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 2gy7_1_B DATA FIRST_RESID 23 DATA SEQUENCE AMDLILINSL PLVSDAETSL TcIASGWRPH EPITIGRDFE ALMNQHQDPL DATA SEQUENCE EVTQDVTREW AKKVVWKREK ASKINGAYFc EGRVRGEAIR IRTMKMRQQA DATA SEQUENCE SFLPATLTMT VDKGDNVNIS FKKVLIKEED AVIYKNGSFI HSVPRHEVPD DATA SEQUENCE ILEVHLPHAQ PQDAGVYSAR YIGGNLFTSA FTRLIVRRcE AQKWGPEcNH DATA SEQUENCE LcTAcMNNGV cHEDTGEcIc PPGFMGRTcE KAcELHTFGR TcKERcSGQE DATA SEQUENCE GcKSYVFcLP DPYGcScATG WKGLQcNEAc HPGFYGPDcK LRcScNNGEM DATA SEQUENCE cDRFQGcLcS PGWQGLQcER EGIPRMTPKI VDLPDHIEVN SGKFNPIcKA DATA SEQUENCE SGWPLPTNEE MTLVKPDGTV LHPKDFNHTD HFSVAIFTIH RILPPDSGVW DATA SEQUENCE VcSVNTVAGM VEKPFNISVK VLP 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 23 A HA 0.000 nan 4.320 nan 0.000 0.244 23 A C 0.000 177.182 177.584 -0.671 0.000 1.274 23 A CA 0.000 51.841 52.037 -0.326 0.000 0.836 23 A CB 0.000 18.855 19.000 -0.242 0.000 0.831 24 M N -0.070 118.979 119.600 -0.918 0.000 2.437 24 M HA 0.442 4.922 4.480 -0.000 0.000 0.203 24 M C -2.361 173.370 176.300 -0.948 0.000 0.957 24 M CA -0.389 53.830 55.300 -1.801 0.000 0.872 24 M CB -0.103 31.488 32.600 -1.683 0.000 2.556 24 M HN 0.035 nan 8.290 nan 0.000 0.428 25 D N 3.495 123.465 120.400 -0.717 0.000 2.472 25 D HA 0.668 5.308 4.640 -0.000 0.000 0.234 25 D C -1.575 174.833 176.300 0.180 0.000 1.088 25 D CA -0.095 53.820 54.000 -0.141 0.000 0.882 25 D CB 0.913 41.692 40.800 -0.035 0.000 1.037 25 D HN 0.598 nan 8.370 nan 0.000 0.520 26 L N 3.972 125.297 121.223 0.170 0.000 2.344 26 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 26 L C -0.601 176.388 176.870 0.199 0.000 1.035 26 L CA -0.691 54.315 54.840 0.276 0.000 0.807 26 L CB 1.551 43.769 42.059 0.264 0.000 1.237 26 L HN 0.472 nan 8.230 nan 0.000 0.442 27 I N 4.534 125.231 120.570 0.212 0.000 2.586 27 I HA 0.181 4.351 4.170 -0.000 0.000 0.281 27 I C -1.133 175.080 176.117 0.160 0.000 1.145 27 I CA -0.408 61.016 61.300 0.206 0.000 1.073 27 I CB 1.595 39.779 38.000 0.308 0.000 1.238 27 I HN 0.278 nan 8.210 nan 0.000 0.461 28 L N 6.837 128.129 121.223 0.115 0.000 2.380 28 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 28 L C -0.565 176.298 176.870 -0.012 0.000 1.138 28 L CA 0.205 55.075 54.840 0.050 0.000 0.832 28 L CB 1.195 43.287 42.059 0.054 0.000 1.124 28 L HN 0.514 nan 8.230 nan 0.000 0.454 29 I N 5.075 125.587 120.570 -0.097 0.000 2.474 29 I HA 0.274 4.444 4.170 -0.000 0.000 0.294 29 I C -0.093 175.898 176.117 -0.210 0.000 1.005 29 I CA -0.609 60.540 61.300 -0.251 0.000 1.113 29 I CB 1.896 39.676 38.000 -0.367 0.000 1.289 29 I HN 0.561 nan 8.210 nan 0.000 0.436 30 N N 4.394 122.959 118.700 -0.226 0.000 2.518 30 N HA 0.107 4.847 4.740 -0.000 0.000 0.254 30 N C -0.787 174.631 175.510 -0.152 0.000 0.979 30 N CA -0.085 52.883 53.050 -0.137 0.000 0.930 30 N CB 1.626 40.067 38.487 -0.077 0.000 1.152 30 N HN 0.476 nan 8.380 nan 0.000 0.505 31 S N 5.488 121.114 115.700 -0.124 0.000 2.686 31 S HA 0.189 4.658 4.470 -0.000 0.000 0.324 31 S C 0.477 175.052 174.600 -0.041 0.000 1.172 31 S CA -0.395 57.753 58.200 -0.088 0.000 1.127 31 S CB -0.985 62.176 63.200 -0.065 0.000 1.338 31 S HN 0.577 nan 8.310 nan 0.000 0.547 32 L N 5.035 126.235 121.223 -0.037 0.000 3.181 32 L HA -0.122 4.217 4.340 -0.000 0.000 0.569 32 L C -1.417 175.441 176.870 -0.020 0.000 1.002 32 L CA -0.418 54.410 54.840 -0.020 0.000 1.276 32 L CB -0.544 41.509 42.059 -0.011 0.000 1.285 32 L HN 0.533 nan 8.230 nan 0.000 0.642 33 P HA -0.120 nan 4.420 nan 0.000 0.228 33 P C 0.550 177.856 177.300 0.010 0.000 1.151 33 P CA 1.099 64.201 63.100 0.003 0.000 0.770 33 P CB 0.293 32.013 31.700 0.035 0.000 0.786 34 L N 0.825 122.053 121.223 0.009 0.000 2.315 34 L HA 0.202 4.542 4.340 -0.000 0.000 0.278 34 L C 0.258 177.122 176.870 -0.010 0.000 1.088 34 L CA -0.872 53.973 54.840 0.009 0.000 0.899 34 L CB 0.968 43.037 42.059 0.017 0.000 1.277 34 L HN -0.308 nan 8.230 nan 0.000 0.431 35 V N 2.477 122.374 119.914 -0.028 0.000 2.585 35 V HA 0.121 4.241 4.120 -0.000 0.000 0.296 35 V C 0.800 176.879 176.094 -0.025 0.000 1.035 35 V CA 0.297 62.571 62.300 -0.044 0.000 1.084 35 V CB 0.976 32.743 31.823 -0.093 0.000 0.953 35 V HN 0.947 nan 8.190 nan 0.000 0.483 36 S N 2.610 118.301 115.700 -0.015 0.000 3.255 36 S HA 0.384 4.854 4.470 -0.000 0.000 0.305 36 S C 0.560 175.159 174.600 -0.001 0.000 1.067 36 S CA -0.452 57.744 58.200 -0.007 0.000 0.966 36 S CB 1.000 64.199 63.200 -0.002 0.000 1.366 36 S HN 0.519 nan 8.310 nan 0.000 0.717 37 D N 1.650 122.052 120.400 0.004 0.000 2.264 37 D HA 0.239 4.879 4.640 -0.000 0.000 0.208 37 D C 0.995 177.303 176.300 0.013 0.000 0.966 37 D CA 1.166 55.172 54.000 0.009 0.000 0.864 37 D CB -0.821 39.984 40.800 0.008 0.000 0.933 37 D HN 0.699 nan 8.370 nan 0.000 0.499 38 A N 1.089 123.916 122.820 0.011 0.000 2.304 38 A HA 0.308 4.628 4.320 -0.000 0.000 0.271 38 A C 0.390 177.989 177.584 0.025 0.000 1.091 38 A CA -0.618 51.428 52.037 0.015 0.000 0.812 38 A CB 0.240 19.246 19.000 0.010 0.000 1.056 38 A HN 0.157 nan 8.150 nan 0.000 0.489 39 E N 0.411 120.630 120.200 0.032 0.000 2.373 39 E HA 0.412 4.762 4.350 -0.000 0.000 0.267 39 E C -0.011 176.624 176.600 0.058 0.000 1.032 39 E CA 0.035 56.468 56.400 0.054 0.000 0.889 39 E CB 0.347 30.071 29.700 0.040 0.000 0.984 39 E HN 0.605 nan 8.360 nan 0.000 0.425 40 T N 0.071 114.692 114.554 0.110 0.000 2.910 40 T HA 0.731 5.081 4.350 -0.000 0.000 0.287 40 T C -0.232 174.588 174.700 0.200 0.000 1.050 40 T CA -0.562 61.606 62.100 0.114 0.000 1.011 40 T CB 1.595 70.502 68.868 0.065 0.000 1.195 40 T HN 0.779 nan 8.240 nan 0.000 0.540 41 S N -0.168 115.620 115.700 0.147 0.000 2.611 41 S HA 0.704 5.174 4.470 -0.000 0.000 0.268 41 S C -2.113 172.498 174.600 0.019 0.000 1.156 41 S CA -0.999 57.243 58.200 0.070 0.000 0.817 41 S CB 1.092 64.253 63.200 -0.064 0.000 1.122 41 S HN 0.666 nan 8.310 nan 0.000 0.466 42 L N 0.976 122.149 121.223 -0.085 0.000 2.408 42 L HA 0.810 5.150 4.340 -0.000 0.000 0.268 42 L C -0.640 176.140 176.870 -0.149 0.000 0.986 42 L CA 0.026 54.801 54.840 -0.107 0.000 0.820 42 L CB 2.148 44.141 42.059 -0.110 0.000 1.303 42 L HN 1.037 nan 8.230 nan 0.000 0.411 43 T N 0.961 115.437 114.554 -0.131 0.000 2.949 43 T HA 0.238 4.588 4.350 -0.000 0.000 0.300 43 T C -1.046 173.618 174.700 -0.060 0.000 0.988 43 T CA -0.324 61.711 62.100 -0.109 0.000 0.993 43 T CB 1.186 69.979 68.868 -0.126 0.000 0.984 43 T HN 0.569 nan 8.240 nan 0.000 0.442 44 c N 6.316 124.890 118.600 -0.043 0.000 2.206 44 c HA 0.594 5.164 4.570 -0.000 0.000 0.324 44 c C 0.114 174.228 174.090 0.040 0.000 1.120 44 c CA -0.900 55.429 56.329 0.001 0.000 1.546 44 c CB -2.276 40.213 42.510 -0.035 0.000 2.023 44 c HN 0.807 nan 8.230 nan 0.000 0.448 45 I N 4.783 125.416 120.570 0.104 0.000 2.396 45 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 45 I C 0.590 176.835 176.117 0.212 0.000 0.999 45 I CA -0.020 61.372 61.300 0.152 0.000 1.310 45 I CB 1.128 39.259 38.000 0.218 0.000 1.404 45 I HN 0.627 nan 8.210 nan 0.000 0.496 46 A N 4.603 127.553 122.820 0.215 0.000 2.293 46 A HA 0.588 4.908 4.320 -0.000 0.000 0.312 46 A C -0.100 177.733 177.584 0.415 0.000 1.309 46 A CA -0.497 51.748 52.037 0.347 0.000 0.839 46 A CB 0.589 19.539 19.000 -0.083 0.000 1.155 46 A HN 0.733 nan 8.150 nan 0.000 0.501 47 S N 1.967 117.923 115.700 0.427 0.000 2.437 47 S HA 0.753 5.223 4.470 -0.000 0.000 0.305 47 S C 0.841 175.659 174.600 0.363 0.000 1.109 47 S CA 0.329 58.716 58.200 0.311 0.000 1.099 47 S CB 1.197 64.477 63.200 0.133 0.000 1.004 47 S HN 2.411 nan 8.310 nan 0.000 0.475 48 G N 2.573 111.604 108.800 0.386 0.000 3.047 48 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.203 48 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.203 48 G C -0.142 175.071 174.900 0.522 0.000 1.444 48 G CA -0.138 45.166 45.100 0.340 0.000 1.020 48 G HN 1.259 nan 8.290 nan 0.000 0.563 49 W N 2.517 123.905 121.300 0.147 0.000 2.315 49 W HA 0.791 5.451 4.660 -0.000 0.000 0.316 49 W C 0.212 176.547 176.519 -0.307 0.000 1.211 49 W CA -2.188 55.131 57.345 -0.043 0.000 1.201 49 W CB 0.305 29.682 29.460 -0.138 0.000 1.184 49 W HN 0.484 nan 8.180 nan 0.000 0.544 50 R N 6.525 126.618 120.500 -0.679 0.000 3.235 50 R HA 0.187 4.527 4.340 -0.000 0.000 0.232 50 R C -1.921 173.724 176.300 -1.092 0.000 1.475 50 R CA -1.423 53.683 56.100 -1.656 0.000 1.405 50 R CB -0.302 29.302 30.300 -1.160 0.000 1.266 50 R HN 0.195 nan 8.270 nan 0.000 0.650 51 P HA -0.094 nan 4.420 nan 0.000 0.263 51 P C -0.421 176.464 177.300 -0.692 0.000 1.175 51 P CA 0.502 62.974 63.100 -1.047 0.000 0.761 51 P CB 0.850 31.682 31.700 -1.447 0.000 0.794 52 H N 0.457 119.324 119.070 -0.339 0.000 2.300 52 H HA 0.059 4.615 4.556 -0.000 0.000 0.312 52 H C 0.652 175.854 175.328 -0.210 0.000 1.057 52 H CA 0.108 56.011 56.048 -0.241 0.000 1.380 52 H CB 0.081 29.750 29.762 -0.154 0.000 1.424 52 H HN 0.443 nan 8.280 nan 0.000 0.534 53 E N 3.563 123.744 120.200 -0.032 0.000 2.498 53 E HA -0.011 4.339 4.350 -0.000 0.000 0.252 53 E C -2.193 174.327 176.600 -0.133 0.000 1.025 53 E CA -1.176 55.192 56.400 -0.053 0.000 0.938 53 E CB 0.262 29.957 29.700 -0.009 0.000 0.947 53 E HN 0.350 nan 8.360 nan 0.000 0.478 54 P HA -0.049 nan 4.420 nan 0.000 0.264 54 P C 0.144 177.367 177.300 -0.129 0.000 1.183 54 P CA 0.005 63.025 63.100 -0.134 0.000 0.763 54 P CB 0.534 32.182 31.700 -0.088 0.000 0.807 55 I N 3.442 123.912 120.570 -0.166 0.000 2.598 55 I HA 0.035 4.205 4.170 -0.000 0.000 0.284 55 I C 1.168 177.224 176.117 -0.101 0.000 1.140 55 I CA 0.840 62.058 61.300 -0.138 0.000 1.420 55 I CB -0.449 37.458 38.000 -0.157 0.000 1.387 55 I HN 0.305 nan 8.210 nan 0.000 0.553 56 T N 7.396 121.901 114.554 -0.081 0.000 2.943 56 T HA 0.793 5.143 4.350 -0.000 0.000 0.284 56 T C 0.174 174.724 174.700 -0.250 0.000 1.015 56 T CA -0.506 61.526 62.100 -0.112 0.000 1.042 56 T CB 2.195 71.049 68.868 -0.023 0.000 1.055 56 T HN 0.330 nan 8.240 nan 0.000 0.500 57 I N -0.041 120.330 120.570 -0.331 0.000 3.004 57 I HA 0.697 4.867 4.170 -0.000 0.000 0.305 57 I C 0.124 175.974 176.117 -0.445 0.000 1.312 57 I CA -0.695 60.332 61.300 -0.456 0.000 0.992 57 I CB 2.623 40.462 38.000 -0.269 0.000 1.282 57 I HN 0.946 nan 8.210 nan 0.000 0.449 58 G N 2.571 111.111 108.800 -0.434 0.000 2.368 58 G HA2 0.123 4.083 3.960 -0.000 0.000 0.302 58 G HA3 0.123 4.083 3.960 -0.000 0.000 0.302 58 G C -1.617 173.329 174.900 0.076 0.000 1.329 58 G CA -1.154 43.890 45.100 -0.092 0.000 0.935 58 G HN 0.515 nan 8.290 nan 0.000 0.590 59 R N 0.202 120.639 120.500 -0.106 0.000 2.449 59 R HA 0.205 4.545 4.340 -0.000 0.000 0.296 59 R C -0.465 175.620 176.300 -0.359 0.000 1.047 59 R CA -0.202 55.565 56.100 -0.555 0.000 1.018 59 R CB 0.763 30.405 30.300 -1.097 0.000 0.962 59 R HN 0.462 nan 8.270 nan 0.000 0.428 60 D N 3.902 124.197 120.400 -0.175 0.000 2.934 60 D HA 0.002 4.642 4.640 -0.000 0.000 0.237 60 D C 0.612 176.793 176.300 -0.199 0.000 1.158 60 D CA -0.269 53.600 54.000 -0.219 0.000 0.971 60 D CB -0.465 40.258 40.800 -0.130 0.000 1.123 60 D HN 0.475 nan 8.370 nan 0.000 0.467 61 F N 0.388 120.283 119.950 -0.093 0.000 2.105 61 F HA -0.353 4.173 4.527 -0.000 0.000 0.294 61 F C 2.287 178.043 175.800 -0.073 0.000 1.054 61 F CA 1.413 59.368 58.000 -0.075 0.000 1.276 61 F CB -0.109 38.868 39.000 -0.038 0.000 1.021 61 F HN 0.311 nan 8.300 nan 0.000 0.493 62 E N 0.246 120.502 120.200 0.094 0.000 2.031 62 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 62 E C 2.432 179.039 176.600 0.013 0.000 0.994 62 E CA 1.048 57.469 56.400 0.034 0.000 0.800 62 E CB -0.523 29.168 29.700 -0.016 0.000 0.752 62 E HN 0.453 nan 8.360 nan 0.000 0.447 63 A N 1.824 124.629 122.820 -0.025 0.000 1.844 63 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 63 A C 1.409 178.980 177.584 -0.020 0.000 1.217 63 A CA 0.873 52.893 52.037 -0.028 0.000 0.644 63 A CB -0.830 18.138 19.000 -0.053 0.000 0.850 63 A HN 0.213 nan 8.150 nan 0.000 0.456 64 L N 1.587 122.770 121.223 -0.068 0.000 2.385 64 L HA 0.320 4.660 4.340 -0.000 0.000 0.285 64 L C 0.438 177.326 176.870 0.031 0.000 1.125 64 L CA -0.105 54.704 54.840 -0.052 0.000 0.890 64 L CB 0.000 41.925 42.059 -0.225 0.000 1.251 64 L HN 0.616 nan 8.230 nan 0.000 0.445 65 M N 2.631 122.280 119.600 0.082 0.000 2.198 65 M HA 0.289 4.769 4.480 -0.000 0.000 0.315 65 M C 0.488 176.881 176.300 0.156 0.000 1.134 65 M CA 0.125 55.495 55.300 0.116 0.000 1.171 65 M CB 0.437 33.092 32.600 0.092 0.000 1.413 65 M HN 0.626 nan 8.290 nan 0.000 0.467 66 N N -0.539 118.255 118.700 0.156 0.000 2.850 66 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 66 N C -1.000 174.692 175.510 0.305 0.000 1.060 66 N CA 0.844 53.996 53.050 0.170 0.000 0.825 66 N CB -1.153 37.408 38.487 0.122 0.000 1.132 66 N HN 0.831 nan 8.380 nan 0.000 0.564 67 Q N 0.290 120.282 119.800 0.319 0.000 2.352 67 Q HA 0.110 4.450 4.340 -0.000 0.000 0.260 67 Q C 0.294 176.555 176.000 0.435 0.000 0.976 67 Q CA 0.072 56.077 55.803 0.336 0.000 0.881 67 Q CB 0.789 29.600 28.738 0.122 0.000 1.235 67 Q HN 0.307 nan 8.270 nan 0.000 0.419 68 H N 2.250 121.505 119.070 0.308 0.000 2.848 68 H HA -0.003 4.553 4.556 -0.000 0.000 0.317 68 H C -0.129 175.349 175.328 0.250 0.000 1.046 68 H CA -0.492 55.719 56.048 0.272 0.000 1.470 68 H CB 0.667 30.608 29.762 0.299 0.000 1.483 68 H HN 0.484 nan 8.280 nan 0.000 0.548 69 Q N 3.884 123.871 119.800 0.311 0.000 2.534 69 Q HA 0.081 4.421 4.340 -0.000 0.000 0.223 69 Q C -1.011 175.030 176.000 0.068 0.000 1.239 69 Q CA -0.382 55.580 55.803 0.265 0.000 0.936 69 Q CB 0.152 28.979 28.738 0.148 0.000 1.457 69 Q HN 0.482 nan 8.270 nan 0.000 0.547 70 D N 2.965 123.408 120.400 0.070 0.000 2.256 70 D HA 0.371 5.011 4.640 -0.000 0.000 0.246 70 D C -2.496 173.855 176.300 0.085 0.000 1.042 70 D CA -2.318 51.694 54.000 0.020 0.000 0.841 70 D CB 1.487 42.285 40.800 -0.003 0.000 1.223 70 D HN 0.194 nan 8.370 nan 0.000 0.470 71 P HA 0.246 nan 4.420 nan 0.000 0.276 71 P C -1.013 176.306 177.300 0.033 0.000 1.264 71 P CA -0.283 62.848 63.100 0.050 0.000 0.769 71 P CB 0.357 32.074 31.700 0.027 0.000 0.840 72 L N 0.515 121.752 121.223 0.025 0.000 2.265 72 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 72 L C -0.045 176.743 176.870 -0.136 0.000 1.033 72 L CA -0.891 53.914 54.840 -0.058 0.000 0.814 72 L CB 0.985 43.026 42.059 -0.032 0.000 1.203 72 L HN 0.212 nan 8.230 nan 0.000 0.423 73 E N 3.214 123.312 120.200 -0.170 0.000 2.415 73 E HA 0.163 4.513 4.350 -0.000 0.000 0.260 73 E C -0.646 175.827 176.600 -0.211 0.000 1.016 73 E CA -0.319 55.986 56.400 -0.160 0.000 0.924 73 E CB 1.388 31.002 29.700 -0.144 0.000 0.961 73 E HN 0.480 nan 8.360 nan 0.000 0.459 74 V N 4.781 124.596 119.914 -0.164 0.000 2.259 74 V HA 0.078 4.198 4.120 -0.000 0.000 0.267 74 V C 0.491 176.503 176.094 -0.137 0.000 1.051 74 V CA -0.482 61.713 62.300 -0.175 0.000 0.830 74 V CB 0.423 32.154 31.823 -0.153 0.000 1.080 74 V HN 0.780 nan 8.190 nan 0.000 0.467 75 T N 1.493 115.961 114.554 -0.143 0.000 2.816 75 T HA 0.403 4.753 4.350 -0.000 0.000 0.282 75 T C -0.085 174.558 174.700 -0.096 0.000 0.993 75 T CA -0.473 61.562 62.100 -0.109 0.000 0.994 75 T CB 1.487 70.291 68.868 -0.107 0.000 1.025 75 T HN 0.535 nan 8.240 nan 0.000 0.529 76 Q N 0.175 119.932 119.800 -0.071 0.000 2.260 76 Q HA 0.257 4.597 4.340 -0.000 0.000 0.242 76 Q C -1.170 174.799 176.000 -0.052 0.000 0.932 76 Q CA -0.644 55.126 55.803 -0.054 0.000 0.891 76 Q CB 1.130 29.847 28.738 -0.034 0.000 1.222 76 Q HN 0.751 nan 8.270 nan 0.000 0.453 77 D N 1.315 121.691 120.400 -0.041 0.000 2.192 77 D HA 0.259 4.899 4.640 -0.000 0.000 0.246 77 D C -0.243 176.041 176.300 -0.027 0.000 1.042 77 D CA -0.576 53.401 54.000 -0.039 0.000 0.847 77 D CB 1.836 42.611 40.800 -0.042 0.000 1.186 77 D HN 0.318 nan 8.370 nan 0.000 0.461 78 V N 1.232 121.127 119.914 -0.031 0.000 3.006 78 V HA 0.238 4.358 4.120 -0.000 0.000 0.357 78 V C 1.120 177.193 176.094 -0.035 0.000 1.377 78 V CA 0.373 62.654 62.300 -0.032 0.000 1.198 78 V CB -0.355 31.450 31.823 -0.030 0.000 1.216 78 V HN 0.645 nan 8.190 nan 0.000 0.520 79 T N -2.155 112.382 114.554 -0.028 0.000 3.014 79 T HA 0.367 4.716 4.350 -0.000 0.000 0.250 79 T C 0.779 175.461 174.700 -0.030 0.000 1.060 79 T CA -0.011 62.077 62.100 -0.021 0.000 1.040 79 T CB 0.255 69.123 68.868 -0.000 0.000 0.971 79 T HN 0.573 nan 8.240 nan 0.000 0.497 80 R N 0.523 121.000 120.500 -0.037 0.000 2.807 80 R HA 0.495 4.835 4.340 -0.000 0.000 0.276 80 R C 0.785 177.019 176.300 -0.110 0.000 0.979 80 R CA -0.730 55.334 56.100 -0.059 0.000 0.928 80 R CB 1.878 32.176 30.300 -0.004 0.000 1.191 80 R HN 0.119 nan 8.270 nan 0.000 0.471 81 E N 1.818 121.887 120.200 -0.217 0.000 2.048 81 E HA -0.158 4.192 4.350 -0.000 0.000 0.202 81 E C -0.461 175.911 176.600 -0.381 0.000 1.021 81 E CA 1.412 57.548 56.400 -0.440 0.000 0.825 81 E CB 0.304 29.543 29.700 -0.768 0.000 0.756 81 E HN 0.405 nan 8.360 nan 0.000 0.454 82 W N -0.028 121.242 121.300 -0.049 0.000 2.517 82 W HA 0.664 5.323 4.660 -0.000 0.000 0.301 82 W C -0.951 175.521 176.519 -0.078 0.000 1.002 82 W CA -0.662 56.633 57.345 -0.083 0.000 1.415 82 W CB 0.671 30.052 29.460 -0.131 0.000 1.275 82 W HN 0.106 nan 8.180 nan 0.000 0.413 83 A N 2.509 125.401 122.820 0.120 0.000 2.577 83 A HA 0.700 5.019 4.320 -0.000 0.000 0.297 83 A C -1.110 176.470 177.584 -0.006 0.000 1.060 83 A CA -0.903 51.162 52.037 0.046 0.000 0.697 83 A CB 1.839 20.870 19.000 0.052 0.000 1.281 83 A HN 0.297 nan 8.150 nan 0.000 0.402 84 K N 1.241 121.616 120.400 -0.041 0.000 2.123 84 K HA 0.606 4.926 4.320 -0.000 0.000 0.259 84 K C -0.403 176.138 176.600 -0.100 0.000 0.960 84 K CA -0.676 55.566 56.287 -0.076 0.000 0.872 84 K CB 2.060 34.503 32.500 -0.096 0.000 1.079 84 K HN 0.783 nan 8.250 nan 0.000 0.440 85 K N -0.783 119.541 120.400 -0.128 0.000 2.433 85 K HA 0.636 4.956 4.320 -0.000 0.000 0.252 85 K C -1.151 175.304 176.600 -0.241 0.000 1.015 85 K CA -0.985 55.203 56.287 -0.165 0.000 0.860 85 K CB 1.795 34.209 32.500 -0.143 0.000 1.359 85 K HN 0.210 nan 8.250 nan 0.000 0.452 86 V N 1.586 121.307 119.914 -0.320 0.000 2.498 86 V HA 0.213 4.333 4.120 -0.000 0.000 0.283 86 V C -0.889 174.818 176.094 -0.644 0.000 1.015 86 V CA -0.845 61.129 62.300 -0.543 0.000 0.867 86 V CB 1.432 32.830 31.823 -0.709 0.000 1.025 86 V HN 0.649 nan 8.190 nan 0.000 0.441 87 V N 0.569 120.171 119.914 -0.521 0.000 2.398 87 V HA 0.605 4.725 4.120 -0.000 0.000 0.286 87 V C -0.566 175.310 176.094 -0.363 0.000 1.026 87 V CA -0.658 61.439 62.300 -0.338 0.000 0.868 87 V CB 1.703 33.423 31.823 -0.172 0.000 0.982 87 V HN 0.796 nan 8.190 nan 0.000 0.443 88 W N 3.654 124.897 121.300 -0.094 0.000 2.316 88 W HA 0.428 5.088 4.660 -0.000 0.000 0.339 88 W C 0.438 176.927 176.519 -0.050 0.000 1.002 88 W CA -0.924 56.377 57.345 -0.072 0.000 1.465 88 W CB 1.013 30.425 29.460 -0.080 0.000 1.300 88 W HN 0.677 nan 8.180 nan 0.000 0.378 89 K N 3.217 123.678 120.400 0.102 0.000 2.511 89 K HA -0.063 4.256 4.320 -0.000 0.000 0.280 89 K C 0.875 177.520 176.600 0.076 0.000 1.008 89 K CA 0.206 56.529 56.287 0.061 0.000 1.050 89 K CB 0.594 33.109 32.500 0.024 0.000 0.889 89 K HN 0.360 nan 8.250 nan 0.000 0.484 90 R N 3.117 123.648 120.500 0.053 0.000 2.505 90 R HA -0.219 4.121 4.340 -0.000 0.000 0.274 90 R C 0.164 176.489 176.300 0.042 0.000 0.955 90 R CA 0.391 56.517 56.100 0.043 0.000 1.109 90 R CB -0.183 30.134 30.300 0.027 0.000 0.890 90 R HN 0.822 nan 8.270 nan 0.000 0.415 91 E N -0.489 119.734 120.200 0.039 0.000 4.250 91 E HA -0.327 4.023 4.350 -0.000 0.000 0.325 91 E C 0.973 177.601 176.600 0.046 0.000 0.640 91 E CA 1.976 58.397 56.400 0.035 0.000 1.343 91 E CB -0.591 29.127 29.700 0.029 0.000 1.759 91 E HN 0.559 nan 8.360 nan 0.000 0.401 92 K N 1.154 121.591 120.400 0.062 0.000 2.314 92 K HA 0.205 4.525 4.320 -0.000 0.000 0.198 92 K C 0.529 177.191 176.600 0.103 0.000 1.045 92 K CA 0.966 57.302 56.287 0.081 0.000 0.988 92 K CB 0.262 32.814 32.500 0.087 0.000 0.783 92 K HN 0.226 nan 8.250 nan 0.000 0.484 93 A N 0.874 123.752 122.820 0.097 0.000 2.898 93 A HA 0.086 4.406 4.320 -0.000 0.000 0.288 93 A C 0.482 178.063 177.584 -0.005 0.000 1.771 93 A CA 0.485 52.551 52.037 0.049 0.000 1.383 93 A CB -0.495 18.518 19.000 0.022 0.000 1.028 93 A HN 0.310 nan 8.150 nan 0.000 0.595 94 S N 0.771 116.479 115.700 0.013 0.000 2.807 94 S HA 0.144 4.614 4.470 -0.000 0.000 0.247 94 S C 1.011 175.618 174.600 0.013 0.000 1.078 94 S CA 0.163 58.379 58.200 0.026 0.000 0.867 94 S CB 0.195 63.434 63.200 0.066 0.000 0.797 94 S HN 0.531 nan 8.310 nan 0.000 0.515 95 K N 3.133 123.540 120.400 0.011 0.000 2.778 95 K HA 0.296 4.616 4.320 -0.000 0.000 0.238 95 K C 0.243 176.760 176.600 -0.137 0.000 1.233 95 K CA -0.040 56.238 56.287 -0.016 0.000 1.195 95 K CB 0.171 32.717 32.500 0.078 0.000 1.743 95 K HN 0.415 nan 8.250 nan 0.000 0.418 96 I N -2.427 117.962 120.570 -0.302 0.000 4.227 96 I HA 0.164 4.334 4.170 -0.000 0.000 0.334 96 I C -0.094 175.834 176.117 -0.315 0.000 1.341 96 I CA -0.127 60.822 61.300 -0.584 0.000 1.123 96 I CB -0.093 37.236 38.000 -1.118 0.000 1.097 96 I HN -0.054 nan 8.210 nan 0.000 0.399 97 N N 2.844 121.402 118.700 -0.237 0.000 2.525 97 N HA 0.477 5.217 4.740 -0.000 0.000 0.271 97 N C 0.640 175.977 175.510 -0.287 0.000 1.194 97 N CA 1.137 54.120 53.050 -0.112 0.000 0.964 97 N CB 1.727 40.249 38.487 0.057 0.000 1.126 97 N HN 0.543 nan 8.380 nan 0.000 0.452 98 G N -0.083 108.487 108.800 -0.384 0.000 2.233 98 G HA2 0.282 4.242 3.960 -0.000 0.000 0.162 98 G HA3 0.282 4.242 3.960 -0.000 0.000 0.162 98 G C -1.943 172.501 174.900 -0.759 0.000 1.327 98 G CA -0.112 44.525 45.100 -0.771 0.000 1.187 98 G HN 0.761 nan 8.290 nan 0.000 0.479 99 A N -0.637 121.781 122.820 -0.668 0.000 2.353 99 A HA 0.867 5.187 4.320 -0.000 0.000 0.299 99 A C -1.191 176.101 177.584 -0.488 0.000 1.089 99 A CA -0.398 51.382 52.037 -0.428 0.000 0.736 99 A CB 0.900 19.720 19.000 -0.300 0.000 1.195 99 A HN 1.082 nan 8.150 nan 0.000 0.447 100 Y N 0.724 121.000 120.300 -0.041 0.000 2.650 100 Y HA 0.815 5.365 4.550 -0.000 0.000 0.331 100 Y C 0.071 176.089 175.900 0.196 0.000 1.082 100 Y CA -0.727 57.409 58.100 0.059 0.000 1.171 100 Y CB 1.577 40.045 38.460 0.012 0.000 1.326 100 Y HN 0.853 nan 8.280 nan 0.000 0.513 101 F N -1.628 118.399 119.950 0.128 0.000 3.169 101 F HA 0.709 5.235 4.527 -0.000 0.000 0.325 101 F C -1.653 174.190 175.800 0.072 0.000 1.175 101 F CA -1.908 56.137 58.000 0.075 0.000 0.887 101 F CB 1.370 40.391 39.000 0.034 0.000 1.457 101 F HN 0.708 nan 8.300 nan 0.000 0.496 102 c N -0.309 118.221 118.600 -0.116 0.000 3.094 102 c HA 0.625 5.195 4.570 -0.000 0.000 0.414 102 c C -1.086 173.070 174.090 0.111 0.000 0.993 102 c CA -0.625 55.553 56.329 -0.251 0.000 1.217 102 c CB 0.773 43.172 42.510 -0.185 0.000 1.603 102 c HN 1.079 nan 8.230 nan 0.000 0.564 103 E N 1.364 121.648 120.200 0.140 0.000 2.359 103 E HA 0.655 5.005 4.350 -0.000 0.000 0.255 103 E C 0.773 177.457 176.600 0.140 0.000 1.191 103 E CA -0.069 56.450 56.400 0.199 0.000 0.952 103 E CB 1.332 31.167 29.700 0.224 0.000 1.152 103 E HN 0.962 nan 8.360 nan 0.000 0.496 104 G N -0.498 108.417 108.800 0.193 0.000 2.570 104 G HA2 0.066 4.026 3.960 -0.000 0.000 0.213 104 G HA3 0.066 4.026 3.960 -0.000 0.000 0.213 104 G C -0.441 174.605 174.900 0.243 0.000 1.391 104 G CA -0.381 44.870 45.100 0.252 0.000 0.533 104 G HN 0.383 nan 8.290 nan 0.000 1.072 105 R N -0.138 120.535 120.500 0.289 0.000 1.756 105 R HA -0.116 4.224 4.340 -0.000 0.000 0.379 105 R C -0.413 176.056 176.300 0.280 0.000 1.251 105 R CA 0.236 56.464 56.100 0.212 0.000 1.119 105 R CB -1.317 29.050 30.300 0.113 0.000 3.262 105 R HN 0.294 nan 8.270 nan 0.000 0.487 106 V N 2.502 122.555 119.914 0.231 0.000 3.488 106 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 106 V C 1.257 177.409 176.094 0.098 0.000 1.163 106 V CA -0.893 61.523 62.300 0.194 0.000 0.971 106 V CB 1.122 32.981 31.823 0.060 0.000 1.245 106 V HN 0.648 nan 8.190 nan 0.000 0.456 107 R N 0.776 121.311 120.500 0.059 0.000 3.924 107 R HA -0.069 4.271 4.340 -0.000 0.000 0.279 107 R C 1.407 177.727 176.300 0.033 0.000 0.562 107 R CA 1.046 57.167 56.100 0.036 0.000 1.007 107 R CB -1.159 29.145 30.300 0.007 0.000 0.920 107 R HN 1.156 nan 8.270 nan 0.000 0.332 108 G N 2.649 111.472 108.800 0.039 0.000 2.587 108 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.246 108 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.246 108 G C 0.238 175.162 174.900 0.041 0.000 1.058 108 G CA 1.085 46.206 45.100 0.035 0.000 0.658 108 G HN 0.775 nan 8.290 nan 0.000 0.538 109 E N 0.689 120.914 120.200 0.042 0.000 2.620 109 E HA 0.706 5.056 4.350 -0.000 0.000 0.255 109 E C 0.604 177.243 176.600 0.064 0.000 1.346 109 E CA -0.321 56.106 56.400 0.044 0.000 1.013 109 E CB 0.885 30.604 29.700 0.031 0.000 1.131 109 E HN 0.995 nan 8.360 nan 0.000 0.608 110 A N 0.205 123.064 122.820 0.064 0.000 2.858 110 A HA 0.815 5.135 4.320 -0.000 0.000 0.232 110 A C -0.540 177.096 177.584 0.086 0.000 1.258 110 A CA -0.870 51.218 52.037 0.086 0.000 0.909 110 A CB 1.240 20.287 19.000 0.078 0.000 1.491 110 A HN 0.738 nan 8.150 nan 0.000 0.472 111 I N -0.759 119.876 120.570 0.108 0.000 2.725 111 I HA 0.233 4.403 4.170 -0.000 0.000 0.289 111 I C -1.715 174.491 176.117 0.149 0.000 1.654 111 I CA -0.175 61.186 61.300 0.102 0.000 1.151 111 I CB 0.445 38.498 38.000 0.087 0.000 1.603 111 I HN 0.867 nan 8.210 nan 0.000 0.441 112 R N 7.293 127.879 120.500 0.144 0.000 2.771 112 R HA 0.787 5.127 4.340 -0.000 0.000 0.274 112 R C -1.332 175.075 176.300 0.178 0.000 0.987 112 R CA -1.017 55.203 56.100 0.199 0.000 0.908 112 R CB 2.717 33.145 30.300 0.214 0.000 1.213 112 R HN 0.409 nan 8.270 nan 0.000 0.468 113 I N 2.051 122.745 120.570 0.208 0.000 2.478 113 I HA 0.403 4.573 4.170 -0.000 0.000 0.287 113 I C -0.363 175.876 176.117 0.203 0.000 1.042 113 I CA -0.741 60.664 61.300 0.176 0.000 1.067 113 I CB 1.981 40.070 38.000 0.148 0.000 1.233 113 I HN 0.379 nan 8.210 nan 0.000 0.431 114 R N 4.013 124.620 120.500 0.177 0.000 2.598 114 R HA 0.829 5.169 4.340 -0.000 0.000 0.279 114 R C -0.634 175.748 176.300 0.136 0.000 0.984 114 R CA -0.547 55.657 56.100 0.174 0.000 0.999 114 R CB 2.172 32.547 30.300 0.126 0.000 1.114 114 R HN 0.545 nan 8.270 nan 0.000 0.493 115 T N 0.270 114.904 114.554 0.132 0.000 2.612 115 T HA 0.539 4.889 4.350 -0.000 0.000 0.296 115 T C -1.076 173.677 174.700 0.089 0.000 1.148 115 T CA -0.880 61.285 62.100 0.107 0.000 1.077 115 T CB 1.123 70.051 68.868 0.100 0.000 1.591 115 T HN 0.324 nan 8.240 nan 0.000 0.479 116 M N 0.440 120.091 119.600 0.085 0.000 2.569 116 M HA 0.680 5.160 4.480 -0.000 0.000 0.279 116 M C -1.851 174.497 176.300 0.081 0.000 1.253 116 M CA -0.485 54.844 55.300 0.048 0.000 0.867 116 M CB 2.605 35.241 32.600 0.060 0.000 1.727 116 M HN 0.381 nan 8.290 nan 0.000 0.467 117 K N 2.504 122.948 120.400 0.074 0.000 2.471 117 K HA 0.842 5.162 4.320 -0.000 0.000 0.252 117 K C -1.722 174.958 176.600 0.134 0.000 0.938 117 K CA -0.314 55.987 56.287 0.022 0.000 0.796 117 K CB 1.475 33.891 32.500 -0.140 0.000 1.161 117 K HN 0.731 nan 8.250 nan 0.000 0.425 118 M N 0.870 120.544 119.600 0.124 0.000 2.531 118 M HA 0.579 5.059 4.480 -0.000 0.000 0.286 118 M C -0.823 175.499 176.300 0.038 0.000 1.232 118 M CA -1.013 54.377 55.300 0.150 0.000 0.877 118 M CB 2.014 34.729 32.600 0.191 0.000 1.726 118 M HN 0.221 nan 8.290 nan 0.000 0.463 119 R N 1.525 122.034 120.500 0.015 0.000 2.583 119 R HA -0.041 4.299 4.340 -0.000 0.000 0.274 119 R C 0.624 176.919 176.300 -0.009 0.000 0.998 119 R CA 0.120 56.216 56.100 -0.007 0.000 1.081 119 R CB 0.388 30.682 30.300 -0.010 0.000 0.940 119 R HN 0.852 nan 8.270 nan 0.000 0.413 120 Q N 1.602 121.396 119.800 -0.009 0.000 2.172 120 Q HA -0.157 4.182 4.340 -0.000 0.000 0.200 120 Q C 1.166 177.158 176.000 -0.012 0.000 0.964 120 Q CA 1.056 56.856 55.803 -0.005 0.000 0.855 120 Q CB 0.393 29.128 28.738 -0.003 0.000 0.918 120 Q HN 0.516 nan 8.270 nan 0.000 0.444 121 Q N 0.173 119.963 119.800 -0.017 0.000 1.742 121 Q HA -0.011 4.329 4.340 -0.000 0.000 0.336 121 Q C 1.338 177.312 176.000 -0.043 0.000 0.966 121 Q CA 1.164 56.951 55.803 -0.026 0.000 0.893 121 Q CB -0.758 27.968 28.738 -0.020 0.000 0.927 121 Q HN 0.405 nan 8.270 nan 0.000 0.417 122 A N -0.409 122.382 122.820 -0.048 0.000 5.369 122 A HA -0.327 3.993 4.320 -0.000 0.000 0.298 122 A C 1.204 178.719 177.584 -0.115 0.000 2.000 122 A CA 3.457 55.449 52.037 -0.075 0.000 0.716 122 A CB -1.953 16.996 19.000 -0.086 0.000 1.248 122 A HN 0.927 nan 8.150 nan 0.000 0.365 123 S N -3.803 111.790 115.700 -0.180 0.000 2.462 123 S HA 0.566 5.036 4.470 -0.000 0.000 0.269 123 S C 0.167 174.441 174.600 -0.544 0.000 1.005 123 S CA 0.601 58.572 58.200 -0.382 0.000 1.260 123 S CB 0.135 63.002 63.200 -0.555 0.000 0.990 123 S HN 1.336 nan 8.310 nan 0.000 0.477 124 F N 0.965 120.756 119.950 -0.264 0.000 2.661 124 F HA 0.835 5.362 4.527 0.000 0.000 0.347 124 F C -0.692 175.052 175.800 -0.093 0.000 1.086 124 F CA -1.202 56.681 58.000 -0.194 0.000 1.016 124 F CB 1.617 40.436 39.000 -0.301 0.000 1.368 124 F HN 0.040 nan 8.300 nan 0.000 0.505 125 L N 2.143 123.525 121.223 0.266 0.000 2.639 125 L HA 0.269 4.609 4.340 -0.000 0.000 0.264 125 L C -1.806 175.233 176.870 0.281 0.000 0.948 125 L CA -1.459 53.501 54.840 0.200 0.000 0.912 125 L CB 2.755 44.881 42.059 0.111 0.000 1.294 125 L HN 0.275 nan 8.230 nan 0.000 0.412 126 P HA -0.344 nan 4.420 nan 0.000 0.219 126 P C 0.831 178.159 177.300 0.046 0.000 1.151 126 P CA 1.972 65.211 63.100 0.231 0.000 0.850 126 P CB 0.219 32.049 31.700 0.217 0.000 0.784 127 A N -1.838 121.019 122.820 0.062 0.000 2.847 127 A HA -0.147 4.173 4.320 -0.000 0.000 0.263 127 A C 0.490 178.070 177.584 -0.008 0.000 1.391 127 A CA 1.551 53.598 52.037 0.016 0.000 0.866 127 A CB -2.563 16.430 19.000 -0.011 0.000 1.057 127 A HN 0.672 nan 8.150 nan 0.000 0.673 128 T N -3.710 110.851 114.554 0.012 0.000 3.258 128 T HA 0.286 4.636 4.350 -0.000 0.000 0.419 128 T C 0.200 174.918 174.700 0.030 0.000 1.631 128 T CA 0.134 62.238 62.100 0.006 0.000 1.040 128 T CB -0.745 68.102 68.868 -0.034 0.000 1.655 128 T HN 0.923 nan 8.240 nan 0.000 0.465 129 L N 3.241 124.492 121.223 0.047 0.000 2.162 129 L HA 0.299 4.639 4.340 -0.000 0.000 0.205 129 L C 1.751 178.657 176.870 0.060 0.000 1.086 129 L CA 1.844 56.730 54.840 0.076 0.000 0.778 129 L CB -0.176 41.931 42.059 0.081 0.000 0.928 129 L HN 0.930 nan 8.230 nan 0.000 0.446 130 T N -3.080 111.487 114.554 0.021 0.000 2.907 130 T HA 0.645 4.995 4.350 -0.000 0.000 0.290 130 T C -0.557 174.115 174.700 -0.046 0.000 1.066 130 T CA -0.642 61.457 62.100 -0.001 0.000 1.012 130 T CB 2.246 71.111 68.868 -0.005 0.000 1.184 130 T HN -0.031 nan 8.240 nan 0.000 0.522 131 M N 1.943 121.509 119.600 -0.057 0.000 2.221 131 M HA 0.364 4.844 4.480 -0.000 0.000 0.259 131 M C -1.707 174.546 176.300 -0.077 0.000 1.001 131 M CA -0.277 54.972 55.300 -0.086 0.000 1.009 131 M CB 1.813 34.346 32.600 -0.111 0.000 1.939 131 M HN 0.831 nan 8.290 nan 0.000 0.477 132 T N 4.565 119.066 114.554 -0.088 0.000 2.795 132 T HA 0.698 5.048 4.350 -0.000 0.000 0.282 132 T C -0.459 174.205 174.700 -0.059 0.000 0.980 132 T CA -0.552 61.508 62.100 -0.067 0.000 1.012 132 T CB 1.205 70.025 68.868 -0.079 0.000 0.936 132 T HN 0.616 nan 8.240 nan 0.000 0.457 133 V N 0.097 119.986 119.914 -0.042 0.000 3.188 133 V HA 0.768 4.888 4.120 -0.000 0.000 0.305 133 V C -1.560 174.521 176.094 -0.021 0.000 1.232 133 V CA -1.397 60.878 62.300 -0.042 0.000 1.043 133 V CB 2.316 34.103 31.823 -0.059 0.000 1.068 133 V HN 0.693 nan 8.190 nan 0.000 0.439 134 D N 0.777 121.164 120.400 -0.021 0.000 2.217 134 D HA 0.381 5.021 4.640 -0.000 0.000 0.248 134 D C -0.346 175.947 176.300 -0.011 0.000 1.008 134 D CA -0.647 53.349 54.000 -0.007 0.000 0.914 134 D CB 1.319 42.117 40.800 -0.004 0.000 1.182 134 D HN 0.892 nan 8.370 nan 0.000 0.451 135 K N 1.118 121.519 120.400 0.002 0.000 2.258 135 K HA 0.139 4.459 4.320 -0.000 0.000 0.266 135 K C 0.391 176.988 176.600 -0.005 0.000 1.204 135 K CA 0.635 56.926 56.287 0.007 0.000 1.206 135 K CB -0.917 31.593 32.500 0.017 0.000 0.854 135 K HN 0.746 nan 8.250 nan 0.000 0.453 136 G N 3.238 112.030 108.800 -0.014 0.000 2.155 136 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.135 136 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.135 136 G C -1.077 173.723 174.900 -0.166 0.000 1.023 136 G CA -0.353 44.709 45.100 -0.063 0.000 0.688 136 G HN 0.664 nan 8.290 nan 0.000 0.499 137 D N 0.604 120.937 120.400 -0.111 0.000 2.192 137 D HA 0.371 5.011 4.640 -0.000 0.000 0.246 137 D C 0.353 176.585 176.300 -0.112 0.000 1.042 137 D CA -0.344 53.581 54.000 -0.125 0.000 0.847 137 D CB 0.723 41.469 40.800 -0.090 0.000 1.186 137 D HN 0.358 nan 8.370 nan 0.000 0.461 138 N N 0.486 119.119 118.700 -0.111 0.000 2.470 138 N HA 0.333 5.073 4.740 -0.000 0.000 0.268 138 N C -0.284 175.126 175.510 -0.166 0.000 1.136 138 N CA -0.474 52.541 53.050 -0.059 0.000 0.961 138 N CB 1.220 39.738 38.487 0.051 0.000 1.067 138 N HN 0.185 nan 8.380 nan 0.000 0.468 139 V N 0.048 119.808 119.914 -0.257 0.000 3.074 139 V HA 0.529 4.649 4.120 -0.000 0.000 0.314 139 V C -0.585 175.258 176.094 -0.418 0.000 1.117 139 V CA -1.044 61.084 62.300 -0.287 0.000 1.014 139 V CB 2.145 33.839 31.823 -0.215 0.000 1.057 139 V HN 0.645 nan 8.190 nan 0.000 0.438 140 N N 1.665 120.171 118.700 -0.323 0.000 2.623 140 N HA 0.518 5.258 4.740 -0.000 0.000 0.256 140 N C -1.350 173.991 175.510 -0.282 0.000 1.045 140 N CA -0.549 52.322 53.050 -0.300 0.000 0.863 140 N CB 1.352 39.704 38.487 -0.225 0.000 1.182 140 N HN 0.656 nan 8.380 nan 0.000 0.523 141 I N 2.534 122.904 120.570 -0.332 0.000 2.389 141 I HA -0.010 4.159 4.170 -0.000 0.000 0.295 141 I C 0.938 176.751 176.117 -0.508 0.000 1.117 141 I CA 0.215 61.250 61.300 -0.442 0.000 1.317 141 I CB -0.066 37.610 38.000 -0.539 0.000 1.431 141 I HN 0.379 nan 8.210 nan 0.000 0.521 142 S N 5.651 121.042 115.700 -0.515 0.000 2.707 142 S HA 0.777 5.247 4.470 -0.000 0.000 0.276 142 S C -0.548 173.612 174.600 -0.733 0.000 1.179 142 S CA -0.547 57.387 58.200 -0.443 0.000 0.992 142 S CB 1.222 64.296 63.200 -0.209 0.000 1.030 142 S HN 0.294 nan 8.310 nan 0.000 0.554 143 F N -0.294 119.633 119.950 -0.038 0.000 2.651 143 F HA 0.365 4.892 4.527 0.000 0.000 0.329 143 F C -0.171 175.700 175.800 0.118 0.000 1.186 143 F CA -0.950 57.038 58.000 -0.020 0.000 1.046 143 F CB 2.016 40.883 39.000 -0.222 0.000 1.296 143 F HN 0.451 nan 8.300 nan 0.000 0.497 144 K N 3.230 123.838 120.400 0.347 0.000 2.339 144 K HA 0.211 4.531 4.320 -0.000 0.000 0.286 144 K C -0.254 176.545 176.600 0.333 0.000 1.050 144 K CA -0.527 55.917 56.287 0.262 0.000 0.956 144 K CB 1.308 33.893 32.500 0.141 0.000 0.990 144 K HN 0.468 nan 8.250 nan 0.000 0.475 145 K N 2.449 122.991 120.400 0.236 0.000 2.276 145 K HA 0.105 4.425 4.320 -0.000 0.000 0.283 145 K C 0.129 176.631 176.600 -0.162 0.000 1.044 145 K CA -0.222 55.987 56.287 -0.131 0.000 0.944 145 K CB 0.793 33.288 32.500 -0.009 0.000 1.012 145 K HN 0.364 nan 8.250 nan 0.000 0.472 146 V N 3.845 123.572 119.914 -0.311 0.000 3.159 146 V HA 0.056 4.175 4.120 -0.000 0.000 0.234 146 V C 0.064 176.074 176.094 -0.140 0.000 1.313 146 V CA -0.120 62.083 62.300 -0.162 0.000 1.271 146 V CB 0.417 32.171 31.823 -0.116 0.000 1.053 146 V HN 0.575 nan 8.190 nan 0.000 0.476 147 L N 3.196 124.305 121.223 -0.190 0.000 3.100 147 L HA 0.452 4.792 4.340 -0.000 0.000 0.259 147 L C 0.283 177.167 176.870 0.022 0.000 1.316 147 L CA -0.568 54.224 54.840 -0.081 0.000 0.992 147 L CB 0.148 42.163 42.059 -0.074 0.000 1.390 147 L HN 0.293 nan 8.230 nan 0.000 0.550 148 I N -1.034 119.557 120.570 0.035 0.000 3.310 148 I HA -0.198 3.972 4.170 -0.000 0.000 0.345 148 I C -0.000 176.126 176.117 0.016 0.000 1.215 148 I CA 1.111 62.485 61.300 0.123 0.000 1.472 148 I CB -0.512 37.502 38.000 0.024 0.000 1.305 148 I HN 0.384 nan 8.210 nan 0.000 0.500 149 K N 4.535 124.817 120.400 -0.197 0.000 2.350 149 K HA 0.360 4.680 4.320 -0.000 0.000 0.241 149 K C -0.267 176.080 176.600 -0.421 0.000 0.994 149 K CA -0.937 55.168 56.287 -0.303 0.000 0.839 149 K CB 1.525 33.875 32.500 -0.250 0.000 1.244 149 K HN 0.428 nan 8.250 nan 0.000 0.443 150 E N 1.793 121.839 120.200 -0.257 0.000 2.676 150 E HA 0.027 4.377 4.350 -0.000 0.000 0.318 150 E C -0.982 175.490 176.600 -0.215 0.000 1.514 150 E CA 0.474 56.752 56.400 -0.204 0.000 1.667 150 E CB -0.138 29.492 29.700 -0.115 0.000 1.336 150 E HN 0.295 nan 8.360 nan 0.000 0.492 151 E N -0.470 119.516 120.200 -0.356 0.000 2.459 151 E HA 0.298 4.648 4.350 -0.000 0.000 0.275 151 E C -1.075 175.413 176.600 -0.187 0.000 0.987 151 E CA -0.961 55.285 56.400 -0.255 0.000 0.828 151 E CB 1.251 30.804 29.700 -0.245 0.000 1.428 151 E HN 0.069 nan 8.360 nan 0.000 0.457 152 D N 0.155 120.543 120.400 -0.020 0.000 2.294 152 D HA 0.511 5.151 4.640 -0.000 0.000 0.250 152 D C -0.952 175.495 176.300 0.244 0.000 1.058 152 D CA -0.330 53.727 54.000 0.095 0.000 0.950 152 D CB 1.357 42.215 40.800 0.097 0.000 1.158 152 D HN 0.391 nan 8.370 nan 0.000 0.453 153 A N 0.612 123.596 122.820 0.273 0.000 2.303 153 A HA 0.679 4.998 4.320 -0.000 0.000 0.317 153 A C -0.579 177.108 177.584 0.171 0.000 1.149 153 A CA -0.585 51.632 52.037 0.300 0.000 0.822 153 A CB 0.668 19.826 19.000 0.263 0.000 1.131 153 A HN 0.566 nan 8.150 nan 0.000 0.493 154 V N 0.339 120.330 119.914 0.128 0.000 2.733 154 V HA 0.622 4.742 4.120 -0.000 0.000 0.306 154 V C -0.956 175.165 176.094 0.044 0.000 1.084 154 V CA -0.874 61.515 62.300 0.148 0.000 0.905 154 V CB 1.399 33.485 31.823 0.439 0.000 1.010 154 V HN 0.652 nan 8.190 nan 0.000 0.424 155 I N 4.622 125.072 120.570 -0.199 0.000 2.385 155 I HA 0.553 4.722 4.170 -0.000 0.000 0.294 155 I C -0.976 175.040 176.117 -0.168 0.000 0.988 155 I CA -0.472 60.714 61.300 -0.190 0.000 1.265 155 I CB 1.483 39.248 38.000 -0.393 0.000 1.388 155 I HN 0.756 nan 8.210 nan 0.000 0.480 156 Y N 4.531 124.779 120.300 -0.087 0.000 2.333 156 Y HA 0.287 4.837 4.550 -0.000 0.000 0.324 156 Y C 0.289 176.131 175.900 -0.098 0.000 1.033 156 Y CA -0.749 57.321 58.100 -0.050 0.000 1.224 156 Y CB 1.510 39.988 38.460 0.030 0.000 1.120 156 Y HN 0.401 nan 8.280 nan 0.000 0.457 157 K N 2.866 123.181 120.400 -0.142 0.000 2.258 157 K HA 0.189 4.508 4.320 -0.000 0.000 0.284 157 K C 0.065 176.589 176.600 -0.126 0.000 1.051 157 K CA 0.054 56.116 56.287 -0.375 0.000 0.923 157 K CB 0.358 32.470 32.500 -0.646 0.000 1.046 157 K HN 0.818 nan 8.250 nan 0.000 0.474 158 N N 2.579 121.232 118.700 -0.078 0.000 2.753 158 N HA -0.200 4.540 4.740 -0.000 0.000 0.251 158 N C 0.416 175.976 175.510 0.084 0.000 1.097 158 N CA 1.512 54.566 53.050 0.007 0.000 0.786 158 N CB -1.364 37.116 38.487 -0.011 0.000 1.137 158 N HN 1.021 nan 8.380 nan 0.000 0.566 159 G N -1.775 107.113 108.800 0.147 0.000 2.148 159 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 159 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 159 G C -0.050 175.007 174.900 0.261 0.000 0.981 159 G CA 0.849 46.072 45.100 0.205 0.000 0.670 159 G HN 1.019 nan 8.290 nan 0.000 0.528 160 S N -0.854 114.978 115.700 0.220 0.000 2.537 160 S HA 0.742 5.212 4.470 -0.000 0.000 0.301 160 S C -0.127 174.548 174.600 0.126 0.000 1.092 160 S CA -0.680 57.634 58.200 0.189 0.000 1.048 160 S CB 1.053 64.297 63.200 0.074 0.000 1.053 160 S HN 1.148 nan 8.310 nan 0.000 0.501 161 F N 4.828 124.693 119.950 -0.142 0.000 2.471 161 F HA 0.453 4.980 4.527 -0.000 0.000 0.353 161 F C 0.563 176.197 175.800 -0.276 0.000 1.113 161 F CA -0.025 57.633 58.000 -0.571 0.000 1.262 161 F CB 0.296 39.018 39.000 -0.464 0.000 1.146 161 F HN 0.636 nan 8.300 nan 0.000 0.578 162 I N 2.790 122.620 120.570 -1.233 0.000 3.534 162 I HA 0.084 4.254 4.170 -0.000 0.000 0.251 162 I C -0.245 175.250 176.117 -1.037 0.000 1.136 162 I CA -0.150 60.735 61.300 -0.692 0.000 1.475 162 I CB 0.135 38.067 38.000 -0.114 0.000 1.526 162 I HN 0.585 nan 8.210 nan 0.000 0.454 163 H N 0.134 118.336 119.070 -1.446 0.000 2.905 163 H HA 0.626 5.182 4.556 -0.000 0.000 0.280 163 H C -1.167 174.010 175.328 -0.253 0.000 1.445 163 H CA -0.808 54.747 56.048 -0.822 0.000 1.165 163 H CB 1.044 30.637 29.762 -0.281 0.000 1.857 163 H HN 0.105 nan 8.280 nan 0.000 0.567 164 S N -0.386 115.403 115.700 0.147 0.000 2.697 164 S HA 0.727 5.197 4.470 -0.000 0.000 0.289 164 S C -1.218 173.461 174.600 0.131 0.000 1.149 164 S CA -0.657 57.635 58.200 0.153 0.000 0.850 164 S CB 1.911 65.281 63.200 0.285 0.000 1.151 164 S HN 0.541 nan 8.310 nan 0.000 0.491 165 V N 2.335 122.325 119.914 0.126 0.000 2.531 165 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 165 V C -2.504 173.668 176.094 0.131 0.000 1.034 165 V CA -2.035 60.342 62.300 0.129 0.000 0.865 165 V CB 1.745 33.646 31.823 0.130 0.000 0.995 165 V HN 0.873 nan 8.190 nan 0.000 0.424 166 P HA 0.084 nan 4.420 nan 0.000 0.271 166 P C 0.813 178.180 177.300 0.111 0.000 1.233 166 P CA -0.107 63.056 63.100 0.105 0.000 0.764 166 P CB 0.930 32.686 31.700 0.093 0.000 0.825 167 R N 3.757 124.312 120.500 0.092 0.000 2.265 167 R HA -0.273 4.067 4.340 -0.000 0.000 0.256 167 R C 1.335 177.667 176.300 0.053 0.000 1.120 167 R CA 2.422 58.555 56.100 0.055 0.000 0.956 167 R CB -1.427 28.898 30.300 0.041 0.000 0.925 167 R HN 0.602 nan 8.270 nan 0.000 0.448 168 H N -1.061 118.018 119.070 0.015 0.000 2.491 168 H HA 0.000 4.556 4.556 -0.000 0.000 0.290 168 H C 0.325 175.673 175.328 0.033 0.000 1.050 168 H CA 1.410 57.468 56.048 0.017 0.000 1.309 168 H CB 0.127 29.897 29.762 0.013 0.000 1.392 168 H HN 0.198 nan 8.280 nan 0.000 0.554 169 E N 0.324 120.604 120.200 0.134 0.000 3.786 169 E HA 0.219 4.569 4.350 -0.000 0.000 0.215 169 E C -1.451 175.215 176.600 0.109 0.000 1.188 169 E CA -0.301 56.162 56.400 0.106 0.000 1.248 169 E CB 0.100 29.862 29.700 0.105 0.000 1.260 169 E HN -0.070 nan 8.360 nan 0.000 0.426 170 V N 3.694 123.675 119.914 0.111 0.000 2.348 170 V HA 0.377 4.497 4.120 -0.000 0.000 0.270 170 V C -1.782 174.411 176.094 0.165 0.000 1.037 170 V CA -1.787 60.613 62.300 0.166 0.000 0.872 170 V CB 0.757 32.714 31.823 0.224 0.000 1.002 170 V HN 0.523 nan 8.190 nan 0.000 0.464 171 P HA -0.050 nan 4.420 nan 0.000 0.272 171 P C 0.484 177.884 177.300 0.168 0.000 1.225 171 P CA 0.237 63.424 63.100 0.144 0.000 0.800 171 P CB 0.757 32.539 31.700 0.136 0.000 0.894 172 D N -0.485 119.993 120.400 0.130 0.000 2.259 172 D HA 0.020 4.660 4.640 -0.000 0.000 0.216 172 D C 0.675 177.065 176.300 0.150 0.000 0.961 172 D CA 0.531 54.604 54.000 0.122 0.000 0.878 172 D CB -0.004 40.843 40.800 0.078 0.000 1.009 172 D HN 0.375 nan 8.370 nan 0.000 0.490 173 I N -0.237 120.411 120.570 0.129 0.000 2.778 173 I HA 0.319 4.488 4.170 -0.000 0.000 0.285 173 I C -0.503 175.686 176.117 0.119 0.000 1.236 173 I CA -0.846 60.528 61.300 0.123 0.000 1.089 173 I CB 0.682 38.721 38.000 0.065 0.000 1.601 173 I HN -0.174 nan 8.210 nan 0.000 0.573 174 L N 4.498 125.827 121.223 0.176 0.000 2.878 174 L HA -0.050 4.290 4.340 -0.000 0.000 0.285 174 L C 0.533 177.451 176.870 0.080 0.000 1.090 174 L CA 0.927 55.843 54.840 0.127 0.000 1.030 174 L CB 0.087 42.175 42.059 0.048 0.000 1.431 174 L HN 0.592 nan 8.230 nan 0.000 0.456 175 E N 3.869 124.101 120.200 0.053 0.000 2.330 175 E HA 0.525 4.875 4.350 -0.000 0.000 0.256 175 E C -0.730 175.895 176.600 0.041 0.000 1.146 175 E CA -0.655 55.746 56.400 0.001 0.000 0.945 175 E CB 1.906 31.616 29.700 0.017 0.000 1.182 175 E HN 0.297 nan 8.360 nan 0.000 0.480 176 V N 1.603 121.519 119.914 0.003 0.000 2.614 176 V HA 0.052 4.172 4.120 -0.000 0.000 0.281 176 V C -0.768 175.335 176.094 0.015 0.000 1.031 176 V CA -0.682 61.662 62.300 0.074 0.000 0.899 176 V CB 1.272 33.130 31.823 0.059 0.000 1.037 176 V HN 0.530 nan 8.190 nan 0.000 0.456 177 H N 5.944 125.015 119.070 0.002 0.000 2.562 177 H HA 0.646 5.202 4.556 -0.000 0.000 0.314 177 H C -1.010 174.306 175.328 -0.020 0.000 1.079 177 H CA -0.236 55.799 56.048 -0.021 0.000 1.349 177 H CB 1.502 31.258 29.762 -0.010 0.000 1.432 177 H HN 0.539 nan 8.280 nan 0.000 0.479 178 L N 8.509 129.781 121.223 0.083 0.000 2.492 178 L HA 0.300 4.640 4.340 -0.000 0.000 0.258 178 L C -2.544 174.407 176.870 0.136 0.000 1.028 178 L CA -1.839 53.064 54.840 0.106 0.000 0.900 178 L CB 2.147 44.209 42.059 0.005 0.000 1.191 178 L HN 0.437 nan 8.230 nan 0.000 0.459 179 P HA 0.193 nan 4.420 nan 0.000 0.284 179 P C -0.660 176.855 177.300 0.359 0.000 1.253 179 P CA -0.086 63.214 63.100 0.333 0.000 0.800 179 P CB 0.721 32.653 31.700 0.386 0.000 0.961 180 H N -1.074 118.013 119.070 0.029 0.000 2.748 180 H HA -0.122 4.434 4.556 -0.000 0.000 0.322 180 H C 0.304 175.638 175.328 0.010 0.000 1.208 180 H CA 0.625 56.682 56.048 0.015 0.000 1.151 180 H CB -2.426 27.345 29.762 0.016 0.000 1.505 180 H HN 0.642 nan 8.280 nan 0.000 0.429 181 A N 1.156 124.019 122.820 0.073 0.000 2.546 181 A HA 0.286 4.606 4.320 -0.000 0.000 0.243 181 A C 0.761 178.373 177.584 0.047 0.000 1.063 181 A CA -0.197 51.869 52.037 0.047 0.000 0.757 181 A CB 0.467 19.469 19.000 0.003 0.000 0.991 181 A HN 0.389 nan 8.150 nan 0.000 0.503 182 Q N 2.678 122.510 119.800 0.053 0.000 2.166 182 Q HA 0.350 4.690 4.340 -0.000 0.000 0.226 182 Q C -1.614 174.412 176.000 0.043 0.000 0.989 182 Q CA -1.900 53.930 55.803 0.046 0.000 0.966 182 Q CB 0.275 29.041 28.738 0.046 0.000 1.173 182 Q HN 0.567 nan 8.270 nan 0.000 0.509 183 P HA -0.166 nan 4.420 nan 0.000 0.217 183 P C 0.641 177.970 177.300 0.048 0.000 1.154 183 P CA 1.427 64.551 63.100 0.040 0.000 0.841 183 P CB 0.279 31.999 31.700 0.034 0.000 0.788 184 Q N -0.244 119.582 119.800 0.044 0.000 2.491 184 Q HA -0.022 4.318 4.340 -0.000 0.000 0.214 184 Q C 0.745 176.780 176.000 0.059 0.000 0.970 184 Q CA 0.793 56.623 55.803 0.045 0.000 0.960 184 Q CB -0.733 28.025 28.738 0.034 0.000 0.996 184 Q HN 0.039 nan 8.270 nan 0.000 0.524 185 D N -0.003 120.442 120.400 0.075 0.000 2.462 185 D HA 0.312 4.952 4.640 -0.000 0.000 0.221 185 D C -0.614 175.786 176.300 0.168 0.000 1.173 185 D CA -0.139 53.928 54.000 0.111 0.000 0.831 185 D CB 0.376 41.234 40.800 0.097 0.000 1.001 185 D HN 0.429 nan 8.370 nan 0.000 0.499 186 A N -0.939 121.964 122.820 0.139 0.000 2.281 186 A HA 0.909 5.229 4.320 -0.000 0.000 0.329 186 A C 0.724 178.415 177.584 0.179 0.000 1.122 186 A CA 0.109 52.251 52.037 0.174 0.000 0.850 186 A CB 1.365 20.428 19.000 0.105 0.000 1.207 186 A HN 0.270 nan 8.150 nan 0.000 0.495 187 G N -1.684 107.252 108.800 0.227 0.000 2.455 187 G HA2 0.446 4.406 3.960 -0.000 0.000 0.223 187 G HA3 0.446 4.406 3.960 -0.000 0.000 0.223 187 G C -1.677 173.344 174.900 0.203 0.000 1.226 187 G CA 0.163 45.347 45.100 0.141 0.000 0.948 187 G HN 1.341 nan 8.290 nan 0.000 0.478 188 V N 1.455 121.439 119.914 0.118 0.000 2.304 188 V HA 0.485 4.605 4.120 -0.000 0.000 0.278 188 V C -1.147 175.067 176.094 0.200 0.000 1.018 188 V CA -0.680 61.743 62.300 0.205 0.000 0.814 188 V CB 0.543 32.439 31.823 0.122 0.000 1.021 188 V HN 0.501 nan 8.190 nan 0.000 0.440 189 Y N 2.262 122.697 120.300 0.225 0.000 2.316 189 Y HA 0.522 5.072 4.550 -0.000 0.000 0.331 189 Y C 1.066 177.191 175.900 0.375 0.000 1.083 189 Y CA 0.144 58.407 58.100 0.270 0.000 1.206 189 Y CB 1.359 39.961 38.460 0.237 0.000 1.195 189 Y HN 0.598 nan 8.280 nan 0.000 0.497 190 S N 1.199 117.088 115.700 0.316 0.000 2.766 190 S HA 0.937 5.407 4.470 -0.000 0.000 0.307 190 S C -0.896 173.521 174.600 -0.305 0.000 1.121 190 S CA -0.749 57.472 58.200 0.035 0.000 0.980 190 S CB 1.818 65.044 63.200 0.044 0.000 1.159 190 S HN 0.706 nan 8.310 nan 0.000 0.546 191 A N 1.460 123.899 122.820 -0.635 0.000 2.500 191 A HA 0.696 5.016 4.320 -0.000 0.000 0.291 191 A C -0.750 176.532 177.584 -0.503 0.000 1.048 191 A CA -0.906 50.656 52.037 -0.791 0.000 0.791 191 A CB 1.041 18.989 19.000 -1.753 0.000 1.309 191 A HN 0.876 nan 8.150 nan 0.000 0.397 192 R N 1.249 121.610 120.500 -0.232 0.000 2.739 192 R HA 0.583 4.923 4.340 -0.000 0.000 0.271 192 R C -1.752 174.641 176.300 0.156 0.000 1.010 192 R CA -0.800 55.271 56.100 -0.049 0.000 0.897 192 R CB 1.025 31.263 30.300 -0.103 0.000 1.236 192 R HN 0.561 nan 8.270 nan 0.000 0.466 193 Y N 3.150 123.544 120.300 0.157 0.000 2.584 193 Y HA 0.005 4.555 4.550 -0.000 0.000 0.351 193 Y C 1.882 177.825 175.900 0.072 0.000 1.030 193 Y CA -0.559 57.623 58.100 0.138 0.000 1.332 193 Y CB 0.775 39.275 38.460 0.067 0.000 1.148 193 Y HN 0.734 nan 8.280 nan 0.000 0.528 194 I N 3.668 124.391 120.570 0.255 0.000 3.938 194 I HA -0.364 3.806 4.170 -0.000 0.000 0.148 194 I C 1.485 177.655 176.117 0.088 0.000 0.715 194 I CA 2.177 63.569 61.300 0.155 0.000 0.935 194 I CB -0.916 37.151 38.000 0.111 0.000 0.757 194 I HN 0.672 nan 8.210 nan 0.000 0.267 195 G N 0.775 109.615 108.800 0.068 0.000 2.439 195 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 195 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 195 G C -0.036 174.880 174.900 0.027 0.000 1.044 195 G CA 0.342 45.459 45.100 0.028 0.000 1.168 195 G HN 1.290 nan 8.290 nan 0.000 0.433 196 G N 2.288 111.081 108.800 -0.011 0.000 2.376 196 G HA2 0.245 4.205 3.960 -0.000 0.000 0.302 196 G HA3 0.245 4.205 3.960 -0.000 0.000 0.302 196 G C -0.495 174.352 174.900 -0.089 0.000 1.586 196 G CA -1.172 43.909 45.100 -0.030 0.000 0.907 196 G HN 0.560 nan 8.290 nan 0.000 0.655 197 N N -0.672 117.968 118.700 -0.100 0.000 2.265 197 N HA 0.009 4.749 4.740 -0.000 0.000 0.231 197 N C 1.127 176.508 175.510 -0.215 0.000 1.266 197 N CA 0.017 52.961 53.050 -0.177 0.000 0.862 197 N CB 0.608 39.020 38.487 -0.125 0.000 1.100 197 N HN 0.325 nan 8.380 nan 0.000 0.439 198 L N 0.517 121.517 121.223 -0.372 0.000 2.612 198 L HA 0.199 4.538 4.340 -0.000 0.000 0.230 198 L C 1.073 178.022 176.870 0.132 0.000 1.140 198 L CA 0.768 55.438 54.840 -0.282 0.000 0.896 198 L CB -0.505 41.329 42.059 -0.376 0.000 1.065 198 L HN 0.545 nan 8.230 nan 0.000 0.447 199 F N -2.899 117.037 119.950 -0.023 0.000 2.784 199 F HA 0.092 4.619 4.527 -0.000 0.000 0.323 199 F C 2.043 177.823 175.800 -0.034 0.000 1.085 199 F CA -0.035 57.991 58.000 0.042 0.000 1.196 199 F CB 0.427 39.459 39.000 0.053 0.000 1.053 199 F HN -0.079 nan 8.300 nan 0.000 0.578 200 T N -0.059 114.542 114.554 0.079 0.000 3.148 200 T HA 0.067 4.417 4.350 -0.000 0.000 0.253 200 T C 0.873 175.501 174.700 -0.121 0.000 1.134 200 T CA 0.221 62.313 62.100 -0.012 0.000 1.051 200 T CB -0.255 68.599 68.868 -0.023 0.000 0.959 200 T HN 0.010 nan 8.240 nan 0.000 0.525 201 S N 1.381 116.954 115.700 -0.211 0.000 2.596 201 S HA 0.615 5.085 4.470 -0.000 0.000 0.260 201 S C 0.154 174.371 174.600 -0.638 0.000 1.336 201 S CA -0.545 57.403 58.200 -0.420 0.000 0.993 201 S CB 0.873 63.773 63.200 -0.500 0.000 0.923 201 S HN 0.570 nan 8.310 nan 0.000 0.567 202 A N 0.810 123.230 122.820 -0.668 0.000 2.331 202 A HA 0.745 5.065 4.320 -0.000 0.000 0.320 202 A C -0.744 176.496 177.584 -0.574 0.000 1.138 202 A CA -0.707 51.011 52.037 -0.532 0.000 0.790 202 A CB 0.191 19.022 19.000 -0.281 0.000 1.206 202 A HN 0.589 nan 8.150 nan 0.000 0.470 203 F N 0.473 120.475 119.950 0.086 0.000 2.461 203 F HA 0.842 5.368 4.527 -0.000 0.000 0.332 203 F C 0.948 176.896 175.800 0.247 0.000 1.073 203 F CA -0.228 57.866 58.000 0.157 0.000 1.017 203 F CB 2.243 41.302 39.000 0.099 0.000 1.301 203 F HN 0.525 nan 8.300 nan 0.000 0.492 204 T N 0.940 115.779 114.554 0.476 0.000 3.610 204 T HA 0.183 4.533 4.350 -0.000 0.000 0.419 204 T C -1.580 173.273 174.700 0.255 0.000 1.582 204 T CA -0.807 61.470 62.100 0.294 0.000 1.146 204 T CB 0.743 69.736 68.868 0.208 0.000 1.460 204 T HN 0.804 nan 8.240 nan 0.000 0.465 205 R N 4.497 125.096 120.500 0.165 0.000 2.428 205 R HA 0.747 5.087 4.340 -0.000 0.000 0.294 205 R C -1.063 175.285 176.300 0.080 0.000 1.000 205 R CA -0.884 55.304 56.100 0.146 0.000 0.960 205 R CB 0.901 31.267 30.300 0.109 0.000 1.076 205 R HN 0.507 nan 8.270 nan 0.000 0.475 206 L N 6.839 128.118 121.223 0.093 0.000 2.341 206 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 206 L C -1.282 175.611 176.870 0.039 0.000 1.005 206 L CA -0.666 54.177 54.840 0.005 0.000 0.818 206 L CB 1.584 43.591 42.059 -0.087 0.000 1.259 206 L HN 0.752 nan 8.230 nan 0.000 0.418 207 I N 5.839 126.415 120.570 0.009 0.000 2.411 207 I HA 0.397 4.567 4.170 -0.000 0.000 0.284 207 I C -0.284 175.843 176.117 0.016 0.000 1.012 207 I CA -0.750 60.566 61.300 0.027 0.000 1.119 207 I CB 1.839 39.856 38.000 0.029 0.000 1.261 207 I HN 0.198 nan 8.210 nan 0.000 0.448 208 V N 6.530 126.461 119.914 0.029 0.000 2.532 208 V HA 0.522 4.642 4.120 -0.000 0.000 0.295 208 V C 0.129 176.242 176.094 0.031 0.000 1.041 208 V CA -0.701 61.612 62.300 0.022 0.000 0.926 208 V CB 1.837 33.675 31.823 0.026 0.000 0.992 208 V HN 0.760 nan 8.190 nan 0.000 0.457 209 R N 3.364 123.881 120.500 0.028 0.000 2.514 209 R HA 0.555 4.895 4.340 -0.000 0.000 0.301 209 R C 1.014 177.330 176.300 0.026 0.000 0.962 209 R CA -0.883 55.236 56.100 0.032 0.000 0.882 209 R CB 1.635 31.958 30.300 0.039 0.000 1.143 209 R HN 0.598 nan 8.270 nan 0.000 0.452 210 R N 1.002 121.516 120.500 0.023 0.000 2.165 210 R HA -0.202 4.138 4.340 -0.000 0.000 0.254 210 R C -0.217 176.096 176.300 0.022 0.000 1.153 210 R CA 1.986 58.098 56.100 0.020 0.000 0.971 210 R CB -0.195 30.113 30.300 0.013 0.000 0.878 210 R HN 0.751 nan 8.270 nan 0.000 0.449 211 c N 0.269 118.886 118.600 0.028 0.000 2.547 211 c HA 0.369 4.939 4.570 -0.000 0.000 0.411 211 c C 0.059 174.167 174.090 0.029 0.000 1.424 211 c CA -1.112 55.236 56.329 0.031 0.000 1.848 211 c CB 1.471 44.011 42.510 0.050 0.000 2.062 211 c HN 0.497 nan 8.230 nan 0.000 0.504 212 E N 1.087 121.304 120.200 0.027 0.000 2.267 212 E HA 0.545 4.895 4.350 -0.000 0.000 0.258 212 E C -0.246 176.374 176.600 0.033 0.000 1.074 212 E CA -0.315 56.096 56.400 0.019 0.000 0.915 212 E CB 0.448 30.153 29.700 0.008 0.000 1.186 212 E HN 0.724 nan 8.360 nan 0.000 0.439 213 A N 0.886 123.720 122.820 0.023 0.000 2.547 213 A HA -0.060 4.259 4.320 -0.000 0.000 0.233 213 A C 0.716 178.331 177.584 0.051 0.000 1.067 213 A CA 0.365 52.422 52.037 0.033 0.000 0.763 213 A CB -0.237 18.773 19.000 0.016 0.000 1.007 213 A HN 0.732 nan 8.150 nan 0.000 0.506 214 Q N -1.389 118.454 119.800 0.071 0.000 2.264 214 Q HA -0.211 4.129 4.340 -0.000 0.000 0.207 214 Q C -0.452 175.629 176.000 0.135 0.000 0.702 214 Q CA 2.263 58.124 55.803 0.096 0.000 1.411 214 Q CB -1.646 27.133 28.738 0.067 0.000 1.717 214 Q HN 0.870 nan 8.270 nan 0.000 0.683 215 K N 0.513 120.989 120.400 0.126 0.000 2.324 215 K HA 0.591 4.911 4.320 -0.000 0.000 0.253 215 K C -0.032 176.682 176.600 0.190 0.000 0.932 215 K CA -0.551 55.807 56.287 0.119 0.000 0.799 215 K CB 1.962 34.487 32.500 0.041 0.000 1.154 215 K HN 0.169 nan 8.250 nan 0.000 0.425 216 W N 0.052 121.366 121.300 0.024 0.000 3.040 216 W HA 0.762 5.422 4.660 -0.000 0.000 0.344 216 W C -0.669 175.820 176.519 -0.049 0.000 1.201 216 W CA -1.041 56.285 57.345 -0.032 0.000 1.119 216 W CB 0.911 30.336 29.460 -0.059 0.000 1.478 216 W HN 0.803 nan 8.180 nan 0.000 0.586 217 G N 0.433 109.196 108.800 -0.061 0.000 2.335 217 G HA2 0.012 3.971 3.960 -0.000 0.000 0.592 217 G HA3 0.012 3.971 3.960 -0.000 0.000 0.592 217 G C -2.244 172.560 174.900 -0.159 0.000 1.442 217 G CA -0.432 44.367 45.100 -0.501 0.000 0.976 217 G HN 0.309 nan 8.290 nan 0.000 0.652 218 P HA 0.012 nan 4.420 nan 0.000 0.236 218 P C 0.416 177.706 177.300 -0.018 0.000 1.172 218 P CA 1.656 64.732 63.100 -0.039 0.000 0.759 218 P CB 0.170 31.858 31.700 -0.019 0.000 0.843 219 E N -3.578 116.608 120.200 -0.024 0.000 2.798 219 E HA 0.146 4.496 4.350 -0.000 0.000 0.170 219 E C -0.104 176.486 176.600 -0.017 0.000 0.912 219 E CA -0.377 56.017 56.400 -0.011 0.000 1.349 219 E CB -1.410 28.288 29.700 -0.004 0.000 1.023 219 E HN -0.045 nan 8.360 nan 0.000 0.475 220 c N 1.077 119.657 118.600 -0.034 0.000 4.209 220 c HA -0.149 4.421 4.570 -0.000 0.000 0.305 220 c C 0.265 174.328 174.090 -0.044 0.000 1.339 220 c CA 0.734 57.039 56.329 -0.040 0.000 2.062 220 c CB -2.717 39.785 42.510 -0.012 0.000 1.307 220 c HN 0.552 nan 8.230 nan 0.000 0.706 221 N N -0.156 118.539 118.700 -0.009 0.000 2.416 221 N HA 0.296 5.036 4.740 -0.000 0.000 0.267 221 N C -0.363 174.957 175.510 -0.316 0.000 1.294 221 N CA -0.127 52.850 53.050 -0.121 0.000 0.891 221 N CB 0.386 38.775 38.487 -0.164 0.000 1.238 221 N HN 0.769 nan 8.380 nan 0.000 0.508 222 H N -0.680 118.092 119.070 -0.496 0.000 2.980 222 H HA 0.480 5.036 4.556 -0.000 0.000 0.367 222 H C -0.661 174.406 175.328 -0.436 0.000 1.206 222 H CA -0.986 54.680 56.048 -0.636 0.000 1.126 222 H CB 1.164 30.075 29.762 -1.418 0.000 1.838 222 H HN -0.045 nan 8.280 nan 0.000 0.552 223 L N -0.983 120.256 121.223 0.027 0.000 2.309 223 L HA 0.634 4.974 4.340 -0.000 0.000 0.282 223 L C -0.416 176.754 176.870 0.500 0.000 1.036 223 L CA -0.878 54.082 54.840 0.200 0.000 0.806 223 L CB 1.188 43.322 42.059 0.124 0.000 1.220 223 L HN 0.481 nan 8.230 nan 0.000 0.429 224 c N 1.798 120.675 118.600 0.461 0.000 2.662 224 c HA 0.106 4.676 4.570 -0.000 0.000 0.420 224 c C 1.345 175.539 174.090 0.174 0.000 1.314 224 c CA 0.058 56.589 56.329 0.337 0.000 1.963 224 c CB 0.197 42.833 42.510 0.210 0.000 2.686 224 c HN 0.865 nan 8.230 nan 0.000 0.609 225 T N 4.200 118.803 114.554 0.082 0.000 3.826 225 T HA 0.243 4.593 4.350 -0.000 0.000 0.239 225 T C 0.729 175.458 174.700 0.049 0.000 1.007 225 T CA 0.143 62.276 62.100 0.055 0.000 1.171 225 T CB -0.637 68.234 68.868 0.005 0.000 1.153 225 T HN 0.969 nan 8.240 nan 0.000 0.854 226 A N 2.370 125.228 122.820 0.063 0.000 2.602 226 A HA 0.041 4.361 4.320 -0.000 0.000 0.256 226 A C 0.803 178.408 177.584 0.036 0.000 0.956 226 A CA -0.198 51.869 52.037 0.050 0.000 0.878 226 A CB -0.557 18.471 19.000 0.046 0.000 0.834 226 A HN 0.890 nan 8.150 nan 0.000 0.473 227 c N 4.446 123.065 118.600 0.032 0.000 2.493 227 c HA 0.829 5.399 4.570 -0.000 0.000 0.326 227 c C 0.590 174.686 174.090 0.009 0.000 1.200 227 c CA -1.050 55.292 56.329 0.023 0.000 1.739 227 c CB 1.120 43.647 42.510 0.029 0.000 2.300 227 c HN 0.881 nan 8.230 nan 0.000 0.500 228 M N 1.390 120.986 119.600 -0.006 0.000 2.734 228 M HA 0.406 4.886 4.480 -0.000 0.000 0.264 228 M C 0.557 176.803 176.300 -0.091 0.000 1.080 228 M CA -0.520 54.762 55.300 -0.030 0.000 0.981 228 M CB -0.293 32.298 32.600 -0.015 0.000 1.514 228 M HN 0.742 nan 8.290 nan 0.000 0.569 229 N N 1.800 120.410 118.700 -0.150 0.000 2.702 229 N HA -0.242 4.498 4.740 -0.000 0.000 0.255 229 N C -0.673 174.704 175.510 -0.222 0.000 0.983 229 N CA 1.086 53.948 53.050 -0.313 0.000 0.768 229 N CB -1.572 36.459 38.487 -0.760 0.000 0.918 229 N HN 0.823 nan 8.380 nan 0.000 0.540 230 N N -1.679 116.954 118.700 -0.110 0.000 2.671 230 N HA -0.187 4.553 4.740 -0.000 0.000 0.261 230 N C 0.013 175.565 175.510 0.068 0.000 1.053 230 N CA 0.996 54.028 53.050 -0.030 0.000 0.732 230 N CB -0.665 37.799 38.487 -0.038 0.000 0.887 230 N HN 0.583 nan 8.380 nan 0.000 0.546 231 G N -0.015 108.825 108.800 0.067 0.000 2.452 231 G HA2 0.644 4.603 3.960 -0.000 0.000 0.324 231 G HA3 0.644 4.603 3.960 -0.000 0.000 0.324 231 G C -0.136 174.847 174.900 0.138 0.000 1.214 231 G CA -0.505 44.682 45.100 0.145 0.000 0.947 231 G HN 0.240 nan 8.290 nan 0.000 0.478 232 V N 0.026 120.069 119.914 0.215 0.000 2.973 232 V HA 0.542 4.662 4.120 -0.000 0.000 0.314 232 V C 0.165 176.334 176.094 0.125 0.000 1.066 232 V CA -0.870 61.521 62.300 0.152 0.000 1.021 232 V CB 1.715 33.640 31.823 0.169 0.000 1.076 232 V HN 0.898 nan 8.190 nan 0.000 0.462 233 c N 2.208 120.869 118.600 0.102 0.000 2.351 233 c HA 0.575 5.145 4.570 -0.000 0.000 0.326 233 c C 0.058 174.217 174.090 0.116 0.000 1.272 233 c CA -0.664 55.716 56.329 0.084 0.000 1.650 233 c CB -0.115 42.435 42.510 0.066 0.000 2.257 233 c HN 0.976 nan 8.230 nan 0.000 0.505 234 H N 3.564 122.613 119.070 -0.035 0.000 3.017 234 H HA 0.233 4.789 4.556 -0.000 0.000 0.276 234 H C 0.942 176.256 175.328 -0.023 0.000 1.062 234 H CA 0.200 56.228 56.048 -0.034 0.000 1.486 234 H CB 0.746 30.458 29.762 -0.084 0.000 1.507 234 H HN 0.780 nan 8.280 nan 0.000 0.508 235 E N 2.084 122.204 120.200 -0.133 0.000 2.357 235 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 235 E C 0.037 176.601 176.600 -0.059 0.000 1.177 235 E CA 0.444 56.852 56.400 0.013 0.000 0.998 235 E CB 0.107 29.835 29.700 0.048 0.000 1.106 235 E HN 0.685 nan 8.360 nan 0.000 0.470 236 D N -1.464 118.715 120.400 -0.368 0.000 2.415 236 D HA 0.019 4.658 4.640 -0.000 0.000 0.269 236 D C 1.129 177.370 176.300 -0.098 0.000 1.099 236 D CA 1.074 54.933 54.000 -0.235 0.000 0.865 236 D CB 0.740 41.239 40.800 -0.502 0.000 1.359 236 D HN 0.283 nan 8.370 nan 0.000 0.506 237 T N -4.643 109.718 114.554 -0.322 0.000 3.075 237 T HA 0.400 4.750 4.350 -0.000 0.000 0.251 237 T C 1.718 175.541 174.700 -1.462 0.000 0.979 237 T CA 0.559 62.314 62.100 -0.575 0.000 1.033 237 T CB 1.181 69.957 68.868 -0.154 0.000 1.104 237 T HN 0.070 nan 8.240 nan 0.000 0.473 238 G N 0.992 109.047 108.800 -1.242 0.000 2.184 238 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.206 238 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.206 238 G C -0.150 174.427 174.900 -0.539 0.000 0.995 238 G CA -0.111 44.116 45.100 -1.454 0.000 0.651 238 G HN 0.546 nan 8.290 nan 0.000 0.511 239 E N -0.352 119.649 120.200 -0.333 0.000 2.267 239 E HA 0.658 5.008 4.350 -0.000 0.000 0.258 239 E C 0.279 176.832 176.600 -0.078 0.000 1.074 239 E CA -0.335 55.968 56.400 -0.162 0.000 0.915 239 E CB 1.191 30.809 29.700 -0.135 0.000 1.186 239 E HN 0.293 nan 8.360 nan 0.000 0.439 240 c N 0.853 119.427 118.600 -0.043 0.000 2.366 240 c HA 0.537 5.107 4.570 -0.000 0.000 0.345 240 c C 0.711 174.792 174.090 -0.015 0.000 1.209 240 c CA -0.712 55.616 56.329 -0.003 0.000 2.050 240 c CB -0.243 42.275 42.510 0.014 0.000 2.359 240 c HN 0.481 nan 8.230 nan 0.000 0.527 241 I N 2.420 122.994 120.570 0.007 0.000 2.313 241 I HA 0.161 4.331 4.170 -0.000 0.000 0.286 241 I C 0.331 176.392 176.117 -0.093 0.000 1.091 241 I CA 0.072 61.339 61.300 -0.054 0.000 1.216 241 I CB -0.115 37.866 38.000 -0.032 0.000 1.434 241 I HN 0.724 nan 8.210 nan 0.000 0.487 242 c N 6.255 124.814 118.600 -0.069 0.000 2.796 242 c HA 0.102 4.672 4.570 -0.000 0.000 0.394 242 c C -1.817 172.180 174.090 -0.155 0.000 1.276 242 c CA -0.433 55.878 56.329 -0.029 0.000 2.038 242 c CB -0.826 41.716 42.510 0.053 0.000 2.709 242 c HN 0.451 nan 8.230 nan 0.000 0.709 243 P HA 0.254 nan 4.420 nan 0.000 0.282 243 P C -2.498 174.863 177.300 0.102 0.000 1.249 243 P CA -1.628 61.493 63.100 0.036 0.000 0.806 243 P CB -0.044 31.849 31.700 0.323 0.000 0.984 244 P HA -0.019 nan 4.420 nan 0.000 0.252 244 P C 0.598 177.907 177.300 0.017 0.000 1.183 244 P CA 1.108 64.160 63.100 -0.079 0.000 0.973 244 P CB -0.630 30.854 31.700 -0.359 0.000 0.990 245 G N 1.827 110.628 108.800 0.002 0.000 2.902 245 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.215 245 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.215 245 G C -0.495 174.064 174.900 -0.569 0.000 0.976 245 G CA -0.529 44.432 45.100 -0.231 0.000 0.794 245 G HN 0.383 nan 8.290 nan 0.000 0.557 246 F N 0.823 120.802 119.950 0.049 0.000 2.613 246 F HA 0.837 5.363 4.527 -0.000 0.000 0.310 246 F C 0.297 176.111 175.800 0.023 0.000 1.085 246 F CA -0.958 57.072 58.000 0.049 0.000 0.945 246 F CB 1.980 41.026 39.000 0.076 0.000 1.298 246 F HN 0.233 nan 8.300 nan 0.000 0.455 247 M N 0.787 120.509 119.600 0.203 0.000 2.812 247 M HA 1.024 5.504 4.480 -0.000 0.000 0.285 247 M C -0.215 176.150 176.300 0.109 0.000 1.216 247 M CA -0.608 54.759 55.300 0.112 0.000 0.749 247 M CB 2.295 34.932 32.600 0.061 0.000 1.756 247 M HN 1.075 nan 8.290 nan 0.000 0.439 248 G N 0.455 109.296 108.800 0.068 0.000 2.697 248 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.686 248 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.686 248 G C -0.334 174.591 174.900 0.041 0.000 1.179 248 G CA -0.328 44.807 45.100 0.060 0.000 0.765 248 G HN 0.971 nan 8.290 nan 0.000 0.649 249 R N -0.049 120.468 120.500 0.029 0.000 2.316 249 R HA -0.112 4.227 4.340 -0.000 0.000 0.232 249 R C 2.217 178.527 176.300 0.017 0.000 1.137 249 R CA 1.973 58.082 56.100 0.014 0.000 1.012 249 R CB -0.191 30.114 30.300 0.009 0.000 0.859 249 R HN 0.913 nan 8.270 nan 0.000 0.474 250 T N -5.706 108.867 114.554 0.032 0.000 3.144 250 T HA 0.150 4.499 4.350 -0.000 0.000 0.290 250 T C 0.751 175.471 174.700 0.034 0.000 0.966 250 T CA -0.042 62.076 62.100 0.031 0.000 0.907 250 T CB -0.052 68.836 68.868 0.034 0.000 1.152 250 T HN 0.275 nan 8.240 nan 0.000 0.532 251 c N 1.361 119.993 118.600 0.052 0.000 4.400 251 c HA -0.163 4.407 4.570 -0.000 0.000 0.275 251 c C 1.739 175.879 174.090 0.083 0.000 1.391 251 c CA 0.935 57.309 56.329 0.076 0.000 1.816 251 c CB -2.609 39.922 42.510 0.035 0.000 1.404 251 c HN 0.746 nan 8.230 nan 0.000 0.754 252 E N 0.482 120.731 120.200 0.082 0.000 2.347 252 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 252 E C 1.022 177.729 176.600 0.178 0.000 1.008 252 E CA 0.567 57.024 56.400 0.094 0.000 0.852 252 E CB 0.134 29.881 29.700 0.077 0.000 0.783 252 E HN 0.525 nan 8.360 nan 0.000 0.505 253 K N 1.431 121.952 120.400 0.202 0.000 2.297 253 K HA 0.216 4.536 4.320 -0.000 0.000 0.286 253 K C -0.962 175.808 176.600 0.283 0.000 1.053 253 K CA -0.176 56.232 56.287 0.201 0.000 0.940 253 K CB 1.018 33.597 32.500 0.131 0.000 1.019 253 K HN -0.091 nan 8.250 nan 0.000 0.475 254 A N 4.936 127.880 122.820 0.207 0.000 2.310 254 A HA 0.266 4.586 4.320 -0.000 0.000 0.300 254 A C 0.195 177.735 177.584 -0.073 0.000 1.269 254 A CA -0.738 51.328 52.037 0.049 0.000 0.909 254 A CB -0.382 18.660 19.000 0.070 0.000 1.144 254 A HN 0.902 nan 8.150 nan 0.000 0.540 255 c N 1.358 119.854 118.600 -0.173 0.000 2.832 255 c HA 0.111 4.681 4.570 -0.000 0.000 0.299 255 c C 1.286 175.294 174.090 -0.137 0.000 1.440 255 c CA -0.342 55.911 56.329 -0.128 0.000 2.191 255 c CB -0.326 42.100 42.510 -0.140 0.000 2.243 255 c HN 0.833 nan 8.230 nan 0.000 0.720 256 E N 0.343 120.480 120.200 -0.105 0.000 2.398 256 E HA 0.087 4.437 4.350 -0.000 0.000 0.263 256 E C -0.293 176.210 176.600 -0.162 0.000 1.046 256 E CA -0.104 56.233 56.400 -0.104 0.000 0.908 256 E CB 0.361 30.021 29.700 -0.067 0.000 0.963 256 E HN 0.411 nan 8.360 nan 0.000 0.431 257 L N 4.598 125.686 121.223 -0.225 0.000 2.559 257 L HA -0.109 4.231 4.340 -0.000 0.000 0.274 257 L C 0.011 176.665 176.870 -0.360 0.000 1.205 257 L CA 0.402 54.957 54.840 -0.474 0.000 0.907 257 L CB -0.112 41.590 42.059 -0.596 0.000 1.153 257 L HN 0.792 nan 8.230 nan 0.000 0.490 258 H N 0.581 119.535 119.070 -0.193 0.000 2.941 258 H HA -0.132 4.424 4.556 -0.000 0.000 0.279 258 H C 0.196 175.540 175.328 0.027 0.000 1.247 258 H CA 0.790 56.810 56.048 -0.047 0.000 1.129 258 H CB -2.157 27.574 29.762 -0.051 0.000 1.313 258 H HN 0.766 nan 8.280 nan 0.000 0.384 259 T N -1.790 112.807 114.554 0.071 0.000 2.905 259 T HA 0.792 5.142 4.350 -0.000 0.000 0.283 259 T C -0.000 174.770 174.700 0.118 0.000 1.031 259 T CA -0.388 61.740 62.100 0.047 0.000 1.002 259 T CB 3.109 71.945 68.868 -0.053 0.000 1.200 259 T HN 0.372 nan 8.240 nan 0.000 0.560 260 F N -2.915 116.976 119.950 -0.099 0.000 2.799 260 F HA 0.716 5.243 4.527 -0.000 0.000 0.316 260 F C -0.580 175.164 175.800 -0.093 0.000 1.155 260 F CA -0.146 57.749 58.000 -0.176 0.000 0.916 260 F CB 0.911 39.672 39.000 -0.399 0.000 1.294 260 F HN 1.342 nan 8.300 nan 0.000 0.447 261 G N 1.471 110.348 108.800 0.129 0.000 2.465 261 G HA2 0.036 3.996 3.960 -0.000 0.000 0.681 261 G HA3 0.036 3.996 3.960 -0.000 0.000 0.681 261 G C -0.203 174.707 174.900 0.016 0.000 1.340 261 G CA -0.428 44.686 45.100 0.022 0.000 0.884 261 G HN 1.193 nan 8.290 nan 0.000 0.650 262 R N -0.485 120.026 120.500 0.017 0.000 2.204 262 R HA -0.169 4.171 4.340 -0.000 0.000 0.253 262 R C 2.299 178.594 176.300 -0.009 0.000 1.172 262 R CA 2.815 58.911 56.100 -0.007 0.000 0.994 262 R CB -0.129 30.156 30.300 -0.026 0.000 0.874 262 R HN 1.028 nan 8.270 nan 0.000 0.462 263 T N -5.118 109.426 114.554 -0.016 0.000 3.192 263 T HA 0.186 4.536 4.350 -0.000 0.000 0.295 263 T C -0.105 174.576 174.700 -0.031 0.000 0.947 263 T CA -0.079 62.014 62.100 -0.013 0.000 0.916 263 T CB -0.438 68.425 68.868 -0.007 0.000 1.169 263 T HN 0.209 nan 8.240 nan 0.000 0.540 264 c N 2.321 120.887 118.600 -0.058 0.000 1.695 264 c HA 0.038 4.608 4.570 -0.000 0.000 0.241 264 c C 0.376 174.403 174.090 -0.105 0.000 0.721 264 c CA 0.171 56.444 56.329 -0.094 0.000 3.186 264 c CB -1.336 41.133 42.510 -0.068 0.000 1.807 264 c HN 0.682 nan 8.230 nan 0.000 0.272 265 K N 0.572 120.872 120.400 -0.167 0.000 2.664 265 K HA 0.124 4.443 4.320 -0.000 0.000 0.151 265 K C -0.453 176.007 176.600 -0.233 0.000 1.259 265 K CA -0.047 56.150 56.287 -0.151 0.000 1.140 265 K CB 0.414 32.850 32.500 -0.107 0.000 1.054 265 K HN 0.748 nan 8.250 nan 0.000 0.463 266 E N 0.995 120.960 120.200 -0.392 0.000 2.182 266 E HA 0.332 4.682 4.350 -0.000 0.000 0.258 266 E C -1.120 175.174 176.600 -0.510 0.000 0.879 266 E CA -0.564 55.452 56.400 -0.640 0.000 0.754 266 E CB 0.944 29.803 29.700 -1.401 0.000 1.162 266 E HN -0.163 nan 8.360 nan 0.000 0.419 267 R N 1.909 122.294 120.500 -0.193 0.000 2.265 267 R HA 0.310 4.650 4.340 -0.000 0.000 0.314 267 R C -0.640 175.800 176.300 0.234 0.000 1.053 267 R CA -0.456 55.653 56.100 0.016 0.000 0.931 267 R CB 0.403 30.714 30.300 0.017 0.000 1.024 267 R HN 0.557 nan 8.270 nan 0.000 0.457 268 c N 2.705 121.533 118.600 0.381 0.000 2.634 268 c HA 0.039 4.609 4.570 -0.000 0.000 0.418 268 c C 1.732 176.013 174.090 0.317 0.000 1.373 268 c CA -0.062 56.592 56.329 0.543 0.000 1.756 268 c CB -0.065 42.682 42.510 0.396 0.000 2.589 268 c HN 0.963 nan 8.230 nan 0.000 0.602 269 S N 3.431 119.379 115.700 0.414 0.000 2.374 269 S HA 0.017 4.487 4.470 -0.000 0.000 0.207 269 S C 1.351 176.005 174.600 0.090 0.000 1.042 269 S CA 0.576 58.913 58.200 0.229 0.000 1.034 269 S CB -1.022 62.344 63.200 0.277 0.000 1.018 269 S HN 1.121 nan 8.310 nan 0.000 0.419 270 G N 3.949 112.793 108.800 0.074 0.000 2.215 270 G HA2 0.023 3.982 3.960 -0.000 0.000 0.266 270 G HA3 0.023 3.982 3.960 -0.000 0.000 0.266 270 G C 1.015 175.850 174.900 -0.108 0.000 0.831 270 G CA 0.352 45.422 45.100 -0.050 0.000 1.010 270 G HN 0.576 nan 8.290 nan 0.000 0.346 271 Q N 2.642 122.401 119.800 -0.069 0.000 2.195 271 Q HA -0.320 4.020 4.340 -0.000 0.000 0.220 271 Q C 0.701 176.644 176.000 -0.094 0.000 1.070 271 Q CA 2.256 58.016 55.803 -0.072 0.000 0.945 271 Q CB -0.838 27.875 28.738 -0.041 0.000 1.085 271 Q HN 0.776 nan 8.270 nan 0.000 0.452 272 E N 2.581 122.734 120.200 -0.077 0.000 2.053 272 E HA 0.284 4.634 4.350 -0.000 0.000 0.297 272 E C 1.038 177.628 176.600 -0.016 0.000 1.173 272 E CA 0.158 56.556 56.400 -0.004 0.000 1.219 272 E CB -0.500 29.207 29.700 0.012 0.000 1.103 272 E HN 0.549 nan 8.360 nan 0.000 0.476 273 G N 1.968 110.709 108.800 -0.098 0.000 2.699 273 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.347 273 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.347 273 G C 0.771 175.644 174.900 -0.046 0.000 1.225 273 G CA 0.695 45.768 45.100 -0.045 0.000 0.973 273 G HN 0.614 nan 8.290 nan 0.000 0.551 274 c N 1.109 119.715 118.600 0.010 0.000 2.863 274 c HA 0.513 5.083 4.570 -0.000 0.000 0.284 274 c C 1.365 174.884 174.090 -0.951 0.000 1.426 274 c CA -0.228 55.871 56.329 -0.384 0.000 1.782 274 c CB -0.380 42.209 42.510 0.130 0.000 2.554 274 c HN 0.663 nan 8.230 nan 0.000 0.566 275 K N 2.123 121.777 120.400 -1.244 0.000 3.419 275 K HA 0.017 4.337 4.320 -0.000 0.000 0.279 275 K C 0.916 177.093 176.600 -0.704 0.000 0.665 275 K CA 1.068 56.528 56.287 -1.378 0.000 0.965 275 K CB -0.705 31.174 32.500 -1.036 0.000 0.968 275 K HN 0.731 nan 8.250 nan 0.000 0.403 276 S N 0.028 115.374 115.700 -0.589 0.000 4.028 276 S HA 0.065 4.535 4.470 -0.000 0.000 0.098 276 S C -0.685 173.915 174.600 0.000 0.000 0.840 276 S CA -0.601 57.444 58.200 -0.258 0.000 1.167 276 S CB -0.422 62.667 63.200 -0.185 0.000 0.849 276 S HN 0.292 nan 8.310 nan 0.000 0.732 277 Y N 1.413 121.546 120.300 -0.279 0.000 2.328 277 Y HA 0.573 5.123 4.550 -0.000 0.000 0.337 277 Y C -0.121 175.491 175.900 -0.480 0.000 0.966 277 Y CA -1.381 56.447 58.100 -0.454 0.000 1.136 277 Y CB 1.911 39.981 38.460 -0.649 0.000 1.170 277 Y HN -0.006 nan 8.280 nan 0.000 0.470 278 V N 5.717 125.462 119.914 -0.281 0.000 2.304 278 V HA 0.173 4.292 4.120 -0.000 0.000 0.269 278 V C -0.246 175.674 176.094 -0.290 0.000 1.036 278 V CA -0.602 61.604 62.300 -0.157 0.000 0.840 278 V CB -0.354 31.436 31.823 -0.055 0.000 1.036 278 V HN 0.519 nan 8.190 nan 0.000 0.466 279 F N 3.228 123.204 119.950 0.043 0.000 2.418 279 F HA 0.445 4.972 4.527 0.000 0.000 0.341 279 F C 0.701 176.554 175.800 0.089 0.000 1.120 279 F CA -0.055 57.947 58.000 0.005 0.000 1.232 279 F CB 0.782 39.760 39.000 -0.036 0.000 1.175 279 F HN 0.332 nan 8.300 nan 0.000 0.569 280 c N 4.133 122.877 118.600 0.240 0.000 2.481 280 c HA 0.710 5.280 4.570 -0.000 0.000 0.324 280 c C -0.215 174.006 174.090 0.217 0.000 1.170 280 c CA -1.140 55.328 56.329 0.232 0.000 1.361 280 c CB 0.527 43.127 42.510 0.150 0.000 1.977 280 c HN 0.631 nan 8.230 nan 0.000 0.459 281 L N 2.319 123.696 121.223 0.256 0.000 2.271 281 L HA 0.614 4.954 4.340 -0.000 0.000 0.265 281 L C -2.455 174.513 176.870 0.163 0.000 1.013 281 L CA -2.317 52.610 54.840 0.144 0.000 0.820 281 L CB 0.601 42.636 42.059 -0.041 0.000 1.352 281 L HN 0.238 nan 8.230 nan 0.000 0.443 282 P HA -0.088 nan 4.420 nan 0.000 0.263 282 P C -0.100 177.278 177.300 0.131 0.000 1.168 282 P CA 0.472 63.619 63.100 0.078 0.000 0.759 282 P CB 0.374 32.064 31.700 -0.018 0.000 0.782 283 D N 4.402 124.880 120.400 0.129 0.000 2.315 283 D HA -0.203 4.437 4.640 -0.000 0.000 0.198 283 D C -0.777 175.616 176.300 0.154 0.000 1.010 283 D CA 1.867 55.950 54.000 0.139 0.000 0.911 283 D CB -1.023 39.849 40.800 0.119 0.000 0.897 283 D HN 0.438 nan 8.370 nan 0.000 0.455 284 P HA -0.060 nan 4.420 nan 0.000 0.230 284 P C 0.319 177.734 177.300 0.191 0.000 1.158 284 P CA 0.743 63.962 63.100 0.199 0.000 0.769 284 P CB 0.077 31.957 31.700 0.300 0.000 0.807 285 Y N -0.439 119.902 120.300 0.069 0.000 2.269 285 Y HA 0.393 4.943 4.550 -0.000 0.000 0.279 285 Y C 1.623 177.562 175.900 0.064 0.000 1.118 285 Y CA 1.824 59.961 58.100 0.062 0.000 1.145 285 Y CB -0.106 38.391 38.460 0.061 0.000 1.081 285 Y HN 0.043 nan 8.280 nan 0.000 0.501 286 G N -1.095 107.827 108.800 0.204 0.000 2.253 286 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.190 286 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.190 286 G C -1.569 173.454 174.900 0.205 0.000 1.274 286 G CA -0.456 44.689 45.100 0.075 0.000 1.275 286 G HN 0.484 nan 8.290 nan 0.000 0.518 287 c N 1.416 120.074 118.600 0.096 0.000 2.505 287 c HA 0.859 5.429 4.570 -0.000 0.000 0.342 287 c C 0.342 174.519 174.090 0.145 0.000 1.121 287 c CA 0.025 56.464 56.329 0.183 0.000 1.306 287 c CB 0.292 42.878 42.510 0.125 0.000 1.897 287 c HN 1.421 nan 8.230 nan 0.000 0.446 288 S N 1.466 117.333 115.700 0.279 0.000 2.667 288 S HA 0.792 5.262 4.470 -0.000 0.000 0.292 288 S C -0.216 174.571 174.600 0.312 0.000 1.126 288 S CA -0.516 57.827 58.200 0.238 0.000 0.881 288 S CB 0.807 64.164 63.200 0.261 0.000 1.132 288 S HN 0.759 nan 8.310 nan 0.000 0.492 289 c N 1.532 120.300 118.600 0.281 0.000 2.563 289 c HA 0.799 5.369 4.570 -0.000 0.000 0.358 289 c C 1.473 175.830 174.090 0.445 0.000 1.336 289 c CA -0.045 56.491 56.329 0.345 0.000 2.454 289 c CB -0.056 42.640 42.510 0.310 0.000 2.448 289 c HN 1.069 nan 8.230 nan 0.000 0.670 290 A N 0.806 123.954 122.820 0.546 0.000 2.351 290 A HA 0.453 4.773 4.320 -0.000 0.000 0.257 290 A C 0.504 178.371 177.584 0.472 0.000 1.087 290 A CA 0.129 52.433 52.037 0.445 0.000 0.798 290 A CB 0.000 19.265 19.000 0.441 0.000 1.033 290 A HN 0.956 nan 8.150 nan 0.000 0.488 291 T N 0.272 115.054 114.554 0.380 0.000 2.831 291 T HA 0.405 4.755 4.350 -0.000 0.000 0.291 291 T C 1.253 176.138 174.700 0.309 0.000 0.981 291 T CA 1.594 63.919 62.100 0.376 0.000 1.174 291 T CB -0.491 68.654 68.868 0.462 0.000 0.929 291 T HN 2.234 nan 8.240 nan 0.000 0.532 292 G N 3.948 112.790 108.800 0.071 0.000 2.318 292 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.172 292 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.172 292 G C -0.414 174.062 174.900 -0.706 0.000 1.002 292 G CA -0.369 44.445 45.100 -0.476 0.000 0.697 292 G HN 0.696 nan 8.290 nan 0.000 0.483 293 W N 1.030 122.389 121.300 0.099 0.000 2.957 293 W HA 0.723 5.383 4.660 -0.000 0.000 0.336 293 W C 0.003 176.566 176.519 0.074 0.000 1.087 293 W CA -1.066 56.331 57.345 0.088 0.000 1.235 293 W CB 1.436 30.967 29.460 0.118 0.000 1.399 293 W HN 0.146 nan 8.180 nan 0.000 0.480 294 K N 2.007 122.564 120.400 0.262 0.000 2.118 294 K HA 0.868 5.187 4.320 -0.000 0.000 0.254 294 K C 0.227 176.928 176.600 0.168 0.000 0.961 294 K CA -0.172 56.206 56.287 0.151 0.000 0.876 294 K CB 1.406 33.954 32.500 0.081 0.000 1.077 294 K HN 0.796 nan 8.250 nan 0.000 0.440 295 G N 1.399 110.266 108.800 0.112 0.000 2.359 295 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.314 295 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.314 295 G C -0.688 174.257 174.900 0.074 0.000 1.364 295 G CA -0.725 44.432 45.100 0.094 0.000 0.978 295 G HN 0.588 nan 8.290 nan 0.000 0.615 296 L N -0.397 120.862 121.223 0.059 0.000 2.638 296 L HA 0.300 4.640 4.340 -0.000 0.000 0.232 296 L C 1.734 178.631 176.870 0.044 0.000 1.099 296 L CA 0.423 55.295 54.840 0.052 0.000 0.883 296 L CB 0.106 42.194 42.059 0.049 0.000 1.136 296 L HN 0.557 nan 8.230 nan 0.000 0.492 297 Q N -1.606 118.217 119.800 0.039 0.000 2.140 297 Q HA 0.128 4.468 4.340 -0.000 0.000 0.227 297 Q C 0.738 176.739 176.000 0.002 0.000 0.798 297 Q CA 0.167 55.979 55.803 0.015 0.000 0.987 297 Q CB 1.060 29.803 28.738 0.008 0.000 1.161 297 Q HN 0.469 nan 8.270 nan 0.000 0.480 298 c N 2.925 121.553 118.600 0.046 0.000 4.331 298 c HA -0.159 4.411 4.570 -0.000 0.000 0.293 298 c C 1.657 175.755 174.090 0.013 0.000 1.436 298 c CA 0.891 57.265 56.329 0.075 0.000 1.993 298 c CB -2.753 39.775 42.510 0.030 0.000 1.266 298 c HN 0.654 nan 8.230 nan 0.000 0.795 299 N N 1.264 119.984 118.700 0.033 0.000 2.494 299 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 299 N C 0.400 176.022 175.510 0.186 0.000 1.076 299 N CA 0.818 53.879 53.050 0.019 0.000 0.908 299 N CB 0.259 38.756 38.487 0.017 0.000 0.967 299 N HN 0.925 nan 8.380 nan 0.000 0.449 300 E N 0.781 121.145 120.200 0.273 0.000 2.156 300 E HA 0.509 4.859 4.350 -0.000 0.000 0.279 300 E C -0.458 176.394 176.600 0.420 0.000 0.965 300 E CA -0.753 55.830 56.400 0.305 0.000 0.789 300 E CB 1.528 31.339 29.700 0.184 0.000 1.098 300 E HN 0.226 nan 8.360 nan 0.000 0.397 301 A N 3.380 126.373 122.820 0.288 0.000 2.267 301 A HA 0.299 4.619 4.320 -0.000 0.000 0.276 301 A C -0.427 177.112 177.584 -0.075 0.000 1.336 301 A CA -0.462 51.505 52.037 -0.117 0.000 0.815 301 A CB 0.363 19.204 19.000 -0.264 0.000 1.256 301 A HN 0.789 nan 8.150 nan 0.000 0.512 302 c N -0.904 117.582 118.600 -0.189 0.000 2.351 302 c HA 0.584 5.154 4.570 -0.000 0.000 0.326 302 c C -0.043 174.061 174.090 0.024 0.000 1.272 302 c CA -0.551 55.752 56.329 -0.043 0.000 1.650 302 c CB -0.316 42.144 42.510 -0.083 0.000 2.257 302 c HN 0.843 nan 8.230 nan 0.000 0.505 303 H N 1.983 121.003 119.070 -0.084 0.000 3.073 303 H HA 0.126 4.682 4.556 -0.000 0.000 0.340 303 H C -2.132 173.226 175.328 0.049 0.000 1.054 303 H CA 0.021 56.046 56.048 -0.038 0.000 1.372 303 H CB -0.205 29.505 29.762 -0.087 0.000 1.314 303 H HN 0.425 nan 8.280 nan 0.000 0.603 304 P HA 0.106 nan 4.420 nan 0.000 0.268 304 P C 0.841 178.279 177.300 0.230 0.000 1.204 304 P CA 1.187 64.368 63.100 0.136 0.000 0.768 304 P CB 0.916 32.658 31.700 0.071 0.000 0.842 305 G N 1.030 109.934 108.800 0.174 0.000 2.278 305 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.210 305 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.210 305 G C -0.102 174.791 174.900 -0.011 0.000 1.000 305 G CA -0.536 44.616 45.100 0.087 0.000 0.635 305 G HN 0.391 nan 8.290 nan 0.000 0.495 306 F N -0.630 119.354 119.950 0.057 0.000 2.518 306 F HA 0.758 5.285 4.527 0.000 0.000 0.338 306 F C 1.022 176.895 175.800 0.121 0.000 1.065 306 F CA 0.021 58.049 58.000 0.046 0.000 1.012 306 F CB 1.216 40.202 39.000 -0.025 0.000 1.297 306 F HN 0.230 nan 8.300 nan 0.000 0.489 307 Y N -2.066 118.322 120.300 0.147 0.000 2.508 307 Y HA 0.451 5.001 4.550 -0.000 0.000 0.292 307 Y C 0.899 176.860 175.900 0.101 0.000 1.038 307 Y CA -0.193 57.943 58.100 0.059 0.000 0.969 307 Y CB -0.750 37.737 38.460 0.045 0.000 1.388 307 Y HN 0.538 nan 8.280 nan 0.000 0.570 308 G N 3.274 111.871 108.800 -0.340 0.000 2.394 308 G HA2 0.283 4.243 3.960 -0.000 0.000 0.256 308 G HA3 0.283 4.243 3.960 -0.000 0.000 0.256 308 G C -2.367 172.626 174.900 0.154 0.000 1.504 308 G CA -0.593 44.493 45.100 -0.024 0.000 1.051 308 G HN 0.200 nan 8.290 nan 0.000 0.550 309 P HA 0.218 nan 4.420 nan 0.000 0.286 309 P C -1.003 176.382 177.300 0.142 0.000 1.269 309 P CA 0.008 63.247 63.100 0.231 0.000 0.787 309 P CB 1.223 33.099 31.700 0.292 0.000 0.920 310 D N 1.089 121.582 120.400 0.154 0.000 3.012 310 D HA -0.162 4.478 4.640 -0.000 0.000 0.222 310 D C -0.188 176.135 176.300 0.039 0.000 1.167 310 D CA 0.541 54.600 54.000 0.098 0.000 0.854 310 D CB -2.269 38.572 40.800 0.069 0.000 1.107 310 D HN 0.516 nan 8.370 nan 0.000 0.421 311 c N -0.051 118.576 118.600 0.045 0.000 3.860 311 c HA -0.235 4.334 4.570 -0.000 0.000 0.292 311 c C 1.711 175.818 174.090 0.029 0.000 1.445 311 c CA 1.167 57.509 56.329 0.022 0.000 2.040 311 c CB -1.942 40.580 42.510 0.022 0.000 1.314 311 c HN 0.454 nan 8.230 nan 0.000 0.678 312 K N -0.349 120.045 120.400 -0.011 0.000 2.525 312 K HA 0.138 4.458 4.320 -0.000 0.000 0.192 312 K C 0.439 177.023 176.600 -0.028 0.000 1.029 312 K CA 0.590 56.877 56.287 -0.001 0.000 1.029 312 K CB 0.148 32.631 32.500 -0.029 0.000 0.814 312 K HN 0.622 nan 8.250 nan 0.000 0.503 313 L N 1.478 122.606 121.223 -0.160 0.000 2.272 313 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 313 L C -0.007 176.670 176.870 -0.322 0.000 1.032 313 L CA -0.741 53.860 54.840 -0.398 0.000 0.810 313 L CB 1.263 42.684 42.059 -1.062 0.000 1.205 313 L HN -0.055 nan 8.230 nan 0.000 0.422 314 R N 2.078 122.411 120.500 -0.279 0.000 2.207 314 R HA 0.314 4.653 4.340 -0.000 0.000 0.334 314 R C -0.733 175.470 176.300 -0.161 0.000 1.013 314 R CA -0.528 55.296 56.100 -0.460 0.000 0.858 314 R CB 0.823 30.796 30.300 -0.544 0.000 1.094 314 R HN 0.663 nan 8.270 nan 0.000 0.457 315 c N 3.181 121.753 118.600 -0.046 0.000 2.693 315 c HA 0.007 4.577 4.570 -0.000 0.000 0.393 315 c C 1.070 175.137 174.090 -0.039 0.000 1.348 315 c CA 0.366 56.734 56.329 0.066 0.000 1.508 315 c CB -0.779 41.753 42.510 0.036 0.000 2.295 315 c HN 0.720 nan 8.230 nan 0.000 0.605 316 S N 2.128 117.820 115.700 -0.012 0.000 2.704 316 S HA 0.114 4.584 4.470 -0.000 0.000 0.241 316 S C 0.451 175.037 174.600 -0.025 0.000 1.264 316 S CA -0.478 57.702 58.200 -0.034 0.000 1.236 316 S CB -0.392 62.792 63.200 -0.026 0.000 0.928 316 S HN 0.892 nan 8.310 nan 0.000 0.492 317 c N 2.580 121.159 118.600 -0.034 0.000 2.638 317 c HA 0.089 4.658 4.570 -0.000 0.000 0.410 317 c C 1.871 175.929 174.090 -0.053 0.000 1.404 317 c CA -0.629 55.673 56.329 -0.045 0.000 1.651 317 c CB -1.593 40.881 42.510 -0.060 0.000 2.495 317 c HN 0.724 nan 8.230 nan 0.000 0.606 318 N N 2.601 121.269 118.700 -0.054 0.000 2.006 318 N HA -0.136 4.604 4.740 -0.000 0.000 0.196 318 N C 0.814 176.266 175.510 -0.096 0.000 1.070 318 N CA 1.139 54.150 53.050 -0.066 0.000 0.859 318 N CB -0.120 38.331 38.487 -0.060 0.000 1.060 318 N HN 0.697 nan 8.380 nan 0.000 0.424 319 N N 1.003 119.612 118.700 -0.151 0.000 2.441 319 N HA 0.064 4.804 4.740 -0.000 0.000 0.225 319 N C 0.044 175.475 175.510 -0.132 0.000 1.208 319 N CA 0.327 53.275 53.050 -0.171 0.000 0.847 319 N CB 0.111 38.427 38.487 -0.285 0.000 1.121 319 N HN 0.398 nan 8.380 nan 0.000 0.479 320 G N 1.194 109.935 108.800 -0.098 0.000 2.374 320 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.289 320 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.289 320 G C -0.381 174.472 174.900 -0.078 0.000 1.004 320 G CA 0.041 45.095 45.100 -0.077 0.000 1.292 320 G HN 0.363 nan 8.290 nan 0.000 0.502 321 E N 0.017 120.169 120.200 -0.080 0.000 2.232 321 E HA 0.649 4.999 4.350 -0.000 0.000 0.265 321 E C 1.140 177.705 176.600 -0.058 0.000 1.001 321 E CA -0.961 55.395 56.400 -0.074 0.000 0.870 321 E CB 0.603 30.253 29.700 -0.083 0.000 1.175 321 E HN 0.441 nan 8.360 nan 0.000 0.407 322 M N 0.980 120.550 119.600 -0.049 0.000 2.248 322 M HA -0.045 4.435 4.480 -0.000 0.000 0.343 322 M C -0.406 175.864 176.300 -0.050 0.000 1.243 322 M CA 0.382 55.659 55.300 -0.039 0.000 1.025 322 M CB 0.193 32.776 32.600 -0.028 0.000 1.759 322 M HN 0.449 nan 8.290 nan 0.000 0.452 323 c N 5.805 124.380 118.600 -0.042 0.000 2.264 323 c HA 0.310 4.880 4.570 -0.000 0.000 0.322 323 c C -0.211 173.854 174.090 -0.042 0.000 1.210 323 c CA -0.772 55.525 56.329 -0.055 0.000 1.539 323 c CB -0.192 42.306 42.510 -0.019 0.000 2.167 323 c HN 0.822 nan 8.230 nan 0.000 0.463 324 D N 4.810 125.174 120.400 -0.060 0.000 2.249 324 D HA 0.141 4.781 4.640 -0.000 0.000 0.246 324 D C 1.019 177.284 176.300 -0.058 0.000 1.114 324 D CA -0.440 53.548 54.000 -0.020 0.000 0.854 324 D CB 0.975 41.804 40.800 0.048 0.000 1.132 324 D HN 0.799 nan 8.370 nan 0.000 0.461 325 R N 2.702 123.069 120.500 -0.221 0.000 2.416 325 R HA -0.019 4.321 4.340 -0.000 0.000 0.205 325 R C 0.126 176.026 176.300 -0.666 0.000 1.150 325 R CA 0.891 56.728 56.100 -0.439 0.000 1.139 325 R CB -0.444 29.435 30.300 -0.702 0.000 0.861 325 R HN 0.364 nan 8.270 nan 0.000 0.480 326 F N -1.135 118.830 119.950 0.024 0.000 2.557 326 F HA 0.191 4.718 4.527 -0.000 0.000 0.300 326 F C 2.126 177.953 175.800 0.044 0.000 0.867 326 F CA -0.389 57.612 58.000 0.002 0.000 1.085 326 F CB 0.229 39.142 39.000 -0.146 0.000 0.907 326 F HN -0.142 nan 8.300 nan 0.000 0.700 327 Q N 0.523 120.440 119.800 0.195 0.000 2.349 327 Q HA 0.467 4.806 4.340 -0.000 0.000 0.209 327 Q C 1.305 177.282 176.000 -0.039 0.000 0.920 327 Q CA 0.785 56.653 55.803 0.108 0.000 0.901 327 Q CB 1.282 30.036 28.738 0.026 0.000 1.021 327 Q HN 0.498 nan 8.270 nan 0.000 0.519 328 G N 0.499 109.095 108.800 -0.341 0.000 2.436 328 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.205 328 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.205 328 G C -0.826 173.816 174.900 -0.430 0.000 1.188 328 G CA -0.418 44.118 45.100 -0.940 0.000 1.267 328 G HN 0.287 nan 8.290 nan 0.000 0.536 329 c N 1.021 119.436 118.600 -0.307 0.000 2.365 329 c HA 0.750 5.320 4.570 -0.000 0.000 0.351 329 c C 0.837 174.872 174.090 -0.091 0.000 1.240 329 c CA -0.273 55.965 56.329 -0.153 0.000 2.062 329 c CB 0.174 42.619 42.510 -0.108 0.000 2.387 329 c HN 0.555 nan 8.230 nan 0.000 0.537 330 L N 2.744 123.929 121.223 -0.063 0.000 2.603 330 L HA 0.255 4.595 4.340 -0.000 0.000 0.242 330 L C 0.087 176.938 176.870 -0.031 0.000 1.169 330 L CA -0.140 54.678 54.840 -0.035 0.000 1.029 330 L CB -0.408 41.634 42.059 -0.028 0.000 1.361 330 L HN 0.810 nan 8.230 nan 0.000 0.439 331 c N -0.165 118.423 118.600 -0.020 0.000 2.746 331 c HA 0.094 4.664 4.570 -0.000 0.000 0.403 331 c C 1.599 175.681 174.090 -0.012 0.000 1.270 331 c CA -0.363 55.953 56.329 -0.022 0.000 1.978 331 c CB 0.471 42.996 42.510 0.026 0.000 2.724 331 c HN 0.778 nan 8.230 nan 0.000 0.678 332 S N 3.121 118.794 115.700 -0.046 0.000 2.579 332 S HA 0.278 4.748 4.470 -0.000 0.000 0.275 332 S C -2.018 172.613 174.600 0.053 0.000 1.345 332 S CA -0.697 57.487 58.200 -0.025 0.000 1.031 332 S CB 0.250 63.398 63.200 -0.086 0.000 0.892 332 S HN 0.736 nan 8.310 nan 0.000 0.529 333 P HA 0.276 nan 4.420 nan 0.000 0.268 333 P C 0.766 178.164 177.300 0.164 0.000 1.204 333 P CA 0.624 63.776 63.100 0.085 0.000 0.768 333 P CB 0.547 32.276 31.700 0.049 0.000 0.842 334 G N 1.363 110.267 108.800 0.173 0.000 2.316 334 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.203 334 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.203 334 G C -0.946 174.062 174.900 0.180 0.000 0.999 334 G CA -0.636 44.575 45.100 0.185 0.000 0.649 334 G HN 0.442 nan 8.290 nan 0.000 0.489 335 W N 0.949 122.233 121.300 -0.026 0.000 2.915 335 W HA 0.826 5.486 4.660 -0.000 0.000 0.337 335 W C -0.021 176.488 176.519 -0.017 0.000 1.102 335 W CA -0.647 56.685 57.345 -0.021 0.000 1.224 335 W CB 1.564 31.013 29.460 -0.018 0.000 1.416 335 W HN 0.242 nan 8.180 nan 0.000 0.503 336 Q N 1.149 121.076 119.800 0.212 0.000 2.892 336 Q HA 0.917 5.257 4.340 -0.000 0.000 0.307 336 Q C -0.161 175.916 176.000 0.129 0.000 1.039 336 Q CA -1.059 54.823 55.803 0.132 0.000 0.792 336 Q CB 2.245 31.031 28.738 0.080 0.000 1.504 336 Q HN 0.774 nan 8.270 nan 0.000 0.487 337 G N -0.667 108.189 108.800 0.092 0.000 2.402 337 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.666 337 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.666 337 G C -0.511 174.426 174.900 0.062 0.000 1.402 337 G CA -0.504 44.645 45.100 0.083 0.000 0.920 337 G HN 0.589 nan 8.290 nan 0.000 0.651 338 L N 0.007 121.265 121.223 0.058 0.000 2.089 338 L HA -0.064 4.276 4.340 -0.000 0.000 0.213 338 L C 2.259 179.148 176.870 0.031 0.000 1.079 338 L CA 2.974 57.843 54.840 0.048 0.000 0.758 338 L CB -0.017 42.077 42.059 0.058 0.000 0.891 338 L HN 0.723 nan 8.230 nan 0.000 0.433 339 Q N -2.793 117.031 119.800 0.039 0.000 2.139 339 Q HA 0.184 4.524 4.340 -0.000 0.000 0.219 339 Q C 0.595 176.615 176.000 0.033 0.000 0.805 339 Q CA 0.456 56.274 55.803 0.024 0.000 1.024 339 Q CB 0.685 29.439 28.738 0.028 0.000 1.163 339 Q HN 0.488 nan 8.270 nan 0.000 0.485 340 c N 1.307 119.947 118.600 0.066 0.000 4.465 340 c HA -0.135 4.435 4.570 -0.000 0.000 0.274 340 c C 0.552 174.771 174.090 0.216 0.000 1.337 340 c CA 0.912 57.314 56.329 0.121 0.000 1.822 340 c CB -2.347 40.179 42.510 0.026 0.000 1.357 340 c HN 0.646 nan 8.230 nan 0.000 0.753 341 E N 1.027 121.327 120.200 0.166 0.000 2.424 341 E HA 0.320 4.670 4.350 -0.000 0.000 0.237 341 E C 0.321 177.038 176.600 0.195 0.000 1.381 341 E CA 0.334 56.847 56.400 0.190 0.000 1.587 341 E CB -0.072 29.692 29.700 0.108 0.000 1.398 341 E HN 0.745 nan 8.360 nan 0.000 0.439 342 R N 0.479 121.131 120.500 0.253 0.000 2.736 342 R HA 0.156 4.496 4.340 -0.000 0.000 0.250 342 R C -1.457 174.793 176.300 -0.082 0.000 1.098 342 R CA -0.389 55.745 56.100 0.057 0.000 0.978 342 R CB 1.119 31.443 30.300 0.039 0.000 1.263 342 R HN 0.201 nan 8.270 nan 0.000 0.460 343 E N 1.427 121.373 120.200 -0.422 0.000 2.227 343 E HA 0.757 5.107 4.350 -0.000 0.000 0.268 343 E C -0.201 176.197 176.600 -0.336 0.000 0.990 343 E CA -0.767 55.248 56.400 -0.642 0.000 0.856 343 E CB 2.090 31.130 29.700 -1.100 0.000 1.159 343 E HN 0.832 nan 8.360 nan 0.000 0.401 344 G N 0.545 109.175 108.800 -0.283 0.000 2.350 344 G HA2 0.215 4.175 3.960 -0.000 0.000 0.304 344 G HA3 0.215 4.175 3.960 -0.000 0.000 0.304 344 G C -1.291 173.475 174.900 -0.224 0.000 1.421 344 G CA -1.110 43.857 45.100 -0.223 0.000 0.934 344 G HN 0.403 nan 8.290 nan 0.000 0.632 345 I N -0.287 120.095 120.570 -0.314 0.000 2.664 345 I HA 0.374 4.544 4.170 -0.000 0.000 0.284 345 I C -2.051 173.877 176.117 -0.316 0.000 1.154 345 I CA -2.197 58.873 61.300 -0.383 0.000 1.402 345 I CB -0.610 36.995 38.000 -0.658 0.000 1.395 345 I HN 0.162 nan 8.210 nan 0.000 0.545 346 P HA 0.040 nan 4.420 nan 0.000 0.261 346 P C -0.608 176.671 177.300 -0.035 0.000 1.173 346 P CA 0.038 63.095 63.100 -0.073 0.000 0.760 346 P CB 0.291 31.969 31.700 -0.038 0.000 0.783 347 R N 3.986 124.526 120.500 0.066 0.000 2.390 347 R HA 0.551 4.891 4.340 -0.000 0.000 0.291 347 R C 0.169 176.560 176.300 0.152 0.000 1.070 347 R CA -0.587 55.626 56.100 0.188 0.000 1.014 347 R CB 0.242 30.672 30.300 0.218 0.000 1.007 347 R HN 0.457 nan 8.270 nan 0.000 0.466 348 M N 0.153 119.869 119.600 0.194 0.000 2.311 348 M HA 0.321 4.801 4.480 -0.000 0.000 0.325 348 M C -0.028 176.356 176.300 0.140 0.000 1.061 348 M CA -0.884 54.503 55.300 0.145 0.000 0.957 348 M CB 2.083 34.771 32.600 0.145 0.000 1.646 348 M HN 0.689 nan 8.290 nan 0.000 0.434 349 T N 2.004 116.621 114.554 0.106 0.000 2.791 349 T HA 0.361 4.710 4.350 -0.000 0.000 0.323 349 T C -2.170 172.587 174.700 0.096 0.000 1.082 349 T CA -0.727 61.428 62.100 0.092 0.000 1.084 349 T CB 0.239 69.150 68.868 0.071 0.000 0.992 349 T HN 0.720 nan 8.240 nan 0.000 0.547 350 P HA 0.403 nan 4.420 nan 0.000 0.276 350 P C -1.367 175.983 177.300 0.082 0.000 1.261 350 P CA -0.596 62.559 63.100 0.091 0.000 0.800 350 P CB 0.601 32.349 31.700 0.079 0.000 1.066 351 K N 1.065 121.518 120.400 0.088 0.000 2.535 351 K HA 0.483 4.803 4.320 -0.000 0.000 0.250 351 K C -0.562 176.062 176.600 0.039 0.000 0.948 351 K CA -0.654 55.669 56.287 0.060 0.000 0.796 351 K CB 1.855 34.393 32.500 0.062 0.000 1.216 351 K HN 0.343 nan 8.250 nan 0.000 0.432 352 I N 3.936 124.519 120.570 0.023 0.000 2.278 352 I HA 0.055 4.225 4.170 -0.000 0.000 0.296 352 I C 0.389 176.476 176.117 -0.051 0.000 1.121 352 I CA -0.753 60.548 61.300 0.002 0.000 1.267 352 I CB 0.232 38.248 38.000 0.027 0.000 1.447 352 I HN 0.300 nan 8.210 nan 0.000 0.509 353 V N 2.141 121.983 119.914 -0.121 0.000 2.837 353 V HA 0.464 4.584 4.120 -0.000 0.000 0.310 353 V C 0.266 176.231 176.094 -0.214 0.000 1.059 353 V CA -0.746 61.440 62.300 -0.191 0.000 1.004 353 V CB 1.448 33.072 31.823 -0.332 0.000 1.045 353 V HN 0.772 nan 8.190 nan 0.000 0.465 354 D N 0.778 121.068 120.400 -0.182 0.000 3.133 354 D HA -0.150 4.490 4.640 -0.000 0.000 0.239 354 D C -1.034 175.175 176.300 -0.152 0.000 1.136 354 D CA 0.910 54.812 54.000 -0.163 0.000 0.898 354 D CB -0.388 40.291 40.800 -0.201 0.000 0.959 354 D HN 0.685 nan 8.370 nan 0.000 0.415 355 L N 1.988 123.132 121.223 -0.131 0.000 2.441 355 L HA 0.490 4.830 4.340 -0.000 0.000 0.270 355 L C -2.281 174.517 176.870 -0.119 0.000 0.973 355 L CA -1.248 53.488 54.840 -0.173 0.000 0.842 355 L CB 1.709 43.651 42.059 -0.196 0.000 1.239 355 L HN -0.175 nan 8.230 nan 0.000 0.406 356 P HA 0.260 nan 4.420 nan 0.000 0.271 356 P C -0.521 176.804 177.300 0.041 0.000 1.233 356 P CA -0.151 62.941 63.100 -0.013 0.000 0.789 356 P CB 0.704 32.406 31.700 0.003 0.000 0.951 357 D N -1.623 118.843 120.400 0.110 0.000 2.355 357 D HA 0.038 4.678 4.640 -0.000 0.000 0.206 357 D C 0.346 176.596 176.300 -0.083 0.000 1.010 357 D CA 1.068 55.089 54.000 0.034 0.000 0.875 357 D CB -0.009 40.779 40.800 -0.019 0.000 0.966 357 D HN 0.478 nan 8.370 nan 0.000 0.512 358 H N -1.299 117.833 119.070 0.103 0.000 2.896 358 H HA 0.468 5.024 4.556 -0.000 0.000 0.318 358 H C 0.814 176.205 175.328 0.104 0.000 1.409 358 H CA -0.724 55.382 56.048 0.096 0.000 1.328 358 H CB 1.925 31.718 29.762 0.050 0.000 1.940 358 H HN -0.304 nan 8.280 nan 0.000 0.665 359 I N -1.107 119.591 120.570 0.213 0.000 3.639 359 I HA 0.048 4.218 4.170 -0.000 0.000 0.265 359 I C -0.591 175.555 176.117 0.049 0.000 1.087 359 I CA 0.164 61.541 61.300 0.127 0.000 1.427 359 I CB -0.292 37.788 38.000 0.135 0.000 1.824 359 I HN 0.713 nan 8.210 nan 0.000 0.391 360 E N 1.323 121.526 120.200 0.004 0.000 4.675 360 E HA -0.132 4.218 4.350 -0.000 0.000 0.163 360 E C -0.749 175.802 176.600 -0.081 0.000 1.720 360 E CA 0.189 56.569 56.400 -0.035 0.000 1.052 360 E CB -0.507 29.188 29.700 -0.008 0.000 1.047 360 E HN 0.171 nan 8.360 nan 0.000 0.344 361 V N 2.565 122.376 119.914 -0.171 0.000 3.074 361 V HA 0.563 4.683 4.120 -0.000 0.000 0.314 361 V C -0.779 175.198 176.094 -0.195 0.000 1.117 361 V CA -0.872 61.291 62.300 -0.229 0.000 1.014 361 V CB 2.216 33.713 31.823 -0.544 0.000 1.057 361 V HN 0.545 nan 8.190 nan 0.000 0.438 362 N N 2.233 120.846 118.700 -0.146 0.000 2.473 362 N HA 0.306 5.046 4.740 -0.000 0.000 0.291 362 N C -0.412 175.034 175.510 -0.108 0.000 1.083 362 N CA -0.251 52.739 53.050 -0.100 0.000 0.951 362 N CB 1.563 40.020 38.487 -0.051 0.000 1.164 362 N HN 0.793 nan 8.380 nan 0.000 0.480 363 S N -0.002 115.649 115.700 -0.082 0.000 2.998 363 S HA 0.349 4.819 4.470 -0.000 0.000 0.348 363 S C 0.823 175.404 174.600 -0.032 0.000 1.210 363 S CA -0.224 57.939 58.200 -0.062 0.000 1.118 363 S CB -0.413 62.767 63.200 -0.033 0.000 0.832 363 S HN 0.851 nan 8.310 nan 0.000 0.516 364 G N 2.270 111.056 108.800 -0.023 0.000 2.323 364 G HA2 0.390 4.350 3.960 -0.000 0.000 0.291 364 G HA3 0.390 4.350 3.960 -0.000 0.000 0.291 364 G C -1.819 173.125 174.900 0.073 0.000 1.278 364 G CA -1.318 43.797 45.100 0.025 0.000 0.860 364 G HN 0.580 nan 8.290 nan 0.000 0.504 365 K N -0.441 120.016 120.400 0.095 0.000 2.484 365 K HA 0.505 4.824 4.320 -0.000 0.000 0.280 365 K C -0.892 175.844 176.600 0.225 0.000 1.013 365 K CA 0.385 56.749 56.287 0.128 0.000 1.029 365 K CB 0.328 32.887 32.500 0.099 0.000 0.902 365 K HN 0.397 nan 8.250 nan 0.000 0.481 366 F N 2.175 122.126 119.950 0.001 0.000 2.569 366 F HA 0.383 4.910 4.527 -0.000 0.000 0.312 366 F C -1.071 174.744 175.800 0.026 0.000 1.109 366 F CA -1.258 56.736 58.000 -0.010 0.000 0.919 366 F CB 1.706 40.672 39.000 -0.056 0.000 1.211 366 F HN 0.494 nan 8.300 nan 0.000 0.446 367 N N 6.437 124.765 118.700 -0.620 0.000 2.841 367 N HA 0.278 5.017 4.740 -0.000 0.000 0.257 367 N C -2.876 172.312 175.510 -0.536 0.000 1.396 367 N CA -1.110 51.685 53.050 -0.425 0.000 0.823 367 N CB 1.389 39.775 38.487 -0.169 0.000 1.162 367 N HN 0.241 nan 8.380 nan 0.000 0.503 368 P HA 0.258 nan 4.420 nan 0.000 0.270 368 P C -0.107 177.253 177.300 0.101 0.000 1.223 368 P CA 0.104 63.015 63.100 -0.315 0.000 0.785 368 P CB 1.080 32.651 31.700 -0.215 0.000 0.923 369 I N 0.285 120.898 120.570 0.071 0.000 2.656 369 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 369 I C -0.941 175.251 176.117 0.125 0.000 1.144 369 I CA -0.650 60.735 61.300 0.141 0.000 1.038 369 I CB 2.099 40.095 38.000 -0.007 0.000 1.244 369 I HN 0.215 nan 8.210 nan 0.000 0.420 370 c N 4.274 123.018 118.600 0.241 0.000 2.379 370 c HA 0.514 5.083 4.570 -0.000 0.000 0.323 370 c C -0.016 174.116 174.090 0.070 0.000 1.262 370 c CA -0.759 55.664 56.329 0.157 0.000 1.581 370 c CB 1.263 43.949 42.510 0.293 0.000 2.221 370 c HN 0.687 nan 8.230 nan 0.000 0.497 371 K N 2.215 122.609 120.400 -0.011 0.000 2.358 371 K HA 0.760 5.080 4.320 -0.000 0.000 0.260 371 K C -0.927 175.647 176.600 -0.044 0.000 0.956 371 K CA -0.042 56.216 56.287 -0.048 0.000 0.834 371 K CB 1.191 33.617 32.500 -0.124 0.000 1.102 371 K HN 0.888 nan 8.250 nan 0.000 0.431 372 A N 2.524 125.368 122.820 0.041 0.000 2.449 372 A HA 0.520 4.840 4.320 -0.000 0.000 0.302 372 A C -0.294 177.433 177.584 0.239 0.000 1.048 372 A CA -0.733 51.355 52.037 0.085 0.000 0.708 372 A CB 1.414 20.468 19.000 0.089 0.000 1.274 372 A HN 0.852 nan 8.150 nan 0.000 0.410 373 S N 1.103 116.991 115.700 0.312 0.000 2.477 373 S HA 0.838 5.308 4.470 -0.000 0.000 0.261 373 S C 0.678 175.400 174.600 0.204 0.000 1.197 373 S CA 0.113 58.579 58.200 0.443 0.000 1.015 373 S CB 0.239 63.741 63.200 0.504 0.000 1.077 373 S HN 2.745 nan 8.310 nan 0.000 0.505 374 G N -1.200 107.710 108.800 0.183 0.000 2.911 374 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 374 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 374 G C -0.530 174.433 174.900 0.106 0.000 1.136 374 G CA -0.110 45.074 45.100 0.139 0.000 0.764 374 G HN 0.978 nan 8.290 nan 0.000 0.626 375 W N 3.256 124.581 121.300 0.041 0.000 2.453 375 W HA 0.205 4.865 4.660 -0.000 0.000 0.289 375 W C -0.709 175.822 176.519 0.022 0.000 1.215 375 W CA 1.734 59.089 57.345 0.016 0.000 1.297 375 W CB -0.197 29.270 29.460 0.011 0.000 1.113 375 W HN 0.517 nan 8.180 nan 0.000 0.551 376 P HA -0.013 nan 4.420 nan 0.000 0.251 376 P C -0.419 176.745 177.300 -0.226 0.000 1.251 376 P CA 0.542 63.553 63.100 -0.149 0.000 0.763 376 P CB -0.482 31.249 31.700 0.051 0.000 1.067 377 L N 0.256 121.334 121.223 -0.242 0.000 4.551 377 L HA -0.187 4.153 4.340 -0.000 0.000 0.576 377 L C -1.559 175.266 176.870 -0.075 0.000 0.999 377 L CA -0.558 54.179 54.840 -0.171 0.000 0.604 377 L CB -0.814 41.096 42.059 -0.248 0.000 0.424 377 L HN 0.131 nan 8.230 nan 0.000 1.115 378 P HA 0.164 nan 4.420 nan 0.000 0.271 378 P C -0.390 176.977 177.300 0.112 0.000 1.233 378 P CA -0.257 62.868 63.100 0.043 0.000 0.789 378 P CB 0.940 32.688 31.700 0.080 0.000 0.951 379 T N -3.285 111.288 114.554 0.031 0.000 2.906 379 T HA 0.276 4.626 4.350 -0.000 0.000 0.295 379 T C 1.058 175.442 174.700 -0.526 0.000 1.061 379 T CA -0.760 61.251 62.100 -0.149 0.000 1.000 379 T CB 0.702 69.492 68.868 -0.130 0.000 1.103 379 T HN 0.462 nan 8.240 nan 0.000 0.486 380 N N 0.520 118.368 118.700 -1.421 0.000 2.417 380 N HA -0.241 4.498 4.740 -0.000 0.000 0.187 380 N C 1.456 176.694 175.510 -0.453 0.000 1.027 380 N CA 1.228 53.682 53.050 -0.992 0.000 0.891 380 N CB -0.079 37.728 38.487 -1.133 0.000 0.956 380 N HN 0.806 nan 8.380 nan 0.000 0.442 381 E N 0.982 120.962 120.200 -0.367 0.000 2.047 381 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 381 E C 0.908 177.413 176.600 -0.159 0.000 0.987 381 E CA 0.990 57.248 56.400 -0.237 0.000 0.799 381 E CB -0.016 29.585 29.700 -0.165 0.000 0.752 381 E HN 0.604 nan 8.360 nan 0.000 0.449 382 E N -0.193 119.933 120.200 -0.124 0.000 2.445 382 E HA 0.114 4.464 4.350 -0.000 0.000 0.189 382 E C -0.255 176.353 176.600 0.013 0.000 1.069 382 E CA -0.030 56.344 56.400 -0.043 0.000 0.871 382 E CB 0.348 30.033 29.700 -0.024 0.000 0.991 382 E HN 0.230 nan 8.360 nan 0.000 0.481 383 M N 0.757 120.368 119.600 0.019 0.000 2.263 383 M HA 0.271 4.751 4.480 -0.000 0.000 0.295 383 M C -0.554 175.913 176.300 0.277 0.000 1.028 383 M CA -0.463 54.923 55.300 0.143 0.000 0.921 383 M CB 2.314 35.015 32.600 0.168 0.000 1.601 383 M HN -0.080 nan 8.290 nan 0.000 0.440 384 T N 0.379 115.141 114.554 0.348 0.000 2.838 384 T HA 0.797 5.147 4.350 -0.000 0.000 0.292 384 T C -1.148 173.711 174.700 0.265 0.000 1.113 384 T CA -0.985 61.372 62.100 0.428 0.000 1.008 384 T CB 2.071 71.091 68.868 0.253 0.000 1.259 384 T HN 0.692 nan 8.240 nan 0.000 0.520 385 L N 1.865 123.070 121.223 -0.030 0.000 2.438 385 L HA 0.655 4.995 4.340 -0.000 0.000 0.270 385 L C -1.189 175.603 176.870 -0.130 0.000 0.972 385 L CA -1.149 53.507 54.840 -0.307 0.000 0.831 385 L CB 1.843 43.175 42.059 -1.211 0.000 1.273 385 L HN 0.834 nan 8.230 nan 0.000 0.405 386 V N 1.738 121.607 119.914 -0.076 0.000 2.347 386 V HA 0.486 4.606 4.120 -0.000 0.000 0.280 386 V C 0.084 175.942 176.094 -0.394 0.000 1.021 386 V CA -0.948 61.248 62.300 -0.173 0.000 0.847 386 V CB 1.091 32.839 31.823 -0.124 0.000 0.990 386 V HN 0.712 nan 8.190 nan 0.000 0.444 387 K N 4.581 124.599 120.400 -0.637 0.000 2.336 387 K HA 0.234 4.554 4.320 -0.000 0.000 0.262 387 K C -1.674 174.483 176.600 -0.739 0.000 0.992 387 K CA -0.993 54.570 56.287 -1.206 0.000 0.927 387 K CB 0.604 32.563 32.500 -0.902 0.000 0.956 387 K HN 0.401 nan 8.250 nan 0.000 0.495 388 P HA -0.221 nan 4.420 nan 0.000 0.215 388 P C 0.296 177.532 177.300 -0.106 0.000 1.157 388 P CA 1.613 64.524 63.100 -0.315 0.000 0.868 388 P CB 0.032 31.618 31.700 -0.190 0.000 0.788 389 D N -2.049 118.333 120.400 -0.031 0.000 2.309 389 D HA -0.012 4.628 4.640 -0.000 0.000 0.212 389 D C 1.367 177.664 176.300 -0.005 0.000 0.968 389 D CA 1.317 55.390 54.000 0.121 0.000 0.882 389 D CB -0.920 39.905 40.800 0.041 0.000 0.918 389 D HN 0.290 nan 8.370 nan 0.000 0.503 390 G N -1.444 107.286 108.800 -0.117 0.000 2.192 390 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.193 390 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.193 390 G C 0.275 175.097 174.900 -0.129 0.000 0.999 390 G CA -0.036 45.000 45.100 -0.106 0.000 0.659 390 G HN 0.384 nan 8.290 nan 0.000 0.503 391 T N 1.620 116.080 114.554 -0.156 0.000 2.916 391 T HA 0.470 4.819 4.350 -0.000 0.000 0.303 391 T C 0.877 175.482 174.700 -0.158 0.000 1.025 391 T CA 0.499 62.518 62.100 -0.135 0.000 1.142 391 T CB 1.831 70.628 68.868 -0.119 0.000 0.947 391 T HN 1.328 nan 8.240 nan 0.000 0.544 392 V N 2.565 122.395 119.914 -0.140 0.000 2.567 392 V HA 0.710 4.830 4.120 -0.000 0.000 0.289 392 V C -0.491 175.495 176.094 -0.181 0.000 1.049 392 V CA -0.893 61.316 62.300 -0.151 0.000 0.969 392 V CB 0.736 32.470 31.823 -0.147 0.000 0.995 392 V HN 0.715 nan 8.190 nan 0.000 0.471 393 L N 4.354 125.511 121.223 -0.110 0.000 2.385 393 L HA 0.621 4.961 4.340 -0.000 0.000 0.273 393 L C -0.470 176.551 176.870 0.251 0.000 0.990 393 L CA -0.669 54.176 54.840 0.009 0.000 0.821 393 L CB 1.922 44.047 42.059 0.110 0.000 1.279 393 L HN 0.704 nan 8.230 nan 0.000 0.412 394 H N 1.419 120.683 119.070 0.323 0.000 2.495 394 H HA 0.438 4.994 4.556 -0.000 0.000 0.350 394 H C -2.256 173.180 175.328 0.179 0.000 1.202 394 H CA -2.365 53.842 56.048 0.266 0.000 1.322 394 H CB 0.996 30.822 29.762 0.106 0.000 1.544 394 H HN 0.272 nan 8.280 nan 0.000 0.565 395 P HA 0.111 nan 4.420 nan 0.000 0.274 395 P C 0.650 177.902 177.300 -0.081 0.000 1.237 395 P CA -0.195 62.682 63.100 -0.371 0.000 0.793 395 P CB 1.478 32.948 31.700 -0.384 0.000 0.977 396 K N 0.360 120.720 120.400 -0.067 0.000 2.313 396 K HA 0.074 4.394 4.320 -0.000 0.000 0.197 396 K C -0.209 176.395 176.600 0.007 0.000 1.061 396 K CA 0.582 56.876 56.287 0.012 0.000 0.980 396 K CB 0.360 32.884 32.500 0.039 0.000 0.888 396 K HN 0.445 nan 8.250 nan 0.000 0.502 397 D N -0.924 119.473 120.400 -0.005 0.000 2.934 397 D HA 0.224 4.864 4.640 -0.000 0.000 0.230 397 D C -1.962 174.398 176.300 0.101 0.000 1.204 397 D CA -0.612 53.411 54.000 0.039 0.000 0.873 397 D CB 1.073 41.885 40.800 0.021 0.000 1.645 397 D HN -0.146 nan 8.370 nan 0.000 0.502 398 F N 2.908 122.815 119.950 -0.072 0.000 2.450 398 F HA 0.537 5.064 4.527 -0.000 0.000 0.332 398 F C 0.160 175.945 175.800 -0.025 0.000 1.093 398 F CA -0.492 57.468 58.000 -0.067 0.000 1.003 398 F CB 1.259 40.226 39.000 -0.055 0.000 1.151 398 F HN 0.283 nan 8.300 nan 0.000 0.474 399 N N 1.417 119.820 118.700 -0.495 0.000 2.909 399 N HA 0.463 5.203 4.740 -0.000 0.000 0.326 399 N C -1.307 173.922 175.510 -0.468 0.000 1.368 399 N CA -0.349 52.502 53.050 -0.332 0.000 0.797 399 N CB 0.428 38.766 38.487 -0.248 0.000 1.150 399 N HN 0.627 nan 8.380 nan 0.000 0.550 400 H N -1.723 117.126 119.070 -0.370 0.000 2.893 400 H HA 0.295 4.851 4.556 -0.000 0.000 0.251 400 H C -1.632 173.603 175.328 -0.154 0.000 1.388 400 H CA -0.229 55.641 56.048 -0.297 0.000 1.321 400 H CB 0.276 29.906 29.762 -0.221 0.000 1.828 400 H HN 0.605 nan 8.280 nan 0.000 0.455 401 T N 0.500 115.296 114.554 0.402 0.000 2.717 401 T HA 0.201 4.551 4.350 -0.000 0.000 0.315 401 T C 0.232 175.000 174.700 0.114 0.000 1.746 401 T CA 0.609 62.820 62.100 0.185 0.000 1.001 401 T CB 0.263 69.179 68.868 0.080 0.000 1.673 401 T HN 0.663 nan 8.240 nan 0.000 0.498 402 D N 0.915 121.317 120.400 0.003 0.000 2.370 402 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 402 D C 0.350 176.368 176.300 -0.470 0.000 1.019 402 D CA 2.191 56.092 54.000 -0.164 0.000 0.869 402 D CB -0.635 40.179 40.800 0.024 0.000 0.944 402 D HN 0.729 nan 8.370 nan 0.000 0.456 403 H N -2.224 116.625 119.070 -0.367 0.000 2.821 403 H HA 0.554 5.110 4.556 -0.000 0.000 0.373 403 H C -0.694 174.145 175.328 -0.814 0.000 1.165 403 H CA -1.047 54.558 56.048 -0.739 0.000 1.154 403 H CB 0.928 29.936 29.762 -1.256 0.000 1.765 403 H HN 0.007 nan 8.280 nan 0.000 0.549 404 F N -1.307 118.659 119.950 0.026 0.000 2.168 404 F HA -0.151 4.376 4.527 -0.000 0.000 0.408 404 F C -0.259 175.406 175.800 -0.226 0.000 1.284 404 F CA -0.437 57.523 58.000 -0.066 0.000 1.258 404 F CB -1.385 37.598 39.000 -0.029 0.000 3.622 404 F HN 0.503 nan 8.300 nan 0.000 0.466 405 S N 0.899 116.576 115.700 -0.039 0.000 2.501 405 S HA 0.828 5.298 4.470 -0.000 0.000 0.301 405 S C -0.643 173.825 174.600 -0.219 0.000 1.096 405 S CA -0.918 57.100 58.200 -0.304 0.000 1.063 405 S CB 2.440 65.561 63.200 -0.132 0.000 1.042 405 S HN 0.556 nan 8.310 nan 0.000 0.494 406 V N 2.618 122.277 119.914 -0.425 0.000 2.350 406 V HA 0.674 4.794 4.120 -0.000 0.000 0.285 406 V C -0.158 175.758 176.094 -0.296 0.000 1.014 406 V CA -0.564 61.583 62.300 -0.257 0.000 0.831 406 V CB 1.051 32.758 31.823 -0.194 0.000 1.000 406 V HN 0.978 nan 8.190 nan 0.000 0.433 407 A N 7.187 129.972 122.820 -0.059 0.000 2.273 407 A HA 0.839 5.159 4.320 -0.000 0.000 0.315 407 A C -0.338 177.100 177.584 -0.244 0.000 1.256 407 A CA -0.540 51.487 52.037 -0.017 0.000 0.851 407 A CB 0.518 19.549 19.000 0.053 0.000 1.172 407 A HN 0.931 nan 8.150 nan 0.000 0.508 408 I N -0.384 120.043 120.570 -0.237 0.000 2.353 408 I HA 0.774 4.944 4.170 -0.000 0.000 0.293 408 I C -1.179 174.758 176.117 -0.301 0.000 0.992 408 I CA -0.473 60.720 61.300 -0.178 0.000 1.268 408 I CB 0.800 38.752 38.000 -0.080 0.000 1.387 408 I HN 0.387 nan 8.210 nan 0.000 0.478 409 F N 2.737 122.690 119.950 0.005 0.000 2.483 409 F HA 0.663 5.190 4.527 -0.000 0.000 0.329 409 F C 0.516 176.305 175.800 -0.018 0.000 1.064 409 F CA -0.698 57.322 58.000 0.034 0.000 0.986 409 F CB 2.108 41.152 39.000 0.073 0.000 1.218 409 F HN 0.406 nan 8.300 nan 0.000 0.484 410 T N 2.829 117.514 114.554 0.220 0.000 2.881 410 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 410 T C -0.788 174.023 174.700 0.184 0.000 1.000 410 T CA -0.460 61.721 62.100 0.134 0.000 0.978 410 T CB 1.097 70.028 68.868 0.105 0.000 0.997 410 T HN 0.327 nan 8.240 nan 0.000 0.443 411 I N 4.994 125.654 120.570 0.150 0.000 2.411 411 I HA 0.276 4.446 4.170 -0.000 0.000 0.284 411 I C 1.651 177.778 176.117 0.017 0.000 1.012 411 I CA -1.024 60.348 61.300 0.120 0.000 1.119 411 I CB 1.157 39.237 38.000 0.132 0.000 1.261 411 I HN 0.834 nan 8.210 nan 0.000 0.448 412 H N 6.423 125.578 119.070 0.140 0.000 1.988 412 H HA -0.254 4.302 4.556 -0.000 0.000 0.173 412 H C -0.032 175.363 175.328 0.112 0.000 1.087 412 H CA 1.474 57.588 56.048 0.110 0.000 1.682 412 H CB -0.576 29.241 29.762 0.091 0.000 2.050 412 H HN 0.536 nan 8.280 nan 0.000 0.910 413 R N 0.943 121.438 120.500 -0.008 0.000 2.467 413 R HA 0.544 4.884 4.340 -0.000 0.000 0.299 413 R C -0.508 175.741 176.300 -0.085 0.000 1.120 413 R CA -0.471 55.640 56.100 0.018 0.000 0.940 413 R CB 1.629 31.996 30.300 0.112 0.000 1.161 413 R HN 0.375 nan 8.270 nan 0.000 0.506 414 I N 5.045 125.574 120.570 -0.069 0.000 2.396 414 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 414 I C -0.778 175.317 176.117 -0.037 0.000 1.056 414 I CA -0.324 60.949 61.300 -0.046 0.000 1.365 414 I CB 0.444 38.427 38.000 -0.028 0.000 1.407 414 I HN 0.547 nan 8.210 nan 0.000 0.509 415 L N 8.125 129.347 121.223 -0.002 0.000 2.304 415 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 415 L C -1.754 175.115 176.870 -0.003 0.000 1.010 415 L CA -1.865 52.973 54.840 -0.004 0.000 0.813 415 L CB 0.769 42.838 42.059 0.017 0.000 1.315 415 L HN 0.345 nan 8.230 nan 0.000 0.445 416 P HA -0.181 nan 4.420 nan 0.000 0.219 416 P C -1.450 175.853 177.300 0.005 0.000 1.158 416 P CA 1.789 64.883 63.100 -0.010 0.000 0.895 416 P CB -0.861 30.832 31.700 -0.012 0.000 0.792 417 P HA -0.147 nan 4.420 nan 0.000 0.228 417 P C 0.606 177.917 177.300 0.018 0.000 1.151 417 P CA 1.352 64.452 63.100 0.000 0.000 0.770 417 P CB -0.269 31.425 31.700 -0.009 0.000 0.786 418 D N -0.511 119.925 120.400 0.060 0.000 2.347 418 D HA 0.022 4.662 4.640 -0.000 0.000 0.213 418 D C 0.712 177.152 176.300 0.233 0.000 0.985 418 D CA 0.403 54.485 54.000 0.137 0.000 0.879 418 D CB -0.083 40.857 40.800 0.233 0.000 0.919 418 D HN 0.131 nan 8.370 nan 0.000 0.526 419 S N -0.207 115.576 115.700 0.138 0.000 2.560 419 S HA 0.419 4.889 4.470 -0.000 0.000 0.276 419 S C 0.956 175.647 174.600 0.152 0.000 1.350 419 S CA 0.466 58.747 58.200 0.134 0.000 1.024 419 S CB 1.232 64.460 63.200 0.046 0.000 0.864 419 S HN 0.469 nan 8.310 nan 0.000 0.536 420 G N -0.241 108.654 108.800 0.158 0.000 2.366 420 G HA2 0.141 4.101 3.960 -0.000 0.000 0.190 420 G HA3 0.141 4.101 3.960 -0.000 0.000 0.190 420 G C -1.596 173.384 174.900 0.134 0.000 1.299 420 G CA -0.410 44.761 45.100 0.118 0.000 1.056 420 G HN 0.924 nan 8.290 nan 0.000 0.468 421 V N 0.628 120.593 119.914 0.085 0.000 2.293 421 V HA 0.557 4.677 4.120 -0.000 0.000 0.275 421 V C -0.570 175.522 176.094 -0.004 0.000 1.021 421 V CA -0.565 61.765 62.300 0.051 0.000 0.815 421 V CB 0.429 32.289 31.823 0.061 0.000 1.025 421 V HN 0.526 nan 8.190 nan 0.000 0.448 422 W N 3.062 124.100 121.300 -0.436 0.000 2.213 422 W HA 0.719 5.379 4.660 -0.000 0.000 0.356 422 W C -0.181 176.136 176.519 -0.337 0.000 1.273 422 W CA -0.724 56.327 57.345 -0.491 0.000 1.391 422 W CB 1.043 29.971 29.460 -0.888 0.000 1.187 422 W HN 0.275 nan 8.180 nan 0.000 0.649 423 V N 1.819 121.787 119.914 0.090 0.000 2.567 423 V HA 0.179 4.299 4.120 -0.000 0.000 0.298 423 V C -0.629 175.600 176.094 0.226 0.000 1.047 423 V CA -1.290 61.117 62.300 0.177 0.000 0.880 423 V CB 1.226 33.106 31.823 0.094 0.000 1.009 423 V HN 0.587 nan 8.190 nan 0.000 0.429 424 c N 3.402 122.188 118.600 0.310 0.000 2.585 424 c HA 0.581 5.151 4.570 -0.000 0.000 0.406 424 c C 0.911 175.094 174.090 0.155 0.000 1.312 424 c CA 0.276 56.738 56.329 0.222 0.000 1.924 424 c CB 0.506 43.128 42.510 0.186 0.000 2.578 424 c HN 0.931 nan 8.230 nan 0.000 0.580 425 S N 3.106 118.892 115.700 0.142 0.000 2.707 425 S HA 0.688 5.158 4.470 -0.000 0.000 0.303 425 S C -1.011 173.660 174.600 0.119 0.000 1.132 425 S CA -0.452 57.813 58.200 0.109 0.000 1.046 425 S CB 0.708 63.953 63.200 0.075 0.000 1.004 425 S HN 0.562 nan 8.310 nan 0.000 0.483 426 V N 5.348 125.320 119.914 0.097 0.000 2.555 426 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 426 V C -0.098 176.033 176.094 0.062 0.000 1.038 426 V CA -0.860 61.494 62.300 0.090 0.000 0.887 426 V CB 1.719 33.598 31.823 0.093 0.000 0.991 426 V HN 0.926 nan 8.190 nan 0.000 0.434 427 N N 1.989 120.719 118.700 0.050 0.000 2.558 427 N HA 0.485 5.224 4.740 -0.000 0.000 0.285 427 N C -0.324 175.202 175.510 0.027 0.000 1.112 427 N CA -0.204 52.867 53.050 0.035 0.000 0.857 427 N CB 1.643 40.143 38.487 0.022 0.000 1.376 427 N HN 0.899 nan 8.380 nan 0.000 0.526 428 T N -1.255 113.318 114.554 0.032 0.000 2.855 428 T HA 0.214 4.563 4.350 -0.000 0.000 0.275 428 T C 0.864 175.584 174.700 0.032 0.000 1.022 428 T CA -0.475 61.641 62.100 0.026 0.000 0.977 428 T CB 0.875 69.759 68.868 0.027 0.000 1.559 428 T HN 0.034 nan 8.240 nan 0.000 0.600 429 V N 0.194 120.129 119.914 0.035 0.000 3.573 429 V HA 0.466 4.586 4.120 -0.000 0.000 0.270 429 V C 1.773 177.907 176.094 0.066 0.000 1.221 429 V CA 1.052 63.379 62.300 0.046 0.000 1.163 429 V CB -1.024 30.826 31.823 0.044 0.000 0.847 429 V HN 0.972 nan 8.190 nan 0.000 0.468 430 A N -0.866 121.995 122.820 0.069 0.000 2.470 430 A HA 0.744 5.064 4.320 -0.000 0.000 0.251 430 A C 0.893 178.524 177.584 0.077 0.000 1.245 430 A CA 0.548 52.636 52.037 0.085 0.000 0.932 430 A CB 0.022 19.082 19.000 0.101 0.000 1.037 430 A HN 1.134 nan 8.150 nan 0.000 0.522 431 G N -1.123 107.717 108.800 0.066 0.000 2.369 431 G HA2 0.366 4.326 3.960 -0.000 0.000 0.307 431 G HA3 0.366 4.326 3.960 -0.000 0.000 0.307 431 G C -1.053 173.875 174.900 0.047 0.000 1.327 431 G CA -0.227 44.908 45.100 0.059 0.000 0.963 431 G HN 0.644 nan 8.290 nan 0.000 0.590 432 M N 0.241 119.864 119.600 0.039 0.000 2.530 432 M HA 0.786 5.266 4.480 -0.000 0.000 0.307 432 M C -0.841 175.478 176.300 0.032 0.000 1.161 432 M CA -0.997 54.322 55.300 0.033 0.000 0.903 432 M CB 2.292 34.904 32.600 0.021 0.000 1.711 432 M HN 1.543 nan 8.290 nan 0.000 0.451 433 V N 0.509 120.446 119.914 0.038 0.000 2.891 433 V HA 0.686 4.806 4.120 -0.000 0.000 0.304 433 V C -1.468 174.655 176.094 0.048 0.000 1.171 433 V CA -0.667 61.656 62.300 0.039 0.000 0.943 433 V CB 1.946 33.796 31.823 0.044 0.000 1.037 433 V HN 0.971 nan 8.190 nan 0.000 0.427 434 E N 2.187 122.415 120.200 0.047 0.000 2.272 434 E HA 0.630 4.980 4.350 -0.000 0.000 0.269 434 E C -1.367 175.276 176.600 0.071 0.000 0.877 434 E CA -0.879 55.559 56.400 0.064 0.000 0.755 434 E CB 3.091 32.825 29.700 0.056 0.000 1.192 434 E HN 0.746 nan 8.360 nan 0.000 0.422 435 K N 3.692 124.152 120.400 0.100 0.000 2.541 435 K HA 0.395 4.715 4.320 -0.000 0.000 0.250 435 K C -2.802 173.910 176.600 0.186 0.000 0.950 435 K CA -2.032 54.320 56.287 0.108 0.000 0.805 435 K CB 1.894 34.442 32.500 0.080 0.000 1.166 435 K HN 0.239 nan 8.250 nan 0.000 0.430 436 P HA 0.372 nan 4.420 nan 0.000 0.285 436 P C -1.221 176.277 177.300 0.330 0.000 1.269 436 P CA -0.538 62.701 63.100 0.231 0.000 0.844 436 P CB 0.695 32.476 31.700 0.136 0.000 1.094 437 F N -1.525 118.472 119.950 0.078 0.000 2.613 437 F HA 0.583 5.110 4.527 -0.000 0.000 0.310 437 F C -0.741 175.088 175.800 0.049 0.000 1.085 437 F CA -1.244 56.774 58.000 0.030 0.000 0.945 437 F CB 1.372 40.382 39.000 0.017 0.000 1.298 437 F HN 0.042 nan 8.300 nan 0.000 0.455 438 N N 2.912 121.661 118.700 0.081 0.000 2.439 438 N HA 0.416 5.156 4.740 -0.000 0.000 0.249 438 N C -1.030 174.497 175.510 0.028 0.000 1.003 438 N CA -0.318 52.730 53.050 -0.004 0.000 0.942 438 N CB 0.753 39.198 38.487 -0.070 0.000 1.115 438 N HN 0.720 nan 8.380 nan 0.000 0.505 439 I N 1.053 121.596 120.570 -0.045 0.000 2.499 439 I HA 0.201 4.371 4.170 -0.000 0.000 0.296 439 I C 0.517 176.614 176.117 -0.034 0.000 0.992 439 I CA -0.544 60.700 61.300 -0.093 0.000 1.297 439 I CB 1.607 39.384 38.000 -0.371 0.000 1.410 439 I HN 0.419 nan 8.210 nan 0.000 0.507 440 S N 4.948 120.613 115.700 -0.058 0.000 2.293 440 S HA 0.278 4.747 4.470 -0.000 0.000 0.154 440 S C -0.728 173.825 174.600 -0.077 0.000 1.602 440 S CA -0.576 57.604 58.200 -0.034 0.000 1.260 440 S CB 0.095 63.299 63.200 0.007 0.000 1.270 440 S HN 0.290 nan 8.310 nan 0.000 0.416 441 V N 4.279 124.130 119.914 -0.106 0.000 2.493 441 V HA 0.228 4.348 4.120 -0.000 0.000 0.292 441 V C 0.644 176.693 176.094 -0.075 0.000 1.016 441 V CA 0.311 62.532 62.300 -0.131 0.000 1.097 441 V CB 0.141 31.884 31.823 -0.133 0.000 0.947 441 V HN 0.603 nan 8.190 nan 0.000 0.479 442 K N 3.657 124.013 120.400 -0.073 0.000 2.288 442 K HA 0.768 5.088 4.320 -0.000 0.000 0.234 442 K C -0.907 175.668 176.600 -0.042 0.000 1.037 442 K CA -0.553 55.707 56.287 -0.045 0.000 0.914 442 K CB 1.837 34.314 32.500 -0.039 0.000 1.197 442 K HN 0.400 nan 8.250 nan 0.000 0.471 443 V N 2.205 122.102 119.914 -0.028 0.000 2.555 443 V HA 0.416 4.536 4.120 -0.000 0.000 0.302 443 V C -0.489 175.594 176.094 -0.018 0.000 1.038 443 V CA -1.033 61.253 62.300 -0.023 0.000 0.887 443 V CB 1.448 33.262 31.823 -0.015 0.000 0.991 443 V HN 0.508 nan 8.190 nan 0.000 0.434 444 L N 5.452 126.666 121.223 -0.016 0.000 2.416 444 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 444 L C -1.474 175.392 176.870 -0.007 0.000 1.161 444 L CA -1.028 53.806 54.840 -0.011 0.000 0.845 444 L CB -0.225 41.829 42.059 -0.008 0.000 1.119 444 L HN 0.528 nan 8.230 nan 0.000 0.464 445 P HA 0.000 nan 4.420 nan 0.000 0.216 445 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 445 P CB 0.000 31.698 31.700 -0.004 0.000 0.726