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 2px6_1_A DATA FIRST_RESID 2221 DATA SEQUENCE SLLVNPEGPT LMRLNSVQSS ERPLFLVHPI EGSTTVFHSL ASRLSIPTYG DATA SEQUENCE LQCTRAAPLD SIHSLAAYYI DCIRQVQPEG PYRVAGYSYG ACVAFEMCSQ DATA SEQUENCE LQAQQXXXPT HNSLFLFDGS PTYXXXXXXX XXXXXXXXXX AEAETEAICF DATA SEQUENCE FVQQFTDMEH NRVLEALLPL KGLEERVAAA VDLIIKSHQG LDRQELSFAA DATA SEQUENCE RSFYYKLRAA EQYTPKAKYH GNVMLLRAKT XXXXXXXXGA DYNLSQVCDG DATA SEQUENCE KVSVHVIEGD HRTLLEGSGL ESIISIIHSS L 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 2221 S HA 0.000 nan 4.470 nan 0.000 0.327 2221 S C 0.000 174.615 174.600 0.025 0.000 1.055 2221 S CA 0.000 58.206 58.200 0.011 0.000 1.107 2221 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 2222 L N 2.303 123.538 121.223 0.021 0.000 2.653 2222 L HA 0.456 4.800 4.340 0.006 0.000 0.232 2222 L C -0.443 176.563 176.870 0.227 0.000 1.169 2222 L CA 0.483 55.360 54.840 0.063 0.000 0.951 2222 L CB -0.082 41.900 42.059 -0.128 0.000 1.181 2222 L HN 0.147 nan 8.230 nan 0.000 0.460 2223 L N -0.236 121.103 121.223 0.194 0.000 2.350 2223 L HA 0.720 5.064 4.340 0.006 0.000 0.260 2223 L C -0.648 176.325 176.870 0.171 0.000 1.015 2223 L CA -1.018 53.952 54.840 0.216 0.000 0.821 2223 L CB 2.701 44.880 42.059 0.199 0.000 1.370 2223 L HN -0.230 nan 8.230 nan 0.000 0.416 2224 V N -1.170 118.864 119.914 0.200 0.000 2.962 2224 V HA 0.540 4.664 4.120 0.006 0.000 0.313 2224 V C -0.740 175.426 176.094 0.120 0.000 1.099 2224 V CA -0.791 61.603 62.300 0.157 0.000 0.971 2224 V CB 1.992 33.923 31.823 0.181 0.000 1.028 2224 V HN 0.786 nan 8.190 nan 0.000 0.430 2225 N N 5.168 123.903 118.700 0.059 0.000 2.416 2225 N HA 0.306 5.049 4.740 0.006 0.000 0.271 2225 N C -1.338 174.125 175.510 -0.079 0.000 1.245 2225 N CA -1.736 51.317 53.050 0.005 0.000 0.940 2225 N CB 1.180 39.670 38.487 0.005 0.000 1.175 2225 N HN 0.622 nan 8.380 nan 0.000 0.483 2226 P HA -0.080 nan 4.420 nan 0.000 0.225 2226 P C -0.031 177.063 177.300 -0.343 0.000 1.148 2226 P CA 1.112 63.895 63.100 -0.529 0.000 0.779 2226 P CB 0.474 31.788 31.700 -0.643 0.000 0.780 2227 E N -0.387 119.710 120.200 -0.171 0.000 2.476 2227 E HA 0.192 4.545 4.350 0.006 0.000 0.196 2227 E C 1.309 177.879 176.600 -0.051 0.000 1.029 2227 E CA -0.084 56.255 56.400 -0.102 0.000 0.896 2227 E CB -0.092 29.568 29.700 -0.068 0.000 1.012 2227 E HN 0.165 nan 8.360 nan 0.000 0.475 2228 G N 3.258 112.032 108.800 -0.042 0.000 2.684 2228 G HA2 0.218 4.182 3.960 0.006 0.000 0.255 2228 G HA3 0.218 4.182 3.960 0.006 0.000 0.255 2228 G C -2.199 172.718 174.900 0.027 0.000 1.219 2228 G CA -0.812 44.289 45.100 0.002 0.000 0.901 2228 G HN -0.055 nan 8.290 nan 0.000 0.548 2229 P HA 0.137 nan 4.420 nan 0.000 0.271 2229 P C 0.664 178.020 177.300 0.093 0.000 1.216 2229 P CA -0.092 63.051 63.100 0.072 0.000 0.776 2229 P CB 1.254 32.998 31.700 0.072 0.000 0.881 2230 T N 1.735 116.361 114.554 0.119 0.000 2.701 2230 T HA -0.066 4.287 4.350 0.006 0.000 0.263 2230 T C 0.863 175.601 174.700 0.063 0.000 1.040 2230 T CA 1.004 63.184 62.100 0.133 0.000 1.147 2230 T CB -0.331 68.662 68.868 0.209 0.000 0.865 2230 T HN 0.234 nan 8.240 nan 0.000 0.426 2231 L N 3.139 124.398 121.223 0.060 0.000 2.292 2231 L HA 0.522 4.866 4.340 0.006 0.000 0.284 2231 L C -0.469 176.511 176.870 0.185 0.000 1.065 2231 L CA -0.237 54.669 54.840 0.109 0.000 0.806 2231 L CB 0.553 42.659 42.059 0.078 0.000 1.175 2231 L HN 0.254 nan 8.230 nan 0.000 0.431 2232 M N 3.483 123.223 119.600 0.233 0.000 2.433 2232 M HA 0.563 5.047 4.480 0.006 0.000 0.290 2232 M C -0.946 175.396 176.300 0.069 0.000 1.173 2232 M CA -0.971 54.428 55.300 0.165 0.000 0.905 2232 M CB 1.964 34.625 32.600 0.102 0.000 1.692 2232 M HN 0.320 nan 8.290 nan 0.000 0.462 2233 R N 2.432 122.868 120.500 -0.108 0.000 2.421 2233 R HA 0.270 4.614 4.340 0.006 0.000 0.305 2233 R C 0.451 176.642 176.300 -0.183 0.000 1.039 2233 R CA 0.083 55.949 56.100 -0.390 0.000 1.003 2233 R CB 0.365 30.468 30.300 -0.329 0.000 0.959 2233 R HN 0.860 nan 8.270 nan 0.000 0.427 2234 L N 2.128 123.238 121.223 -0.187 0.000 2.513 2234 L HA -0.004 4.340 4.340 0.006 0.000 0.222 2234 L C 0.535 177.376 176.870 -0.049 0.000 1.096 2234 L CA 0.335 55.149 54.840 -0.045 0.000 0.857 2234 L CB -0.148 41.919 42.059 0.014 0.000 1.026 2234 L HN 0.581 nan 8.230 nan 0.000 0.469 2235 N N -2.746 115.871 118.700 -0.138 0.000 2.629 2235 N HA 0.171 4.915 4.740 0.006 0.000 0.279 2235 N C -0.247 175.181 175.510 -0.138 0.000 1.344 2235 N CA -0.689 52.298 53.050 -0.105 0.000 0.789 2235 N CB 1.312 39.744 38.487 -0.092 0.000 1.508 2235 N HN -0.287 nan 8.380 nan 0.000 0.516 2236 S N -0.800 114.846 115.700 -0.089 0.000 2.593 2236 S HA 0.216 4.690 4.470 0.006 0.000 0.236 2236 S C -0.214 174.348 174.600 -0.063 0.000 0.991 2236 S CA -0.544 57.610 58.200 -0.077 0.000 0.963 2236 S CB -0.207 62.966 63.200 -0.045 0.000 0.865 2236 S HN 0.439 nan 8.310 nan 0.000 0.488 2237 V N 3.044 122.916 119.914 -0.070 0.000 2.584 2237 V HA -0.026 4.097 4.120 0.006 0.000 0.303 2237 V C 0.533 176.603 176.094 -0.040 0.000 1.035 2237 V CA 0.502 62.771 62.300 -0.051 0.000 1.172 2237 V CB 0.248 32.037 31.823 -0.055 0.000 0.896 2237 V HN 0.448 nan 8.190 nan 0.000 0.486 2238 Q N 3.792 123.577 119.800 -0.025 0.000 2.368 2238 Q HA 0.548 4.892 4.340 0.006 0.000 0.256 2238 Q C -0.516 175.478 176.000 -0.011 0.000 0.980 2238 Q CA -0.044 55.753 55.803 -0.011 0.000 0.887 2238 Q CB 1.274 30.008 28.738 -0.007 0.000 1.221 2238 Q HN 0.855 nan 8.270 nan 0.000 0.458 2239 S N 1.333 117.031 115.700 -0.004 0.000 2.552 2239 S HA 0.224 4.697 4.470 0.006 0.000 0.272 2239 S C 0.148 174.749 174.600 0.002 0.000 1.150 2239 S CA -0.060 58.136 58.200 -0.008 0.000 0.849 2239 S CB 1.365 64.552 63.200 -0.021 0.000 1.113 2239 S HN 0.674 nan 8.310 nan 0.000 0.458 2240 S N 1.569 117.268 115.700 -0.002 0.000 2.528 2240 S HA 0.162 4.636 4.470 0.006 0.000 0.219 2240 S C 0.500 175.100 174.600 -0.000 0.000 0.985 2240 S CA 0.282 58.484 58.200 0.003 0.000 0.914 2240 S CB -0.350 62.849 63.200 -0.001 0.000 0.776 2240 S HN 0.756 nan 8.310 nan 0.000 0.526 2241 E N 2.548 122.742 120.200 -0.009 0.000 2.452 2241 E HA 0.026 4.380 4.350 0.006 0.000 0.261 2241 E C -0.185 176.414 176.600 -0.002 0.000 0.987 2241 E CA -0.075 56.317 56.400 -0.013 0.000 0.926 2241 E CB 0.366 30.048 29.700 -0.030 0.000 0.934 2241 E HN 0.314 nan 8.360 nan 0.000 0.452 2242 R N 5.509 126.012 120.500 0.005 0.000 2.504 2242 R HA 0.047 4.390 4.340 0.006 0.000 0.291 2242 R C -1.986 174.317 176.300 0.004 0.000 0.974 2242 R CA -1.077 55.037 56.100 0.024 0.000 1.077 2242 R CB -0.239 30.083 30.300 0.037 0.000 0.926 2242 R HN 0.488 nan 8.270 nan 0.000 0.407 2243 P HA -0.048 nan 4.420 nan 0.000 0.269 2243 P C -0.735 176.415 177.300 -0.249 0.000 1.215 2243 P CA -0.341 62.644 63.100 -0.191 0.000 0.780 2243 P CB 0.488 31.928 31.700 -0.433 0.000 0.898 2244 L N 3.352 124.437 121.223 -0.230 0.000 2.292 2244 L HA 0.448 4.792 4.340 0.006 0.000 0.284 2244 L C -1.087 175.606 176.870 -0.296 0.000 1.065 2244 L CA -0.085 54.664 54.840 -0.152 0.000 0.806 2244 L CB -0.405 41.605 42.059 -0.083 0.000 1.175 2244 L HN 0.174 nan 8.230 nan 0.000 0.431 2245 F N 5.822 125.802 119.950 0.050 0.000 2.426 2245 F HA 0.517 5.048 4.527 0.007 0.000 0.348 2245 F C -0.421 175.330 175.800 -0.080 0.000 1.124 2245 F CA -0.513 57.490 58.000 0.005 0.000 1.008 2245 F CB 1.217 40.200 39.000 -0.027 0.000 1.139 2245 F HN 0.201 nan 8.300 nan 0.000 0.452 2246 L N 4.925 126.147 121.223 -0.001 0.000 2.325 2246 L HA 0.558 4.902 4.340 0.006 0.000 0.281 2246 L C -0.810 176.005 176.870 -0.093 0.000 1.004 2246 L CA -1.012 53.663 54.840 -0.275 0.000 0.823 2246 L CB 1.713 43.234 42.059 -0.897 0.000 1.236 2246 L HN 0.258 nan 8.230 nan 0.000 0.415 2247 V N 2.170 122.112 119.914 0.046 0.000 2.406 2247 V HA 0.146 4.270 4.120 0.006 0.000 0.272 2247 V C 0.132 176.457 176.094 0.385 0.000 1.043 2247 V CA -0.814 61.569 62.300 0.139 0.000 0.915 2247 V CB 0.526 32.374 31.823 0.042 0.000 0.988 2247 V HN 0.819 nan 8.190 nan 0.000 0.466 2248 H N 6.061 125.434 119.070 0.506 0.000 3.044 2248 H HA 0.177 4.736 4.556 0.006 0.000 0.356 2248 H C -2.469 173.102 175.328 0.405 0.000 1.134 2248 H CA -0.900 55.431 56.048 0.472 0.000 1.387 2248 H CB -0.367 29.601 29.762 0.344 0.000 1.325 2248 H HN 0.441 nan 8.280 nan 0.000 0.609 2249 P HA 0.076 nan 4.420 nan 0.000 0.306 2249 P C 1.066 178.593 177.300 0.379 0.000 1.309 2249 P CA -0.642 62.623 63.100 0.275 0.000 0.759 2249 P CB 1.087 32.840 31.700 0.088 0.000 1.314 2250 I N 0.153 120.867 120.570 0.240 0.000 2.423 2250 I HA -0.245 3.929 4.170 0.006 0.000 0.254 2250 I C 1.994 178.198 176.117 0.145 0.000 1.151 2250 I CA 1.477 62.803 61.300 0.043 0.000 1.421 2250 I CB -0.220 37.840 38.000 0.101 0.000 1.079 2250 I HN 0.291 nan 8.210 nan 0.000 0.431 2251 E N 0.498 120.809 120.200 0.185 0.000 2.204 2251 E HA -0.131 4.223 4.350 0.006 0.000 0.194 2251 E C 1.779 178.467 176.600 0.147 0.000 0.989 2251 E CA 1.078 57.571 56.400 0.154 0.000 0.824 2251 E CB -0.462 29.309 29.700 0.118 0.000 0.756 2251 E HN 0.582 nan 8.360 nan 0.000 0.477 2252 G N 1.104 110.006 108.800 0.170 0.000 2.195 2252 G HA2 -0.282 3.682 3.960 0.006 0.000 0.224 2252 G HA3 -0.282 3.682 3.960 0.006 0.000 0.224 2252 G C 0.481 175.408 174.900 0.043 0.000 0.990 2252 G CA 0.395 45.468 45.100 -0.045 0.000 0.639 2252 G HN 0.606 nan 8.290 nan 0.000 0.514 2253 S N -0.503 115.292 115.700 0.158 0.000 2.722 2253 S HA 0.691 5.164 4.470 0.006 0.000 0.292 2253 S C 0.981 175.708 174.600 0.212 0.000 1.135 2253 S CA 0.612 58.910 58.200 0.163 0.000 1.003 2253 S CB 1.739 65.012 63.200 0.121 0.000 1.067 2253 S HN 1.056 nan 8.310 nan 0.000 0.546 2254 T N -3.241 111.445 114.554 0.220 0.000 3.105 2254 T HA 0.156 4.510 4.350 0.006 0.000 0.253 2254 T C 1.318 176.134 174.700 0.194 0.000 1.047 2254 T CA 0.083 62.379 62.100 0.326 0.000 0.944 2254 T CB -0.566 68.544 68.868 0.404 0.000 1.016 2254 T HN 0.539 nan 8.240 nan 0.000 0.544 2255 T N 2.950 117.558 114.554 0.089 0.000 2.699 2255 T HA -0.150 4.204 4.350 0.006 0.000 0.268 2255 T C 2.255 176.958 174.700 0.005 0.000 1.036 2255 T CA 1.894 64.022 62.100 0.047 0.000 1.147 2255 T CB -0.639 68.240 68.868 0.018 0.000 0.862 2255 T HN 0.567 nan 8.240 nan 0.000 0.446 2256 V N -0.803 119.032 119.914 -0.132 0.000 2.660 2256 V HA -0.120 4.004 4.120 0.006 0.000 0.257 2256 V C 1.790 177.720 176.094 -0.274 0.000 1.088 2256 V CA 1.644 63.772 62.300 -0.287 0.000 1.106 2256 V CB -1.195 30.347 31.823 -0.468 0.000 0.686 2256 V HN 0.568 nan 8.190 nan 0.000 0.481 2257 F N -0.299 119.670 119.950 0.032 0.000 2.749 2257 F HA 0.209 4.739 4.527 0.006 0.000 0.300 2257 F C 2.319 178.125 175.800 0.010 0.000 1.103 2257 F CA 0.642 58.646 58.000 0.005 0.000 1.342 2257 F CB -0.371 38.670 39.000 0.069 0.000 1.098 2257 F HN 0.274 nan 8.300 nan 0.000 0.586 2258 H N -0.045 119.089 119.070 0.106 0.000 2.353 2258 H HA -0.170 4.390 4.556 0.006 0.000 0.298 2258 H C 1.947 177.282 175.328 0.012 0.000 1.103 2258 H CA 1.891 57.969 56.048 0.049 0.000 1.293 2258 H CB 0.223 29.996 29.762 0.018 0.000 1.372 2258 H HN 0.159 nan 8.280 nan 0.000 0.501 2259 S N 0.763 116.347 115.700 -0.193 0.000 2.357 2259 S HA -0.109 4.365 4.470 0.006 0.000 0.221 2259 S C 2.219 176.699 174.600 -0.199 0.000 1.031 2259 S CA 0.859 58.898 58.200 -0.268 0.000 0.982 2259 S CB -0.348 62.758 63.200 -0.157 0.000 0.853 2259 S HN 0.346 nan 8.310 nan 0.000 0.458 2260 L N 2.262 123.410 121.223 -0.125 0.000 2.013 2260 L HA -0.108 4.235 4.340 0.006 0.000 0.212 2260 L C 2.301 179.109 176.870 -0.103 0.000 1.073 2260 L CA 2.168 56.937 54.840 -0.117 0.000 0.753 2260 L CB -1.015 40.996 42.059 -0.081 0.000 0.890 2260 L HN 0.242 nan 8.230 nan 0.000 0.432 2261 A N -0.761 122.017 122.820 -0.070 0.000 1.933 2261 A HA -0.207 4.117 4.320 0.006 0.000 0.218 2261 A C 2.434 179.960 177.584 -0.097 0.000 1.175 2261 A CA 2.002 53.999 52.037 -0.067 0.000 0.628 2261 A CB -1.176 17.815 19.000 -0.015 0.000 0.814 2261 A HN 0.712 nan 8.150 nan 0.000 0.444 2262 S N -1.181 114.421 115.700 -0.163 0.000 2.515 2262 S HA -0.015 4.459 4.470 0.006 0.000 0.231 2262 S C 1.677 176.206 174.600 -0.117 0.000 0.987 2262 S CA 1.101 59.201 58.200 -0.167 0.000 0.936 2262 S CB -0.166 62.853 63.200 -0.301 0.000 0.766 2262 S HN 0.567 nan 8.310 nan 0.000 0.528 2263 R N -0.402 120.032 120.500 -0.111 0.000 2.335 2263 R HA 0.474 4.818 4.340 0.006 0.000 0.210 2263 R C -0.122 176.155 176.300 -0.037 0.000 0.892 2263 R CA -0.142 55.908 56.100 -0.085 0.000 1.048 2263 R CB 0.198 30.428 30.300 -0.116 0.000 1.067 2263 R HN 0.347 nan 8.270 nan 0.000 0.524 2264 L N 0.947 122.157 121.223 -0.021 0.000 2.371 2264 L HA 0.127 4.471 4.340 0.006 0.000 0.272 2264 L C 0.994 177.900 176.870 0.060 0.000 1.124 2264 L CA -0.124 54.765 54.840 0.081 0.000 0.816 2264 L CB 1.546 43.627 42.059 0.036 0.000 1.129 2264 L HN 0.104 nan 8.230 nan 0.000 0.448 2265 S N 3.285 119.034 115.700 0.082 0.000 2.618 2265 S HA 0.302 4.776 4.470 0.006 0.000 0.242 2265 S C -0.089 174.467 174.600 -0.074 0.000 0.972 2265 S CA -0.485 57.697 58.200 -0.030 0.000 1.004 2265 S CB -0.265 62.883 63.200 -0.088 0.000 0.778 2265 S HN 0.505 nan 8.310 nan 0.000 0.459 2266 I N 0.786 121.324 120.570 -0.053 0.000 2.647 2266 I HA 0.528 4.702 4.170 0.006 0.000 0.295 2266 I C -3.032 173.046 176.117 -0.065 0.000 1.078 2266 I CA -3.014 58.248 61.300 -0.064 0.000 1.048 2266 I CB 2.353 40.316 38.000 -0.061 0.000 1.239 2266 I HN -0.096 nan 8.210 nan 0.000 0.421 2267 P HA 0.101 nan 4.420 nan 0.000 0.267 2267 P C -1.069 176.161 177.300 -0.116 0.000 1.209 2267 P CA 0.153 63.205 63.100 -0.080 0.000 0.763 2267 P CB 0.436 32.138 31.700 0.003 0.000 0.816 2268 T N 2.067 116.499 114.554 -0.203 0.000 2.841 2268 T HA 0.590 4.944 4.350 0.006 0.000 0.283 2268 T C -1.165 173.348 174.700 -0.311 0.000 1.000 2268 T CA -0.571 61.409 62.100 -0.199 0.000 0.977 2268 T CB 0.471 69.253 68.868 -0.143 0.000 0.979 2268 T HN 0.065 nan 8.240 nan 0.000 0.446 2269 Y N 1.244 121.383 120.300 -0.268 0.000 2.487 2269 Y HA 0.713 5.266 4.550 0.006 0.000 0.337 2269 Y C 0.877 176.754 175.900 -0.039 0.000 1.076 2269 Y CA -0.607 57.425 58.100 -0.113 0.000 1.115 2269 Y CB 2.353 40.785 38.460 -0.047 0.000 1.235 2269 Y HN 1.075 nan 8.280 nan 0.000 0.468 2270 G N 2.006 110.910 108.800 0.173 0.000 2.452 2270 G HA2 0.650 4.613 3.960 0.006 0.000 0.324 2270 G HA3 0.650 4.613 3.960 0.006 0.000 0.324 2270 G C -1.720 173.280 174.900 0.166 0.000 1.214 2270 G CA -0.815 44.381 45.100 0.161 0.000 0.947 2270 G HN 0.525 nan 8.290 nan 0.000 0.478 2271 L N 1.736 123.028 121.223 0.115 0.000 2.280 2271 L HA 0.416 4.760 4.340 0.006 0.000 0.287 2271 L C 0.397 177.351 176.870 0.140 0.000 1.023 2271 L CA -0.664 54.148 54.840 -0.047 0.000 0.819 2271 L CB 1.618 43.400 42.059 -0.462 0.000 1.212 2271 L HN 0.719 nan 8.230 nan 0.000 0.420 2272 Q N 2.154 122.022 119.800 0.113 0.000 2.248 2272 Q HA 0.477 4.821 4.340 0.006 0.000 0.263 2272 Q C -0.946 175.117 176.000 0.106 0.000 1.007 2272 Q CA -0.848 55.032 55.803 0.127 0.000 0.877 2272 Q CB 2.223 31.038 28.738 0.129 0.000 1.315 2272 Q HN 0.554 nan 8.270 nan 0.000 0.454 2273 C N 3.504 122.775 119.300 -0.048 0.000 2.225 2273 C HA 0.605 5.069 4.460 0.006 0.000 0.328 2273 C C 0.375 175.551 174.990 0.309 0.000 1.187 2273 C CA 0.321 59.412 59.018 0.122 0.000 1.665 2273 C CB -0.785 26.871 27.740 -0.139 0.000 2.253 2273 C HN 0.889 nan 8.230 nan 0.000 0.497 2274 T N 2.618 117.325 114.554 0.254 0.000 2.804 2274 T HA 0.390 4.744 4.350 0.006 0.000 0.272 2274 T C 1.226 175.839 174.700 -0.145 0.000 0.986 2274 T CA -0.593 61.479 62.100 -0.046 0.000 0.999 2274 T CB 0.671 69.502 68.868 -0.061 0.000 1.307 2274 T HN 0.614 nan 8.240 nan 0.000 0.586 2275 R N -0.500 119.698 120.500 -0.504 0.000 2.189 2275 R HA 0.063 4.407 4.340 0.006 0.000 0.223 2275 R C 2.350 178.584 176.300 -0.109 0.000 1.092 2275 R CA 1.037 56.951 56.100 -0.310 0.000 0.989 2275 R CB -0.800 29.291 30.300 -0.349 0.000 0.876 2275 R HN 0.758 nan 8.270 nan 0.000 0.457 2276 A N 0.812 123.573 122.820 -0.100 0.000 1.968 2276 A HA 0.129 4.453 4.320 0.006 0.000 0.217 2276 A C 1.064 178.420 177.584 -0.381 0.000 1.169 2276 A CA 0.854 52.798 52.037 -0.155 0.000 0.638 2276 A CB -0.216 18.779 19.000 -0.009 0.000 0.812 2276 A HN 0.359 nan 8.150 nan 0.000 0.446 2277 A N 1.503 124.216 122.820 -0.178 0.000 2.524 2277 A HA 0.469 4.793 4.320 0.006 0.000 0.250 2277 A C -2.286 175.168 177.584 -0.216 0.000 1.078 2277 A CA -1.025 50.883 52.037 -0.214 0.000 0.761 2277 A CB -0.344 18.764 19.000 0.181 0.000 1.012 2277 A HN 0.281 nan 8.150 nan 0.000 0.500 2278 P HA 0.182 nan 4.420 nan 0.000 0.277 2278 P C -0.165 177.078 177.300 -0.096 0.000 1.354 2278 P CA 0.155 63.148 63.100 -0.178 0.000 0.891 2278 P CB 0.444 32.045 31.700 -0.166 0.000 1.058 2279 L N 2.811 123.989 121.223 -0.076 0.000 2.688 2279 L HA 0.046 4.389 4.340 0.006 0.000 0.234 2279 L C 1.724 178.588 176.870 -0.010 0.000 1.192 2279 L CA 0.058 54.890 54.840 -0.014 0.000 0.984 2279 L CB -0.360 41.714 42.059 0.026 0.000 1.232 2279 L HN 0.341 nan 8.230 nan 0.000 0.465 2280 D N -0.608 119.771 120.400 -0.034 0.000 2.224 2280 D HA -0.078 4.566 4.640 0.006 0.000 0.205 2280 D C 0.680 177.010 176.300 0.051 0.000 0.965 2280 D CA 0.715 54.718 54.000 0.005 0.000 0.852 2280 D CB 0.307 41.100 40.800 -0.011 0.000 0.947 2280 D HN 0.372 nan 8.370 nan 0.000 0.494 2281 S N -1.309 114.423 115.700 0.053 0.000 2.595 2281 S HA 0.286 4.760 4.470 0.006 0.000 0.270 2281 S C 0.552 175.182 174.600 0.050 0.000 1.145 2281 S CA -0.870 57.378 58.200 0.080 0.000 0.825 2281 S CB 0.884 64.153 63.200 0.114 0.000 1.107 2281 S HN -0.128 nan 8.310 nan 0.000 0.461 2282 I N 1.170 121.755 120.570 0.025 0.000 2.315 2282 I HA -0.101 4.073 4.170 0.006 0.000 0.248 2282 I C 2.448 178.513 176.117 -0.087 0.000 1.117 2282 I CA 2.202 63.418 61.300 -0.139 0.000 1.404 2282 I CB -1.894 35.803 38.000 -0.506 0.000 1.071 2282 I HN 1.049 nan 8.210 nan 0.000 0.419 2283 H N 1.299 120.365 119.070 -0.007 0.000 2.289 2283 H HA -0.160 4.400 4.556 0.007 0.000 0.296 2283 H C 2.415 177.726 175.328 -0.028 0.000 1.091 2283 H CA 2.572 58.628 56.048 0.013 0.000 1.274 2283 H CB 0.145 29.941 29.762 0.057 0.000 1.364 2283 H HN 0.160 nan 8.280 nan 0.000 0.490 2284 S N 0.011 115.760 115.700 0.083 0.000 2.383 2284 S HA -0.107 4.366 4.470 0.006 0.000 0.227 2284 S C 2.092 176.641 174.600 -0.086 0.000 1.026 2284 S CA 1.009 59.218 58.200 0.016 0.000 0.981 2284 S CB -0.342 62.888 63.200 0.050 0.000 0.818 2284 S HN 0.324 nan 8.310 nan 0.000 0.472 2285 L N 2.032 123.175 121.223 -0.134 0.000 2.027 2285 L HA 0.027 4.371 4.340 0.006 0.000 0.206 2285 L C 2.433 179.068 176.870 -0.392 0.000 1.074 2285 L CA 1.814 56.487 54.840 -0.277 0.000 0.745 2285 L CB -1.115 40.788 42.059 -0.260 0.000 0.898 2285 L HN 0.247 nan 8.230 nan 0.000 0.433 2286 A N -0.502 122.145 122.820 -0.288 0.000 1.883 2286 A HA -0.196 4.128 4.320 0.006 0.000 0.217 2286 A C 2.438 179.901 177.584 -0.201 0.000 1.186 2286 A CA 2.116 54.015 52.037 -0.230 0.000 0.624 2286 A CB -1.249 17.609 19.000 -0.236 0.000 0.822 2286 A HN 0.567 nan 8.150 nan 0.000 0.444 2287 A N -1.783 120.895 122.820 -0.236 0.000 1.930 2287 A HA -0.075 4.249 4.320 0.006 0.000 0.217 2287 A C 2.145 179.691 177.584 -0.063 0.000 1.175 2287 A CA 1.684 53.614 52.037 -0.179 0.000 0.627 2287 A CB -0.730 18.147 19.000 -0.206 0.000 0.815 2287 A HN 0.771 nan 8.150 nan 0.000 0.443 2288 Y N -0.841 119.369 120.300 -0.149 0.000 2.200 2288 Y HA -0.213 4.342 4.550 0.009 0.000 0.290 2288 Y C 2.146 178.075 175.900 0.049 0.000 1.137 2288 Y CA 1.511 59.569 58.100 -0.069 0.000 1.163 2288 Y CB -0.610 37.797 38.460 -0.089 0.000 0.988 2288 Y HN 0.441 nan 8.280 nan 0.000 0.518 2289 Y N -0.310 119.849 120.300 -0.235 0.000 2.181 2289 Y HA -0.292 4.263 4.550 0.008 0.000 0.288 2289 Y C 2.516 178.180 175.900 -0.393 0.000 1.146 2289 Y CA 1.016 58.923 58.100 -0.322 0.000 1.164 2289 Y CB -0.304 38.074 38.460 -0.136 0.000 0.982 2289 Y HN 0.112 nan 8.280 nan 0.000 0.515 2290 I N 0.259 120.717 120.570 -0.186 0.000 2.151 2290 I HA -0.375 3.799 4.170 0.006 0.000 0.243 2290 I C 1.918 177.846 176.117 -0.314 0.000 1.080 2290 I CA 1.439 62.548 61.300 -0.319 0.000 1.339 2290 I CB -0.466 37.380 38.000 -0.258 0.000 1.039 2290 I HN 0.234 nan 8.210 nan 0.000 0.409 2291 D N 0.465 120.726 120.400 -0.233 0.000 2.133 2291 D HA -0.182 4.462 4.640 0.006 0.000 0.195 2291 D C 2.282 178.433 176.300 -0.248 0.000 0.997 2291 D CA 1.422 55.304 54.000 -0.196 0.000 0.840 2291 D CB -0.413 40.317 40.800 -0.117 0.000 0.947 2291 D HN 0.414 nan 8.370 nan 0.000 0.452 2292 C N 0.378 119.464 119.300 -0.358 0.000 2.453 2292 C HA -0.030 4.434 4.460 0.006 0.000 0.277 2292 C C 2.868 177.673 174.990 -0.309 0.000 1.262 2292 C CA -0.179 58.646 59.018 -0.322 0.000 1.718 2292 C CB -0.965 26.547 27.740 -0.379 0.000 2.031 2292 C HN 0.346 nan 8.230 nan 0.000 0.480 2293 I N 0.657 120.949 120.570 -0.462 0.000 2.248 2293 I HA -0.254 3.920 4.170 0.006 0.000 0.248 2293 I C 2.716 178.561 176.117 -0.454 0.000 1.107 2293 I CA 1.507 62.368 61.300 -0.730 0.000 1.373 2293 I CB -0.415 36.892 38.000 -1.154 0.000 1.055 2293 I HN 0.375 nan 8.210 nan 0.000 0.418 2294 R N 0.210 120.527 120.500 -0.306 0.000 2.241 2294 R HA -0.149 4.195 4.340 0.006 0.000 0.224 2294 R C 1.990 178.253 176.300 -0.061 0.000 1.101 2294 R CA 0.750 56.781 56.100 -0.114 0.000 0.995 2294 R CB -0.178 30.069 30.300 -0.088 0.000 0.870 2294 R HN 0.467 nan 8.270 nan 0.000 0.463 2295 Q N -0.131 119.614 119.800 -0.092 0.000 2.297 2295 Q HA -0.015 4.329 4.340 0.006 0.000 0.204 2295 Q C 2.016 178.003 176.000 -0.023 0.000 0.962 2295 Q CA 0.809 56.585 55.803 -0.045 0.000 0.879 2295 Q CB 0.120 28.831 28.738 -0.045 0.000 0.947 2295 Q HN 0.182 nan 8.270 nan 0.000 0.462 2296 V N -0.146 119.741 119.914 -0.044 0.000 2.581 2296 V HA 0.009 4.133 4.120 0.006 0.000 0.240 2296 V C 0.842 176.968 176.094 0.053 0.000 1.054 2296 V CA 0.734 63.023 62.300 -0.018 0.000 1.076 2296 V CB 0.349 32.076 31.823 -0.160 0.000 0.748 2296 V HN 0.247 nan 8.190 nan 0.000 0.474 2297 Q N -0.308 119.554 119.800 0.103 0.000 2.490 2297 Q HA 0.254 4.598 4.340 0.006 0.000 0.255 2297 Q C -2.248 173.854 176.000 0.169 0.000 0.997 2297 Q CA -1.687 54.212 55.803 0.160 0.000 0.709 2297 Q CB 2.324 31.244 28.738 0.304 0.000 1.255 2297 Q HN 0.225 nan 8.270 nan 0.000 0.486 2298 P HA -0.134 nan 4.420 nan 0.000 0.218 2298 P C -0.699 176.667 177.300 0.109 0.000 1.148 2298 P CA 1.284 64.430 63.100 0.077 0.000 0.822 2298 P CB 0.356 32.077 31.700 0.035 0.000 0.784 2299 E N -1.275 118.944 120.200 0.031 0.000 2.256 2299 E HA 0.516 4.870 4.350 0.006 0.000 0.267 2299 E C 0.296 176.646 176.600 -0.417 0.000 0.892 2299 E CA -0.936 55.432 56.400 -0.055 0.000 0.775 2299 E CB 1.526 31.191 29.700 -0.059 0.000 1.207 2299 E HN -0.092 nan 8.360 nan 0.000 0.420 2300 G N 1.573 110.076 108.800 -0.496 0.000 2.563 2300 G HA2 0.332 4.296 3.960 0.006 0.000 0.283 2300 G HA3 0.332 4.296 3.960 0.006 0.000 0.283 2300 G C -2.095 172.605 174.900 -0.334 0.000 1.309 2300 G CA -0.837 43.770 45.100 -0.823 0.000 1.022 2300 G HN 0.349 nan 8.290 nan 0.000 0.501 2301 P HA 0.182 nan 4.420 nan 0.000 0.271 2301 P C -1.420 175.720 177.300 -0.267 0.000 1.218 2301 P CA 0.145 63.161 63.100 -0.140 0.000 0.780 2301 P CB 0.541 32.258 31.700 0.028 0.000 0.901 2302 Y N 0.406 120.760 120.300 0.089 0.000 2.487 2302 Y HA 0.456 5.011 4.550 0.007 0.000 0.337 2302 Y C 1.232 177.231 175.900 0.164 0.000 1.076 2302 Y CA -0.769 57.409 58.100 0.130 0.000 1.115 2302 Y CB 1.953 40.455 38.460 0.071 0.000 1.235 2302 Y HN 0.126 nan 8.280 nan 0.000 0.468 2303 R N 1.860 122.606 120.500 0.410 0.000 2.247 2303 R HA 0.556 4.900 4.340 0.006 0.000 0.329 2303 R C -1.581 174.938 176.300 0.365 0.000 1.014 2303 R CA -0.484 55.823 56.100 0.345 0.000 0.907 2303 R CB 0.860 31.322 30.300 0.269 0.000 1.146 2303 R HN 0.341 nan 8.270 nan 0.000 0.499 2304 V N 1.825 121.917 119.914 0.296 0.000 2.555 2304 V HA 0.800 4.924 4.120 0.006 0.000 0.302 2304 V C -0.160 176.035 176.094 0.169 0.000 1.038 2304 V CA -0.852 61.571 62.300 0.206 0.000 0.887 2304 V CB 1.816 33.696 31.823 0.094 0.000 0.991 2304 V HN 0.839 nan 8.190 nan 0.000 0.434 2305 A N 2.572 125.422 122.820 0.050 0.000 2.469 2305 A HA 1.013 5.336 4.320 0.006 0.000 0.299 2305 A C -0.165 177.330 177.584 -0.147 0.000 1.098 2305 A CA -0.276 51.676 52.037 -0.142 0.000 0.737 2305 A CB 2.162 20.941 19.000 -0.367 0.000 1.312 2305 A HN 1.279 nan 8.150 nan 0.000 0.414 2306 G N -0.584 108.097 108.800 -0.199 0.000 2.701 2306 G HA2 0.512 4.475 3.960 0.006 0.000 0.300 2306 G HA3 0.512 4.475 3.960 0.006 0.000 0.300 2306 G C -1.689 173.333 174.900 0.204 0.000 1.410 2306 G CA -0.349 44.776 45.100 0.041 0.000 1.014 2306 G HN 0.911 nan 8.290 nan 0.000 0.509 2307 Y N 3.114 123.647 120.300 0.387 0.000 2.327 2307 Y HA 0.491 5.046 4.550 0.007 0.000 0.336 2307 Y C 1.176 177.231 175.900 0.258 0.000 1.035 2307 Y CA 0.358 58.715 58.100 0.427 0.000 1.165 2307 Y CB 1.309 40.052 38.460 0.472 0.000 1.181 2307 Y HN 1.107 nan 8.280 nan 0.000 0.494 2308 S N 4.438 120.054 115.700 -0.140 0.000 4.159 2308 S HA -0.436 4.038 4.470 0.006 0.000 0.539 2308 S C 1.310 175.844 174.600 -0.111 0.000 1.863 2308 S CA 2.071 60.167 58.200 -0.173 0.000 4.247 2308 S CB -1.873 61.093 63.200 -0.389 0.000 0.246 2308 S HN 0.965 nan 8.310 nan 0.000 0.455 2309 Y N 2.632 122.831 120.300 -0.169 0.000 2.181 2309 Y HA 0.100 4.653 4.550 0.005 0.000 0.288 2309 Y C 2.505 178.345 175.900 -0.100 0.000 1.146 2309 Y CA 2.559 60.589 58.100 -0.118 0.000 1.164 2309 Y CB -1.060 37.438 38.460 0.064 0.000 0.982 2309 Y HN 0.514 nan 8.280 nan 0.000 0.515 2310 G N -0.364 108.487 108.800 0.085 0.000 2.479 2310 G HA2 -0.262 3.702 3.960 0.006 0.000 0.220 2310 G HA3 -0.262 3.702 3.960 0.006 0.000 0.220 2310 G C 1.747 176.625 174.900 -0.037 0.000 1.115 2310 G CA 0.807 45.911 45.100 0.006 0.000 0.757 2310 G HN 0.601 nan 8.290 nan 0.000 0.560 2311 A N -0.107 122.686 122.820 -0.045 0.000 1.930 2311 A HA -0.093 4.230 4.320 0.006 0.000 0.217 2311 A C 2.576 180.097 177.584 -0.105 0.000 1.175 2311 A CA 1.715 53.719 52.037 -0.055 0.000 0.627 2311 A CB -1.114 17.870 19.000 -0.026 0.000 0.815 2311 A HN 0.526 nan 8.150 nan 0.000 0.443 2312 C N -0.817 118.348 119.300 -0.226 0.000 2.446 2312 C HA -0.038 4.426 4.460 0.006 0.000 0.277 2312 C C 2.668 177.488 174.990 -0.284 0.000 1.275 2312 C CA 1.358 60.203 59.018 -0.287 0.000 1.727 2312 C CB -1.322 26.128 27.740 -0.483 0.000 2.010 2312 C HN 0.407 nan 8.230 nan 0.000 0.486 2313 V N 1.950 121.678 119.914 -0.310 0.000 2.307 2313 V HA -0.093 4.031 4.120 0.006 0.000 0.245 2313 V C 3.003 179.027 176.094 -0.117 0.000 1.045 2313 V CA 2.123 64.287 62.300 -0.227 0.000 1.024 2313 V CB -1.548 30.205 31.823 -0.116 0.000 0.651 2313 V HN 0.669 nan 8.190 nan 0.000 0.449 2314 A N -0.137 122.642 122.820 -0.069 0.000 1.908 2314 A HA -0.275 4.049 4.320 0.006 0.000 0.218 2314 A C 2.130 179.654 177.584 -0.099 0.000 1.181 2314 A CA 2.201 54.203 52.037 -0.059 0.000 0.627 2314 A CB -0.790 18.186 19.000 -0.041 0.000 0.818 2314 A HN 0.523 nan 8.150 nan 0.000 0.445 2315 F N 0.806 120.621 119.950 -0.225 0.000 2.095 2315 F HA -0.179 4.351 4.527 0.005 0.000 0.298 2315 F C 2.207 177.851 175.800 -0.261 0.000 1.104 2315 F CA 2.306 60.136 58.000 -0.283 0.000 1.232 2315 F CB -0.217 38.662 39.000 -0.202 0.000 0.987 2315 F HN 0.336 nan 8.300 nan 0.000 0.475 2316 E N 0.252 120.362 120.200 -0.149 0.000 2.106 2316 E HA -0.194 4.159 4.350 0.006 0.000 0.192 2316 E C 2.114 178.574 176.600 -0.235 0.000 0.984 2316 E CA 1.715 58.012 56.400 -0.172 0.000 0.806 2316 E CB -0.384 29.224 29.700 -0.153 0.000 0.750 2316 E HN 0.518 nan 8.360 nan 0.000 0.458 2317 M N -0.707 118.761 119.600 -0.219 0.000 2.108 2317 M HA -0.204 4.280 4.480 0.006 0.000 0.261 2317 M C 2.353 178.520 176.300 -0.220 0.000 1.066 2317 M CA 1.491 56.669 55.300 -0.204 0.000 1.107 2317 M CB -0.345 32.157 32.600 -0.164 0.000 1.356 2317 M HN 0.234 nan 8.290 nan 0.000 0.406 2318 C N -0.520 118.600 119.300 -0.300 0.000 2.467 2318 C HA -0.032 4.431 4.460 0.006 0.000 0.279 2318 C C 2.953 177.798 174.990 -0.242 0.000 1.347 2318 C CA 0.886 59.737 59.018 -0.278 0.000 1.748 2318 C CB -0.862 26.609 27.740 -0.449 0.000 1.977 2318 C HN 0.541 nan 8.230 nan 0.000 0.501 2319 S N 0.667 116.083 115.700 -0.473 0.000 2.368 2319 S HA -0.228 4.245 4.470 0.006 0.000 0.225 2319 S C 1.815 176.343 174.600 -0.119 0.000 1.030 2319 S CA 1.347 59.373 58.200 -0.289 0.000 0.999 2319 S CB -0.368 62.565 63.200 -0.445 0.000 0.844 2319 S HN 0.695 nan 8.310 nan 0.000 0.459 2320 Q N 0.510 120.231 119.800 -0.131 0.000 2.079 2320 Q HA 0.050 4.394 4.340 0.006 0.000 0.200 2320 Q C 2.163 178.131 176.000 -0.053 0.000 0.974 2320 Q CA 0.949 56.703 55.803 -0.082 0.000 0.840 2320 Q CB -0.322 28.337 28.738 -0.132 0.000 0.898 2320 Q HN 0.468 nan 8.270 nan 0.000 0.430 2321 L N 0.451 121.642 121.223 -0.053 0.000 2.083 2321 L HA -0.237 4.107 4.340 0.006 0.000 0.209 2321 L C 2.662 179.540 176.870 0.015 0.000 1.083 2321 L CA 1.276 56.113 54.840 -0.005 0.000 0.752 2321 L CB -0.468 41.608 42.059 0.030 0.000 0.899 2321 L HN 0.325 nan 8.230 nan 0.000 0.433 2322 Q N 0.263 120.077 119.800 0.023 0.000 2.084 2322 Q HA -0.240 4.103 4.340 0.006 0.000 0.202 2322 Q C 2.299 178.296 176.000 -0.004 0.000 0.978 2322 Q CA 1.836 57.647 55.803 0.013 0.000 0.844 2322 Q CB -0.073 28.681 28.738 0.027 0.000 0.898 2322 Q HN 0.521 nan 8.270 nan 0.000 0.426 2323 A N 0.709 123.525 122.820 -0.007 0.000 1.933 2323 A HA -0.217 4.107 4.320 0.006 0.000 0.218 2323 A C 1.901 179.488 177.584 0.005 0.000 1.175 2323 A CA 1.520 53.556 52.037 -0.001 0.000 0.628 2323 A CB -0.547 18.456 19.000 0.005 0.000 0.814 2323 A HN 0.543 nan 8.150 nan 0.000 0.444 2324 Q N -0.551 119.251 119.800 0.004 0.000 2.364 2324 Q HA -0.105 4.239 4.340 0.006 0.000 0.209 2324 Q C 0.637 176.641 176.000 0.006 0.000 0.977 2324 Q CA 0.793 56.600 55.803 0.007 0.000 0.885 2324 Q CB -0.005 28.737 28.738 0.006 0.000 0.941 2324 Q HN 0.730 nan 8.270 nan 0.000 0.464 2330 T N 0.245 114.589 114.554 -0.351 0.000 2.888 2330 T HA 0.445 4.799 4.350 0.006 0.000 0.284 2330 T C -0.205 174.231 174.700 -0.439 0.000 1.017 2330 T CA -0.205 61.709 62.100 -0.310 0.000 1.022 2330 T CB 0.867 69.671 68.868 -0.106 0.000 1.013 2330 T HN 0.272 nan 8.240 nan 0.000 0.465 2331 H N 2.033 121.107 119.070 0.006 0.000 2.528 2331 H HA 0.356 4.916 4.556 0.007 0.000 0.256 2331 H C 0.232 175.578 175.328 0.030 0.000 1.204 2331 H CA -0.781 55.270 56.048 0.006 0.000 0.955 2331 H CB 0.129 29.887 29.762 -0.006 0.000 1.817 2331 H HN 0.310 nan 8.280 nan 0.000 0.579 2332 N N 0.747 119.525 118.700 0.130 0.000 2.453 2332 N HA 0.073 4.816 4.740 0.006 0.000 0.253 2332 N C -0.106 175.475 175.510 0.117 0.000 1.252 2332 N CA 0.186 53.327 53.050 0.151 0.000 0.917 2332 N CB 1.207 39.803 38.487 0.181 0.000 1.117 2332 N HN 0.187 nan 8.380 nan 0.000 0.442 2333 S N 1.074 116.835 115.700 0.102 0.000 2.442 2333 S HA 0.442 4.916 4.470 0.006 0.000 0.297 2333 S C -0.506 174.034 174.600 -0.100 0.000 1.131 2333 S CA -0.616 57.566 58.200 -0.029 0.000 1.092 2333 S CB 0.749 63.992 63.200 0.071 0.000 0.998 2333 S HN 0.343 nan 8.310 nan 0.000 0.478 2334 L N 4.606 125.639 121.223 -0.317 0.000 2.372 2334 L HA 0.637 4.981 4.340 0.006 0.000 0.274 2334 L C -1.916 174.665 176.870 -0.482 0.000 0.988 2334 L CA -0.408 54.283 54.840 -0.249 0.000 0.833 2334 L CB 0.362 42.358 42.059 -0.104 0.000 1.236 2334 L HN 0.517 nan 8.230 nan 0.000 0.410 2335 F N 5.806 125.691 119.950 -0.108 0.000 2.402 2335 F HA 0.538 5.068 4.527 0.006 0.000 0.355 2335 F C -0.313 175.263 175.800 -0.373 0.000 1.123 2335 F CA -0.634 57.246 58.000 -0.200 0.000 1.021 2335 F CB 1.269 40.128 39.000 -0.234 0.000 1.160 2335 F HN 0.179 nan 8.300 nan 0.000 0.451 2336 L N 4.529 125.724 121.223 -0.046 0.000 2.272 2336 L HA 0.438 4.782 4.340 0.006 0.000 0.289 2336 L C -0.819 176.137 176.870 0.143 0.000 1.032 2336 L CA -0.445 54.376 54.840 -0.031 0.000 0.810 2336 L CB 0.782 42.873 42.059 0.053 0.000 1.205 2336 L HN 0.548 nan 8.230 nan 0.000 0.422 2337 F N 2.036 122.156 119.950 0.283 0.000 2.335 2337 F HA 0.121 4.652 4.527 0.006 0.000 0.365 2337 F C 0.663 176.684 175.800 0.369 0.000 1.122 2337 F CA -0.730 57.460 58.000 0.317 0.000 1.151 2337 F CB 0.624 39.841 39.000 0.362 0.000 1.282 2337 F HN 0.592 nan 8.300 nan 0.000 0.513 2338 D N 2.633 123.344 120.400 0.519 0.000 2.755 2338 D HA -0.127 4.516 4.640 0.006 0.000 0.227 2338 D C -0.028 176.516 176.300 0.407 0.000 1.211 2338 D CA 1.464 55.782 54.000 0.530 0.000 0.663 2338 D CB -0.601 40.496 40.800 0.495 0.000 0.983 2338 D HN 0.867 nan 8.370 nan 0.000 0.407 2339 G N -1.475 107.519 108.800 0.323 0.000 2.576 2339 G HA2 0.668 4.632 3.960 0.006 0.000 0.290 2339 G HA3 0.668 4.632 3.960 0.006 0.000 0.290 2339 G C -0.939 174.007 174.900 0.077 0.000 1.442 2339 G CA 0.096 45.224 45.100 0.046 0.000 0.792 2339 G HN 0.784 nan 8.290 nan 0.000 0.491 2340 S N -1.157 114.483 115.700 -0.099 0.000 2.790 2340 S HA 0.724 5.198 4.470 0.006 0.000 0.292 2340 S C -3.057 171.405 174.600 -0.229 0.000 1.197 2340 S CA -1.275 56.856 58.200 -0.115 0.000 0.851 2340 S CB 1.603 64.781 63.200 -0.037 0.000 1.217 2340 S HN 0.329 nan 8.310 nan 0.000 0.526 2341 P HA 0.131 nan 4.420 nan 0.000 0.191 2341 P C -0.723 176.483 177.300 -0.157 0.000 1.337 2341 P CA 0.896 63.884 63.100 -0.188 0.000 0.945 2341 P CB -1.173 30.401 31.700 -0.210 0.000 1.664 2342 T N 0.740 115.132 114.554 -0.271 0.000 2.829 2342 T HA 0.482 4.836 4.350 0.006 0.000 0.280 2342 T C -0.211 174.127 174.700 -0.603 0.000 0.999 2342 T CA -0.274 61.620 62.100 -0.344 0.000 0.983 2342 T CB 0.769 69.379 68.868 -0.430 0.000 0.968 2342 T HN -0.033 nan 8.240 nan 0.000 0.446 2362 E N 1.154 121.350 120.200 -0.007 0.000 2.060 2362 E HA 0.172 4.526 4.350 0.006 0.000 0.189 2362 E C 1.946 178.556 176.600 0.016 0.000 0.974 2362 E CA 1.212 57.616 56.400 0.006 0.000 0.808 2362 E CB -0.873 28.833 29.700 0.010 0.000 0.768 2362 E HN 0.705 nan 8.360 nan 0.000 0.453 2363 A N 1.780 124.610 122.820 0.017 0.000 1.933 2363 A HA -0.217 4.107 4.320 0.006 0.000 0.218 2363 A C 2.173 179.789 177.584 0.052 0.000 1.175 2363 A CA 1.709 53.760 52.037 0.025 0.000 0.628 2363 A CB -0.604 18.406 19.000 0.018 0.000 0.814 2363 A HN 0.376 nan 8.150 nan 0.000 0.444 2364 E N -0.728 119.495 120.200 0.038 0.000 2.051 2364 E HA -0.163 4.191 4.350 0.006 0.000 0.192 2364 E C 1.970 178.545 176.600 -0.043 0.000 0.991 2364 E CA 1.754 58.124 56.400 -0.050 0.000 0.799 2364 E CB -0.122 29.449 29.700 -0.214 0.000 0.748 2364 E HN 0.557 nan 8.360 nan 0.000 0.449 2365 T N 1.033 115.573 114.554 -0.024 0.000 2.777 2365 T HA -0.100 4.254 4.350 0.006 0.000 0.266 2365 T C 1.541 176.274 174.700 0.055 0.000 1.040 2365 T CA 1.018 63.118 62.100 -0.000 0.000 1.141 2365 T CB -0.139 68.725 68.868 -0.008 0.000 0.868 2365 T HN 0.122 nan 8.240 nan 0.000 0.444 2366 E N 1.029 121.274 120.200 0.075 0.000 2.268 2366 E HA 0.022 4.376 4.350 0.006 0.000 0.195 2366 E C 2.328 179.047 176.600 0.199 0.000 0.995 2366 E CA 0.780 57.260 56.400 0.133 0.000 0.836 2366 E CB -0.292 29.474 29.700 0.110 0.000 0.763 2366 E HN 0.517 nan 8.360 nan 0.000 0.491 2367 A N 1.091 124.010 122.820 0.165 0.000 1.855 2367 A HA -0.095 4.229 4.320 0.006 0.000 0.213 2367 A C 2.100 179.962 177.584 0.463 0.000 1.195 2367 A CA 0.722 52.907 52.037 0.247 0.000 0.610 2367 A CB -0.272 18.766 19.000 0.063 0.000 0.837 2367 A HN 0.105 nan 8.150 nan 0.000 0.444 2368 I N -0.130 120.603 120.570 0.272 0.000 2.315 2368 I HA -0.211 3.962 4.170 0.006 0.000 0.248 2368 I C 2.743 179.033 176.117 0.289 0.000 1.117 2368 I CA 0.852 62.302 61.300 0.250 0.000 1.404 2368 I CB -1.752 36.286 38.000 0.063 0.000 1.071 2368 I HN 0.523 nan 8.210 nan 0.000 0.419 2369 C N 0.713 120.135 119.300 0.205 0.000 2.413 2369 C HA -0.253 4.211 4.460 0.006 0.000 0.276 2369 C C 2.951 178.066 174.990 0.208 0.000 1.248 2369 C CA 0.655 59.754 59.018 0.134 0.000 1.742 2369 C CB -1.325 26.435 27.740 0.033 0.000 2.017 2369 C HN 0.507 nan 8.230 nan 0.000 0.481 2370 F N 0.307 120.373 119.950 0.193 0.000 2.134 2370 F HA -0.040 4.490 4.527 0.006 0.000 0.299 2370 F C 1.879 177.781 175.800 0.170 0.000 1.097 2370 F CA 2.048 60.167 58.000 0.198 0.000 1.264 2370 F CB -0.884 38.266 39.000 0.250 0.000 1.001 2370 F HN 0.324 nan 8.300 nan 0.000 0.479 2371 F N 0.569 120.633 119.950 0.191 0.000 2.063 2371 F HA -0.293 4.240 4.527 0.009 0.000 0.298 2371 F C 2.210 178.032 175.800 0.036 0.000 1.109 2371 F CA 2.322 60.325 58.000 0.004 0.000 1.212 2371 F CB -0.892 38.157 39.000 0.081 0.000 0.973 2371 F HN -0.160 nan 8.300 nan 0.000 0.480 2372 V N 0.274 120.292 119.914 0.173 0.000 2.332 2372 V HA -0.362 3.762 4.120 0.006 0.000 0.248 2372 V C 2.243 178.317 176.094 -0.034 0.000 1.055 2372 V CA 2.354 64.701 62.300 0.078 0.000 1.038 2372 V CB -0.896 30.984 31.823 0.095 0.000 0.651 2372 V HN 0.448 nan 8.190 nan 0.000 0.450 2373 Q N -0.796 118.939 119.800 -0.109 0.000 2.291 2373 Q HA -0.195 4.149 4.340 0.006 0.000 0.205 2373 Q C 2.276 178.108 176.000 -0.280 0.000 0.970 2373 Q CA 1.003 56.706 55.803 -0.166 0.000 0.876 2373 Q CB -0.106 28.532 28.738 -0.166 0.000 0.935 2373 Q HN 0.603 nan 8.270 nan 0.000 0.455 2374 Q N -1.049 118.494 119.800 -0.430 0.000 2.331 2374 Q HA -0.008 4.336 4.340 0.006 0.000 0.203 2374 Q C 1.071 176.723 176.000 -0.579 0.000 0.944 2374 Q CA 0.943 56.413 55.803 -0.555 0.000 0.892 2374 Q CB 0.218 28.517 28.738 -0.732 0.000 0.983 2374 Q HN 0.403 nan 8.270 nan 0.000 0.482 2375 F N 0.190 119.911 119.950 -0.381 0.000 2.717 2375 F HA 0.074 4.605 4.527 0.007 0.000 0.295 2375 F C 1.297 177.038 175.800 -0.098 0.000 1.117 2375 F CA 0.278 58.100 58.000 -0.296 0.000 1.361 2375 F CB 0.606 39.402 39.000 -0.341 0.000 1.112 2375 F HN -0.094 nan 8.300 nan 0.000 0.594 2376 T N -4.510 110.090 114.554 0.077 0.000 2.773 2376 T HA 0.304 4.658 4.350 0.006 0.000 0.278 2376 T C 0.155 174.868 174.700 0.022 0.000 1.011 2376 T CA -0.633 61.528 62.100 0.101 0.000 1.014 2376 T CB 1.783 70.697 68.868 0.076 0.000 1.293 2376 T HN -0.209 nan 8.240 nan 0.000 0.554 2377 D N -0.298 120.113 120.400 0.019 0.000 2.398 2377 D HA 0.204 4.848 4.640 0.006 0.000 0.210 2377 D C 0.558 176.857 176.300 -0.001 0.000 1.094 2377 D CA -0.138 53.861 54.000 -0.003 0.000 0.839 2377 D CB 0.183 40.982 40.800 -0.001 0.000 0.963 2377 D HN 0.483 nan 8.370 nan 0.000 0.506 2378 M N 1.560 121.162 119.600 0.002 0.000 2.248 2378 M HA -0.078 4.406 4.480 0.006 0.000 0.343 2378 M C 0.541 176.849 176.300 0.013 0.000 1.243 2378 M CA 0.555 55.857 55.300 0.004 0.000 1.025 2378 M CB 0.697 33.299 32.600 0.003 0.000 1.759 2378 M HN -0.178 nan 8.290 nan 0.000 0.452 2379 E N 2.924 123.137 120.200 0.022 0.000 2.392 2379 E HA -0.113 4.241 4.350 0.006 0.000 0.264 2379 E C 0.473 177.115 176.600 0.071 0.000 1.024 2379 E CA 0.192 56.622 56.400 0.050 0.000 0.903 2379 E CB 0.620 30.347 29.700 0.044 0.000 0.963 2379 E HN 0.822 nan 8.360 nan 0.000 0.432 2380 H N 4.818 123.899 119.070 0.018 0.000 2.362 2380 H HA -0.193 4.367 4.556 0.006 0.000 0.294 2380 H C 1.154 176.501 175.328 0.030 0.000 1.113 2380 H CA 2.712 58.779 56.048 0.031 0.000 1.253 2380 H CB 0.419 30.205 29.762 0.039 0.000 1.363 2380 H HN 0.465 nan 8.280 nan 0.000 0.494 2381 N N -0.028 118.752 118.700 0.133 0.000 2.409 2381 N HA -0.063 4.680 4.740 0.006 0.000 0.179 2381 N C 1.879 177.394 175.510 0.008 0.000 1.032 2381 N CA 0.776 53.877 53.050 0.085 0.000 0.898 2381 N CB -0.111 38.439 38.487 0.104 0.000 0.971 2381 N HN 0.397 nan 8.380 nan 0.000 0.441 2382 R N 0.339 120.839 120.500 0.000 0.000 2.100 2382 R HA 0.107 4.450 4.340 0.006 0.000 0.220 2382 R C 2.157 178.439 176.300 -0.030 0.000 1.091 2382 R CA 0.327 56.421 56.100 -0.010 0.000 0.986 2382 R CB -0.101 30.198 30.300 -0.000 0.000 0.888 2382 R HN -0.034 nan 8.270 nan 0.000 0.444 2383 V N 0.884 120.765 119.914 -0.056 0.000 2.295 2383 V HA -0.214 3.909 4.120 0.006 0.000 0.246 2383 V C 2.052 178.094 176.094 -0.087 0.000 1.049 2383 V CA 1.519 63.778 62.300 -0.068 0.000 1.024 2383 V CB -0.397 31.373 31.823 -0.089 0.000 0.648 2383 V HN 0.237 nan 8.190 nan 0.000 0.447 2384 L N -0.174 120.962 121.223 -0.145 0.000 2.201 2384 L HA -0.129 4.215 4.340 0.006 0.000 0.212 2384 L C 2.315 179.156 176.870 -0.048 0.000 1.105 2384 L CA 1.764 56.534 54.840 -0.118 0.000 0.775 2384 L CB -0.396 41.571 42.059 -0.155 0.000 0.913 2384 L HN 0.345 nan 8.230 nan 0.000 0.440 2385 E N -1.091 119.089 120.200 -0.034 0.000 2.158 2385 E HA -0.101 4.253 4.350 0.006 0.000 0.191 2385 E C 2.182 178.772 176.600 -0.017 0.000 0.982 2385 E CA 0.833 57.223 56.400 -0.016 0.000 0.823 2385 E CB -0.137 29.558 29.700 -0.008 0.000 0.766 2385 E HN 0.606 nan 8.360 nan 0.000 0.468 2386 A N 0.353 123.160 122.820 -0.022 0.000 1.968 2386 A HA -0.055 4.269 4.320 0.006 0.000 0.217 2386 A C 1.962 179.534 177.584 -0.021 0.000 1.169 2386 A CA 0.875 52.901 52.037 -0.018 0.000 0.638 2386 A CB -0.121 18.870 19.000 -0.015 0.000 0.812 2386 A HN 0.124 nan 8.150 nan 0.000 0.446 2387 L N -1.868 119.340 121.223 -0.026 0.000 2.362 2387 L HA 0.115 4.458 4.340 0.006 0.000 0.204 2387 L C 2.295 179.147 176.870 -0.029 0.000 1.060 2387 L CA 0.177 55.000 54.840 -0.028 0.000 0.827 2387 L CB -0.432 41.611 42.059 -0.027 0.000 1.027 2387 L HN 0.329 nan 8.230 nan 0.000 0.474 2388 L N 1.715 122.923 121.223 -0.025 0.000 2.042 2388 L HA -0.109 4.234 4.340 0.006 0.000 0.210 2388 L C -0.296 176.563 176.870 -0.019 0.000 1.076 2388 L CA 2.165 56.993 54.840 -0.020 0.000 0.749 2388 L CB -1.415 40.638 42.059 -0.010 0.000 0.893 2388 L HN 0.129 nan 8.230 nan 0.000 0.432 2389 P HA -0.115 nan 4.420 nan 0.000 0.226 2389 P C 0.729 178.017 177.300 -0.020 0.000 1.153 2389 P CA 0.695 63.785 63.100 -0.016 0.000 0.777 2389 P CB -0.051 31.642 31.700 -0.012 0.000 0.794 2390 L N -0.138 121.070 121.223 -0.026 0.000 2.482 2390 L HA 0.067 4.410 4.340 0.006 0.000 0.273 2390 L C 1.707 178.555 176.870 -0.037 0.000 1.228 2390 L CA 0.265 55.086 54.840 -0.031 0.000 0.827 2390 L CB 0.066 42.103 42.059 -0.037 0.000 1.099 2390 L HN -0.216 nan 8.230 nan 0.000 0.494 2391 K N -0.049 120.328 120.400 -0.037 0.000 2.373 2391 K HA 0.287 4.611 4.320 0.006 0.000 0.202 2391 K C 0.051 176.623 176.600 -0.047 0.000 1.025 2391 K CA -0.093 56.173 56.287 -0.036 0.000 1.115 2391 K CB 0.748 33.232 32.500 -0.026 0.000 0.858 2391 K HN 0.785 nan 8.250 nan 0.000 0.525 2392 G N -0.675 108.087 108.800 -0.064 0.000 2.550 2392 G HA2 0.097 4.060 3.960 0.006 0.000 0.293 2392 G HA3 0.097 4.060 3.960 0.006 0.000 0.293 2392 G C -0.478 174.345 174.900 -0.128 0.000 1.402 2392 G CA -0.816 44.233 45.100 -0.086 0.000 0.784 2392 G HN 0.011 nan 8.290 nan 0.000 0.482 2393 L N -0.031 121.079 121.223 -0.188 0.000 2.012 2393 L HA 0.025 4.369 4.340 0.006 0.000 0.210 2393 L C 2.434 179.203 176.870 -0.168 0.000 1.073 2393 L CA 2.507 57.184 54.840 -0.271 0.000 0.748 2393 L CB -0.334 41.464 42.059 -0.435 0.000 0.891 2393 L HN 0.581 nan 8.230 nan 0.000 0.431 2394 E N -0.097 120.043 120.200 -0.100 0.000 2.204 2394 E HA -0.208 4.146 4.350 0.006 0.000 0.194 2394 E C 2.125 178.693 176.600 -0.053 0.000 0.989 2394 E CA 1.189 57.555 56.400 -0.057 0.000 0.824 2394 E CB -0.098 29.588 29.700 -0.024 0.000 0.756 2394 E HN 0.683 nan 8.360 nan 0.000 0.477 2395 E N 0.281 120.447 120.200 -0.056 0.000 2.107 2395 E HA -0.094 4.259 4.350 0.006 0.000 0.191 2395 E C 2.184 178.754 176.600 -0.051 0.000 0.982 2395 E CA 0.529 56.901 56.400 -0.046 0.000 0.809 2395 E CB 0.019 29.694 29.700 -0.041 0.000 0.756 2395 E HN 0.114 nan 8.360 nan 0.000 0.459 2396 R N 0.256 120.713 120.500 -0.071 0.000 2.090 2396 R HA -0.070 4.274 4.340 0.006 0.000 0.228 2396 R C 2.416 178.677 176.300 -0.064 0.000 1.110 2396 R CA 0.794 56.853 56.100 -0.069 0.000 0.973 2396 R CB -0.190 30.054 30.300 -0.094 0.000 0.869 2396 R HN 0.026 nan 8.270 nan 0.000 0.440 2397 V N 1.044 120.906 119.914 -0.086 0.000 2.295 2397 V HA -0.266 3.858 4.120 0.006 0.000 0.246 2397 V C 2.418 178.479 176.094 -0.056 0.000 1.049 2397 V CA 2.070 64.316 62.300 -0.091 0.000 1.024 2397 V CB -0.692 31.074 31.823 -0.095 0.000 0.648 2397 V HN 0.418 nan 8.190 nan 0.000 0.447 2398 A N -0.112 122.684 122.820 -0.041 0.000 1.902 2398 A HA -0.105 4.219 4.320 0.006 0.000 0.217 2398 A C 2.401 179.974 177.584 -0.018 0.000 1.181 2398 A CA 2.080 54.102 52.037 -0.025 0.000 0.623 2398 A CB -0.767 18.221 19.000 -0.020 0.000 0.818 2398 A HN 0.578 nan 8.150 nan 0.000 0.443 2399 A N -0.283 122.525 122.820 -0.019 0.000 1.930 2399 A HA 0.221 4.545 4.320 0.006 0.000 0.217 2399 A C 2.461 180.045 177.584 0.000 0.000 1.175 2399 A CA 1.867 53.898 52.037 -0.011 0.000 0.627 2399 A CB -0.878 18.113 19.000 -0.015 0.000 0.815 2399 A HN 0.988 nan 8.150 nan 0.000 0.443 2400 A N -0.375 122.448 122.820 0.005 0.000 1.877 2400 A HA -0.004 4.320 4.320 0.006 0.000 0.216 2400 A C 2.208 179.816 177.584 0.039 0.000 1.186 2400 A CA 1.787 53.848 52.037 0.041 0.000 0.620 2400 A CB -0.963 18.074 19.000 0.061 0.000 0.822 2400 A HN 0.400 nan 8.150 nan 0.000 0.443 2401 V N 0.762 120.682 119.914 0.009 0.000 2.343 2401 V HA -0.264 3.860 4.120 0.006 0.000 0.247 2401 V C 2.197 178.291 176.094 0.001 0.000 1.051 2401 V CA 2.273 64.571 62.300 -0.003 0.000 1.036 2401 V CB -0.892 30.922 31.823 -0.014 0.000 0.654 2401 V HN 0.491 nan 8.190 nan 0.000 0.451 2402 D N 0.290 120.691 120.400 0.002 0.000 2.092 2402 D HA -0.146 4.498 4.640 0.006 0.000 0.193 2402 D C 2.174 178.478 176.300 0.008 0.000 0.994 2402 D CA 1.374 55.376 54.000 0.003 0.000 0.828 2402 D CB -0.293 40.506 40.800 -0.001 0.000 0.963 2402 D HN 0.346 nan 8.370 nan 0.000 0.450 2403 L N 0.500 121.731 121.223 0.012 0.000 2.083 2403 L HA -0.126 4.218 4.340 0.006 0.000 0.209 2403 L C 2.537 179.424 176.870 0.029 0.000 1.083 2403 L CA 0.689 55.539 54.840 0.017 0.000 0.752 2403 L CB -0.303 41.768 42.059 0.020 0.000 0.899 2403 L HN 0.030 nan 8.230 nan 0.000 0.433 2404 I N -0.659 119.933 120.570 0.035 0.000 2.353 2404 I HA -0.258 3.916 4.170 0.006 0.000 0.248 2404 I C 2.395 178.558 176.117 0.076 0.000 1.119 2404 I CA 0.892 62.227 61.300 0.059 0.000 1.417 2404 I CB -0.135 37.852 38.000 -0.020 0.000 1.078 2404 I HN 0.191 nan 8.210 nan 0.000 0.421 2405 I N 1.222 121.814 120.570 0.038 0.000 2.286 2405 I HA -0.223 3.951 4.170 0.006 0.000 0.245 2405 I C 2.389 178.519 176.117 0.022 0.000 1.104 2405 I CA 1.472 62.794 61.300 0.037 0.000 1.397 2405 I CB -0.807 37.204 38.000 0.018 0.000 1.072 2405 I HN 0.265 nan 8.210 nan 0.000 0.417 2406 K N 0.347 120.751 120.400 0.007 0.000 2.127 2406 K HA -0.188 4.136 4.320 0.006 0.000 0.208 2406 K C 2.192 178.764 176.600 -0.047 0.000 1.047 2406 K CA 1.728 58.007 56.287 -0.014 0.000 0.927 2406 K CB -0.221 32.271 32.500 -0.012 0.000 0.716 2406 K HN 0.149 nan 8.250 nan 0.000 0.450 2407 S N -0.803 114.864 115.700 -0.056 0.000 2.458 2407 S HA 0.014 4.488 4.470 0.006 0.000 0.223 2407 S C 0.169 174.495 174.600 -0.456 0.000 1.019 2407 S CA 0.266 58.343 58.200 -0.205 0.000 0.937 2407 S CB 0.189 63.319 63.200 -0.116 0.000 0.788 2407 S HN 0.292 nan 8.310 nan 0.000 0.511 2408 H N 0.887 119.966 119.070 0.016 0.000 2.699 2408 H HA 0.247 4.807 4.556 0.006 0.000 0.256 2408 H C -0.023 175.314 175.328 0.015 0.000 1.376 2408 H CA -0.383 55.678 56.048 0.022 0.000 1.549 2408 H CB 0.570 30.360 29.762 0.046 0.000 1.686 2408 H HN 0.184 nan 8.280 nan 0.000 0.550 2409 Q N 1.014 120.857 119.800 0.073 0.000 2.291 2409 Q HA -0.028 4.315 4.340 0.006 0.000 0.205 2409 Q C 1.823 177.855 176.000 0.053 0.000 0.970 2409 Q CA 0.940 56.771 55.803 0.047 0.000 0.876 2409 Q CB 0.190 28.940 28.738 0.019 0.000 0.935 2409 Q HN 0.678 nan 8.270 nan 0.000 0.455 2410 G N -0.060 108.783 108.800 0.073 0.000 3.088 2410 G HA2 0.179 4.143 3.960 0.006 0.000 0.212 2410 G HA3 0.179 4.143 3.960 0.006 0.000 0.212 2410 G C 0.439 175.373 174.900 0.057 0.000 1.173 2410 G CA -0.205 44.930 45.100 0.059 0.000 0.779 2410 G HN 0.102 nan 8.290 nan 0.000 0.540 2411 L N 0.763 122.025 121.223 0.065 0.000 2.326 2411 L HA 0.287 4.631 4.340 0.006 0.000 0.278 2411 L C -0.083 176.805 176.870 0.029 0.000 1.092 2411 L CA -0.930 53.938 54.840 0.047 0.000 0.810 2411 L CB 1.367 43.450 42.059 0.041 0.000 1.153 2411 L HN -0.005 nan 8.230 nan 0.000 0.439 2412 D N 1.440 121.857 120.400 0.028 0.000 2.425 2412 D HA 0.052 4.696 4.640 0.006 0.000 0.247 2412 D C 1.117 177.427 176.300 0.017 0.000 1.147 2412 D CA 0.032 54.046 54.000 0.024 0.000 0.879 2412 D CB 0.941 41.757 40.800 0.027 0.000 1.179 2412 D HN 0.362 nan 8.370 nan 0.000 0.456 2413 R N 2.102 122.611 120.500 0.015 0.000 2.075 2413 R HA -0.122 4.222 4.340 0.006 0.000 0.232 2413 R C 2.035 178.347 176.300 0.021 0.000 1.126 2413 R CA 1.111 57.218 56.100 0.010 0.000 0.963 2413 R CB -0.103 30.203 30.300 0.009 0.000 0.858 2413 R HN 0.643 nan 8.270 nan 0.000 0.435 2414 Q N 0.599 120.416 119.800 0.028 0.000 2.096 2414 Q HA -0.188 4.155 4.340 0.006 0.000 0.204 2414 Q C 1.903 177.952 176.000 0.082 0.000 0.982 2414 Q CA 1.485 57.314 55.803 0.043 0.000 0.850 2414 Q CB 0.017 28.769 28.738 0.023 0.000 0.901 2414 Q HN 0.467 nan 8.270 nan 0.000 0.422 2415 E N 0.503 120.749 120.200 0.076 0.000 2.072 2415 E HA -0.147 4.206 4.350 0.006 0.000 0.191 2415 E C 2.119 178.794 176.600 0.125 0.000 0.985 2415 E CA 0.734 57.209 56.400 0.124 0.000 0.801 2415 E CB -0.065 29.692 29.700 0.095 0.000 0.750 2415 E HN 0.323 nan 8.360 nan 0.000 0.452 2416 L N 0.601 121.849 121.223 0.040 0.000 2.046 2416 L HA -0.176 4.167 4.340 0.006 0.000 0.208 2416 L C 2.714 179.569 176.870 -0.025 0.000 1.077 2416 L CA 0.792 55.619 54.840 -0.022 0.000 0.747 2416 L CB -0.318 41.692 42.059 -0.082 0.000 0.896 2416 L HN 0.098 nan 8.230 nan 0.000 0.432 2417 S N -0.528 115.176 115.700 0.007 0.000 2.355 2417 S HA -0.200 4.274 4.470 0.006 0.000 0.222 2417 S C 1.909 176.523 174.600 0.022 0.000 1.031 2417 S CA 1.160 59.358 58.200 -0.003 0.000 0.993 2417 S CB -0.304 62.916 63.200 0.032 0.000 0.859 2417 S HN 0.400 nan 8.310 nan 0.000 0.453 2418 F N 2.411 122.342 119.950 -0.031 0.000 2.126 2418 F HA -0.029 4.501 4.527 0.005 0.000 0.299 2418 F C 2.176 177.968 175.800 -0.013 0.000 1.096 2418 F CA 1.280 59.276 58.000 -0.007 0.000 1.255 2418 F CB -0.881 38.126 39.000 0.012 0.000 0.997 2418 F HN 0.233 nan 8.300 nan 0.000 0.479 2419 A N 0.307 123.039 122.820 -0.148 0.000 1.897 2419 A HA 0.059 4.383 4.320 0.006 0.000 0.215 2419 A C 2.439 179.713 177.584 -0.516 0.000 1.181 2419 A CA 1.565 53.483 52.037 -0.197 0.000 0.620 2419 A CB -1.533 17.574 19.000 0.179 0.000 0.821 2419 A HN 0.491 nan 8.150 nan 0.000 0.443 2420 A N 0.001 122.299 122.820 -0.869 0.000 1.858 2420 A HA -0.183 4.140 4.320 0.006 0.000 0.216 2420 A C 2.258 179.564 177.584 -0.464 0.000 1.190 2420 A CA 1.938 53.236 52.037 -1.230 0.000 0.617 2420 A CB -0.556 17.928 19.000 -0.861 0.000 0.827 2420 A HN 0.559 nan 8.150 nan 0.000 0.443 2421 R N 0.258 120.593 120.500 -0.275 0.000 2.070 2421 R HA -0.154 4.190 4.340 0.006 0.000 0.233 2421 R C 2.511 178.837 176.300 0.044 0.000 1.137 2421 R CA 2.319 58.377 56.100 -0.070 0.000 0.945 2421 R CB -0.401 29.912 30.300 0.021 0.000 0.845 2421 R HN 0.632 nan 8.270 nan 0.000 0.430 2422 S N -0.312 115.284 115.700 -0.174 0.000 2.399 2422 S HA -0.190 4.283 4.470 0.006 0.000 0.231 2422 S C 1.898 176.496 174.600 -0.004 0.000 1.022 2422 S CA 1.048 59.160 58.200 -0.146 0.000 0.983 2422 S CB -0.696 62.094 63.200 -0.683 0.000 0.803 2422 S HN 0.502 nan 8.310 nan 0.000 0.480 2423 F N 1.409 121.248 119.950 -0.184 0.000 2.069 2423 F HA -0.159 4.373 4.527 0.008 0.000 0.298 2423 F C 2.372 178.129 175.800 -0.071 0.000 1.113 2423 F CA 1.739 59.678 58.000 -0.102 0.000 1.214 2423 F CB -0.594 38.374 39.000 -0.054 0.000 0.978 2423 F HN 0.264 nan 8.300 nan 0.000 0.474 2424 Y N 0.142 120.263 120.300 -0.298 0.000 2.114 2424 Y HA -0.379 4.172 4.550 0.001 0.000 0.282 2424 Y C 2.065 177.729 175.900 -0.393 0.000 1.165 2424 Y CA 2.209 60.048 58.100 -0.435 0.000 1.148 2424 Y CB -1.206 36.990 38.460 -0.440 0.000 0.972 2424 Y HN 0.227 nan 8.280 nan 0.000 0.504 2425 Y N 0.291 120.455 120.300 -0.227 0.000 2.293 2425 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 2425 Y C 2.391 178.169 175.900 -0.203 0.000 1.137 2425 Y CA 1.665 59.616 58.100 -0.249 0.000 1.202 2425 Y CB -0.229 38.199 38.460 -0.053 0.000 0.990 2425 Y HN 0.077 nan 8.280 nan 0.000 0.537 2426 K N 0.035 120.412 120.400 -0.039 0.000 2.097 2426 K HA -0.134 4.190 4.320 0.006 0.000 0.205 2426 K C 1.861 178.476 176.600 0.026 0.000 1.050 2426 K CA 1.233 57.519 56.287 -0.001 0.000 0.938 2426 K CB -0.253 32.099 32.500 -0.247 0.000 0.718 2426 K HN 0.285 nan 8.250 nan 0.000 0.442 2427 L N 0.534 121.610 121.223 -0.245 0.000 2.027 2427 L HA -0.139 4.205 4.340 0.006 0.000 0.206 2427 L C 2.736 179.483 176.870 -0.205 0.000 1.074 2427 L CA 1.144 55.828 54.840 -0.261 0.000 0.745 2427 L CB -0.417 41.329 42.059 -0.521 0.000 0.898 2427 L HN 0.180 nan 8.230 nan 0.000 0.433 2428 R N 0.608 120.885 120.500 -0.372 0.000 2.080 2428 R HA -0.232 4.112 4.340 0.006 0.000 0.236 2428 R C 2.331 178.582 176.300 -0.082 0.000 1.137 2428 R CA 1.789 57.709 56.100 -0.300 0.000 0.943 2428 R CB -0.392 29.608 30.300 -0.499 0.000 0.846 2428 R HN 0.328 nan 8.270 nan 0.000 0.431 2429 A N 0.876 123.692 122.820 -0.007 0.000 1.892 2429 A HA -0.216 4.108 4.320 0.006 0.000 0.218 2429 A C 2.441 180.086 177.584 0.101 0.000 1.188 2429 A CA 2.248 54.330 52.037 0.076 0.000 0.631 2429 A CB -1.034 18.039 19.000 0.122 0.000 0.822 2429 A HN 0.626 nan 8.150 nan 0.000 0.447 2430 A N -0.139 122.759 122.820 0.129 0.000 1.877 2430 A HA -0.216 4.107 4.320 0.006 0.000 0.216 2430 A C 2.096 179.762 177.584 0.136 0.000 1.186 2430 A CA 1.930 54.049 52.037 0.136 0.000 0.620 2430 A CB -0.663 18.498 19.000 0.269 0.000 0.822 2430 A HN 0.753 nan 8.150 nan 0.000 0.443 2431 E N -0.076 120.169 120.200 0.075 0.000 2.160 2431 E HA -0.262 4.091 4.350 0.006 0.000 0.195 2431 E C 1.544 178.168 176.600 0.039 0.000 0.991 2431 E CA 1.535 57.955 56.400 0.034 0.000 0.810 2431 E CB -0.214 29.467 29.700 -0.031 0.000 0.742 2431 E HN 0.784 nan 8.360 nan 0.000 0.466 2432 Q N -0.465 119.369 119.800 0.056 0.000 2.319 2432 Q HA 0.038 4.381 4.340 0.006 0.000 0.202 2432 Q C -0.552 175.504 176.000 0.094 0.000 0.896 2432 Q CA -0.316 55.519 55.803 0.053 0.000 0.942 2432 Q CB 0.288 29.050 28.738 0.041 0.000 1.083 2432 Q HN 0.253 nan 8.270 nan 0.000 0.510 2433 Y N 2.003 122.301 120.300 -0.004 0.000 2.316 2433 Y HA 0.215 4.768 4.550 0.004 0.000 0.331 2433 Y C -0.342 175.557 175.900 -0.002 0.000 1.083 2433 Y CA -0.258 57.842 58.100 -0.001 0.000 1.206 2433 Y CB 0.943 39.393 38.460 -0.016 0.000 1.195 2433 Y HN -0.123 nan 8.280 nan 0.000 0.497 2434 T N 5.693 119.841 114.554 -0.677 0.000 3.066 2434 T HA 0.417 4.771 4.350 0.006 0.000 0.318 2434 T C -3.041 171.260 174.700 -0.664 0.000 0.979 2434 T CA -2.032 59.736 62.100 -0.553 0.000 1.025 2434 T CB 1.186 69.912 68.868 -0.236 0.000 1.002 2434 T HN 0.375 nan 8.240 nan 0.000 0.453 2435 P HA 0.194 nan 4.420 nan 0.000 0.264 2435 P C 0.429 177.660 177.300 -0.115 0.000 1.193 2435 P CA -0.383 62.561 63.100 -0.259 0.000 0.763 2435 P CB 0.574 32.287 31.700 0.021 0.000 0.810 2436 K N 1.190 121.561 120.400 -0.047 0.000 2.372 2436 K HA 0.496 4.819 4.320 0.006 0.000 0.200 2436 K C 0.278 176.874 176.600 -0.007 0.000 1.022 2436 K CA 0.023 56.291 56.287 -0.032 0.000 1.125 2436 K CB 0.596 33.082 32.500 -0.023 0.000 0.855 2436 K HN 0.513 nan 8.250 nan 0.000 0.524 2437 A N 0.810 123.635 122.820 0.009 0.000 2.594 2437 A HA 0.362 4.686 4.320 0.006 0.000 0.296 2437 A C -1.215 176.382 177.584 0.020 0.000 1.056 2437 A CA -0.823 51.215 52.037 0.002 0.000 0.693 2437 A CB 1.049 20.034 19.000 -0.026 0.000 1.278 2437 A HN 0.019 nan 8.150 nan 0.000 0.408 2438 K N 0.796 121.197 120.400 0.002 0.000 2.350 2438 K HA 0.220 4.544 4.320 0.006 0.000 0.279 2438 K C -1.075 175.421 176.600 -0.173 0.000 1.027 2438 K CA 0.103 56.405 56.287 0.025 0.000 0.969 2438 K CB 0.595 33.146 32.500 0.086 0.000 0.954 2438 K HN 0.643 nan 8.250 nan 0.000 0.474 2439 Y N 3.105 123.331 120.300 -0.124 0.000 2.313 2439 Y HA 0.062 4.616 4.550 0.006 0.000 0.332 2439 Y C 0.839 176.667 175.900 -0.120 0.000 1.071 2439 Y CA 0.044 57.999 58.100 -0.242 0.000 1.169 2439 Y CB 0.585 38.943 38.460 -0.171 0.000 1.192 2439 Y HN 0.639 nan 8.280 nan 0.000 0.487 2440 H N 2.918 121.652 119.070 -0.561 0.000 2.553 2440 H HA 0.202 4.762 4.556 0.007 0.000 0.276 2440 H C 1.205 176.150 175.328 -0.640 0.000 0.979 2440 H CA 0.550 56.334 56.048 -0.440 0.000 1.268 2440 H CB -0.296 29.293 29.762 -0.288 0.000 1.450 2440 H HN 0.773 nan 8.280 nan 0.000 0.527 2441 G N 1.485 109.725 108.800 -0.934 0.000 2.716 2441 G HA2 -0.029 3.934 3.960 0.006 0.000 0.251 2441 G HA3 -0.029 3.934 3.960 0.006 0.000 0.251 2441 G C 0.131 174.913 174.900 -0.197 0.000 1.224 2441 G CA -0.505 44.227 45.100 -0.613 0.000 0.891 2441 G HN 0.226 nan 8.290 nan 0.000 0.561 2442 N N -0.762 117.932 118.700 -0.010 0.000 2.488 2442 N HA 0.326 5.070 4.740 0.006 0.000 0.274 2442 N C -0.423 175.151 175.510 0.107 0.000 1.111 2442 N CA -0.199 52.881 53.050 0.050 0.000 0.974 2442 N CB 1.871 40.364 38.487 0.010 0.000 1.089 2442 N HN 0.145 nan 8.380 nan 0.000 0.465 2443 V N 2.530 122.508 119.914 0.107 0.000 2.555 2443 V HA 0.426 4.550 4.120 0.006 0.000 0.302 2443 V C 0.021 176.106 176.094 -0.016 0.000 1.038 2443 V CA -0.790 61.551 62.300 0.069 0.000 0.887 2443 V CB 2.011 33.936 31.823 0.170 0.000 0.991 2443 V HN 0.610 nan 8.190 nan 0.000 0.434 2444 M N 5.515 125.053 119.600 -0.103 0.000 2.125 2444 M HA 0.511 4.995 4.480 0.006 0.000 0.321 2444 M C -1.505 174.811 176.300 0.026 0.000 0.983 2444 M CA -0.498 54.766 55.300 -0.061 0.000 0.934 2444 M CB 1.075 33.596 32.600 -0.132 0.000 1.542 2444 M HN 0.577 nan 8.290 nan 0.000 0.424 2445 L N 6.196 127.453 121.223 0.058 0.000 2.290 2445 L HA 0.399 4.743 4.340 0.006 0.000 0.284 2445 L C -1.399 175.553 176.870 0.137 0.000 1.078 2445 L CA -0.441 54.453 54.840 0.089 0.000 0.815 2445 L CB 0.957 43.029 42.059 0.022 0.000 1.162 2445 L HN 0.800 nan 8.230 nan 0.000 0.435 2446 L N 5.916 127.273 121.223 0.224 0.000 2.387 2446 L HA 0.379 4.723 4.340 0.006 0.000 0.259 2446 L C -0.144 176.873 176.870 0.246 0.000 1.050 2446 L CA -0.395 54.600 54.840 0.258 0.000 0.922 2446 L CB 0.793 43.078 42.059 0.377 0.000 1.280 2446 L HN 0.571 nan 8.230 nan 0.000 0.449 2447 R N 1.561 122.143 120.500 0.137 0.000 2.404 2447 R HA 0.830 5.173 4.340 0.006 0.000 0.291 2447 R C 0.015 176.400 176.300 0.142 0.000 1.025 2447 R CA -0.605 55.572 56.100 0.128 0.000 0.991 2447 R CB 1.016 31.215 30.300 -0.169 0.000 1.053 2447 R HN 0.366 nan 8.270 nan 0.000 0.479 2448 A N 2.188 125.130 122.820 0.204 0.000 2.407 2448 A HA 0.096 4.420 4.320 0.006 0.000 0.248 2448 A C 0.960 178.618 177.584 0.124 0.000 1.082 2448 A CA -0.432 51.700 52.037 0.158 0.000 0.785 2448 A CB 0.592 19.706 19.000 0.190 0.000 1.020 2448 A HN 1.036 nan 8.150 nan 0.000 0.489 2449 K N 0.989 121.441 120.400 0.088 0.000 1.985 2449 K HA -0.084 4.240 4.320 0.006 0.000 0.210 2449 K C 0.639 177.285 176.600 0.076 0.000 1.047 2449 K CA 1.828 58.155 56.287 0.067 0.000 0.932 2449 K CB -0.331 32.197 32.500 0.047 0.000 0.716 2449 K HN 0.774 nan 8.250 nan 0.000 0.439 2460 A N -0.013 122.804 122.820 -0.003 0.000 1.968 2460 A HA 0.168 4.492 4.320 0.006 0.000 0.217 2460 A C 1.629 179.123 177.584 -0.149 0.000 1.169 2460 A CA 2.434 54.433 52.037 -0.065 0.000 0.638 2460 A CB -0.425 18.553 19.000 -0.037 0.000 0.812 2460 A HN 0.689 nan 8.150 nan 0.000 0.446 2461 D N -2.938 117.415 120.400 -0.078 0.000 2.342 2461 D HA -0.004 4.639 4.640 0.006 0.000 0.221 2461 D C 0.013 176.311 176.300 -0.004 0.000 1.101 2461 D CA -0.436 53.519 54.000 -0.075 0.000 0.837 2461 D CB -1.048 39.747 40.800 -0.009 0.000 0.938 2461 D HN 0.575 nan 8.370 nan 0.000 0.508 2462 Y N 0.164 120.467 120.300 0.004 0.000 3.589 2462 Y HA -0.379 4.175 4.550 0.007 0.000 0.218 2462 Y C 0.416 176.289 175.900 -0.046 0.000 1.234 2462 Y CA 0.178 58.267 58.100 -0.018 0.000 1.576 2462 Y CB -2.374 36.072 38.460 -0.023 0.000 1.487 2462 Y HN 0.169 nan 8.280 nan 0.000 0.616 2463 N N -0.324 118.438 118.700 0.103 0.000 2.747 2463 N HA -0.233 4.510 4.740 0.006 0.000 0.249 2463 N C 0.439 175.944 175.510 -0.008 0.000 1.107 2463 N CA 1.085 54.155 53.050 0.034 0.000 0.707 2463 N CB -1.076 37.420 38.487 0.015 0.000 1.054 2463 N HN 0.675 nan 8.380 nan 0.000 0.555 2464 L N -0.721 120.502 121.223 -0.001 0.000 2.478 2464 L HA -0.021 4.323 4.340 0.006 0.000 0.223 2464 L C 2.100 178.977 176.870 0.013 0.000 1.140 2464 L CA 1.182 56.003 54.840 -0.031 0.000 0.842 2464 L CB -0.280 41.775 42.059 -0.007 0.000 0.953 2464 L HN 0.481 nan 8.230 nan 0.000 0.452 2465 S N -1.182 114.531 115.700 0.023 0.000 2.428 2465 S HA -0.128 4.346 4.470 0.006 0.000 0.230 2465 S C 1.761 176.384 174.600 0.040 0.000 1.014 2465 S CA 0.337 58.560 58.200 0.038 0.000 0.957 2465 S CB -0.059 63.160 63.200 0.031 0.000 0.784 2465 S HN 0.399 nan 8.310 nan 0.000 0.499 2466 Q N 1.121 120.934 119.800 0.022 0.000 2.432 2466 Q HA 0.178 4.522 4.340 0.006 0.000 0.205 2466 Q C 2.091 178.113 176.000 0.036 0.000 0.945 2466 Q CA 1.097 56.913 55.803 0.021 0.000 0.924 2466 Q CB -0.127 28.612 28.738 0.001 0.000 1.016 2466 Q HN 0.770 nan 8.270 nan 0.000 0.503 2467 V N -4.457 115.484 119.914 0.046 0.000 3.556 2467 V HA 0.377 4.500 4.120 0.006 0.000 0.287 2467 V C 0.490 176.745 176.094 0.269 0.000 1.422 2467 V CA -0.494 61.876 62.300 0.116 0.000 1.038 2467 V CB 0.624 32.437 31.823 -0.017 0.000 0.850 2467 V HN 0.167 nan 8.190 nan 0.000 0.437 2468 C N 0.735 120.161 119.300 0.210 0.000 2.686 2468 C HA 0.607 5.070 4.460 0.006 0.000 0.318 2468 C C 0.687 175.778 174.990 0.168 0.000 1.160 2468 C CA -0.119 59.059 59.018 0.266 0.000 1.396 2468 C CB 1.748 29.698 27.740 0.350 0.000 1.924 2468 C HN 0.514 nan 8.230 nan 0.000 0.471 2469 D N 2.876 123.373 120.400 0.162 0.000 2.214 2469 D HA 0.131 4.774 4.640 0.006 0.000 0.217 2469 D C 1.366 177.712 176.300 0.077 0.000 0.973 2469 D CA 0.934 55.003 54.000 0.115 0.000 0.880 2469 D CB -0.662 40.214 40.800 0.128 0.000 1.031 2469 D HN 0.807 nan 8.370 nan 0.000 0.468 2470 G N 1.037 109.873 108.800 0.060 0.000 2.771 2470 G HA2 -0.048 3.916 3.960 0.006 0.000 0.242 2470 G HA3 -0.048 3.916 3.960 0.006 0.000 0.242 2470 G C -0.213 174.715 174.900 0.048 0.000 1.233 2470 G CA -0.394 44.722 45.100 0.028 0.000 0.858 2470 G HN 0.067 nan 8.290 nan 0.000 0.591 2471 K N -0.007 120.414 120.400 0.035 0.000 2.258 2471 K HA 0.075 4.398 4.320 0.006 0.000 0.266 2471 K C -0.174 176.457 176.600 0.053 0.000 1.204 2471 K CA -0.124 56.188 56.287 0.041 0.000 1.206 2471 K CB 0.101 32.621 32.500 0.035 0.000 0.854 2471 K HN 0.116 nan 8.250 nan 0.000 0.453 2472 V N 3.716 123.667 119.914 0.061 0.000 2.352 2472 V HA -0.023 4.101 4.120 0.006 0.000 0.253 2472 V C 0.527 176.659 176.094 0.064 0.000 1.083 2472 V CA -0.345 61.993 62.300 0.064 0.000 0.993 2472 V CB 0.139 32.001 31.823 0.065 0.000 1.111 2472 V HN 0.743 nan 8.190 nan 0.000 0.490 2473 S N 4.996 120.739 115.700 0.070 0.000 2.489 2473 S HA 0.548 5.021 4.470 0.006 0.000 0.277 2473 S C -0.571 174.119 174.600 0.151 0.000 1.230 2473 S CA -0.573 57.700 58.200 0.123 0.000 1.053 2473 S CB 1.646 64.936 63.200 0.150 0.000 0.955 2473 S HN 0.569 nan 8.310 nan 0.000 0.488 2474 V N 5.043 125.066 119.914 0.181 0.000 2.357 2474 V HA 0.527 4.651 4.120 0.006 0.000 0.284 2474 V C -1.528 174.735 176.094 0.281 0.000 1.018 2474 V CA -0.436 61.963 62.300 0.165 0.000 0.841 2474 V CB 0.849 32.692 31.823 0.033 0.000 0.991 2474 V HN 1.059 nan 8.190 nan 0.000 0.437 2475 H N 3.862 122.955 119.070 0.039 0.000 2.492 2475 H HA 0.648 5.208 4.556 0.006 0.000 0.345 2475 H C -0.377 174.972 175.328 0.034 0.000 1.136 2475 H CA -0.545 55.530 56.048 0.045 0.000 1.202 2475 H CB 2.067 31.875 29.762 0.077 0.000 1.524 2475 H HN 0.503 nan 8.280 nan 0.000 0.506 2476 V N 4.735 124.712 119.914 0.106 0.000 2.427 2476 V HA 0.240 4.364 4.120 0.006 0.000 0.286 2476 V C -0.091 176.049 176.094 0.076 0.000 1.034 2476 V CA -0.606 61.736 62.300 0.070 0.000 0.893 2476 V CB 1.131 32.971 31.823 0.029 0.000 0.982 2476 V HN 0.548 nan 8.190 nan 0.000 0.452 2477 I N 3.131 123.748 120.570 0.078 0.000 2.404 2477 I HA 0.419 4.592 4.170 0.006 0.000 0.293 2477 I C 0.227 176.369 176.117 0.042 0.000 0.992 2477 I CA -0.922 60.413 61.300 0.058 0.000 1.149 2477 I CB 1.668 39.701 38.000 0.054 0.000 1.315 2477 I HN 0.614 nan 8.210 nan 0.000 0.446 2478 E N 3.276 123.490 120.200 0.023 0.000 2.414 2478 E HA 0.457 4.811 4.350 0.006 0.000 0.263 2478 E C 0.339 176.948 176.600 0.015 0.000 1.000 2478 E CA 1.026 57.436 56.400 0.017 0.000 0.914 2478 E CB 0.562 30.265 29.700 0.005 0.000 0.948 2478 E HN 0.884 nan 8.360 nan 0.000 0.444 2479 G N 3.361 112.177 108.800 0.027 0.000 2.408 2479 G HA2 -0.012 3.952 3.960 0.006 0.000 0.682 2479 G HA3 -0.012 3.952 3.960 0.006 0.000 0.682 2479 G C -1.060 173.876 174.900 0.060 0.000 1.303 2479 G CA -0.417 44.700 45.100 0.029 0.000 0.966 2479 G HN 0.683 nan 8.290 nan 0.000 0.560 2480 D N -1.643 118.799 120.400 0.071 0.000 2.529 2480 D HA 0.414 5.057 4.640 0.006 0.000 0.273 2480 D C 1.274 177.672 176.300 0.163 0.000 1.197 2480 D CA -0.065 54.007 54.000 0.120 0.000 1.070 2480 D CB 0.220 41.089 40.800 0.115 0.000 1.134 2480 D HN 0.634 nan 8.370 nan 0.000 0.590 2481 H N -0.662 118.489 119.070 0.135 0.000 2.466 2481 H HA -0.097 4.463 4.556 0.006 0.000 0.297 2481 H C 1.818 177.296 175.328 0.249 0.000 1.113 2481 H CA 2.098 58.263 56.048 0.195 0.000 1.273 2481 H CB 0.326 30.186 29.762 0.164 0.000 1.371 2481 H HN 0.275 nan 8.280 nan 0.000 0.528 2482 R N -1.350 119.214 120.500 0.107 0.000 2.105 2482 R HA 0.019 4.362 4.340 0.006 0.000 0.214 2482 R C 2.111 178.380 176.300 -0.052 0.000 1.091 2482 R CA 1.300 57.422 56.100 0.036 0.000 1.007 2482 R CB 0.151 30.497 30.300 0.077 0.000 0.912 2482 R HN 0.482 nan 8.270 nan 0.000 0.450 2483 T N -0.204 114.339 114.554 -0.018 0.000 3.113 2483 T HA 0.020 4.374 4.350 0.006 0.000 0.256 2483 T C 1.880 176.537 174.700 -0.072 0.000 1.131 2483 T CA 0.218 62.290 62.100 -0.046 0.000 1.074 2483 T CB -0.249 68.609 68.868 -0.016 0.000 0.944 2483 T HN 0.286 nan 8.240 nan 0.000 0.516 2484 L N -1.097 120.083 121.223 -0.071 0.000 2.362 2484 L HA 0.309 4.652 4.340 0.006 0.000 0.219 2484 L C 1.578 178.338 176.870 -0.183 0.000 1.134 2484 L CA 1.178 55.967 54.840 -0.085 0.000 0.807 2484 L CB -0.552 41.494 42.059 -0.021 0.000 0.927 2484 L HN 0.194 nan 8.230 nan 0.000 0.447 2485 L N -0.089 120.984 121.223 -0.250 0.000 2.769 2485 L HA 0.395 4.738 4.340 0.006 0.000 0.240 2485 L C 0.125 176.862 176.870 -0.222 0.000 1.163 2485 L CA -0.197 54.453 54.840 -0.316 0.000 0.962 2485 L CB 0.055 41.833 42.059 -0.469 0.000 1.258 2485 L HN 0.259 nan 8.230 nan 0.000 0.513 2486 E N -0.701 119.402 120.200 -0.162 0.000 2.410 2486 E HA 0.529 4.883 4.350 0.006 0.000 0.269 2486 E C 0.412 176.953 176.600 -0.097 0.000 0.937 2486 E CA 0.151 56.479 56.400 -0.119 0.000 0.793 2486 E CB 1.706 31.350 29.700 -0.093 0.000 1.314 2486 E HN 0.074 nan 8.360 nan 0.000 0.447 2487 G N 1.174 109.925 108.800 -0.081 0.000 2.672 2487 G HA2 -0.398 3.565 3.960 0.006 0.000 0.324 2487 G HA3 -0.398 3.565 3.960 0.006 0.000 0.324 2487 G C 1.097 175.956 174.900 -0.068 0.000 1.286 2487 G CA 0.926 45.987 45.100 -0.065 0.000 1.004 2487 G HN 0.445 nan 8.290 nan 0.000 0.548 2488 S N 0.954 116.623 115.700 -0.052 0.000 2.402 2488 S HA 0.011 4.485 4.470 0.006 0.000 0.229 2488 S C 2.506 177.075 174.600 -0.052 0.000 1.021 2488 S CA 1.968 60.140 58.200 -0.046 0.000 0.974 2488 S CB -0.722 62.460 63.200 -0.030 0.000 0.800 2488 S HN 1.342 nan 8.310 nan 0.000 0.484 2489 G N 2.152 110.917 108.800 -0.058 0.000 2.433 2489 G HA2 -0.182 3.782 3.960 0.006 0.000 0.216 2489 G HA3 -0.182 3.782 3.960 0.006 0.000 0.216 2489 G C 1.369 176.206 174.900 -0.105 0.000 1.186 2489 G CA 0.970 46.031 45.100 -0.066 0.000 0.779 2489 G HN 0.408 nan 8.290 nan 0.000 0.543 2490 L N 0.838 121.981 121.223 -0.133 0.000 1.978 2490 L HA -0.133 4.211 4.340 0.006 0.000 0.218 2490 L C 2.698 179.472 176.870 -0.160 0.000 1.075 2490 L CA 2.510 57.246 54.840 -0.173 0.000 0.767 2490 L CB -0.849 41.112 42.059 -0.163 0.000 0.890 2490 L HN 0.404 nan 8.230 nan 0.000 0.434 2491 E N -0.800 119.326 120.200 -0.124 0.000 2.118 2491 E HA -0.224 4.130 4.350 0.006 0.000 0.195 2491 E C 2.107 178.641 176.600 -0.110 0.000 0.992 2491 E CA 1.542 57.872 56.400 -0.117 0.000 0.804 2491 E CB -0.180 29.470 29.700 -0.084 0.000 0.741 2491 E HN 0.778 nan 8.360 nan 0.000 0.458 2492 S N 0.448 116.098 115.700 -0.083 0.000 2.414 2492 S HA -0.052 4.422 4.470 0.006 0.000 0.227 2492 S C 2.037 176.603 174.600 -0.056 0.000 1.022 2492 S CA 0.336 58.507 58.200 -0.049 0.000 0.958 2492 S CB -0.261 62.930 63.200 -0.015 0.000 0.797 2492 S HN 0.145 nan 8.310 nan 0.000 0.493 2493 I N 1.391 121.899 120.570 -0.103 0.000 2.179 2493 I HA -0.135 4.038 4.170 0.006 0.000 0.242 2493 I C 2.298 178.309 176.117 -0.177 0.000 1.088 2493 I CA 1.264 62.484 61.300 -0.133 0.000 1.357 2493 I CB -0.333 37.515 38.000 -0.254 0.000 1.051 2493 I HN 0.249 nan 8.210 nan 0.000 0.409 2494 I N -0.071 120.352 120.570 -0.244 0.000 2.208 2494 I HA -0.325 3.849 4.170 0.006 0.000 0.245 2494 I C 2.612 178.470 176.117 -0.431 0.000 1.097 2494 I CA 1.358 62.421 61.300 -0.396 0.000 1.363 2494 I CB -0.306 37.433 38.000 -0.435 0.000 1.051 2494 I HN 0.109 nan 8.210 nan 0.000 0.413 2495 S N 0.428 115.987 115.700 -0.235 0.000 2.382 2495 S HA -0.090 4.384 4.470 0.006 0.000 0.228 2495 S C 1.985 176.584 174.600 -0.001 0.000 1.027 2495 S CA 1.236 59.377 58.200 -0.100 0.000 0.991 2495 S CB -0.283 62.894 63.200 -0.038 0.000 0.823 2495 S HN 0.327 nan 8.310 nan 0.000 0.469 2496 I N 0.994 121.568 120.570 0.006 0.000 2.315 2496 I HA -0.138 4.036 4.170 0.006 0.000 0.248 2496 I C 1.947 178.106 176.117 0.070 0.000 1.117 2496 I CA 1.002 62.341 61.300 0.066 0.000 1.404 2496 I CB -0.322 37.719 38.000 0.068 0.000 1.071 2496 I HN 0.245 nan 8.210 nan 0.000 0.419 2497 I N 0.102 120.650 120.570 -0.037 0.000 2.179 2497 I HA -0.333 3.841 4.170 0.006 0.000 0.242 2497 I C 2.479 178.659 176.117 0.104 0.000 1.088 2497 I CA 1.629 62.856 61.300 -0.122 0.000 1.357 2497 I CB -0.630 37.191 38.000 -0.298 0.000 1.051 2497 I HN 0.283 nan 8.210 nan 0.000 0.409 2498 H N -0.302 118.746 119.070 -0.037 0.000 2.421 2498 H HA -0.139 4.420 4.556 0.006 0.000 0.298 2498 H C 2.477 177.821 175.328 0.026 0.000 1.087 2498 H CA 1.424 57.466 56.048 -0.010 0.000 1.330 2498 H CB 0.172 29.922 29.762 -0.019 0.000 1.388 2498 H HN 0.400 nan 8.280 nan 0.000 0.526 2499 S N -0.442 115.359 115.700 0.168 0.000 2.470 2499 S HA -0.027 4.447 4.470 0.006 0.000 0.222 2499 S C 2.151 176.827 174.600 0.127 0.000 1.024 2499 S CA 0.484 58.758 58.200 0.124 0.000 0.931 2499 S CB 0.192 63.459 63.200 0.112 0.000 0.791 2499 S HN 0.142 nan 8.310 nan 0.000 0.513 2500 S N 2.013 117.815 115.700 0.171 0.000 2.382 2500 S HA 0.193 4.667 4.470 0.006 0.000 0.228 2500 S C 0.990 175.700 174.600 0.184 0.000 1.027 2500 S CA 0.634 58.953 58.200 0.198 0.000 0.991 2500 S CB -0.546 62.855 63.200 0.336 0.000 0.823 2500 S HN 0.450 nan 8.310 nan 0.000 0.469 2501 L N 0.000 121.339 121.223 0.194 0.000 2.949 2501 L HA 0.000 4.344 4.340 0.006 0.000 0.249 2501 L CA 0.000 54.930 54.840 0.150 0.000 0.813 2501 L CB 0.000 42.139 42.059 0.134 0.000 0.961 2501 L HN 0.000 nan 8.230 nan 0.000 0.502