.029 0.000 1.029 277 G CA 0.673 45.783 45.100 0.016 0.000 0.840 277 G HN 0.868 9.160 8.290 0.002 0.000 0.505 278 R N -6.935 113.589 120.500 0.040 0.000 3.641 278 R HA -0.401 4.141 4.340 0.046 -0.175 0.286 278 R C -0.835 175.496 176.300 0.053 0.000 1.153 278 R CA 0.485 56.609 56.100 0.040 0.000 0.775 278 R CB -2.725 27.585 30.300 0.018 0.000 1.215 278 R HN 0.444 8.728 8.270 0.043 0.011 0.474 279 E N 0.322 120.578 120.200 0.093 0.000 2.187 279 E HA 0.215 4.615 4.350 0.083 0.000 0.268 279 E C -1.601 175.133 176.600 0.223 0.000 0.896 279 E CA -1.787 54.688 56.400 0.124 0.000 0.766 279 E CB 2.641 32.402 29.700 0.101 0.000 1.142 279 E HN -0.546 7.733 8.360 0.110 0.148 0.408 280 D N 5.854 126.362 120.400 0.179 0.000 2.571 280 D HA -0.200 4.536 4.640 0.159 0.000 0.231 280 D C -1.196 175.320 176.300 0.361 0.000 1.133 280 D CA 1.977 56.091 54.000 0.190 0.000 0.862 280 D CB -0.047 40.805 40.800 0.087 0.000 1.179 280 D HN 0.366 8.810 8.370 0.123 0.000 0.474 281 F N 5.182 125.179 119.950 0.078 0.000 2.347 281 F HA 0.203 4.598 4.527 -0.220 0.000 0.266 281 F C -2.033 173.766 175.800 -0.001 0.000 0.884 281 F CA 0.183 58.131 58.000 -0.085 0.000 1.123 281 F CB 3.531 42.427 39.000 -0.174 0.000 1.098 281 F HN 0.366 8.842 8.300 0.293 0.000 0.803 282 R N -3.979 116.478 120.500 -0.073 0.000 2.855 282 R HA 0.368 4.628 4.340 -0.133 0.000 0.266 282 R C -2.906 173.437 176.300 0.072 0.000 1.034 282 R CA -1.684 54.351 56.100 -0.108 0.000 0.944 282 R CB 3.156 33.346 30.300 -0.184 0.000 1.219 282 R HN -0.523 7.855 8.270 0.181 0.000 0.474 283 A N -1.085 121.786 122.820 0.084 0.000 2.587 283 A HA 1.117 5.678 4.320 0.089 -0.188 0.293 283 A C -2.082 175.584 177.584 0.137 0.000 1.087 283 A CA -1.298 50.762 52.037 0.037 0.000 0.692 283 A CB 3.399 22.218 19.000 -0.302 0.000 1.291 283 A HN 0.238 8.467 8.150 0.132 0.000 0.407 284 I N -6.126 114.526 120.570 0.137 0.000 3.145 284 I HA 0.574 4.812 4.170 0.113 0.000 0.313 284 I C -2.031 174.127 176.117 0.069 0.000 1.122 284 I CA -2.680 58.697 61.300 0.129 0.000 0.987 284 I CB 3.757 41.875 38.000 0.196 0.000 1.236 284 I HN 0.381 8.662 8.210 0.118 0.000 0.453 285 G N 0.191 109.026 108.800 0.059 0.000 2.744 285 G HA2 0.567 4.713 3.960 0.024 0.000 0.309 285 G HA3 0.567 4.541 3.960 0.024 0.000 0.309 285 G C -1.871 173.058 174.900 0.049 0.000 1.328 285 G CA -0.863 44.258 45.100 0.036 0.000 1.034 285 G HN 0.378 8.707 8.290 0.064 0.000 0.518 286 L N 6.583 127.837 121.223 0.052 0.000 2.367 286 L HA 0.083 4.463 4.340 0.066 0.000 0.275 286 L C -0.452 176.452 176.870 0.057 0.000 1.129 286 L CA 0.073 54.948 54.840 0.059 0.000 0.839 286 L CB 0.509 42.603 42.059 0.058 0.000 1.133 286 L HN 0.375 8.632 8.230 0.044 0.000 0.453 287 L N 2.776 124.037 121.223 0.064 0.000 2.357 287 L HA 0.165 4.727 4.340 0.079 -0.174 0.273 287 L C 0.038 176.952 176.870 0.072 0.000 1.080 287 L CA -0.232 54.653 54.840 0.075 0.000 0.803 287 L CB 0.826 42.935 42.059 0.084 0.000 1.174 287 L HN 0.032 8.300 8.230 0.064 0.000 0.443 288 D N 0.532 120.979 120.400 0.079 0.000 2.178 288 D HA -0.147 4.528 4.640 0.058 0.000 0.201 288 D C 0.061 176.402 176.300 0.068 0.000 0.980 288 D CA 2.438 56.480 54.000 0.069 0.000 0.842 288 D CB 0.542 41.385 40.800 0.071 0.000 0.948 288 D HN 0.130 8.554 8.370 0.089 0.000 0.472 289 T N -6.720 107.884 114.554 0.084 0.000 2.865 289 T HA 0.244 4.635 4.350 0.069 0.000 0.294 289 T C -1.464 173.290 174.700 0.090 0.000 1.119 289 T CA -2.359 59.790 62.100 0.081 0.000 1.007 289 T CB 3.204 72.123 68.868 0.086 0.000 1.225 289 T HN -0.820 7.460 8.240 0.097 0.018 0.515 290 A N 1.311 124.182 122.820 0.085 0.000 3.037 290 A HA 0.048 4.420 4.320 0.087 0.000 0.272 290 A C -0.788 176.853 177.584 0.094 0.000 1.723 290 A CA -0.416 51.674 52.037 0.089 0.000 1.413 290 A CB -0.644 18.411 19.000 0.091 0.000 1.112 290 A HN 0.250 8.447 8.150 0.078 0.000 0.606 291 D N 3.062 123.529 120.400 0.112 0.000 2.456 291 D HA 0.082 4.814 4.640 0.153 0.000 0.219 291 D C 0.647 177.026 176.300 0.131 0.000 1.126 291 D CA -1.140 52.952 54.000 0.152 0.000 0.890 291 D CB 0.992 41.924 40.800 0.220 0.000 1.025 291 D HN -0.619 7.794 8.370 0.110 0.023 0.511 292 S N 6.814 122.576 115.700 0.102 0.000 2.419 292 S HA -0.340 4.149 4.470 0.033 0.000 0.233 292 S C 1.669 176.319 174.600 0.084 0.000 1.016 292 S CA 2.651 60.886 58.200 0.059 0.000 0.974 292 S CB -0.407 62.805 63.200 0.020 0.000 0.786 292 S HN 0.320 8.689 8.310 0.100 0.000 0.492 293 N N 2.981 121.778 118.700 0.163 0.000 2.094 293 N HA -0.227 4.588 4.740 0.126 0.000 0.191 293 N C 2.213 177.838 175.510 0.192 0.000 1.023 293 N CA 2.842 56.011 53.050 0.198 0.000 0.857 293 N CB -0.425 38.286 38.487 0.373 0.000 1.013 293 N HN -0.329 8.356 8.380 0.207 -0.181 0.426 294 V N 0.236 120.267 119.914 0.195 0.000 2.535 294 V HA -0.301 3.978 4.120 0.265 0.000 0.246 294 V C 1.488 177.659 176.094 0.128 0.000 1.045 294 V CA 2.927 65.344 62.300 0.195 0.000 1.058 294 V CB -0.480 31.452 31.823 0.182 0.000 0.689 294 V HN -0.735 7.569 8.190 0.199 0.006 0.461 295 M N -0.861 118.786 119.600 0.078 0.000 2.080 295 M HA -0.507 3.977 4.480 0.006 0.000 0.260 295 M C 2.735 179.050 176.300 0.024 0.000 1.068 295 M CA 4.479 59.789 55.300 0.018 0.000 1.109 295 M CB -0.098 32.480 32.600 -0.036 0.000 1.342 295 M HN -0.610 7.729 8.290 0.081 0.000 0.405 296 C N -2.759 116.564 119.300 0.038 0.000 2.448 296 C HA -0.178 4.310 4.460 0.047 0.000 0.280 296 C C 1.657 176.720 174.990 0.121 0.000 1.398 296 C CA 2.510 61.557 59.018 0.048 0.000 1.774 296 C CB -2.250 25.467 27.740 -0.039 0.000 1.888 296 C HN -0.028 8.225 8.230 0.039 0.000 0.519 297 A N -1.652 121.262 122.820 0.156 0.000 2.239 297 A HA -0.243 4.212 4.320 0.225 0.000 0.209 297 A C 0.480 178.214 177.584 0.249 0.000 1.171 297 A CA 1.408 53.593 52.037 0.248 0.000 0.768 297 A CB -0.967 18.298 19.000 0.441 0.000 0.790 297 A HN -0.480 7.647 8.150 0.155 0.115 0.478 298 Q N -3.544 116.356 119.800 0.166 0.000 2.226 298 Q HA -0.288 4.207 4.340 0.258 0.000 0.204 298 Q C 0.177 176.273 176.000 0.161 0.000 0.975 298 Q CA 2.534 58.440 55.803 0.172 0.000 0.866 298 Q CB 0.463 29.225 28.738 0.039 0.000 0.915 298 Q HN -0.495 7.798 8.270 0.117 0.047 0.440 299 C N -7.344 111.965 119.300 0.014 0.000 3.484 299 C HA 0.301 4.648 4.460 -0.188 0.000 0.543 299 C C 0.622 175.412 174.990 -0.333 0.000 1.395 299 C CA -0.208 58.692 59.018 -0.197 0.000 2.412 299 C CB 2.836 30.392 27.740 -0.306 0.000 3.532 299 C HN -0.661 7.574 8.230 0.047 0.023 0.584 300 H N 3.769 122.749 119.070 -0.149 0.000 2.768 300 H HA 0.165 4.576 4.556 -0.241 0.000 0.219 300 H C -1.679 173.632 175.328 -0.028 0.000 1.898 300 H CA 0.736 56.703 56.048 -0.135 0.000 1.313 300 H CB -2.192 27.495 29.762 -0.125 0.000 1.701 300 H HN -0.205 8.139 8.280 0.107 0.000 0.534 301 V N -6.264 113.697 119.914 0.078 0.000 3.159 301 V HA 0.632 4.933 4.120 -0.047 -0.209 0.308 301 V C -1.500 174.588 176.094 -0.009 0.000 1.190 301 V CA -3.795 58.489 62.300 -0.027 0.000 1.037 301 V CB 3.714 35.418 31.823 -0.198 0.000 1.060 301 V HN -0.620 7.556 8.190 0.083 0.064 0.437 302 E N 2.969 123.086 120.200 -0.138 0.000 2.313 302 E HA 0.275 4.609 4.350 -0.245 -0.131 0.276 302 E C -1.223 175.478 176.600 0.168 0.000 1.031 302 E CA -1.094 55.213 56.400 -0.154 0.000 0.857 302 E CB 1.833 31.283 29.700 -0.416 0.000 1.040 302 E HN -0.085 8.613 8.360 -0.157 -0.432 0.408 303 Y N 2.175 122.532 120.300 0.095 0.000 2.670 303 Y HA 0.739 5.579 4.550 0.269 -0.128 0.334 303 Y C -2.216 173.899 175.900 0.358 0.000 1.185 303 Y CA -1.804 56.411 58.100 0.191 0.000 1.053 303 Y CB 2.345 40.769 38.460 -0.059 0.000 1.298 303 Y HN -0.406 7.709 8.280 -0.275 0.000 0.459 304 N N -0.403 118.439 118.700 0.236 0.000 2.430 304 N HA 0.363 5.225 4.740 0.007 -0.118 0.292 304 N C -1.036 174.700 175.510 0.376 0.000 1.051 304 N CA -0.915 52.199 53.050 0.105 0.000 0.917 304 N CB 3.602 41.990 38.487 -0.165 0.000 1.164 304 N HN 0.197 8.729 8.380 0.254 0.000 0.484 305 C N -0.661 118.874 119.300 0.392 0.000 3.235 305 C HA 0.752 5.620 4.460 0.362 -0.191 0.198 305 C C -1.936 173.249 174.990 0.324 0.000 1.527 305 C CA -2.728 56.565 59.018 0.459 0.000 1.167 305 C CB -0.005 28.140 27.740 0.675 0.000 1.938 305 C HN 0.642 9.030 8.230 0.263 0.000 0.593 306 N N -1.636 117.208 118.700 0.240 0.000 4.104 306 N HA 0.216 5.064 4.740 0.180 0.000 0.214 306 N C -3.650 171.981 175.510 0.201 0.000 1.270 306 N CA -0.566 52.609 53.050 0.208 0.000 0.894 306 N CB -0.482 38.142 38.487 0.228 0.000 1.495 306 N HN -0.602 7.905 8.380 0.211 0.000 0.506 307 P HA 0.295 4.869 4.420 0.098 -0.095 0.274 307 P C -0.952 176.350 177.300 0.004 0.000 1.256 307 P CA -0.581 62.550 63.100 0.052 0.000 0.795 307 P CB 0.933 32.596 31.700 -0.062 0.000 1.038 308 G N -3.370 105.268 108.800 -0.270 0.000 2.694 308 G HA2 0.569 4.076 3.960 -0.756 0.000 0.246 308 G HA3 0.569 4.025 3.960 -1.003 -0.098 0.246 308 G C -2.557 171.579 174.900 -1.274 0.000 1.205 308 G CA 0.709 45.326 45.100 -0.805 0.000 0.891 308 G HN 0.153 8.291 8.290 -0.253 0.000 0.515 309 Y N -3.518 116.147 120.300 -1.057 0.000 2.588 309 Y HA 0.639 5.076 4.550 -0.499 -0.186 0.343 309 Y C -1.223 174.249 175.900 -0.713 0.000 1.065 309 Y CA -1.422 56.162 58.100 -0.859 0.000 1.038 309 Y CB 4.687 42.441 38.460 -1.178 0.000 1.297 309 Y HN 0.135 7.540 8.280 -1.458 0.000 0.467 310 Q N -0.437 119.313 119.800 -0.083 0.000 2.261 310 Q HA 0.411 5.022 4.340 0.077 -0.224 0.252 310 Q C 1.176 177.358 176.000 0.303 0.000 0.915 310 Q CA -0.840 55.015 55.803 0.088 0.000 0.915 310 Q CB 1.288 30.084 28.738 0.096 0.000 1.204 310 Q HN 0.344 8.614 8.270 0.000 0.000 0.421 311 L N 3.723 125.154 121.223 0.346 0.000 2.083 311 L HA -0.414 4.140 4.340 0.357 0.000 0.209 311 L C 1.165 178.118 176.870 0.138 0.000 1.083 311 L CA 2.761 57.769 54.840 0.281 0.000 0.752 311 L CB -0.191 41.960 42.059 0.154 0.000 0.899 311 L HN 0.496 8.974 8.230 0.292 -0.073 0.433 312 S N -1.716 114.054 115.700 0.116 0.000 2.355 312 S HA -0.190 4.309 4.470 0.049 0.000 0.222 312 S C 0.731 175.372 174.600 0.069 0.000 1.031 312 S CA 2.436 60.679 58.200 0.071 0.000 0.993 312 S CB -0.005 63.233 63.200 0.064 0.000 0.859 312 S HN -0.137 8.513 8.310 0.128 -0.264 0.453 313 D N -2.155 118.300 120.400 0.091 0.000 2.525 313 D HA -0.004 4.673 4.640 0.062 0.000 0.231 313 D C 0.460 176.819 176.300 0.099 0.000 1.216 313 D CA -0.755 53.291 54.000 0.077 0.000 0.813 313 D CB 0.510 41.346 40.800 0.060 0.000 1.108 313 D HN -0.658 7.777 8.370 0.108 0.000 0.524 314 G N 0.891 109.788 108.800 0.163 0.000 2.189 314 G HA2 -0.346 3.875 3.960 0.301 0.000 0.267 314 G HA3 -0.346 3.700 3.960 0.143 0.000 0.267 314 G C 0.294 175.294 174.900 0.166 0.000 0.975 314 G CA 0.635 45.849 45.100 0.190 0.000 0.644 314 G HN -0.087 8.323 8.290 0.200 0.000 0.537 315 S N -0.189 115.587 115.700 0.126 0.000 2.579 315 S HA -0.095 4.445 4.470 0.117 0.000 0.275 315 S C -0.159 174.499 174.600 0.098 0.000 1.345 315 S CA 0.205 58.469 58.200 0.108 0.000 1.031 315 S CB 0.876 64.114 63.200 0.064 0.000 0.892 315 S HN -0.392 8.238 8.310 0.109 -0.254 0.529 316 R N 0.732 121.270 120.500 0.064 0.000 2.537 316 R HA 0.045 4.364 4.340 -0.261 -0.135 0.280 316 R C 0.281 176.509 176.300 -0.120 0.000 1.058 316 R CA -0.139 55.900 56.100 -0.102 0.000 1.057 316 R CB 0.366 30.624 30.300 -0.070 0.000 0.973 316 R HN 0.188 8.504 8.270 0.076 0.000 0.438 317 V N 5.060 124.847 119.914 -0.212 0.000 2.326 317 V HA 0.199 4.305 4.120 -0.022 0.000 0.281 317 V C -0.908 175.153 176.094 -0.056 0.000 1.015 317 V CA -0.586 61.676 62.300 -0.064 0.000 0.823 317 V CB 1.249 33.111 31.823 0.064 0.000 1.009 317 V HN 0.195 8.049 8.190 -0.385 0.106 0.436 318 G N 4.350 113.134 108.800 -0.027 0.000 2.557 318 G HA2 0.162 4.100 3.960 -0.037 0.000 0.292 318 G HA3 0.162 4.114 3.960 -0.014 0.000 0.292 318 G C 0.668 175.583 174.900 0.024 0.000 1.237 318 G CA -0.974 44.117 45.100 -0.015 0.000 0.978 318 G HN 0.195 8.475 8.290 -0.016 0.000 0.498 319 M N -0.699 118.921 119.600 0.033 0.000 2.358 319 M HA -0.308 4.215 4.480 0.072 0.000 0.264 319 M C 0.731 177.054 176.300 0.038 0.000 1.064 319 M CA 1.443 56.777 55.300 0.056 0.000 1.093 319 M CB -1.077 31.567 32.600 0.072 0.000 1.401 319 M HN 0.416 8.722 8.290 0.026 0.000 0.440 320 D N -5.990 114.423 120.400 0.022 0.000 2.264 320 D HA -0.225 4.416 4.640 0.002 0.000 0.208 320 D C 0.339 176.639 176.300 0.000 0.000 0.966 320 D CA 1.583 55.587 54.000 0.007 0.000 0.864 320 D CB -0.806 39.997 40.800 0.004 0.000 0.933 320 D HN 0.124 8.482 8.370 0.020 0.024 0.499 321 D N 0.722 121.127 120.400 0.009 0.000 2.304 321 D HA 0.048 4.687 4.640 -0.002 0.000 0.250 321 D C 0.719 177.013 176.300 -0.009 0.000 1.107 321 D CA -0.083 53.919 54.000 0.003 0.000 0.885 321 D CB 2.151 42.962 40.800 0.019 0.000 1.192 321 D HN -0.524 7.714 8.370 0.017 0.142 0.436 322 R N 6.232 126.717 120.500 -0.025 0.000 2.139 322 R HA -0.333 3.984 4.340 -0.037 0.000 0.243 322 R C 2.129 178.395 176.300 -0.057 0.000 1.145 322 R CA 2.162 58.239 56.100 -0.038 0.000 0.976 322 R CB -0.205 30.072 30.300 -0.038 0.000 0.866 322 R HN 0.620 8.876 8.270 -0.023 0.000 0.449 323 R N -2.722 117.720 120.500 -0.096 0.000 2.241 323 R HA -0.258 3.890 4.340 -0.320 0.000 0.224 323 R C 0.715 176.887 176.300 -0.214 0.000 1.101 323 R CA 2.322 58.283 56.100 -0.231 0.000 0.995 323 R CB -0.267 29.895 30.300 -0.230 0.000 0.870 323 R HN -0.282 8.254 8.270 -0.071 -0.309 0.463 324 A N -4.041 118.747 122.820 -0.054 0.000 2.168 324 A HA -0.116 4.354 4.320 0.014 -0.141 0.215 324 A C -1.166 176.472 177.584 0.089 0.000 1.152 324 A CA 0.703 52.757 52.037 0.029 0.000 0.716 324 A CB 0.788 19.837 19.000 0.081 0.000 0.794 324 A HN -0.476 7.625 8.150 -0.021 0.036 0.465 325 N N -2.259 116.488 118.700 0.078 0.000 2.664 325 N HA 0.234 5.248 4.740 0.211 -0.146 0.257 325 N C -1.903 173.682 175.510 0.125 0.000 1.108 325 N CA -0.419 52.715 53.050 0.140 0.000 0.822 325 N CB 0.829 39.395 38.487 0.131 0.000 1.199 325 N HN -0.766 7.595 8.380 0.033 0.038 0.529 326 H N 5.999 125.096 119.070 0.044 0.000 2.947 326 H HA 0.259 4.771 4.556 -0.073 0.000 0.354 326 H C -2.470 172.970 175.328 0.187 0.000 1.085 326 H CA -0.381 55.630 56.048 -0.062 0.000 1.253 326 H CB 3.479 33.012 29.762 -0.382 0.000 1.757 326 H HN 0.129 8.579 8.280 0.284 0.000 0.523 327 F N 6.078 125.706 119.950 -0.537 0.000 2.391 327 F HA 0.213 4.736 4.527 -0.006 0.000 0.359 327 F C 0.083 175.605 175.800 -0.464 0.000 1.122 327 F CA -2.830 55.012 58.000 -0.263 0.000 1.120 327 F CB -0.341 38.600 39.000 -0.099 0.000 1.142 327 F HN 0.569 8.737 8.300 -0.220 0.000 0.483 328 F N 3.078 123.105 119.950 0.129 0.000 2.186 328 F HA -0.155 4.467 4.527 0.158 0.000 0.299 328 F C 0.900 176.970 175.800 0.451 0.000 1.090 328 F CA 2.520 60.669 58.000 0.248 0.000 1.307 328 F CB 0.829 40.053 39.000 0.374 0.000 1.019 328 F HN -0.199 8.381 8.300 0.466 0.000 0.489 329 W N -2.556 119.010 121.300 0.442 0.000 5.963 329 W HA -0.402 4.604 4.660 0.576 0.000 0.400 329 W C -2.416 174.486 176.519 0.638 0.000 1.530 329 W CA -0.172 57.488 57.345 0.525 0.000 1.004 329 W CB -1.498 28.200 29.460 0.397 0.000 2.706 329 W HN -0.172 8.484 8.180 0.793 0.000 1.495 330 A N -0.322 122.894 122.820 0.661 0.000 2.455 330 A HA 0.220 4.887 4.320 0.577 0.000 0.300 330 A C -1.814 176.112 177.584 0.570 0.000 1.040 330 A CA -1.261 51.133 52.037 0.595 0.000 0.697 330 A CB 2.931 22.238 19.000 0.512 0.000 1.265 330 A HN -0.564 7.976 8.150 0.650 0.000 0.407 331 N N 2.348 121.359 118.700 0.519 0.000 2.288 331 N HA -0.157 4.741 4.740 0.264 0.000 0.237 331 N C 1.366 176.747 175.510 -0.214 0.000 1.311 331 N CA -0.698 52.496 53.050 0.240 0.000 0.909 331 N CB 0.366 39.023 38.487 0.284 0.000 1.167 331 N HN -0.064 8.683 8.380 0.612 0.000 0.476 332 V N -1.114 118.222 119.914 -0.964 0.000 2.392 332 V HA -0.233 2.529 4.120 -2.265 0.000 0.249 332 V C 1.371 177.135 176.094 -0.551 0.000 1.059 332 V CA 2.600 63.932 62.300 -1.613 0.000 1.051 332 V CB -0.342 30.257 31.823 -2.040 0.000 0.658 332 V HN 0.528 8.195 8.190 -0.872 0.000 0.455 333 F N -4.280 115.649 119.950 -0.034 0.000 2.780 333 F HA -0.010 4.667 4.527 0.249 0.000 0.299 333 F C 0.818 176.718 175.800 0.167 0.000 1.146 333 F CA 0.040 58.119 58.000 0.132 0.000 1.428 333 F CB -0.465 38.577 39.000 0.070 0.000 1.115 333 F HN -0.541 7.726 8.300 -0.266 -0.127 0.583 334 D N -2.681 117.894 120.400 0.292 0.000 2.398 334 D HA 0.129 4.928 4.640 0.265 0.000 0.210 334 D C 0.406 176.864 176.300 0.264 0.000 1.094 334 D CA 0.278 54.445 54.000 0.279 0.000 0.839 334 D CB 1.296 42.273 40.800 0.296 0.000 0.963 334 D HN -0.351 8.139 8.370 0.221 0.013 0.506 335 Y N 2.024 122.393 120.300 0.114 0.000 2.200 335 Y HA -0.458 4.194 4.550 0.171 0.000 0.290 335 Y C 0.542 176.524 175.900 0.137 0.000 1.137 335 Y CA 4.155 62.319 58.100 0.108 0.000 1.163 335 Y CB 0.231 38.704 38.460 0.021 0.000 0.988 335 Y HN -0.584 7.752 8.280 0.268 0.105 0.518 336 K N -1.027 119.524 120.400 0.252 0.000 2.063 336 K HA -0.456 4.017 4.320 0.255 0.000 0.208 336 K C 1.695 178.339 176.600 0.074 0.000 1.048 336 K CA 3.770 60.178 56.287 0.202 0.000 0.928 336 K CB -0.486 32.167 32.500 0.254 0.000 0.713 336 K HN 0.301 8.743 8.250 0.320 0.000 0.442 337 E N -0.653 119.613 120.200 0.110 0.000 2.085 337 E HA -0.290 4.272 4.350 0.082 -0.164 0.194 337 E C 2.048 178.707 176.600 0.099 0.000 0.994 337 E CA 3.022 59.482 56.400 0.100 0.000 0.801 337 E CB -0.403 29.373 29.700 0.127 0.000 0.743 337 E HN -0.008 8.444 8.360 0.152 0.000 0.453 338 A N -1.346 121.537 122.820 0.105 0.000 1.933 338 A HA -0.223 4.230 4.320 0.223 0.000 0.218 338 A C 2.056 179.768 177.584 0.212 0.000 1.175 338 A CA 2.899 55.053 52.037 0.196 0.000 0.628 338 A CB -0.850 18.341 19.000 0.320 0.000 0.814 338 A HN -0.425 7.702 8.150 0.094 0.080 0.444 339 A N -2.142 120.684 122.820 0.010 0.000 1.929 339 A HA -0.378 4.181 4.320 0.399 0.000 0.216 339 A C 1.974 179.665 177.584 0.178 0.000 1.176 339 A CA 2.572 54.697 52.037 0.147 0.000 0.628 339 A CB -0.359 18.632 19.000 -0.015 0.000 0.816 339 A HN -0.106 7.931 8.150 -0.189 0.000 0.444 340 Q N -1.895 117.961 119.800 0.092 0.000 2.124 340 Q HA -0.374 nan 4.340 nan 0.000 0.202 340 Q C 2.542 178.596 176.000 0.090 0.000 0.977 340 Q CA 2.746 58.593 55.803 0.072 0.000 0.850 340 Q CB 0.024 28.772 28.738 0.017 0.000 0.901 340 Q HN -0.170 8.134 8.270 0.057 0.000 0.429 341 E N -0.336 119.924 120.200 0.100 0.000 2.077 341 E HA -0.212 4.184 4.350 0.077 0.000 0.193 341 E C 1.677 178.323 176.600 0.075 0.000 0.989 341 E CA 2.338 58.793 56.400 0.091 0.000 0.800 341 E CB -0.031 29.736 29.700 0.111 0.000 0.746 341 E HN -0.440 7.975 8.360 0.109 0.010 0.452 342 I N -8.884 111.732 120.570 0.077 0.000 3.793 342 I HA 0.164 4.333 4.170 -0.002 0.000 0.315 342 I C -0.799 175.383 176.117 0.109 0.000 1.275 342 I CA -0.448 60.863 61.300 0.018 0.000 1.214 342 I CB 0.752 38.635 38.000 -0.194 0.000 1.018 342 I HN -0.835 7.442 8.210 0.112 0.000 0.439 343 D N 0.035 120.530 120.400 0.158 0.000 2.848 343 D HA -0.388 4.352 4.640 0.166 0.000 0.245 343 D C -2.399 174.068 176.300 0.278 0.000 1.122 343 D CA 1.386 55.493 54.000 0.179 0.000 0.769 343 D CB -1.407 39.465 40.800 0.120 0.000 1.025 343 D HN -0.418 7.869 8.370 0.149 0.172 0.423 344 F N 0.934 120.984 119.950 0.166 0.000 2.596 344 F HA 0.678 5.478 4.527 0.126 -0.197 0.311 344 F C -2.946 173.064 175.800 0.350 0.000 1.116 344 F CA -0.794 57.318 58.000 0.187 0.000 0.957 344 F CB 3.615 42.706 39.000 0.152 0.000 1.250 344 F HN -0.682 7.853 8.300 0.391 0.000 0.444 345 F N 0.459 120.213 119.950 -0.327 0.000 2.664 345 F HA 0.437 5.070 4.527 0.177 0.000 0.317 345 F C -2.282 173.319 175.800 -0.332 0.000 1.108 345 F CA -1.765 56.174 58.000 -0.101 0.000 0.957 345 F CB 2.554 41.584 39.000 0.049 0.000 1.365 345 F HN 0.525 8.368 8.300 -0.760 0.000 0.475 346 D N 0.558 121.087 120.400 0.214 0.000 2.269 346 D HA 0.111 4.798 4.640 0.077 0.000 0.220 346 D C -0.499 176.077 176.300 0.461 0.000 0.962 346 D CA 3.933 58.096 54.000 0.272 0.000 0.884 346 D CB 2.469 43.554 40.800 0.475 0.000 1.023 346 D HN -0.080 8.544 8.370 0.423 0.000 0.484 347 F N -4.211 115.949 119.950 0.351 0.000 2.686 347 F HA 0.368 5.085 4.527 0.316 0.000 0.311 347 F C -2.656 173.322 175.800 0.296 0.000 1.128 347 F CA -1.715 56.469 58.000 0.307 0.000 0.946 347 F CB 1.670 40.819 39.000 0.247 0.000 1.336 347 F HN -0.654 7.956 8.300 0.517 0.000 0.457 348 R N 1.615 122.182 120.500 0.112 0.000 2.294 348 R HA 0.341 4.703 4.340 -0.283 -0.192 0.319 348 R C -0.546 175.691 176.300 -0.106 0.000 0.984 348 R CA -1.813 54.211 56.100 -0.127 0.000 0.861 348 R CB 1.577 31.829 30.300 -0.079 0.000 1.104 348 R HN 0.385 8.784 8.270 0.216 0.000 0.451 349 H N 7.313 126.167 119.070 -0.359 0.000 3.034 349 H HA -0.110 4.626 4.556 0.050 -0.150 0.324 349 H C 0.712 176.017 175.328 -0.038 0.000 1.015 349 H CA 1.644 57.605 56.048 -0.146 0.000 1.429 349 H CB 1.933 31.561 29.762 -0.223 0.000 1.429 349 H HN 0.022 8.107 8.280 -0.325 0.000 0.585 350 A N 8.475 131.081 122.820 -0.357 0.000 2.019 350 A HA -0.190 4.086 4.320 -0.074 0.000 0.219 350 A C 0.475 178.029 177.584 -0.049 0.000 1.164 350 A CA 2.836 54.779 52.037 -0.157 0.000 0.644 350 A CB 0.102 19.002 19.000 -0.166 0.000 0.805 350 A HN 0.406 8.062 8.150 -0.656 0.101 0.449 351 T N -1.932 112.666 114.554 0.074 0.000 2.988 351 T HA 0.129 4.522 4.350 0.072 0.000 0.240 351 T C 1.657 176.381 174.700 0.041 0.000 1.014 351 T CA 2.559 64.741 62.100 0.137 0.000 1.155 351 T CB 0.743 69.733 68.868 0.203 0.000 0.872 351 T HN -0.522 7.764 8.240 0.110 0.020 0.440 352 T N -1.728 112.804 114.554 -0.037 0.000 3.043 352 T HA 0.006 3.710 4.350 -1.076 0.000 0.263 352 T C 1.358 175.810 174.700 -0.414 0.000 1.094 352 T CA 1.199 62.835 62.100 -0.774 0.000 1.127 352 T CB 0.836 68.910 68.868 -1.324 0.000 0.905 352 T HN -0.462 8.011 8.240 0.388 0.000 0.490 353 G N 1.449 110.160 108.800 -0.147 0.000 2.189 353 G HA2 -0.512 3.463 3.960 -0.088 0.000 0.267 353 G HA3 -0.512 3.399 3.960 -0.081 0.000 0.267 353 G C -1.355 173.440 174.900 -0.176 0.000 0.975 353 G CA 0.426 45.457 45.100 -0.115 0.000 0.644 353 G HN -0.150 8.108 8.290 -0.053 0.000 0.537 354 A N 0.778 123.453 122.820 -0.241 0.000 2.440 354 A HA 0.118 4.294 4.320 -0.241 0.000 0.251 354 A C -0.982 176.323 177.584 -0.464 0.000 1.089 354 A CA -0.711 51.141 52.037 -0.308 0.000 0.779 354 A CB 0.935 19.730 19.000 -0.341 0.000 1.022 354 A HN -0.550 7.396 8.150 -0.250 0.053 0.492 355 A N 3.954 126.428 122.820 -0.576 0.000 2.492 355 A HA 0.070 3.916 4.320 -0.994 -0.123 0.254 355 A C -0.865 176.338 177.584 -0.635 0.000 1.091 355 A CA 0.373 51.813 52.037 -0.996 0.000 0.768 355 A CB 0.198 18.137 19.000 -1.769 0.000 1.028 355 A HN 0.370 8.215 8.150 -0.508 0.000 0.498 356 L N 2.734 123.585 121.223 -0.620 0.000 2.371 356 L HA 0.560 4.477 4.340 -0.705 0.000 0.262 356 L C -2.639 174.024 176.870 -0.345 0.000 1.006 356 L CA -3.295 51.106 54.840 -0.733 0.000 0.818 356 L CB 3.343 44.585 42.059 -1.361 0.000 1.354 356 L HN 0.265 8.180 8.230 -0.525 0.000 0.415 357 P HA 0.266 4.921 4.420 0.189 -0.121 0.282 357 P C -1.680 175.616 177.300 -0.008 0.000 1.259 357 P CA -1.577 61.501 63.100 -0.036 0.000 0.826 357 P CB 0.968 32.634 31.700 -0.056 0.000 1.064 358 K N 1.717 122.141 120.400 0.040 0.000 2.358 358 K HA 0.179 4.551 4.320 -0.147 -0.140 0.260 358 K C -0.489 175.906 176.600 -0.342 0.000 0.956 358 K CA -1.714 54.459 56.287 -0.189 0.000 0.834 358 K CB 1.518 33.766 32.500 -0.420 0.000 1.102 358 K HN -0.006 8.612 8.250 0.114 -0.299 0.431 359 L N 5.751 126.705 121.223 -0.448 0.000 2.343 359 L HA 0.191 4.311 4.340 -0.651 -0.171 0.275 359 L C 0.247 176.718 176.870 -0.664 0.000 1.056 359 L CA -1.445 53.023 54.840 -0.621 0.000 0.804 359 L CB 0.789 42.440 42.059 -0.681 0.000 1.203 359 L HN 0.185 8.496 8.230 -0.386 -0.312 0.440 360 Q N -0.766 118.590 119.800 -0.741 0.000 2.305 360 Q HA 0.249 4.202 4.340 -0.645 0.000 0.271 360 Q C -1.269 174.137 176.000 -0.989 0.000 1.046 360 Q CA -1.493 53.818 55.803 -0.820 0.000 0.798 360 Q CB 3.888 32.159 28.738 -0.777 0.000 1.286 360 Q HN 0.231 8.280 8.270 -0.764 -0.237 0.435 361 H N -1.507 117.404 119.070 -0.265 0.000 1.828 361 H HA -0.303 4.341 4.556 -0.246 -0.236 0.319 361 H C -1.575 173.564 175.328 -0.317 0.000 0.826 361 H CA -0.758 55.151 56.048 -0.231 0.000 1.059 361 H CB -1.898 27.815 29.762 -0.081 0.000 1.545 361 H HN 0.329 8.347 8.280 -0.436 0.000 0.285 362 P HA 0.277 4.626 4.420 -0.392 -0.165 0.214 362 P C -0.634 176.495 177.300 -0.285 0.000 1.807 362 P CA -0.837 61.926 63.100 -0.561 0.000 0.921 362 P CB -0.648 30.224 31.700 -1.380 0.000 1.835 363 E N 2.486 122.636 120.200 -0.083 0.000 2.077 363 E HA -0.298 4.316 4.350 0.096 -0.207 0.193 363 E C 1.790 178.318 176.600 -0.119 0.000 0.989 363 E CA 3.656 60.054 56.400 -0.003 0.000 0.800 363 E CB -0.688 29.035 29.700 0.038 0.000 0.746 363 E HN -0.374 7.924 8.360 -0.005 0.059 0.452 364 A N -1.030 121.686 122.820 -0.174 0.000 1.877 364 A HA -0.358 3.838 4.320 -0.207 0.000 0.216 364 A C 1.873 178.939 177.584 -0.863 0.000 1.186 364 A CA 3.761 55.612 52.037 -0.310 0.000 0.620 364 A CB -0.474 18.456 19.000 -0.117 0.000 0.822 364 A HN -0.146 7.939 8.150 -0.107 0.000 0.443 365 E N -5.495 114.166 120.200 -0.898 0.000 2.274 365 E HA -0.251 2.370 4.350 -2.882 0.000 0.194 365 E C 1.451 177.784 176.600 -0.446 0.000 0.996 365 E CA 2.458 58.082 56.400 -1.293 0.000 0.840 365 E CB -0.573 28.799 29.700 -0.546 0.000 0.772 365 E HN 0.450 8.472 8.360 -0.563 0.000 0.491 366 T N 0.627 115.118 114.554 -0.104 0.000 2.851 366 T HA -0.028 4.636 4.350 0.277 -0.147 0.262 366 T C 0.532 175.362 174.700 0.217 0.000 1.043 366 T CA 3.281 65.502 62.100 0.203 0.000 1.140 366 T CB 0.137 69.199 68.868 0.322 0.000 0.872 366 T HN -0.611 7.526 8.240 -0.132 0.024 0.446 367 F N 0.637 120.553 119.950 -0.058 0.000 2.216 367 F HA -0.175 4.417 4.527 0.108 0.000 0.300 367 F C 0.191 176.079 175.800 0.147 0.000 1.085 367 F CA 0.628 58.640 58.000 0.020 0.000 1.326 367 F CB 0.754 39.694 39.000 -0.101 0.000 1.027 367 F HN -0.619 7.749 8.300 0.113 0.000 0.497 368 W N -1.821 119.496 121.300 0.029 0.000 2.409 368 W HA -0.340 4.269 4.660 -0.085 0.000 0.338 368 W C 0.798 177.236 176.519 -0.135 0.000 1.273 368 W CA 1.992 59.291 57.345 -0.076 0.000 1.299 368 W CB -1.631 27.796 29.460 -0.056 0.000 1.192 368 W HN -0.814 7.301 8.180 -0.109 0.000 0.565 369 G N 1.775 110.615 108.800 0.067 0.000 2.205 369 G HA2 -0.409 3.538 3.960 -0.021 0.000 0.261 369 G HA3 -0.409 3.542 3.960 -0.014 0.000 0.261 369 G C -0.759 174.115 174.900 -0.044 0.000 0.980 369 G CA 0.027 45.120 45.100 -0.011 0.000 0.632 369 G HN 0.344 9.040 8.290 0.064 -0.367 0.533 370 S N -1.452 114.192 115.700 -0.094 0.000 2.584 370 S HA 0.053 4.498 4.470 -0.043 0.000 0.270 370 S C 1.108 175.635 174.600 -0.121 0.000 1.346 370 S CA -0.616 57.528 58.200 -0.094 0.000 1.018 370 S CB 1.755 64.904 63.200 -0.084 0.000 0.899 370 S HN -0.693 7.463 8.310 -0.134 0.073 0.542 371 V N 2.114 121.958 119.914 -0.116 0.000 2.332 371 V HA -0.436 3.622 4.120 -0.105 0.000 0.248 371 V C 1.789 177.810 176.094 -0.121 0.000 1.055 371 V CA 4.077 66.294 62.300 -0.140 0.000 1.038 371 V CB -0.509 31.200 31.823 -0.190 0.000 0.651 371 V HN 0.522 8.645 8.190 -0.112 0.000 0.450 372 H N -2.683 116.381 119.070 -0.009 0.000 2.321 372 H HA -0.383 4.238 4.556 0.109 0.000 0.300 372 H C 1.740 177.044 175.328 -0.039 0.000 1.087 372 H CA 3.961 60.055 56.048 0.077 0.000 1.319 372 H CB -0.146 29.801 29.762 0.308 0.000 1.379 372 H HN -0.438 7.790 8.280 -0.085 0.000 0.501 373 E N -0.302 119.720 120.200 -0.297 0.000 2.077 373 E HA -0.274 4.114 4.350 -0.198 -0.158 0.193 373 E C 2.958 179.506 176.600 -0.087 0.000 0.989 373 E CA 2.692 58.865 56.400 -0.377 0.000 0.800 373 E CB -0.260 28.975 29.700 -0.776 0.000 0.746 373 E HN -0.476 7.598 8.360 -0.477 0.000 0.452 374 R N -2.343 118.105 120.500 -0.087 0.000 2.148 374 R HA -0.150 4.162 4.340 -0.047 0.000 0.227 374 R C 1.874 178.158 176.300 -0.027 0.000 1.103 374 R CA 1.776 57.847 56.100 -0.049 0.000 0.983 374 R CB -0.371 29.898 30.300 -0.051 0.000 0.874 374 R HN -0.069 8.132 8.270 -0.115 0.000 0.451 375 N N -3.302 115.398 118.700 0.000 0.000 2.383 375 N HA 0.019 4.760 4.740 0.001 0.000 0.192 375 N C 0.160 175.699 175.510 0.048 0.000 1.141 375 N CA 0.361 53.424 53.050 0.021 0.000 0.851 375 N CB 0.481 38.988 38.487 0.034 0.000 0.976 375 N HN -0.640 7.628 8.380 0.008 0.117 0.465 376 G N -1.194 107.639 108.800 0.056 0.000 2.143 376 G HA2 -0.469 3.523 3.960 0.053 0.000 0.249 376 G HA3 -0.469 3.520 3.960 0.048 0.000 0.249 376 G C -0.433 174.555 174.900 0.146 0.000 0.981 376 G CA 0.405 45.548 45.100 0.073 0.000 0.665 376 G HN -0.378 7.766 8.290 0.043 0.171 0.528 377 V N 0.072 120.120 119.914 0.223 0.000 2.881 377 V HA 0.048 4.429 4.120 0.206 -0.138 0.303 377 V C -0.976 175.366 176.094 0.415 0.000 1.070 377 V CA -0.090 62.383 62.300 0.289 0.000 1.074 377 V CB 0.231 32.264 31.823 0.350 0.000 1.012 377 V HN -0.609 7.679 8.190 0.223 0.036 0.482 378 A N 2.215 125.197 122.820 0.271 0.000 2.527 378 A HA 0.675 5.387 4.320 0.364 -0.173 0.293 378 A C 1.063 178.635 177.584 -0.019 0.000 1.117 378 A CA -2.034 50.132 52.037 0.214 0.000 0.723 378 A CB 2.999 22.114 19.000 0.192 0.000 1.313 378 A HN 0.060 8.620 8.150 0.180 -0.302 0.411 379 C N -0.459 118.756 119.300 -0.142 0.000 2.385 379 C HA -0.409 3.886 4.460 -0.275 0.000 0.275 379 C C 2.094 177.058 174.990 -0.044 0.000 1.207 379 C CA 3.859 62.773 59.018 -0.172 0.000 1.760 379 C CB -1.835 25.808 27.740 -0.161 0.000 2.051 379 C HN 0.330 8.705 8.230 -0.109 -0.210 0.467 380 A N -0.900 121.907 122.820 -0.022 0.000 2.019 380 A HA -0.361 4.012 4.320 -0.009 -0.058 0.219 380 A C 2.163 179.730 177.584 -0.028 0.000 1.164 380 A CA 2.965 54.992 52.037 -0.017 0.000 0.644 380 A CB -0.803 18.186 19.000 -0.018 0.000 0.805 380 A HN 0.024 8.160 8.150 -0.013 0.006 0.449 381 D N -1.891 118.494 120.400 -0.025 0.000 2.218 381 D HA -0.230 4.400 4.640 -0.017 0.000 0.204 381 D C 0.331 176.585 176.300 -0.077 0.000 0.976 381 D CA 3.384 57.368 54.000 -0.027 0.000 0.853 381 D CB -0.089 40.716 40.800 0.009 0.000 0.939 381 D HN -0.218 8.124 8.370 -0.012 0.022 0.481 382 C N -4.394 114.812 119.300 -0.156 0.000 2.700 382 C HA -0.010 4.319 4.460 -0.219 0.000 0.297 382 C C -0.174 174.589 174.990 -0.380 0.000 1.293 382 C CA 1.578 60.413 59.018 -0.305 0.000 1.756 382 C CB 0.861 28.327 27.740 -0.456 0.000 2.210 382 C HN -0.627 7.491 8.230 -0.156 0.018 0.553 383 H N -4.843 114.173 119.070 -0.089 0.000 2.874 383 H HA 0.450 5.094 4.556 -0.096 -0.146 0.264 383 H C -0.455 174.820 175.328 -0.087 0.000 1.007 383 H CA 0.108 56.097 56.048 -0.099 0.000 1.207 383 H CB 2.277 31.963 29.762 -0.126 0.000 1.487 383 H HN -0.292 7.942 8.280 -0.077 0.000 0.505 384 M N -0.911 118.697 119.600 0.013 0.000 3.287 384 M HA 0.493 5.033 4.480 -0.020 -0.072 0.336 384 M C -3.032 173.244 176.300 -0.040 0.000 1.573 384 M CA -1.907 53.376 55.300 -0.030 0.000 0.609 384 M CB 1.409 33.958 32.600 -0.085 0.000 1.421 384 M HN -0.478 7.690 8.290 -0.004 0.120 0.476 385 P HA 0.051 4.448 4.420 -0.038 0.000 0.274 385 P C -0.667 176.596 177.300 -0.062 0.000 1.246 385 P CA -0.908 62.164 63.100 -0.046 0.000 0.795 385 P CB 0.574 32.245 31.700 -0.049 0.000 1.006 386 K N -1.577 118.787 120.400 -0.061 0.000 2.436 386 K HA -0.194 4.188 4.320 -0.115 -0.132 0.275 386 K C -0.049 176.461 176.600 -0.150 0.000 0.999 386 K CA 0.401 56.629 56.287 -0.098 0.000 0.980 386 K CB -0.148 32.317 32.500 -0.059 0.000 0.919 386 K HN 0.094 8.318 8.250 -0.043 0.000 0.484 387 V N 4.645 124.390 119.914 -0.282 0.000 2.924 387 V HA -0.005 nan 4.120 nan 0.000 0.305 387 V C 0.358 176.358 176.094 -0.156 0.000 1.073 387 V CA 0.122 62.252 62.300 -0.284 0.000 1.098 387 V CB 1.061 32.544 31.823 -0.567 0.000 1.000 387 V HN -0.087 7.869 8.190 -0.391 0.000 0.484 388 Q N 5.340 125.083 119.800 -0.095 0.000 2.333 388 Q HA 0.448 4.761 4.340 -0.045 0.000 0.265 388 Q C -1.527 174.455 176.000 -0.029 0.000 0.989 388 Q CA -1.158 54.616 55.803 -0.048 0.000 0.842 388 Q CB 1.314 30.035 28.738 -0.030 0.000 1.262 388 Q HN 0.217 nan 8.270 nan 0.000 0.451 389 L N 1.804 123.020 121.223 -0.012 0.000 2.365 389 L HA 0.172 4.519 4.340 0.012 0.000 0.273 389 L C 0.523 177.402 176.870 0.014 0.000 1.000 389 L CA -0.553 54.294 54.840 0.010 0.000 0.819 389 L CB 1.783 43.861 42.059 0.031 0.000 1.284 389 L HN 0.275 8.498 8.230 -0.011 0.000 0.418 390 E N 1.246 121.456 120.200 0.016 0.000 2.085 390 E HA -0.197 4.161 4.350 0.013 0.000 0.194 390 E C -0.095 176.516 176.600 0.019 0.000 0.994 390 E CA 1.704 58.114 56.400 0.016 0.000 0.801 390 E CB 0.404 30.113 29.700 0.015 0.000 0.743 390 E HN 0.307 8.677 8.360 0.017 0.000 0.453 391 N N -1.515 117.200 118.700 0.025 0.000 2.549 391 N HA 0.118 4.873 4.740 0.025 0.000 0.290 391 N C -1.468 174.065 175.510 0.038 0.000 1.122 391 N CA 0.164 53.230 53.050 0.028 0.000 0.885 391 N CB 0.776 39.278 38.487 0.024 0.000 1.455 391 N HN -0.285 8.111 8.380 0.027 0.000 0.521 392 G N 0.638 109.463 108.800 0.042 0.000 2.321 392 G HA2 -0.143 3.850 3.960 0.056 0.000 0.298 392 G HA3 -0.143 3.860 3.960 0.072 0.000 0.298 392 G C -2.309 172.632 174.900 0.068 0.000 1.385 392 G CA -0.121 45.015 45.100 0.060 0.000 0.856 392 G HN -0.096 8.217 8.290 0.038 0.000 0.584 393 K N 1.005 121.459 120.400 0.090 0.000 2.316 393 K HA 0.167 4.534 4.320 0.079 0.000 0.289 393 K C -0.513 176.181 176.600 0.157 0.000 1.070 393 K CA -0.342 56.007 56.287 0.102 0.000 0.928 393 K CB 0.359 32.915 32.500 0.094 0.000 1.039 393 K HN -0.023 8.283 8.250 0.093 0.000 0.480 394 V N 4.890 124.869 119.914 0.108 0.000 2.843 394 V HA -0.031 4.112 4.120 0.040 0.000 0.305 394 V C -0.130 176.067 176.094 0.172 0.000 1.065 394 V CA 0.559 62.905 62.300 0.076 0.000 1.116 394 V CB 0.041 31.874 31.823 0.018 0.000 0.968 394 V HN 0.319 8.557 8.190 0.080 0.000 0.487 395 Y N 1.975 122.304 120.300 0.049 0.000 2.644 395 Y HA 0.381 4.966 4.550 0.059 0.000 0.338 395 Y C -1.881 174.069 175.900 0.083 0.000 1.119 395 Y CA -2.931 55.207 58.100 0.064 0.000 1.060 395 Y CB 1.398 39.897 38.460 0.064 0.000 1.294 395 Y HN -0.501 7.631 8.280 -0.247 0.000 0.472 396 T N 2.804 117.484 114.554 0.209 0.000 2.749 396 T HA -0.012 4.338 4.350 0.001 0.000 0.295 396 T C -0.654 174.220 174.700 0.292 0.000 0.936 396 T CA 0.112 62.298 62.100 0.143 0.000 1.060 396 T CB -0.221 68.756 68.868 0.182 0.000 0.904 396 T HN -0.033 8.418 8.240 0.352 0.000 0.500 397 S N 6.503 122.246 115.700 0.071 0.000 2.537 397 S HA -0.128 4.529 4.470 0.311 0.000 0.286 397 S C 0.032 174.767 174.600 0.226 0.000 1.299 397 S CA 0.787 59.095 58.200 0.180 0.000 1.067 397 S CB 0.359 63.582 63.200 0.038 0.000 0.864 397 S HN 0.051 8.330 8.310 -0.052 0.000 0.494 398 H N 6.399 125.573 119.070 0.174 0.000 2.505 398 H HA 0.177 4.836 4.556 0.172 0.000 0.289 398 H C -0.256 175.176 175.328 0.173 0.000 1.052 398 H CA -0.920 55.241 56.048 0.190 0.000 1.156 398 H CB 0.073 29.974 29.762 0.230 0.000 1.507 398 H HN 0.001 8.581 8.280 0.499 0.000 0.548 399 S N 1.604 117.395 115.700 0.152 0.000 2.681 399 S HA 0.241 4.752 4.470 -0.015 -0.050 0.313 399 S C -0.720 173.876 174.600 -0.006 0.000 1.137 399 S CA -0.771 57.444 58.200 0.025 0.000 1.045 399 S CB -1.085 62.102 63.200 -0.020 0.000 1.208 399 S HN -0.772 7.572 8.310 0.146 0.053 0.523 400 Q N 7.851 127.643 119.800 -0.012 0.000 2.307 400 Q HA 0.101 4.664 4.340 -0.018 -0.234 0.261 400 Q C -0.397 175.494 176.000 -0.181 0.000 1.051 400 Q CA 0.349 56.108 55.803 -0.073 0.000 0.911 400 Q CB 0.033 28.740 28.738 -0.051 0.000 1.227 400 Q HN -0.262 8.027 8.270 0.032 0.000 0.418 401 R N -0.869 119.587 120.500 -0.073 0.000 2.762 401 R HA 0.345 4.602 4.340 -0.139 0.000 0.271 401 R C -1.290 175.066 176.300 0.093 0.000 1.038 401 R CA -1.661 54.397 56.100 -0.069 0.000 0.906 401 R CB 1.752 31.997 30.300 -0.092 0.000 1.259 401 R HN -0.641 7.637 8.270 0.014 0.000 0.457 402 T N 0.065 114.635 114.554 0.026 0.000 2.946 402 T HA 0.123 4.558 4.350 0.142 0.000 0.311 402 T C 0.697 175.373 174.700 -0.039 0.000 1.063 402 T CA -1.499 60.622 62.100 0.035 0.000 1.139 402 T CB 0.367 69.206 68.868 -0.048 0.000 0.994 402 T HN 0.591 8.807 8.240 -0.039 0.000 0.547 403 P HA -0.006 4.333 4.420 -0.134 0.000 0.230 403 P C 1.784 179.013 177.300 -0.119 0.000 1.158 403 P CA 1.570 64.575 63.100 -0.158 0.000 0.769 403 P CB 0.138 31.693 31.700 -0.243 0.000 0.807 404 R N -1.333 119.096 120.500 -0.118 0.000 2.200 404 R HA -0.240 4.039 4.340 -0.102 0.000 0.234 404 R C 1.483 177.740 176.300 -0.072 0.000 1.127 404 R CA 2.906 58.947 56.100 -0.098 0.000 0.989 404 R CB -0.437 29.804 30.300 -0.098 0.000 0.869 404 R HN -0.574 7.583 8.270 -0.124 0.038 0.459 405 D N -2.895 117.465 120.400 -0.067 0.000 2.355 405 D HA 0.002 4.612 4.640 -0.049 0.000 0.218 405 D C 0.396 176.670 176.300 -0.044 0.000 1.004 405 D CA 1.751 55.719 54.000 -0.053 0.000 0.880 405 D CB 0.828 41.595 40.800 -0.054 0.000 0.911 405 D HN -0.633 7.664 8.370 -0.071 0.031 0.528 406 M N -5.356 114.215 119.600 -0.048 0.000 4.389 406 M HA 0.380 4.841 4.480 -0.032 0.000 0.505 406 M C -0.798 175.481 176.300 -0.036 0.000 2.125 406 M CA -0.146 55.130 55.300 -0.039 0.000 0.468 406 M CB 0.685 33.261 32.600 -0.040 0.000 1.449 406 M HN -0.432 7.665 8.290 -0.058 0.158 0.568 407 M N 1.011 120.592 119.600 -0.032 0.000 2.213 407 M HA -0.196 4.267 4.480 -0.028 0.000 0.263 407 M C 2.105 178.411 176.300 0.010 0.000 1.062 407 M CA 3.511 58.800 55.300 -0.018 0.000 1.105 407 M CB -0.491 32.096 32.600 -0.022 0.000 1.385 407 M HN 0.178 8.448 8.290 -0.033 0.000 0.417 408 G N -3.016 105.788 108.800 0.007 0.000 2.422 408 G HA2 -0.334 3.646 3.960 0.033 0.000 0.218 408 G HA3 -0.334 3.633 3.960 0.012 0.000 0.218 408 G C 0.196 175.103 174.900 0.013 0.000 1.146 408 G CA 1.438 46.549 45.100 0.018 0.000 0.769 408 G HN 0.277 8.567 8.290 -0.001 0.000 0.547 409 Q N -1.686 118.111 119.800 -0.005 0.000 2.269 409 Q HA -0.121 4.385 4.340 -0.014 -0.174 0.201 409 Q C 0.069 176.062 176.000 -0.012 0.000 0.946 409 Q CA 1.471 57.264 55.803 -0.016 0.000 0.877 409 Q CB 0.781 29.497 28.738 -0.037 0.000 0.963 409 Q HN -0.659 7.604 8.270 -0.012 0.000 0.472 410 A N -2.858 119.956 122.820 -0.011 0.000 3.334 410 A HA 0.255 4.706 4.320 -0.023 -0.145 0.201 410 A C 1.385 178.997 177.584 0.047 0.000 2.125 410 A CA 0.082 52.109 52.037 -0.016 0.000 1.573 410 A CB 0.723 19.682 19.000 -0.069 0.000 1.197 410 A HN -0.487 7.559 8.150 -0.011 0.097 0.371 411 C N -0.301 119.043 119.300 0.073 0.000 2.398 411 C HA -0.315 4.310 4.460 0.275 0.000 0.276 411 C C 2.507 177.668 174.990 0.284 0.000 1.222 411 C CA 3.617 62.764 59.018 0.215 0.000 1.746 411 C CB -1.640 26.213 27.740 0.189 0.000 2.039 411 C HN 0.294 8.541 8.230 0.029 0.000 0.470 412 L N -3.082 118.255 121.223 0.190 0.000 2.376 412 L HA -0.223 4.283 4.340 0.276 0.000 0.219 412 L C 1.557 178.505 176.870 0.129 0.000 1.133 412 L CA 1.710 56.666 54.840 0.193 0.000 0.816 412 L CB -1.032 41.110 42.059 0.138 0.000 0.933 412 L HN -0.032 8.277 8.230 0.132 0.000 0.449 413 N N -1.860 116.894 118.700 0.091 0.000 2.309 413 N HA -0.209 4.556 4.740 0.041 0.000 0.182 413 N C 0.484 176.014 175.510 0.033 0.000 1.018 413 N CA 2.630 55.710 53.050 0.050 0.000 0.876 413 N CB 0.464 38.969 38.487 0.029 0.000 0.972 413 N HN -0.520 7.883 8.380 0.088 0.029 0.434 414 C N -3.229 116.096 119.300 0.041 0.000 2.609 414 C HA 0.138 4.555 4.460 -0.071 0.000 0.305 414 C C 0.480 175.367 174.990 -0.171 0.000 1.319 414 C CA 0.066 59.041 59.018 -0.073 0.000 1.793 414 C CB 1.116 28.789 27.740 -0.111 0.000 2.260 414 C HN -0.658 7.614 8.230 0.096 0.015 0.535 415 H N 1.274 120.382 119.070 0.062 0.000 2.482 415 H HA 0.236 4.855 4.556 -0.090 -0.117 0.231 415 H C -0.442 174.909 175.328 0.037 0.000 1.612 415 H CA -0.911 55.139 56.048 0.005 0.000 1.279 415 H CB -1.952 27.867 29.762 0.095 0.000 1.562 415 H HN -0.175 8.245 8.280 0.232 0.000 0.553 416 A N 3.320 126.174 122.820 0.056 0.000 2.070 416 A HA -0.226 4.142 4.320 0.080 0.000 0.220 416 A C 0.629 178.248 177.584 0.058 0.000 1.159 416 A CA 2.440 54.510 52.037 0.054 0.000 0.656 416 A CB 0.071 19.076 19.000 0.009 0.000 0.800 416 A HN -0.199 7.948 8.150 -0.005 0.000 0.453 417 E N -4.969 115.235 120.200 0.006 0.000 2.482 417 E HA -0.163 4.193 4.350 0.011 0.000 0.196 417 E C -0.272 176.402 176.600 0.124 0.000 1.047 417 E CA 0.144 56.535 56.400 -0.016 0.000 0.869 417 E CB -0.174 29.429 29.700 -0.161 0.000 0.836 417 E HN 0.140 8.434 8.360 -0.041 0.041 0.520 418 W N -0.754 120.587 121.300 0.068 0.000 2.689 418 W HA 0.282 5.153 4.660 0.029 -0.194 0.340 418 W C 0.296 176.834 176.519 0.031 0.000 1.060 418 W CA -2.486 54.886 57.345 0.045 0.000 1.218 418 W CB 1.757 31.245 29.460 0.048 0.000 1.410 418 W HN -0.796 7.509 8.180 0.309 0.061 0.528 419 T N -0.501 114.183 114.554 0.216 0.000 2.816 419 T HA 0.268 4.677 4.350 0.098 0.000 0.282 419 T C 0.725 175.444 174.700 0.032 0.000 0.993 419 T CA -1.231 60.924 62.100 0.091 0.000 0.994 419 T CB 1.922 70.807 68.868 0.029 0.000 1.025 419 T HN 0.088 8.736 8.240 0.198 -0.289 0.529 420 E N 0.812 121.017 120.200 0.009 0.000 2.058 420 E HA -0.471 3.868 4.350 -0.018 0.000 0.194 420 E C 1.524 178.070 176.600 -0.090 0.000 0.997 420 E CA 4.429 60.812 56.400 -0.029 0.000 0.801 420 E CB -0.219 29.469 29.700 -0.020 0.000 0.746 420 E HN 0.560 8.931 8.360 0.017 0.000 0.450 421 D N -2.584 117.764 120.400 -0.087 0.000 2.144 421 D HA -0.236 4.351 4.640 -0.089 0.000 0.199 421 D C 2.721 178.910 176.300 -0.185 0.000 0.984 421 D CA 3.203 57.137 54.000 -0.110 0.000 0.834 421 D CB -0.680 40.063 40.800 -0.096 0.000 0.955 421 D HN 0.142 8.473 8.370 -0.065 0.000 0.465 422 Q N -0.404 119.238 119.800 -0.263 0.000 2.084 422 Q HA -0.299 3.802 4.340 -0.398 0.000 0.202 422 Q C 2.333 177.829 176.000 -0.840 0.000 0.978 422 Q CA 2.939 58.450 55.803 -0.487 0.000 0.844 422 Q CB -0.030 28.416 28.738 -0.488 0.000 0.898 422 Q HN -0.599 7.551 8.270 -0.201 0.000 0.426 423 A N 0.051 122.396 122.820 -0.792 0.000 1.902 423 A HA -0.238 3.137 4.320 -1.575 0.000 0.217 423 A C 2.121 179.435 177.584 -0.451 0.000 1.181 423 A CA 3.041 54.578 52.037 -0.833 0.000 0.623 423 A CB -0.743 18.093 19.000 -0.274 0.000 0.818 423 A HN -0.375 7.472 8.150 -0.506 0.000 0.443 424 L N -2.357 118.710 121.223 -0.260 0.000 2.046 424 L HA -0.441 3.799 4.340 -0.167 0.000 0.208 424 L C 2.034 178.855 176.870 -0.083 0.000 1.077 424 L CA 3.164 57.913 54.840 -0.151 0.000 0.747 424 L CB -0.384 41.619 42.059 -0.093 0.000 0.896 424 L HN -0.237 7.852 8.230 -0.234 0.000 0.432 425 Y N -0.230 119.932 120.300 -0.231 0.000 2.181 425 Y HA -0.490 4.012 4.550 -0.080 0.000 0.288 425 Y C 1.205 177.047 175.900 -0.096 0.000 1.146 425 Y CA 3.590 61.605 58.100 -0.142 0.000 1.164 425 Y CB -0.139 38.228 38.460 -0.156 0.000 0.982 425 Y HN -0.372 7.891 8.280 -0.027 0.000 0.515 426 A N -0.671 122.084 122.820 -0.108 0.000 1.902 426 A HA -0.363 3.941 4.320 -0.026 0.000 0.217 426 A C 2.017 179.650 177.584 0.082 0.000 1.181 426 A CA 3.063 55.059 52.037 -0.069 0.000 0.623 426 A CB -1.041 17.831 19.000 -0.213 0.000 0.818 426 A HN -0.406 7.591 8.150 -0.255 0.000 0.443 427 I N -1.742 118.839 120.570 0.019 0.000 2.127 427 I HA -0.642 3.686 4.170 0.262 0.000 0.241 427 I C 1.687 177.853 176.117 0.082 0.000 1.075 427 I CA 4.365 65.695 61.300 0.049 0.000 1.334 427 I CB -0.368 37.495 38.000 -0.228 0.000 1.040 427 I HN -0.504 7.652 8.210 -0.091 0.000 0.405 428 D N -1.103 119.295 120.400 -0.003 0.000 2.178 428 D HA -0.274 4.361 4.640 -0.007 0.000 0.202 428 D C 2.512 178.812 176.300 0.001 0.000 0.974 428 D CA 3.333 57.321 54.000 -0.020 0.000 0.841 428 D CB -0.356 40.406 40.800 -0.063 0.000 0.953 428 D HN -0.350 7.996 8.370 -0.039 0.000 0.478 429 Y N 1.381 121.591 120.300 -0.151 0.000 2.097 429 Y HA -0.436 4.020 4.550 -0.157 0.000 0.282 429 Y C 1.796 177.707 175.900 0.019 0.000 1.152 429 Y CA 4.100 62.123 58.100 -0.129 0.000 1.136 429 Y CB 0.007 38.358 38.460 -0.183 0.000 0.975 429 Y HN -0.309 8.001 8.280 0.050 0.000 0.498 430 I N -1.698 119.076 120.570 0.340 0.000 2.179 430 I HA -0.655 3.723 4.170 0.347 0.000 0.242 430 I C 1.968 178.226 176.117 0.235 0.000 1.088 430 I CA 4.305 65.790 61.300 0.310 0.000 1.357 430 I CB -0.195 37.989 38.000 0.305 0.000 1.051 430 I HN -0.704 7.704 8.210 0.330 0.000 0.409 431 K N 0.040 120.550 120.400 0.184 0.000 2.097 431 K HA -0.187 4.462 4.320 0.152 -0.237 0.205 431 K C 2.842 179.505 176.600 0.106 0.000 1.050 431 K CA 3.228 59.594 56.287 0.131 0.000 0.938 431 K CB -0.257 32.287 32.500 0.073 0.000 0.718 431 K HN -0.212 8.147 8.250 0.180 0.000 0.442 432 N N -0.096 118.641 118.700 0.062 0.000 2.142 432 N HA -0.259 4.515 4.740 0.058 0.000 0.186 432 N C 1.974 177.520 175.510 0.061 0.000 1.023 432 N CA 2.879 55.951 53.050 0.037 0.000 0.852 432 N CB -0.360 38.097 38.487 -0.050 0.000 0.998 432 N HN -0.011 8.395 8.380 0.044 0.000 0.424 433 Y N 1.212 121.468 120.300 -0.072 0.000 2.145 433 Y HA -0.341 4.152 4.550 -0.095 0.000 0.286 433 Y C 1.783 177.679 175.900 -0.006 0.000 1.145 433 Y CA 4.131 62.190 58.100 -0.070 0.000 1.148 433 Y CB 0.089 38.502 38.460 -0.078 0.000 0.981 433 Y HN -0.264 8.100 8.280 0.140 0.000 0.507 434 T N 1.972 116.519 114.554 -0.012 0.000 2.708 434 T HA -0.395 3.821 4.350 -0.223 0.000 0.266 434 T C 1.476 176.157 174.700 -0.033 0.000 1.037 434 T CA 5.391 67.444 62.100 -0.079 0.000 1.146 434 T CB -0.499 68.394 68.868 0.041 0.000 0.865 434 T HN -0.137 8.186 8.240 0.139 0.000 0.435 435 H N 2.935 121.985 119.070 -0.033 0.000 2.387 435 H HA -0.353 4.228 4.556 0.042 0.000 0.299 435 H C 1.720 177.034 175.328 -0.024 0.000 1.090 435 H CA 3.856 59.906 56.048 0.004 0.000 1.332 435 H CB -0.250 29.521 29.762 0.015 0.000 1.386 435 H HN 0.151 8.542 8.280 0.185 0.000 0.516 436 G N -1.677 107.060 108.800 -0.106 0.000 2.440 436 G HA2 -0.407 3.455 3.960 -0.163 0.000 0.218 436 G HA3 -0.407 3.462 3.960 -0.151 0.000 0.218 436 G C 1.311 176.095 174.900 -0.193 0.000 1.154 436 G CA 2.118 47.117 45.100 -0.169 0.000 0.767 436 G HN -0.084 8.182 8.290 -0.040 0.000 0.552 437 K N 1.667 121.918 120.400 -0.249 0.000 2.155 437 K HA -0.167 4.074 4.320 -0.133 0.000 0.203 437 K C 2.484 179.068 176.600 -0.027 0.000 1.052 437 K CA 1.563 57.746 56.287 -0.174 0.000 0.948 437 K CB -0.558 31.770 32.500 -0.286 0.000 0.728 437 K HN -0.713 7.343 8.250 -0.323 0.000 0.448 438 I N 0.628 121.195 120.570 -0.006 0.000 2.179 438 I HA -0.483 3.881 4.170 0.323 0.000 0.242 438 I C 1.670 177.847 176.117 0.099 0.000 1.088 438 I CA 4.460 65.857 61.300 0.161 0.000 1.357 438 I CB -0.120 37.983 38.000 0.171 0.000 1.051 438 I HN -0.168 8.008 8.210 -0.058 0.000 0.409 439 V N -0.255 119.598 119.914 -0.102 0.000 2.343 439 V HA -0.540 3.551 4.120 -0.047 0.000 0.247 439 V C 2.026 178.127 176.094 0.011 0.000 1.051 439 V CA 4.888 67.135 62.300 -0.089 0.000 1.036 439 V CB -1.065 30.638 31.823 -0.201 0.000 0.654 439 V HN -0.080 7.971 8.190 -0.231 0.000 0.451 440 K N -1.396 119.023 120.400 0.032 0.000 2.097 440 K HA -0.398 4.008 4.320 0.143 0.000 0.206 440 K C 2.376 179.147 176.600 0.286 0.000 1.049 440 K CA 3.730 60.110 56.287 0.155 0.000 0.933 440 K CB -0.391 32.193 32.500 0.140 0.000 0.717 440 K HN -0.168 8.075 8.250 -0.011 0.000 0.442 441 S N 0.739 116.558 115.700 0.199 0.000 2.368 441 S HA -0.254 4.373 4.470 0.262 0.000 0.225 441 S C 2.148 176.756 174.600 0.013 0.000 1.030 441 S CA 3.980 62.297 58.200 0.195 0.000 0.999 441 S CB -0.641 62.718 63.200 0.264 0.000 0.844 441 S HN -0.028 8.376 8.310 0.158 0.000 0.459 442 E N 1.787 121.913 120.200 -0.123 0.000 2.106 442 E HA -0.415 3.585 4.350 -0.583 0.000 0.192 442 E C 1.925 178.424 176.600 -0.168 0.000 0.984 442 E CA 2.953 59.166 56.400 -0.312 0.000 0.806 442 E CB -0.084 29.482 29.700 -0.224 0.000 0.750 442 E HN -0.275 8.062 8.360 -0.039 0.000 0.458 443 Y N 2.119 122.321 120.300 -0.164 0.000 2.097 443 Y HA -0.345 4.059 4.550 -0.242 0.000 0.282 443 Y C 1.735 177.442 175.900 -0.321 0.000 1.152 443 Y CA 3.340 61.284 58.100 -0.259 0.000 1.136 443 Y CB 0.021 38.289 38.460 -0.320 0.000 0.975 443 Y HN -0.294 8.051 8.280 0.109 0.000 0.498 444 W N -3.145 118.076 121.300 -0.132 0.000 2.418 444 W HA -0.336 4.144 4.660 -0.301 0.000 0.292 444 W C 2.226 178.608 176.519 -0.228 0.000 1.213 444 W CA 4.035 61.270 57.345 -0.183 0.000 1.283 444 W CB 0.105 29.563 29.460 -0.004 0.000 1.119 444 W HN -0.458 7.850 8.180 0.213 0.000 0.542 445 L N -0.771 120.429 121.223 -0.038 0.000 2.012 445 L HA -0.446 3.823 4.340 -0.119 0.000 0.210 445 L C 2.250 178.975 176.870 -0.243 0.000 1.073 445 L CA 3.280 58.020 54.840 -0.167 0.000 0.748 445 L CB -0.224 41.663 42.059 -0.287 0.000 0.891 445 L HN 0.007 8.221 8.230 -0.027 0.000 0.431 446 A N -2.044 120.605 122.820 -0.284 0.000 1.933 446 A HA -0.374 3.816 4.320 -0.217 0.000 0.218 446 A C 1.448 178.864 177.584 -0.279 0.000 1.175 446 A CA 3.255 55.133 52.037 -0.266 0.000 0.628 446 A CB -0.920 17.924 19.000 -0.261 0.000 0.814 446 A HN 0.145 8.113 8.150 -0.302 0.000 0.444 447 K N -0.870 119.289 120.400 -0.401 0.000 2.026 447 K HA -0.342 3.764 4.320 -0.357 0.000 0.208 447 K C 1.998 178.498 176.600 -0.167 0.000 1.048 447 K CA 3.106 59.170 56.287 -0.370 0.000 0.929 447 K CB -0.093 32.061 32.500 -0.577 0.000 0.713 447 K HN -0.536 7.409 8.250 -0.507 0.000 0.439 448 M N -0.459 119.077 119.600 -0.107 0.000 2.067 448 M HA -0.365 4.109 4.480 -0.010 0.000 0.260 448 M C 2.454 178.767 176.300 0.022 0.000 1.069 448 M CA 3.735 59.017 55.300 -0.031 0.000 1.117 448 M CB 0.028 32.612 32.600 -0.027 0.000 1.334 448 M HN -0.561 7.662 8.290 -0.112 0.000 0.407 449 I N -0.552 119.960 120.570 -0.096 0.000 2.194 449 I HA -0.582 3.540 4.170 -0.080 0.000 0.246 449 I C 1.811 177.963 176.117 0.057 0.000 1.093 449 I CA 3.971 65.223 61.300 -0.081 0.000 1.355 449 I CB -0.357 37.516 38.000 -0.211 0.000 1.046 449 I HN 0.097 8.198 8.210 -0.181 0.000 0.413 450 D N -0.916 119.477 120.400 -0.011 0.000 2.310 450 D HA -0.154 4.496 4.640 0.017 0.000 0.212 450 D C 2.027 178.338 176.300 0.017 0.000 0.965 450 D CA 2.931 56.929 54.000 -0.003 0.000 0.879 450 D CB -0.555 40.210 40.800 -0.059 0.000 0.921 450 D HN -0.249 8.081 8.370 -0.065 0.000 0.510 451 L N -1.433 119.800 121.223 0.016 0.000 2.313 451 L HA -0.248 4.069 4.340 -0.038 0.000 0.214 451 L C 1.245 178.095 176.870 -0.034 0.000 1.119 451 L CA 1.570 56.390 54.840 -0.033 0.000 0.809 451 L CB -0.196 41.808 42.059 -0.092 0.000 0.933 451 L HN -0.648 7.454 8.230 0.016 0.137 0.449 452 F N -0.171 119.748 119.950 -0.052 0.000 2.102 452 F HA -0.256 4.253 4.527 -0.030 0.000 0.298 452 F C -1.089 174.701 175.800 -0.015 0.000 1.105 452 F CA 6.564 64.545 58.000 -0.031 0.000 1.239 452 F CB -3.236 35.750 39.000 -0.024 0.000 0.991 452 F HN -0.440 7.929 8.300 0.338 0.134 0.474 453 P HA -0.270 4.208 4.420 0.097 0.000 0.217 453 P C 0.799 178.122 177.300 0.038 0.000 1.150 453 P CA 3.121 66.273 63.100 0.088 0.000 0.832 453 P CB -0.534 31.206 31.700 0.067 0.000 0.787 454 V N -2.613 117.310 119.914 0.015 0.000 2.343 454 V HA -0.414 3.703 4.120 -0.005 0.000 0.247 454 V C 1.963 178.041 176.094 -0.027 0.000 1.051 454 V CA 4.262 66.555 62.300 -0.011 0.000 1.036 454 V CB -1.103 30.706 31.823 -0.024 0.000 0.654 454 V HN -0.540 7.662 8.190 0.019 0.000 0.451 455 A N -0.467 122.320 122.820 -0.055 0.000 1.902 455 A HA -0.420 3.853 4.320 -0.078 0.000 0.217 455 A C 1.853 179.411 177.584 -0.044 0.000 1.181 455 A CA 3.516 55.503 52.037 -0.084 0.000 0.623 455 A CB -0.654 18.235 19.000 -0.186 0.000 0.818 455 A HN 0.147 8.258 8.150 -0.065 0.000 0.443 456 K N -1.746 118.649 120.400 -0.008 0.000 2.026 456 K HA -0.312 4.015 4.320 0.012 0.000 0.208 456 K C 3.347 179.952 176.600 0.008 0.000 1.048 456 K CA 3.259 59.556 56.287 0.016 0.000 0.929 456 K CB -0.096 32.435 32.500 0.052 0.000 0.713 456 K HN -0.240 8.013 8.250 0.006 0.000 0.439 457 R N -1.231 119.273 120.500 0.007 0.000 2.120 457 R HA -0.233 4.111 4.340 0.006 0.000 0.234 457 R C 1.868 178.165 176.300 -0.004 0.000 1.123 457 R CA 2.478 58.580 56.100 0.003 0.000 0.975 457 R CB -0.264 30.038 30.300 0.003 0.000 0.866 457 R HN -0.257 8.019 8.270 0.010 0.000 0.446 458 A N -3.506 119.307 122.820 -0.012 0.000 2.167 458 A HA 0.060 4.372 4.320 -0.014 0.000 0.214 458 A C -0.083 177.492 177.584 -0.016 0.000 1.151 458 A CA 0.105 52.132 52.037 -0.017 0.000 0.735 458 A CB 0.080 19.064 19.000 -0.026 0.000 0.802 458 A HN -0.326 7.697 8.150 -0.016 0.117 0.467 459 G N -2.355 106.437 108.800 -0.013 0.000 2.160 459 G HA2 -0.382 3.574 3.960 -0.007 0.000 0.244 459 G HA3 -0.382 3.572 3.960 -0.010 0.000 0.244 459 G C -0.389 174.501 174.900 -0.018 0.000 1.022 459 G CA -0.003 45.091 45.100 -0.011 0.000 0.741 459 G HN -0.663 7.455 8.290 -0.011 0.165 0.508 460 V N 0.014 119.910 119.914 -0.029 0.000 2.872 460 V HA -0.092 4.006 4.120 -0.038 0.000 0.307 460 V C 0.131 176.207 176.094 -0.029 0.000 1.072 460 V CA 0.753 63.028 62.300 -0.041 0.000 1.148 460 V CB 0.658 32.437 31.823 -0.072 0.000 0.954 460 V HN -0.569 7.601 8.190 -0.033 0.000 0.490 461 S N 4.650 120.333 115.700 -0.027 0.000 2.579 461 S HA 0.011 4.475 4.470 -0.010 0.000 0.275 461 S C 1.253 175.847 174.600 -0.011 0.000 1.345 461 S CA -0.445 57.745 58.200 -0.015 0.000 1.031 461 S CB 1.117 64.308 63.200 -0.014 0.000 0.892 461 S HN -0.132 8.159 8.310 -0.031 0.000 0.529 462 E N 2.330 122.531 120.200 0.001 0.000 2.110 462 E HA -0.391 3.972 4.350 0.021 0.000 0.193 462 E C 1.565 178.172 176.600 0.011 0.000 0.988 462 E CA 3.787 60.194 56.400 0.013 0.000 0.804 462 E CB -0.428 29.280 29.700 0.014 0.000 0.745 462 E HN 0.706 9.067 8.360 0.002 0.000 0.458 463 D N -2.363 118.038 120.400 0.003 0.000 2.104 463 D HA -0.239 4.404 4.640 0.005 0.000 0.194 463 D C 2.545 178.844 176.300 -0.002 0.000 0.994 463 D CA 3.165 57.166 54.000 0.001 0.000 0.830 463 D CB -0.586 40.212 40.800 -0.002 0.000 0.959 463 D HN 0.199 8.569 8.370 -0.000 0.000 0.452 464 V N 0.141 120.045 119.914 -0.016 0.000 2.358 464 V HA -0.325 3.778 4.120 -0.028 0.000 0.246 464 V C 1.904 177.974 176.094 -0.041 0.000 1.047 464 V CA 4.079 66.359 62.300 -0.035 0.000 1.035 464 V CB -0.442 31.347 31.823 -0.056 0.000 0.658 464 V HN -0.616 7.563 8.190 -0.018 0.000 0.452 465 L N -1.375 119.831 121.223 -0.029 0.000 2.083 465 L HA -0.499 3.788 4.340 -0.089 0.000 0.209 465 L C 2.089 179.033 176.870 0.123 0.000 1.083 465 L CA 3.347 58.199 54.840 0.019 0.000 0.752 465 L CB -0.875 41.233 42.059 0.082 0.000 0.899 465 L HN -0.268 7.949 8.230 -0.022 0.000 0.433 466 N N -1.671 117.073 118.700 0.073 0.000 2.244 466 N HA -0.317 4.472 4.740 0.082 0.000 0.183 466 N C 2.465 178.011 175.510 0.060 0.000 1.016 466 N CA 2.876 55.964 53.050 0.064 0.000 0.866 466 N CB -0.443 38.060 38.487 0.027 0.000 0.980 466 N HN 0.103 8.511 8.380 0.047 0.000 0.430 467 Q N 0.377 120.202 119.800 0.042 0.000 2.050 467 Q HA -0.313 4.048 4.340 0.035 0.000 0.202 467 Q C 2.144 178.187 176.000 0.072 0.000 0.980 467 Q CA 3.225 59.051 55.803 0.039 0.000 0.840 467 Q CB -0.087 28.659 28.738 0.015 0.000 0.898 467 Q HN -0.331 7.956 8.270 0.028 0.000 0.424 468 A N -0.770 122.101 122.820 0.084 0.000 1.933 468 A HA -0.377 4.010 4.320 0.112 0.000 0.218 468 A C 1.855 179.627 177.584 0.313 0.000 1.175 468 A CA 3.037 55.167 52.037 0.154 0.000 0.628 468 A CB -0.634 18.367 19.000 0.003 0.000 0.814 468 A HN -0.134 8.047 8.150 0.051 0.000 0.444 469 R N -2.219 118.469 120.500 0.313 0.000 2.096 469 R HA -0.345 4.139 4.340 0.239 0.000 0.235 469 R C 2.613 178.992 176.300 0.133 0.000 1.127 469 R CA 3.672 59.895 56.100 0.206 0.000 0.968 469 R CB -0.164 30.192 30.300 0.095 0.000 0.861 469 R HN -0.112 8.328 8.270 0.283 0.000 0.440 470 E N -0.889 119.371 120.200 0.100 0.000 2.077 470 E HA -0.264 4.112 4.350 0.044 0.000 0.193 470 E C 2.292 178.980 176.600 0.146 0.000 0.989 470 E CA 2.547 58.993 56.400 0.076 0.000 0.800 470 E CB -0.289 29.432 29.700 0.036 0.000 0.746 470 E HN -0.511 7.905 8.360 0.093 0.000 0.452 471 L N -1.617 119.702 121.223 0.160 0.000 2.083 471 L HA -0.390 4.059 4.340 0.181 0.000 0.209 471 L C 1.621 178.643 176.870 0.254 0.000 1.083 471 L CA 3.062 58.012 54.840 0.185 0.000 0.752 471 L CB -0.389 41.755 42.059 0.142 0.000 0.899 471 L HN -0.634 7.683 8.230 0.145 0.000 0.433 472 H N 0.539 119.681 119.070 0.120 0.000 2.353 472 H HA -0.414 4.191 4.556 0.081 0.000 0.300 472 H C 2.070 177.452 175.328 0.091 0.000 1.090 472 H CA 2.938 59.028 56.048 0.070 0.000 1.327 472 H CB 0.545 30.280 29.762 -0.046 0.000 1.383 472 H HN -0.161 8.222 8.280 0.318 0.088 0.508 473 Y N 0.083 120.397 120.300 0.025 0.000 2.081 473 Y HA -0.509 3.940 4.550 -0.169 0.000 0.280 473 Y C 1.511 177.442 175.900 0.052 0.000 1.163 473 Y CA 4.241 62.306 58.100 -0.058 0.000 1.135 473 Y CB -0.295 38.112 38.460 -0.087 0.000 0.970 473 Y HN -0.441 7.991 8.280 0.254 0.000 0.498 474 D N -2.113 118.503 120.400 0.360 0.000 2.117 474 D HA -0.348 4.381 4.640 0.149 0.000 0.198 474 D C 2.157 178.620 176.300 0.273 0.000 0.982 474 D CA 3.413 57.585 54.000 0.287 0.000 0.828 474 D CB -0.866 40.184 40.800 0.417 0.000 0.967 474 D HN -0.488 8.108 8.370 0.377 0.000 0.464 475 A N -0.308 122.702 122.820 0.317 0.000 1.908 475 A HA -0.368 4.160 4.320 0.347 0.000 0.218 475 A C 1.692 179.487 177.584 0.351 0.000 1.181 475 A CA 3.051 55.282 52.037 0.324 0.000 0.627 475 A CB -0.538 18.616 19.000 0.258 0.000 0.818 475 A HN -0.077 8.257 8.150 0.308 0.000 0.445 476 H N -0.154 119.064 119.070 0.247 0.000 2.293 476 H HA -0.330 4.541 4.556 0.525 0.000 0.300 476 H C 2.106 177.520 175.328 0.143 0.000 1.082 476 H CA 4.104 60.320 56.048 0.279 0.000 1.308 476 H CB 0.463 30.253 29.762 0.046 0.000 1.375 476 H HN -0.194 8.329 8.280 0.406 0.000 0.495 477 L N -0.409 120.799 121.223 -0.024 0.000 2.013 477 L HA -0.389 3.828 4.340 -0.205 0.000 0.212 477 L C 1.341 178.076 176.870 -0.225 0.000 1.073 477 L CA 3.207 57.886 54.840 -0.268 0.000 0.753 477 L CB -0.349 41.394 42.059 -0.526 0.000 0.890 477 L HN -0.191 8.003 8.230 -0.060 0.000 0.432 478 Y N -5.762 114.629 120.300 0.151 0.000 2.583 478 Y HA -0.024 4.605 4.550 0.131 0.000 0.293 478 Y C 1.663 177.780 175.900 0.363 0.000 1.157 478 Y CA 1.210 59.433 58.100 0.204 0.000 1.315 478 Y CB -0.759 37.833 38.460 0.220 0.000 1.021 478 Y HN -0.306 7.941 8.280 -0.055 0.000 0.536 479 W N 0.581 122.021 121.300 0.232 0.000 2.633 479 W HA -0.102 4.757 4.660 0.333 0.000 0.295 479 W C 0.911 177.515 176.519 0.143 0.000 1.133 479 W CA 1.933 59.407 57.345 0.216 0.000 1.490 479 W CB 1.117 30.634 29.460 0.095 0.000 1.127 479 W HN -0.575 7.820 8.180 0.418 0.036 0.538 480 E N 2.506 122.215 120.200 -0.818 0.000 2.204 480 E HA -0.319 2.672 4.350 -2.265 0.000 0.194 480 E C 1.886 178.014 176.600 -0.787 0.000 0.989 480 E CA 2.632 58.182 56.400 -1.416 0.000 0.824 480 E CB 0.021 28.987 29.700 -1.223 0.000 0.756 480 E HN 0.152 8.246 8.360 -0.443 0.000 0.477 481 W N -0.245 120.571 121.300 -0.805 0.000 2.305 481 W HA -0.387 3.760 4.660 -0.855 0.000 0.308 481 W C 1.813 177.693 176.519 -1.064 0.000 1.226 481 W CA 3.650 60.401 57.345 -0.990 0.000 1.253 481 W CB -0.033 28.713 29.460 -1.190 0.000 1.146 481 W HN -0.587 7.399 8.180 -0.301 0.014 0.507 482 W N -6.131 115.111 121.300 -0.095 0.000 2.812 482 W HA -0.193 4.481 4.660 0.022 0.000 0.263 482 W C 1.022 177.459 176.519 -0.137 0.000 1.284 482 W CA 2.102 59.416 57.345 -0.051 0.000 1.430 482 W CB 0.149 29.628 29.460 0.032 0.000 1.088 482 W HN -0.356 7.579 8.180 -0.368 0.024 0.623 483 T N -4.451 109.985 114.554 -0.198 0.000 2.942 483 T HA -0.085 4.245 4.350 -0.032 0.000 0.265 483 T C 1.106 175.684 174.700 -0.203 0.000 1.062 483 T CA 1.819 63.815 62.100 -0.173 0.000 1.139 483 T CB -0.150 68.575 68.868 -0.239 0.000 0.883 483 T HN -0.822 7.168 8.240 -0.418 0.000 0.468 484 A N 2.425 125.042 122.820 -0.338 0.000 1.897 484 A HA -0.145 4.077 4.320 -0.163 0.000 0.215 484 A C 0.678 178.117 177.584 -0.242 0.000 1.181 484 A CA 1.321 53.174 52.037 -0.307 0.000 0.620 484 A CB 0.261 18.940 19.000 -0.534 0.000 0.821 484 A HN -0.278 7.594 8.150 -0.463 0.000 0.443 485 E N -1.879 118.133 120.200 -0.313 0.000 2.338 485 E HA -0.054 4.345 4.350 -0.177 -0.155 0.272 485 E C 0.657 177.247 176.600 -0.016 0.000 1.029 485 E CA -0.282 56.003 56.400 -0.192 0.000 0.872 485 E CB 0.635 30.164 29.700 -0.285 0.000 1.015 485 E HN -0.582 7.544 8.360 -0.391 0.000 0.417 486 N N 6.175 124.893 118.700 0.031 0.000 2.422 486 N HA -0.013 4.731 4.740 0.007 0.000 0.181 486 N C 0.610 176.106 175.510 -0.023 0.000 1.080 486 N CA 2.015 55.076 53.050 0.018 0.000 0.893 486 N CB 0.647 39.157 38.487 0.039 0.000 0.973 486 N HN 0.309 8.998 8.380 0.063 -0.272 0.456 487 S N -1.545 114.108 115.700 -0.078 0.000 2.593 487 S HA 0.120 4.481 4.470 -0.180 0.000 0.217 487 S C 0.627 175.243 174.600 0.027 0.000 0.966 487 S CA 0.250 58.337 58.200 -0.188 0.000 0.914 487 S CB 0.563 63.315 63.200 -0.747 0.000 0.776 487 S HN -0.390 8.207 8.310 -0.039 -0.310 0.523 488 V N 0.794 120.771 119.914 0.106 0.000 5.691 488 V HA -0.434 3.815 4.120 0.214 0.000 0.288 488 V C 0.439 176.650 176.094 0.195 0.000 0.615 488 V CA 0.393 62.793 62.300 0.166 0.000 0.619 488 V CB -3.058 28.833 31.823 0.113 0.000 0.296 488 V HN -0.362 7.839 8.190 0.107 0.053 0.834 489 G N -1.301 107.654 108.800 0.257 0.000 2.253 489 G HA2 -0.510 3.580 3.960 0.217 0.000 0.251 489 G HA3 -0.510 3.523 3.960 0.122 0.000 0.251 489 G C 0.710 175.734 174.900 0.206 0.000 0.998 489 G CA 0.926 46.146 45.100 0.201 0.000 0.621 489 G HN 0.005 8.498 8.290 0.338 0.000 0.524 490 F N 2.328 122.334 119.950 0.092 0.000 2.161 490 F HA -0.419 4.200 4.527 0.154 0.000 0.300 490 F C 0.685 176.648 175.800 0.273 0.000 1.089 490 F CA 3.378 61.454 58.000 0.126 0.000 1.282 490 F CB 0.249 39.279 39.000 0.051 0.000 1.010 490 F HN -0.709 7.609 8.300 0.295 0.159 0.485 491 H N -5.235 114.028 119.070 0.321 0.000 2.456 491 H HA -0.281 4.515 4.556 0.401 0.000 0.296 491 H C -0.570 174.921 175.328 0.272 0.000 1.079 491 H CA 2.141 58.403 56.048 0.356 0.000 1.322 491 H CB 0.892 30.898 29.762 0.406 0.000 1.388 491 H HN -0.501 7.915 8.280 0.245 0.011 0.538 492 N N -4.254 114.633 118.700 0.313 0.000 2.946 492 N HA 0.281 5.100 4.740 0.130 0.000 0.213 492 N C -2.565 173.003 175.510 0.097 0.000 1.440 492 N CA -1.724 51.448 53.050 0.202 0.000 0.745 492 N CB -0.091 38.572 38.487 0.293 0.000 1.471 492 N HN -0.746 7.798 8.380 0.307 0.020 0.569 493 P HA 0.006 4.520 4.420 0.001 -0.093 0.217 493 P C 0.917 178.206 177.300 -0.018 0.000 1.150 493 P CA 2.367 65.468 63.100 0.000 0.000 0.832 493 P CB 0.603 32.305 31.700 0.004 0.000 0.787 494 D N -1.656 118.742 120.400 -0.004 0.000 2.144 494 D HA -0.217 4.426 4.640 0.005 0.000 0.200 494 D C 2.045 178.352 176.300 0.012 0.000 0.978 494 D CA 3.405 57.407 54.000 0.004 0.000 0.833 494 D CB -0.686 40.118 40.800 0.007 0.000 0.961 494 D HN 0.149 8.520 8.370 0.001 0.000 0.470 495 Q N 1.069 120.890 119.800 0.034 0.000 2.083 495 Q HA -0.314 4.154 4.340 0.212 0.000 0.198 495 Q C 1.967 177.859 176.000 -0.181 0.000 0.969 495 Q CA 2.984 58.846 55.803 0.099 0.000 0.838 495 Q CB 0.039 28.912 28.738 0.226 0.000 0.900 495 Q HN -0.710 7.784 8.270 0.049 -0.195 0.436 496 A N -0.252 122.195 122.820 -0.623 0.000 1.883 496 A HA -0.436 2.214 4.320 -2.782 0.000 0.217 496 A C 1.458 178.614 177.584 -0.713 0.000 1.186 496 A CA 3.509 54.659 52.037 -1.479 0.000 0.624 496 A CB -0.853 17.425 19.000 -1.203 0.000 0.822 496 A HN -0.262 7.629 8.150 -0.432 0.000 0.444 497 R N -1.527 118.801 120.500 -0.287 0.000 2.070 497 R HA -0.372 3.911 4.340 -0.095 0.000 0.233 497 R C 1.813 178.083 176.300 -0.049 0.000 1.137 497 R CA 3.534 59.587 56.100 -0.079 0.000 0.945 497 R CB -0.144 30.217 30.300 0.100 0.000 0.845 497 R HN -0.412 7.730 8.270 -0.213 0.000 0.430 498 E N -1.497 118.706 120.200 0.005 0.000 2.077 498 E HA -0.335 4.032 4.350 0.029 0.000 0.193 498 E C 2.269 178.957 176.600 0.146 0.000 0.989 498 E CA 3.185 59.630 56.400 0.076 0.000 0.800 498 E CB -0.082 29.691 29.700 0.121 0.000 0.746 498 E HN -0.499 7.865 8.360 0.008 0.000 0.452 499 S N 0.601 116.409 115.700 0.179 0.000 2.356 499 S HA -0.204 4.407 4.470 0.235 0.000 0.223 499 S C 2.227 176.918 174.600 0.153 0.000 1.032 499 S CA 3.612 61.924 58.200 0.187 0.000 1.005 499 S CB -0.341 63.013 63.200 0.256 0.000 0.867 499 S HN -0.301 8.068 8.310 0.098 0.000 0.449 500 L N 1.350 122.572 121.223 -0.001 0.000 2.093 500 L HA -0.274 4.185 4.340 0.197 0.000 0.208 500 L C 2.529 179.439 176.870 0.066 0.000 1.085 500 L CA 2.981 57.858 54.840 0.062 0.000 0.755 500 L CB -0.087 41.931 42.059 -0.069 0.000 0.904 500 L HN 0.046 8.176 8.230 -0.165 0.000 0.435 501 M N -2.226 117.383 119.600 0.016 0.000 2.213 501 M HA -0.462 4.016 4.480 -0.003 0.000 0.263 501 M C 2.270 178.576 176.300 0.009 0.000 1.062 501 M CA 4.562 59.864 55.300 0.004 0.000 1.105 501 M CB -0.365 32.230 32.600 -0.007 0.000 1.385 501 M HN -0.178 8.109 8.290 -0.005 0.000 0.417 502 T N 2.266 116.834 114.554 0.023 0.000 2.777 502 T HA -0.329 4.009 4.350 -0.020 0.000 0.266 502 T C 1.761 176.533 174.700 0.119 0.000 1.040 502 T CA 5.122 67.224 62.100 0.004 0.000 1.141 502 T CB -0.754 68.021 68.868 -0.155 0.000 0.868 502 T HN -0.338 7.834 8.240 0.032 0.087 0.444 503 S N 3.244 119.081 115.700 0.229 0.000 2.353 503 S HA -0.342 4.349 4.470 0.368 0.000 0.222 503 S C 1.850 176.550 174.600 0.167 0.000 1.035 503 S CA 4.008 62.385 58.200 0.296 0.000 1.025 503 S CB -0.644 62.779 63.200 0.373 0.000 0.902 503 S HN -0.299 8.155 8.310 0.241 0.000 0.440 504 I N 0.308 120.934 120.570 0.092 0.000 2.208 504 I HA -0.585 3.590 4.170 0.009 0.000 0.245 504 I C 1.430 177.452 176.117 -0.158 0.000 1.097 504 I CA 4.530 65.804 61.300 -0.044 0.000 1.363 504 I CB -0.184 37.757 38.000 -0.097 0.000 1.051 504 I HN -0.260 8.010 8.210 0.100 0.000 0.413 505 S N 0.636 116.279 115.700 -0.094 0.000 2.368 505 S HA -0.319 4.049 4.470 -0.171 0.000 0.225 505 S C 2.251 176.820 174.600 -0.052 0.000 1.030 505 S CA 3.874 62.012 58.200 -0.104 0.000 0.999 505 S CB -0.739 62.426 63.200 -0.058 0.000 0.844 505 S HN -0.248 8.032 8.310 -0.049 0.000 0.459 506 K N 1.410 121.831 120.400 0.035 0.000 2.057 506 K HA -0.178 4.184 4.320 0.070 0.000 0.206 506 K C 2.590 179.229 176.600 0.065 0.000 1.050 506 K CA 2.604 58.942 56.287 0.085 0.000 0.935 506 K CB -0.567 32.045 32.500 0.186 0.000 0.715 506 K HN -0.140 8.151 8.250 0.068 0.000 0.439 507 S N 0.856 116.595 115.700 0.066 0.000 2.368 507 S HA -0.214 4.308 4.470 0.085 0.000 0.225 507 S C 2.230 176.857 174.600 0.044 0.000 1.030 507 S CA 3.744 61.992 58.200 0.081 0.000 0.999 507 S CB -0.610 62.683 63.200 0.155 0.000 0.844 507 S HN -0.081 8.274 8.310 0.075 0.000 0.459 508 K N 1.084 121.413 120.400 -0.117 0.000 2.057 508 K HA -0.380 3.838 4.320 -0.171 0.000 0.207 508 K C 1.830 178.382 176.600 -0.080 0.000 1.049 508 K CA 3.663 59.816 56.287 -0.223 0.000 0.931 508 K CB -0.200 32.002 32.500 -0.496 0.000 0.714 508 K HN -0.067 8.070 8.250 -0.189 0.000 0.440 509 E N -0.637 119.530 120.200 -0.056 0.000 2.077 509 E HA -0.333 3.997 4.350 -0.032 0.000 0.193 509 E C 2.074 178.674 176.600 -0.001 0.000 0.989 509 E CA 2.994 59.381 56.400 -0.022 0.000 0.800 509 E CB -0.054 29.643 29.700 -0.005 0.000 0.746 509 E HN -0.515 7.809 8.360 -0.060 0.000 0.452 510 A N -0.545 122.287 122.820 0.020 0.000 1.930 510 A HA -0.352 3.972 4.320 0.008 0.000 0.217 510 A C 1.620 179.200 177.584 -0.006 0.000 1.175 510 A CA 3.297 55.345 52.037 0.018 0.000 0.627 510 A CB -0.370 18.666 19.000 0.059 0.000 0.815 510 A HN -0.378 7.790 8.150 0.030 0.000 0.443 511 V N -1.201 118.732 119.914 0.032 0.000 2.332 511 V HA -0.533 3.594 4.120 0.012 0.000 0.248 511 V C 1.766 177.871 176.094 0.019 0.000 1.055 511 V CA 5.018 67.346 62.300 0.047 0.000 1.038 511 V CB -0.935 30.992 31.823 0.174 0.000 0.651 511 V HN 0.097 8.321 8.190 0.056 0.000 0.450 512 S N 0.408 116.118 115.700 0.016 0.000 2.368 512 S HA -0.270 4.208 4.470 0.013 0.000 0.224 512 S C 1.816 176.405 174.600 -0.019 0.000 1.029 512 S CA 3.456 61.658 58.200 0.003 0.000 0.988 512 S CB -0.424 62.773 63.200 -0.005 0.000 0.838 512 S HN -0.457 7.863 8.310 0.016 0.000 0.462 513 L N 2.287 123.492 121.223 -0.029 0.000 2.017 513 L HA -0.316 4.002 4.340 -0.036 0.000 0.208 513 L C 1.339 178.165 176.870 -0.073 0.000 1.073 513 L CA 3.223 58.036 54.840 -0.045 0.000 0.745 513 L CB -0.055 41.978 42.059 -0.043 0.000 0.894 513 L HN -0.424 7.792 8.230 -0.024 0.000 0.432 514 L N -1.962 119.198 121.223 -0.105 0.000 2.027 514 L HA -0.502 3.736 4.340 -0.171 0.000 0.206 514 L C 2.162 178.972 176.870 -0.101 0.000 1.074 514 L CA 3.463 58.211 54.840 -0.153 0.000 0.745 514 L CB -0.740 41.174 42.059 -0.242 0.000 0.898 514 L HN -0.048 8.122 8.230 -0.099 0.000 0.433 515 N N -0.695 117.966 118.700 -0.065 0.000 2.069 515 N HA -0.339 4.374 4.740 -0.046 0.000 0.191 515 N C 2.309 177.798 175.510 -0.036 0.000 1.031 515 N CA 3.266 56.292 53.050 -0.041 0.000 0.852 515 N CB -0.609 37.870 38.487 -0.014 0.000 1.018 515 N HN -0.112 8.235 8.380 -0.055 0.000 0.423 516 D N -0.144 120.237 120.400 -0.032 0.000 2.117 516 D HA -0.239 4.388 4.640 -0.021 0.000 0.197 516 D C 1.922 178.202 176.300 -0.034 0.000 0.987 516 D CA 3.334 57.317 54.000 -0.027 0.000 0.829 516 D CB -0.514 40.272 40.800 -0.023 0.000 0.961 516 D HN -0.254 8.097 8.370 -0.032 0.000 0.460 517 A N -0.616 122.176 122.820 -0.048 0.000 1.930 517 A HA -0.205 4.090 4.320 -0.041 0.000 0.217 517 A C 2.252 179.807 177.584 -0.048 0.000 1.175 517 A CA 2.912 54.919 52.037 -0.051 0.000 0.627 517 A CB -0.487 18.472 19.000 -0.067 0.000 0.815 517 A HN -0.500 7.616 8.150 -0.056 0.000 0.443 518 I N -1.460 119.077 120.570 -0.055 0.000 2.202 518 I HA -0.598 3.544 4.170 -0.046 0.000 0.242 518 I C 1.479 177.577 176.117 -0.032 0.000 1.091 518 I CA 4.516 65.788 61.300 -0.046 0.000 1.368 518 I CB -0.185 37.785 38.000 -0.051 0.000 1.058 518 I HN -0.064 8.109 8.210 -0.062 0.000 0.410 519 D N -0.409 119.975 120.400 -0.028 0.000 2.144 519 D HA -0.302 4.327 4.640 -0.018 0.000 0.199 519 D C 2.371 178.660 176.300 -0.018 0.000 0.984 519 D CA 3.482 57.470 54.000 -0.020 0.000 0.834 519 D CB -0.691 40.100 40.800 -0.016 0.000 0.955 519 D HN -0.154 8.197 8.370 -0.031 0.000 0.465 520 A N -1.333 121.474 122.820 -0.020 0.000 1.969 520 A HA -0.169 4.143 4.320 -0.015 0.000 0.218 520 A C 2.016 179.590 177.584 -0.017 0.000 1.169 520 A CA 2.624 54.651 52.037 -0.017 0.000 0.635 520 A CB -0.558 18.430 19.000 -0.019 0.000 0.810 520 A HN -0.430 7.695 8.150 -0.024 0.011 0.445 521 Q N -2.846 116.942 119.800 -0.020 0.000 2.172 521 Q HA -0.160 4.171 4.340 -0.016 0.000 0.200 521 Q C 1.932 177.923 176.000 -0.014 0.000 0.964 521 Q CA 1.675 57.468 55.803 -0.017 0.000 0.855 521 Q CB 0.147 28.872 28.738 -0.021 0.000 0.918 521 Q HN -0.391 7.776 8.270 -0.023 0.089 0.444 522 V N -3.735 116.170 119.914 -0.015 0.000 2.591 522 V HA -0.091 4.022 4.120 -0.011 0.000 0.249 522 V C -0.388 175.700 176.094 -0.010 0.000 1.053 522 V CA 1.299 63.592 62.300 -0.012 0.000 1.068 522 V CB 0.322 32.137 31.823 -0.012 0.000 0.689 522 V HN -0.412 7.681 8.190 -0.017 0.087 0.462 523 A N 0.000 122.814 122.820 -0.010 0.000 2.254 523 A HA 0.000 nan 4.320 nan 0.000 0.244 523 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 523 A CB 0.000 19.000 19.000 0.000 0.000 0.831 523 A HN 0.000 8.050 8.150 -0.012 0.093 0.486