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 1xkt_1_A DATA FIRST_RESID 2217 DATA SEQUENCE VNLRSLLVNP EGPTLMRLNS VQSSERPLFL VHPIEGSTTV FHSLASRLSI DATA SEQUENCE PTYGLQCTRA APLDSIHSLA AYYIDCIRQV QPEGPYRVAG YSYGACVAFE DATA SEQUENCE MCSQLQAQXX XXXXHNSLFL FDGSPTYXXX XXXXXXXXXX PGCEAEAETE DATA SEQUENCE AICFFVQQFT DMEHNRVLEA LLPLKGLEER VAAAVDLIIK SHQGLDRQEL DATA SEQUENCE SFAARSFYYK LRAAEQYTPK AKYYGNVMLL RAKTGXXXXX XLGADYNLSQ DATA SEQUENCE VCDGKVSVHV IEGDHRTLLE XSGLESIISI IHSSLA 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 2217 V HA 0.000 nan 4.120 nan 0.000 0.244 2217 V C 0.000 176.040 176.094 -0.091 0.000 1.182 2217 V CA 0.000 62.253 62.300 -0.079 0.000 1.235 2217 V CB 0.000 31.765 31.823 -0.097 0.000 1.184 2218 N N 0.337 118.964 118.700 -0.121 0.000 2.381 2218 N HA 0.013 4.753 4.740 0.001 0.000 0.182 2218 N C 1.458 176.859 175.510 -0.182 0.000 1.025 2218 N CA 1.532 54.502 53.050 -0.134 0.000 0.888 2218 N CB -0.353 38.046 38.487 -0.146 0.000 0.965 2218 N HN 0.550 nan 8.380 nan 0.000 0.438 2219 L N 1.207 122.290 121.223 -0.233 0.000 2.156 2219 L HA -0.004 4.336 4.340 0.001 0.000 0.208 2219 L C 2.195 179.029 176.870 -0.060 0.000 1.095 2219 L CA 1.170 55.833 54.840 -0.295 0.000 0.770 2219 L CB -0.299 41.540 42.059 -0.368 0.000 0.914 2219 L HN 0.035 nan 8.230 nan 0.000 0.439 2220 R N -0.801 119.684 120.500 -0.025 0.000 2.280 2220 R HA -0.000 4.340 4.340 0.001 0.000 0.207 2220 R C 1.776 178.104 176.300 0.047 0.000 1.043 2220 R CA 1.045 57.171 56.100 0.043 0.000 1.006 2220 R CB -0.320 29.997 30.300 0.027 0.000 0.885 2220 R HN 0.466 nan 8.270 nan 0.000 0.467 2221 S N -0.404 115.298 115.700 0.003 0.000 2.577 2221 S HA 0.157 4.627 4.470 0.001 0.000 0.219 2221 S C 1.406 176.018 174.600 0.019 0.000 0.962 2221 S CA -0.151 58.048 58.200 -0.000 0.000 0.921 2221 S CB 0.105 63.279 63.200 -0.044 0.000 0.789 2221 S HN 0.199 nan 8.310 nan 0.000 0.497 2222 L N 0.155 121.412 121.223 0.056 0.000 2.693 2222 L HA 0.425 4.765 4.340 0.001 0.000 0.235 2222 L C -0.642 176.382 176.870 0.256 0.000 1.127 2222 L CA -0.075 54.838 54.840 0.122 0.000 0.914 2222 L CB 0.256 42.331 42.059 0.027 0.000 1.193 2222 L HN 0.269 nan 8.230 nan 0.000 0.502 2223 L N 0.382 121.736 121.223 0.219 0.000 2.334 2223 L HA 0.564 4.904 4.340 0.001 0.000 0.273 2223 L C -0.104 176.871 176.870 0.175 0.000 1.013 2223 L CA -0.817 54.162 54.840 0.232 0.000 0.816 2223 L CB 1.907 44.097 42.059 0.219 0.000 1.278 2223 L HN -0.239 nan 8.230 nan 0.000 0.431 2224 V N 0.145 120.177 119.914 0.197 0.000 3.074 2224 V HA 0.590 4.711 4.120 0.001 0.000 0.314 2224 V C -0.316 175.841 176.094 0.105 0.000 1.117 2224 V CA -0.948 61.441 62.300 0.149 0.000 1.014 2224 V CB 1.953 33.876 31.823 0.167 0.000 1.057 2224 V HN 0.871 nan 8.190 nan 0.000 0.438 2225 N N 3.039 121.769 118.700 0.050 0.000 2.401 2225 N HA 0.317 5.058 4.740 0.001 0.000 0.255 2225 N C -1.815 173.631 175.510 -0.106 0.000 1.110 2225 N CA -1.423 51.622 53.050 -0.008 0.000 0.949 2225 N CB 1.635 40.126 38.487 0.007 0.000 1.110 2225 N HN 0.542 nan 8.380 nan 0.000 0.490 2226 P HA -0.100 nan 4.420 nan 0.000 0.221 2226 P C -0.069 177.032 177.300 -0.332 0.000 1.145 2226 P CA 1.217 63.960 63.100 -0.595 0.000 0.795 2226 P CB 0.290 31.523 31.700 -0.777 0.000 0.775 2227 E N -1.269 118.828 120.200 -0.172 0.000 2.481 2227 E HA 0.214 4.565 4.350 0.001 0.000 0.198 2227 E C 1.214 177.791 176.600 -0.038 0.000 1.027 2227 E CA -0.163 56.181 56.400 -0.093 0.000 0.900 2227 E CB -0.483 29.177 29.700 -0.065 0.000 0.993 2227 E HN 0.103 nan 8.360 nan 0.000 0.482 2228 G N 2.341 111.124 108.800 -0.029 0.000 2.667 2228 G HA2 0.220 4.181 3.960 0.001 0.000 0.250 2228 G HA3 0.220 4.181 3.960 0.001 0.000 0.250 2228 G C -2.145 172.780 174.900 0.042 0.000 1.212 2228 G CA -0.924 44.186 45.100 0.016 0.000 0.874 2228 G HN -0.020 nan 8.290 nan 0.000 0.561 2229 P HA 0.187 nan 4.420 nan 0.000 0.277 2229 P C 0.564 177.924 177.300 0.101 0.000 1.240 2229 P CA -0.219 62.929 63.100 0.081 0.000 0.798 2229 P CB 1.476 33.224 31.700 0.079 0.000 0.979 2230 T N 0.931 115.556 114.554 0.118 0.000 2.732 2230 T HA -0.030 4.320 4.350 0.001 0.000 0.261 2230 T C 0.764 175.497 174.700 0.055 0.000 1.040 2230 T CA 1.004 63.177 62.100 0.122 0.000 1.145 2230 T CB -0.363 68.605 68.868 0.167 0.000 0.866 2230 T HN 0.204 nan 8.240 nan 0.000 0.427 2231 L N 3.677 124.925 121.223 0.041 0.000 2.257 2231 L HA 0.475 4.815 4.340 0.001 0.000 0.290 2231 L C -0.412 176.562 176.870 0.175 0.000 1.044 2231 L CA -0.389 54.494 54.840 0.072 0.000 0.810 2231 L CB 0.488 42.540 42.059 -0.011 0.000 1.193 2231 L HN 0.256 nan 8.230 nan 0.000 0.425 2232 M N 3.659 123.404 119.600 0.240 0.000 2.326 2232 M HA 0.540 5.021 4.480 0.001 0.000 0.306 2232 M C -0.611 175.830 176.300 0.235 0.000 1.054 2232 M CA -0.930 54.506 55.300 0.227 0.000 0.922 2232 M CB 1.754 34.447 32.600 0.155 0.000 1.632 2232 M HN 0.553 nan 8.290 nan 0.000 0.436 2233 R N 2.257 122.823 120.500 0.110 0.000 2.570 2233 R HA 0.274 4.614 4.340 0.001 0.000 0.277 2233 R C -0.023 176.167 176.300 -0.183 0.000 1.039 2233 R CA 0.242 56.142 56.100 -0.333 0.000 1.065 2233 R CB 0.500 30.584 30.300 -0.358 0.000 0.964 2233 R HN 1.002 nan 8.270 nan 0.000 0.428 2234 L N 3.016 124.100 121.223 -0.232 0.000 2.590 2234 L HA 0.230 4.570 4.340 0.001 0.000 0.227 2234 L C -0.185 176.602 176.870 -0.138 0.000 1.099 2234 L CA -0.215 54.565 54.840 -0.101 0.000 0.872 2234 L CB -0.175 41.886 42.059 0.002 0.000 1.088 2234 L HN 0.729 nan 8.230 nan 0.000 0.479 2235 N N -3.350 115.233 118.700 -0.194 0.000 2.591 2235 N HA 0.146 4.886 4.740 0.001 0.000 0.263 2235 N C 0.004 175.421 175.510 -0.155 0.000 1.308 2235 N CA -0.464 52.495 53.050 -0.153 0.000 0.837 2235 N CB 0.990 39.402 38.487 -0.125 0.000 1.548 2235 N HN -0.302 nan 8.380 nan 0.000 0.493 2236 S N -0.340 115.295 115.700 -0.108 0.000 2.343 2236 S HA -0.065 4.405 4.470 0.001 0.000 0.219 2236 S C 0.225 174.776 174.600 -0.082 0.000 1.033 2236 S CA 0.870 59.018 58.200 -0.086 0.000 1.014 2236 S CB -0.508 62.656 63.200 -0.061 0.000 0.915 2236 S HN 0.572 nan 8.310 nan 0.000 0.435 2237 V N 4.131 124.002 119.914 -0.072 0.000 3.597 2237 V HA -0.188 3.933 4.120 0.001 0.000 0.272 2237 V C 1.152 177.216 176.094 -0.049 0.000 1.171 2237 V CA 0.491 62.757 62.300 -0.057 0.000 1.229 2237 V CB -0.736 31.048 31.823 -0.065 0.000 0.726 2237 V HN 0.495 nan 8.190 nan 0.000 0.370 2238 Q N 2.095 121.876 119.800 -0.031 0.000 2.488 2238 Q HA 0.007 4.347 4.340 0.001 0.000 0.211 2238 Q C 1.540 177.535 176.000 -0.008 0.000 0.967 2238 Q CA 0.796 56.588 55.803 -0.018 0.000 0.926 2238 Q CB -0.121 28.610 28.738 -0.012 0.000 0.992 2238 Q HN 0.894 nan 8.270 nan 0.000 0.506 2239 S N 1.360 117.054 115.700 -0.011 0.000 2.615 2239 S HA -0.120 4.351 4.470 0.001 0.000 0.261 2239 S C 1.109 175.714 174.600 0.007 0.000 1.401 2239 S CA 0.925 59.123 58.200 -0.003 0.000 0.993 2239 S CB 0.349 63.545 63.200 -0.005 0.000 0.851 2239 S HN 0.509 nan 8.310 nan 0.000 0.526 2240 S N -0.087 115.619 115.700 0.010 0.000 2.603 2240 S HA 0.329 4.800 4.470 0.001 0.000 0.232 2240 S C 0.045 174.656 174.600 0.018 0.000 1.016 2240 S CA -0.600 57.610 58.200 0.017 0.000 0.976 2240 S CB -0.090 63.119 63.200 0.014 0.000 0.921 2240 S HN 0.742 nan 8.310 nan 0.000 0.516 2241 E N 1.903 122.110 120.200 0.013 0.000 2.409 2241 E HA 0.236 4.587 4.350 0.001 0.000 0.257 2241 E C -0.202 176.405 176.600 0.012 0.000 1.150 2241 E CA -0.409 55.998 56.400 0.011 0.000 0.942 2241 E CB 0.495 30.199 29.700 0.008 0.000 0.979 2241 E HN 0.318 nan 8.360 nan 0.000 0.447 2242 R N 2.102 122.609 120.500 0.011 0.000 2.489 2242 R HA 0.106 4.447 4.340 0.001 0.000 0.287 2242 R C -2.135 174.150 176.300 -0.025 0.000 1.053 2242 R CA -1.255 54.855 56.100 0.016 0.000 1.036 2242 R CB -0.241 30.071 30.300 0.020 0.000 0.966 2242 R HN 0.298 nan 8.270 nan 0.000 0.432 2243 P HA 0.046 nan 4.420 nan 0.000 0.274 2243 P C -1.113 175.933 177.300 -0.424 0.000 1.256 2243 P CA -0.533 62.421 63.100 -0.244 0.000 0.795 2243 P CB 0.543 32.084 31.700 -0.265 0.000 1.038 2244 L N 1.457 122.414 121.223 -0.443 0.000 2.305 2244 L HA 0.516 4.857 4.340 0.001 0.000 0.284 2244 L C -1.452 175.145 176.870 -0.455 0.000 1.013 2244 L CA -0.290 54.335 54.840 -0.358 0.000 0.819 2244 L CB 0.002 41.903 42.059 -0.264 0.000 1.227 2244 L HN 0.120 nan 8.230 nan 0.000 0.417 2245 F N 5.772 125.717 119.950 -0.008 0.000 2.404 2245 F HA 0.498 5.025 4.527 0.001 0.000 0.354 2245 F C -0.226 175.490 175.800 -0.141 0.000 1.122 2245 F CA -0.580 57.396 58.000 -0.040 0.000 1.080 2245 F CB 1.047 40.008 39.000 -0.066 0.000 1.131 2245 F HN 0.217 nan 8.300 nan 0.000 0.471 2246 L N 4.823 126.009 121.223 -0.061 0.000 2.265 2246 L HA 0.503 4.844 4.340 0.001 0.000 0.289 2246 L C -0.597 176.213 176.870 -0.100 0.000 1.033 2246 L CA -0.935 53.683 54.840 -0.370 0.000 0.814 2246 L CB 1.165 42.604 42.059 -1.033 0.000 1.203 2246 L HN 0.311 nan 8.230 nan 0.000 0.423 2247 V N 2.389 122.313 119.914 0.017 0.000 2.432 2247 V HA 0.124 4.244 4.120 0.001 0.000 0.275 2247 V C 0.202 176.500 176.094 0.340 0.000 1.043 2247 V CA -0.784 61.570 62.300 0.090 0.000 0.925 2247 V CB 0.626 32.442 31.823 -0.010 0.000 0.985 2247 V HN 0.802 nan 8.190 nan 0.000 0.466 2248 H N 6.234 125.609 119.070 0.508 0.000 2.983 2248 H HA 0.244 4.800 4.556 0.000 0.000 0.361 2248 H C -2.419 173.122 175.328 0.354 0.000 1.145 2248 H CA -1.317 54.988 56.048 0.429 0.000 1.404 2248 H CB -0.398 29.534 29.762 0.284 0.000 1.356 2248 H HN 0.410 nan 8.280 nan 0.000 0.612 2249 P HA 0.001 nan 4.420 nan 0.000 0.307 2249 P C 1.120 178.604 177.300 0.306 0.000 1.306 2249 P CA -0.495 62.726 63.100 0.202 0.000 0.742 2249 P CB 1.147 32.900 31.700 0.089 0.000 1.349 2250 I N 0.251 120.890 120.570 0.115 0.000 2.454 2250 I HA -0.201 3.969 4.170 0.001 0.000 0.254 2250 I C 1.983 178.121 176.117 0.034 0.000 1.156 2250 I CA 1.385 62.585 61.300 -0.167 0.000 1.433 2250 I CB -0.259 37.621 38.000 -0.199 0.000 1.082 2250 I HN 0.336 nan 8.210 nan 0.000 0.432 2251 E N 0.675 120.980 120.200 0.174 0.000 2.516 2251 E HA -0.073 4.278 4.350 0.001 0.000 0.199 2251 E C 1.591 178.274 176.600 0.139 0.000 1.069 2251 E CA 0.938 57.462 56.400 0.207 0.000 0.876 2251 E CB -0.304 29.518 29.700 0.202 0.000 0.843 2251 E HN 0.563 nan 8.360 nan 0.000 0.530 2252 G N 1.399 110.252 108.800 0.090 0.000 2.234 2252 G HA2 -0.352 3.608 3.960 0.001 0.000 0.260 2252 G HA3 -0.352 3.608 3.960 0.001 0.000 0.260 2252 G C 0.477 175.387 174.900 0.017 0.000 0.987 2252 G CA 0.691 45.705 45.100 -0.145 0.000 0.625 2252 G HN 0.658 nan 8.290 nan 0.000 0.532 2253 S N -0.280 115.493 115.700 0.121 0.000 2.616 2253 S HA 0.621 5.092 4.470 0.001 0.000 0.277 2253 S C 0.905 175.575 174.600 0.118 0.000 1.234 2253 S CA 0.631 58.898 58.200 0.112 0.000 1.028 2253 S CB 1.756 64.995 63.200 0.065 0.000 0.988 2253 S HN 1.159 nan 8.310 nan 0.000 0.522 2254 T N -1.963 112.666 114.554 0.124 0.000 3.244 2254 T HA 0.172 4.523 4.350 0.001 0.000 0.254 2254 T C 1.146 175.774 174.700 -0.120 0.000 1.024 2254 T CA -0.163 62.044 62.100 0.178 0.000 0.920 2254 T CB -0.636 68.462 68.868 0.383 0.000 1.042 2254 T HN 0.567 nan 8.240 nan 0.000 0.572 2255 T N 2.589 116.956 114.554 -0.311 0.000 2.746 2255 T HA -0.114 4.236 4.350 0.001 0.000 0.267 2255 T C 2.262 176.620 174.700 -0.570 0.000 1.039 2255 T CA 1.795 63.490 62.100 -0.674 0.000 1.142 2255 T CB -0.498 68.171 68.868 -0.333 0.000 0.866 2255 T HN 0.578 nan 8.240 nan 0.000 0.444 2256 V N -0.721 118.936 119.914 -0.428 0.000 2.688 2256 V HA -0.059 4.062 4.120 0.001 0.000 0.256 2256 V C 1.787 177.661 176.094 -0.366 0.000 1.084 2256 V CA 1.500 63.539 62.300 -0.434 0.000 1.103 2256 V CB -1.425 30.065 31.823 -0.555 0.000 0.688 2256 V HN 0.522 nan 8.190 nan 0.000 0.480 2257 F N -0.112 119.761 119.950 -0.128 0.000 2.797 2257 F HA 0.227 4.754 4.527 0.001 0.000 0.302 2257 F C 2.229 178.056 175.800 0.045 0.000 1.130 2257 F CA 0.429 58.398 58.000 -0.052 0.000 1.387 2257 F CB -0.547 38.476 39.000 0.038 0.000 1.107 2257 F HN 0.253 nan 8.300 nan 0.000 0.577 2258 H N -0.894 118.226 119.070 0.084 0.000 2.326 2258 H HA -0.136 4.420 4.556 0.001 0.000 0.301 2258 H C 2.328 177.655 175.328 -0.002 0.000 1.081 2258 H CA 1.162 57.231 56.048 0.034 0.000 1.334 2258 H CB 0.087 29.855 29.762 0.010 0.000 1.385 2258 H HN 0.125 nan 8.280 nan 0.000 0.504 2259 S N 0.955 116.716 115.700 0.103 0.000 2.351 2259 S HA -0.162 4.308 4.470 0.001 0.000 0.220 2259 S C 2.181 176.778 174.600 -0.005 0.000 1.035 2259 S CA 1.199 59.412 58.200 0.022 0.000 1.031 2259 S CB -0.430 62.758 63.200 -0.021 0.000 0.928 2259 S HN 0.211 nan 8.310 nan 0.000 0.433 2260 L N 2.136 123.345 121.223 -0.024 0.000 2.013 2260 L HA -0.145 4.195 4.340 0.001 0.000 0.212 2260 L C 2.280 179.113 176.870 -0.061 0.000 1.073 2260 L CA 2.247 57.045 54.840 -0.069 0.000 0.753 2260 L CB -1.172 40.821 42.059 -0.110 0.000 0.890 2260 L HN 0.250 nan 8.230 nan 0.000 0.432 2261 A N -0.786 122.023 122.820 -0.018 0.000 1.902 2261 A HA -0.191 4.129 4.320 0.001 0.000 0.217 2261 A C 2.469 180.022 177.584 -0.051 0.000 1.181 2261 A CA 2.095 54.105 52.037 -0.046 0.000 0.623 2261 A CB -1.176 17.819 19.000 -0.009 0.000 0.818 2261 A HN 0.723 nan 8.150 nan 0.000 0.443 2262 S N -0.555 115.126 115.700 -0.032 0.000 2.382 2262 S HA -0.130 4.341 4.470 0.001 0.000 0.228 2262 S C 1.619 176.203 174.600 -0.027 0.000 1.027 2262 S CA 1.234 59.410 58.200 -0.039 0.000 0.991 2262 S CB -0.311 62.869 63.200 -0.035 0.000 0.823 2262 S HN 0.516 nan 8.310 nan 0.000 0.469 2263 R N 0.291 120.780 120.500 -0.018 0.000 2.978 2263 R HA 0.437 4.778 4.340 0.001 0.000 0.298 2263 R C -1.322 175.010 176.300 0.053 0.000 1.296 2263 R CA -0.241 55.866 56.100 0.011 0.000 1.181 2263 R CB -0.211 30.094 30.300 0.008 0.000 1.348 2263 R HN 0.282 nan 8.270 nan 0.000 0.585 2264 L N -0.107 121.129 121.223 0.020 0.000 2.386 2264 L HA 0.241 4.582 4.340 0.001 0.000 0.271 2264 L C 0.953 177.880 176.870 0.096 0.000 0.993 2264 L CA 0.019 54.870 54.840 0.019 0.000 0.819 2264 L CB 2.178 44.148 42.059 -0.148 0.000 1.294 2264 L HN 0.046 nan 8.230 nan 0.000 0.414 2265 S N 2.914 118.795 115.700 0.301 0.000 2.593 2265 S HA 0.232 4.702 4.470 0.001 0.000 0.217 2265 S C 0.394 175.031 174.600 0.062 0.000 0.966 2265 S CA -0.185 58.103 58.200 0.148 0.000 0.914 2265 S CB -0.847 62.420 63.200 0.111 0.000 0.776 2265 S HN 0.457 nan 8.310 nan 0.000 0.523 2266 I N -1.786 118.793 120.570 0.016 0.000 2.846 2266 I HA 0.616 4.787 4.170 0.001 0.000 0.307 2266 I C -2.966 173.099 176.117 -0.086 0.000 1.053 2266 I CA -3.368 57.911 61.300 -0.034 0.000 1.050 2266 I CB 1.746 39.716 38.000 -0.050 0.000 1.239 2266 I HN -0.276 nan 8.210 nan 0.000 0.439 2267 P HA 0.084 nan 4.420 nan 0.000 0.271 2267 P C -0.480 176.697 177.300 -0.205 0.000 1.233 2267 P CA 0.329 63.342 63.100 -0.145 0.000 0.764 2267 P CB 0.583 32.241 31.700 -0.071 0.000 0.825 2268 T N 1.632 116.016 114.554 -0.284 0.000 2.841 2268 T HA 0.585 4.935 4.350 0.001 0.000 0.283 2268 T C -0.805 173.693 174.700 -0.336 0.000 1.000 2268 T CA -0.565 61.376 62.100 -0.266 0.000 0.977 2268 T CB 0.729 69.471 68.868 -0.209 0.000 0.979 2268 T HN 0.158 nan 8.240 nan 0.000 0.446 2269 Y N 0.698 120.877 120.300 -0.202 0.000 2.567 2269 Y HA 0.756 5.306 4.550 0.001 0.000 0.333 2269 Y C 0.876 176.786 175.900 0.017 0.000 1.106 2269 Y CA -0.670 57.408 58.100 -0.037 0.000 1.157 2269 Y CB 2.281 40.795 38.460 0.091 0.000 1.277 2269 Y HN 1.123 nan 8.280 nan 0.000 0.490 2270 G N 1.127 110.087 108.800 0.268 0.000 2.542 2270 G HA2 0.657 4.617 3.960 0.001 0.000 0.311 2270 G HA3 0.657 4.617 3.960 0.001 0.000 0.311 2270 G C -1.937 173.077 174.900 0.190 0.000 1.298 2270 G CA -0.788 44.446 45.100 0.223 0.000 0.973 2270 G HN 0.498 nan 8.290 nan 0.000 0.487 2271 L N 1.810 123.110 121.223 0.128 0.000 2.298 2271 L HA 0.440 4.781 4.340 0.001 0.000 0.284 2271 L C 0.253 177.218 176.870 0.158 0.000 1.013 2271 L CA -0.743 54.065 54.840 -0.054 0.000 0.824 2271 L CB 1.750 43.532 42.059 -0.461 0.000 1.221 2271 L HN 0.730 nan 8.230 nan 0.000 0.418 2272 Q N 2.002 121.880 119.800 0.129 0.000 2.297 2272 Q HA 0.453 4.793 4.340 0.001 0.000 0.268 2272 Q C -0.941 175.113 176.000 0.090 0.000 1.045 2272 Q CA -0.834 55.053 55.803 0.140 0.000 0.861 2272 Q CB 2.350 31.167 28.738 0.131 0.000 1.344 2272 Q HN 0.545 nan 8.270 nan 0.000 0.452 2273 C N 3.330 122.561 119.300 -0.116 0.000 2.225 2273 C HA 0.580 5.040 4.460 0.001 0.000 0.328 2273 C C 0.356 175.492 174.990 0.244 0.000 1.187 2273 C CA 0.249 59.313 59.018 0.077 0.000 1.665 2273 C CB -0.784 26.860 27.740 -0.160 0.000 2.253 2273 C HN 0.855 nan 8.230 nan 0.000 0.497 2274 T N 2.429 117.141 114.554 0.264 0.000 2.919 2274 T HA 0.359 4.709 4.350 0.001 0.000 0.282 2274 T C 1.230 176.026 174.700 0.159 0.000 1.020 2274 T CA -0.663 61.511 62.100 0.124 0.000 0.994 2274 T CB 0.720 69.603 68.868 0.025 0.000 1.180 2274 T HN 0.681 nan 8.240 nan 0.000 0.566 2275 R N -0.286 120.079 120.500 -0.225 0.000 2.200 2275 R HA -0.048 4.293 4.340 0.001 0.000 0.234 2275 R C 2.246 178.549 176.300 0.004 0.000 1.127 2275 R CA 1.311 57.383 56.100 -0.047 0.000 0.989 2275 R CB -0.932 29.229 30.300 -0.232 0.000 0.869 2275 R HN 0.774 nan 8.270 nan 0.000 0.459 2276 A N 0.654 123.459 122.820 -0.025 0.000 2.015 2276 A HA 0.135 4.456 4.320 0.001 0.000 0.219 2276 A C 1.049 178.433 177.584 -0.333 0.000 1.163 2276 A CA 0.910 52.879 52.037 -0.114 0.000 0.646 2276 A CB -0.259 18.735 19.000 -0.009 0.000 0.806 2276 A HN 0.420 nan 8.150 nan 0.000 0.448 2277 A N 1.520 124.249 122.820 -0.153 0.000 2.454 2277 A HA 0.510 4.830 4.320 0.001 0.000 0.260 2277 A C -2.287 175.174 177.584 -0.204 0.000 1.106 2277 A CA -1.259 50.634 52.037 -0.240 0.000 0.780 2277 A CB -0.178 18.915 19.000 0.155 0.000 1.044 2277 A HN 0.303 nan 8.150 nan 0.000 0.498 2278 P HA 0.227 nan 4.420 nan 0.000 0.282 2278 P C -0.514 176.703 177.300 -0.138 0.000 1.262 2278 P CA -0.161 62.824 63.100 -0.191 0.000 0.773 2278 P CB 1.138 32.726 31.700 -0.187 0.000 0.879 2279 L N 3.224 124.362 121.223 -0.141 0.000 2.910 2279 L HA 0.110 4.450 4.340 0.001 0.000 0.252 2279 L C 1.362 178.149 176.870 -0.139 0.000 1.195 2279 L CA 0.673 55.444 54.840 -0.115 0.000 1.003 2279 L CB -0.785 41.219 42.059 -0.092 0.000 1.328 2279 L HN 0.290 nan 8.230 nan 0.000 0.540 2280 D N -1.516 118.801 120.400 -0.138 0.000 2.264 2280 D HA -0.038 4.603 4.640 0.001 0.000 0.208 2280 D C 0.771 177.046 176.300 -0.042 0.000 0.966 2280 D CA 0.976 54.910 54.000 -0.110 0.000 0.864 2280 D CB 0.173 40.917 40.800 -0.093 0.000 0.933 2280 D HN 0.233 nan 8.370 nan 0.000 0.499 2281 S N -1.861 113.826 115.700 -0.022 0.000 2.597 2281 S HA 0.237 4.707 4.470 0.001 0.000 0.274 2281 S C 0.271 174.855 174.600 -0.026 0.000 1.132 2281 S CA -0.932 57.291 58.200 0.037 0.000 0.835 2281 S CB 0.373 63.668 63.200 0.158 0.000 1.092 2281 S HN -0.118 nan 8.310 nan 0.000 0.457 2282 I N 1.570 122.067 120.570 -0.122 0.000 2.335 2282 I HA -0.136 4.034 4.170 0.001 0.000 0.251 2282 I C 2.225 178.129 176.117 -0.355 0.000 1.129 2282 I CA 1.925 62.997 61.300 -0.380 0.000 1.402 2282 I CB -2.084 35.392 38.000 -0.873 0.000 1.069 2282 I HN 0.802 nan 8.210 nan 0.000 0.424 2283 H N 0.415 119.425 119.070 -0.100 0.000 2.293 2283 H HA -0.088 4.469 4.556 0.001 0.000 0.300 2283 H C 2.550 177.840 175.328 -0.064 0.000 1.082 2283 H CA 1.914 57.939 56.048 -0.039 0.000 1.308 2283 H CB -0.502 29.281 29.762 0.036 0.000 1.375 2283 H HN 0.183 nan 8.280 nan 0.000 0.495 2284 S N 0.455 116.192 115.700 0.063 0.000 2.356 2284 S HA -0.143 4.328 4.470 0.001 0.000 0.223 2284 S C 2.148 176.712 174.600 -0.060 0.000 1.032 2284 S CA 1.166 59.366 58.200 -0.000 0.000 1.005 2284 S CB -0.406 62.780 63.200 -0.024 0.000 0.867 2284 S HN 0.189 nan 8.310 nan 0.000 0.449 2285 L N 1.911 123.054 121.223 -0.134 0.000 2.042 2285 L HA -0.073 4.267 4.340 0.001 0.000 0.210 2285 L C 2.341 178.977 176.870 -0.389 0.000 1.076 2285 L CA 1.953 56.625 54.840 -0.279 0.000 0.749 2285 L CB -1.047 40.848 42.059 -0.273 0.000 0.893 2285 L HN 0.257 nan 8.230 nan 0.000 0.432 2286 A N -0.692 121.982 122.820 -0.243 0.000 1.898 2286 A HA -0.048 4.272 4.320 0.001 0.000 0.216 2286 A C 2.446 179.974 177.584 -0.094 0.000 1.181 2286 A CA 1.662 53.602 52.037 -0.162 0.000 0.620 2286 A CB -1.167 17.742 19.000 -0.152 0.000 0.819 2286 A HN 0.557 nan 8.150 nan 0.000 0.442 2287 A N -1.429 121.359 122.820 -0.053 0.000 1.933 2287 A HA -0.126 4.194 4.320 0.001 0.000 0.218 2287 A C 2.138 179.726 177.584 0.007 0.000 1.175 2287 A CA 1.771 53.798 52.037 -0.016 0.000 0.628 2287 A CB -0.754 18.256 19.000 0.018 0.000 0.814 2287 A HN 0.789 nan 8.150 nan 0.000 0.444 2288 Y N -1.016 119.224 120.300 -0.100 0.000 2.220 2288 Y HA -0.188 4.362 4.550 0.000 0.000 0.291 2288 Y C 2.113 178.041 175.900 0.046 0.000 1.129 2288 Y CA 1.428 59.494 58.100 -0.056 0.000 1.161 2288 Y CB -0.642 37.760 38.460 -0.097 0.000 0.997 2288 Y HN 0.435 nan 8.280 nan 0.000 0.522 2289 Y N -0.344 119.769 120.300 -0.311 0.000 2.224 2289 Y HA -0.251 4.299 4.550 0.000 0.000 0.289 2289 Y C 2.487 178.135 175.900 -0.419 0.000 1.146 2289 Y CA 0.846 58.706 58.100 -0.399 0.000 1.182 2289 Y CB -0.156 38.192 38.460 -0.187 0.000 0.983 2289 Y HN 0.129 nan 8.280 nan 0.000 0.524 2290 I N 0.026 120.491 120.570 -0.174 0.000 2.286 2290 I HA -0.318 3.852 4.170 0.001 0.000 0.248 2290 I C 1.689 177.626 176.117 -0.301 0.000 1.115 2290 I CA 1.198 62.324 61.300 -0.289 0.000 1.392 2290 I CB -0.332 37.543 38.000 -0.207 0.000 1.065 2290 I HN 0.240 nan 8.210 nan 0.000 0.418 2291 D N 0.423 120.689 120.400 -0.224 0.000 2.117 2291 D HA -0.141 4.499 4.640 0.001 0.000 0.198 2291 D C 2.291 178.449 176.300 -0.237 0.000 0.982 2291 D CA 1.209 55.101 54.000 -0.181 0.000 0.828 2291 D CB -0.356 40.390 40.800 -0.091 0.000 0.967 2291 D HN 0.368 nan 8.370 nan 0.000 0.464 2292 C N 0.651 119.744 119.300 -0.344 0.000 2.429 2292 C HA -0.062 4.398 4.460 0.001 0.000 0.277 2292 C C 2.842 177.629 174.990 -0.338 0.000 1.262 2292 C CA -0.092 58.736 59.018 -0.318 0.000 1.733 2292 C CB -0.917 26.598 27.740 -0.375 0.000 2.010 2292 C HN 0.337 nan 8.230 nan 0.000 0.483 2293 I N 0.614 120.888 120.570 -0.494 0.000 2.099 2293 I HA -0.233 3.937 4.170 0.001 0.000 0.239 2293 I C 2.666 178.531 176.117 -0.420 0.000 1.066 2293 I CA 1.589 62.448 61.300 -0.734 0.000 1.324 2293 I CB -0.522 36.798 38.000 -1.133 0.000 1.037 2293 I HN 0.325 nan 8.210 nan 0.000 0.401 2294 R N 0.428 120.740 120.500 -0.314 0.000 2.371 2294 R HA -0.218 4.122 4.340 0.001 0.000 0.226 2294 R C 2.053 178.325 176.300 -0.046 0.000 1.132 2294 R CA 0.953 56.994 56.100 -0.098 0.000 1.027 2294 R CB -0.270 29.990 30.300 -0.066 0.000 0.848 2294 R HN 0.603 nan 8.270 nan 0.000 0.479 2295 Q N -0.518 119.226 119.800 -0.092 0.000 2.163 2295 Q HA -0.030 4.310 4.340 0.001 0.000 0.198 2295 Q C 2.023 178.008 176.000 -0.025 0.000 0.954 2295 Q CA 0.915 56.690 55.803 -0.048 0.000 0.851 2295 Q CB 0.297 29.001 28.738 -0.058 0.000 0.928 2295 Q HN 0.155 nan 8.270 nan 0.000 0.459 2296 V N 0.147 120.027 119.914 -0.057 0.000 2.649 2296 V HA -0.087 4.034 4.120 0.001 0.000 0.248 2296 V C 0.782 176.917 176.094 0.068 0.000 1.054 2296 V CA 1.019 63.302 62.300 -0.029 0.000 1.073 2296 V CB 0.385 32.085 31.823 -0.205 0.000 0.699 2296 V HN 0.265 nan 8.190 nan 0.000 0.463 2297 Q N -0.699 119.177 119.800 0.126 0.000 2.695 2297 Q HA 0.237 4.577 4.340 0.001 0.000 0.246 2297 Q C -2.307 173.832 176.000 0.231 0.000 0.961 2297 Q CA -1.534 54.398 55.803 0.215 0.000 0.708 2297 Q CB 2.281 31.263 28.738 0.407 0.000 1.282 2297 Q HN 0.222 nan 8.270 nan 0.000 0.482 2298 P HA -0.120 nan 4.420 nan 0.000 0.218 2298 P C -0.559 176.818 177.300 0.127 0.000 1.148 2298 P CA 1.088 64.258 63.100 0.116 0.000 0.822 2298 P CB 0.360 32.098 31.700 0.063 0.000 0.784 2299 E N -1.238 118.984 120.200 0.036 0.000 2.301 2299 E HA 0.341 4.692 4.350 0.001 0.000 0.275 2299 E C 1.696 178.074 176.600 -0.369 0.000 1.030 2299 E CA 0.045 56.400 56.400 -0.075 0.000 0.852 2299 E CB -0.163 29.496 29.700 -0.068 0.000 1.060 2299 E HN -0.089 nan 8.360 nan 0.000 0.401 2300 G N 4.760 113.443 108.800 -0.194 0.000 2.703 2300 G HA2 -0.235 3.726 3.960 0.001 0.000 0.222 2300 G HA3 -0.235 3.726 3.960 0.001 0.000 0.222 2300 G C -1.295 173.333 174.900 -0.454 0.000 1.183 2300 G CA 0.399 45.385 45.100 -0.189 0.000 0.775 2300 G HN 0.508 nan 8.290 nan 0.000 0.615 2301 P HA 0.087 nan 4.420 nan 0.000 0.263 2301 P C -1.283 175.799 177.300 -0.364 0.000 1.247 2301 P CA 0.487 63.449 63.100 -0.230 0.000 0.876 2301 P CB -0.307 31.383 31.700 -0.017 0.000 0.928 2302 Y N 2.702 122.996 120.300 -0.010 0.000 2.446 2302 Y HA 0.467 5.017 4.550 0.000 0.000 0.338 2302 Y C 1.289 177.253 175.900 0.108 0.000 1.055 2302 Y CA -0.935 57.217 58.100 0.086 0.000 1.101 2302 Y CB 2.260 40.759 38.460 0.065 0.000 1.221 2302 Y HN 0.140 nan 8.280 nan 0.000 0.460 2303 R N 2.161 122.881 120.500 0.368 0.000 2.320 2303 R HA 0.585 4.926 4.340 0.001 0.000 0.319 2303 R C -1.541 174.935 176.300 0.294 0.000 0.969 2303 R CA -0.724 55.539 56.100 0.271 0.000 0.857 2303 R CB 1.840 32.235 30.300 0.157 0.000 1.160 2303 R HN 0.442 nan 8.270 nan 0.000 0.491 2304 V N 1.379 121.448 119.914 0.259 0.000 2.709 2304 V HA 0.910 5.030 4.120 0.001 0.000 0.308 2304 V C -1.253 174.914 176.094 0.120 0.000 1.062 2304 V CA -0.481 61.930 62.300 0.185 0.000 0.901 2304 V CB 1.874 33.772 31.823 0.126 0.000 1.003 2304 V HN 0.844 nan 8.190 nan 0.000 0.425 2305 A N 4.017 126.828 122.820 -0.014 0.000 2.413 2305 A HA 1.020 5.340 4.320 0.001 0.000 0.307 2305 A C -0.093 177.388 177.584 -0.171 0.000 1.087 2305 A CA -0.258 51.667 52.037 -0.186 0.000 0.750 2305 A CB 2.028 20.748 19.000 -0.467 0.000 1.296 2305 A HN 1.936 nan 8.150 nan 0.000 0.423 2306 G N -0.287 108.409 108.800 -0.172 0.000 2.707 2306 G HA2 0.500 4.461 3.960 0.001 0.000 0.299 2306 G HA3 0.500 4.461 3.960 0.001 0.000 0.299 2306 G C -1.585 173.465 174.900 0.250 0.000 1.442 2306 G CA -0.316 44.821 45.100 0.062 0.000 1.009 2306 G HN 0.834 nan 8.290 nan 0.000 0.515 2307 Y N 3.573 124.136 120.300 0.439 0.000 2.350 2307 Y HA 0.499 5.049 4.550 0.001 0.000 0.340 2307 Y C 1.090 177.189 175.900 0.332 0.000 1.006 2307 Y CA 0.385 58.791 58.100 0.509 0.000 1.166 2307 Y CB 1.095 39.915 38.460 0.600 0.000 1.168 2307 Y HN 1.014 nan 8.280 nan 0.000 0.502 2308 S N 4.341 120.015 115.700 -0.043 0.000 4.155 2308 S HA -0.434 4.036 4.470 0.001 0.000 0.552 2308 S C 1.230 175.838 174.600 0.013 0.000 1.869 2308 S CA 1.933 60.092 58.200 -0.069 0.000 4.246 2308 S CB -1.831 61.114 63.200 -0.425 0.000 0.245 2308 S HN 0.975 nan 8.310 nan 0.000 0.461 2309 Y N 2.480 122.704 120.300 -0.127 0.000 2.224 2309 Y HA 0.075 4.626 4.550 0.001 0.000 0.289 2309 Y C 2.366 178.233 175.900 -0.056 0.000 1.146 2309 Y CA 2.475 60.524 58.100 -0.085 0.000 1.182 2309 Y CB -1.025 37.406 38.460 -0.047 0.000 0.983 2309 Y HN 0.490 nan 8.280 nan 0.000 0.524 2310 G N -0.210 108.663 108.800 0.123 0.000 2.448 2310 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 2310 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 2310 G C 1.806 176.703 174.900 -0.006 0.000 1.127 2310 G CA 0.801 45.919 45.100 0.030 0.000 0.766 2310 G HN 0.610 nan 8.290 nan 0.000 0.552 2311 A N 0.397 123.238 122.820 0.035 0.000 1.873 2311 A HA -0.231 4.089 4.320 0.001 0.000 0.218 2311 A C 2.672 180.246 177.584 -0.017 0.000 1.193 2311 A CA 2.085 54.146 52.037 0.040 0.000 0.629 2311 A CB -1.398 17.667 19.000 0.110 0.000 0.826 2311 A HN 0.706 nan 8.150 nan 0.000 0.447 2312 C N -0.918 118.309 119.300 -0.122 0.000 2.413 2312 C HA -0.084 4.376 4.460 0.001 0.000 0.276 2312 C C 2.627 177.478 174.990 -0.231 0.000 1.236 2312 C CA 1.450 60.355 59.018 -0.188 0.000 1.735 2312 C CB -1.551 25.981 27.740 -0.346 0.000 2.031 2312 C HN 0.409 nan 8.230 nan 0.000 0.474 2313 V N 1.922 121.658 119.914 -0.297 0.000 2.261 2313 V HA -0.137 3.983 4.120 0.001 0.000 0.246 2313 V C 3.105 179.137 176.094 -0.103 0.000 1.047 2313 V CA 2.377 64.538 62.300 -0.232 0.000 1.015 2313 V CB -1.534 30.230 31.823 -0.097 0.000 0.642 2313 V HN 0.724 nan 8.190 nan 0.000 0.446 2314 A N -0.499 122.293 122.820 -0.046 0.000 1.917 2314 A HA -0.302 4.019 4.320 0.001 0.000 0.219 2314 A C 2.131 179.677 177.584 -0.064 0.000 1.182 2314 A CA 2.377 54.394 52.037 -0.034 0.000 0.633 2314 A CB -0.806 18.184 19.000 -0.018 0.000 0.819 2314 A HN 0.569 nan 8.150 nan 0.000 0.448 2315 F N 0.775 120.616 119.950 -0.183 0.000 2.075 2315 F HA -0.169 4.359 4.527 0.001 0.000 0.297 2315 F C 2.239 177.898 175.800 -0.234 0.000 1.113 2315 F CA 2.290 60.148 58.000 -0.236 0.000 1.218 2315 F CB -0.203 38.704 39.000 -0.154 0.000 0.984 2315 F HN 0.316 nan 8.300 nan 0.000 0.472 2316 E N 0.516 120.717 120.200 0.001 0.000 2.160 2316 E HA -0.234 4.117 4.350 0.001 0.000 0.195 2316 E C 2.091 178.590 176.600 -0.168 0.000 0.991 2316 E CA 1.869 58.219 56.400 -0.083 0.000 0.810 2316 E CB -0.414 29.123 29.700 -0.270 0.000 0.742 2316 E HN 0.548 nan 8.360 nan 0.000 0.466 2317 M N -0.747 118.752 119.600 -0.168 0.000 2.059 2317 M HA -0.190 4.290 4.480 0.001 0.000 0.259 2317 M C 2.448 178.650 176.300 -0.164 0.000 1.072 2317 M CA 1.692 56.905 55.300 -0.145 0.000 1.117 2317 M CB -0.454 32.073 32.600 -0.121 0.000 1.320 2317 M HN 0.233 nan 8.290 nan 0.000 0.408 2318 C N -0.536 118.624 119.300 -0.233 0.000 2.422 2318 C HA -0.112 4.349 4.460 0.001 0.000 0.279 2318 C C 3.188 178.074 174.990 -0.175 0.000 1.305 2318 C CA 1.259 60.158 59.018 -0.198 0.000 1.757 2318 C CB -1.076 26.474 27.740 -0.317 0.000 1.962 2318 C HN 0.633 nan 8.230 nan 0.000 0.499 2319 S N 0.040 115.495 115.700 -0.408 0.000 2.368 2319 S HA -0.201 4.269 4.470 0.001 0.000 0.225 2319 S C 1.942 176.536 174.600 -0.011 0.000 1.030 2319 S CA 1.505 59.554 58.200 -0.252 0.000 0.999 2319 S CB -0.219 62.742 63.200 -0.399 0.000 0.844 2319 S HN 0.728 nan 8.310 nan 0.000 0.459 2320 Q N 0.092 119.876 119.800 -0.028 0.000 2.123 2320 Q HA 0.086 4.426 4.340 0.001 0.000 0.199 2320 Q C 2.236 178.258 176.000 0.036 0.000 0.966 2320 Q CA 1.097 56.913 55.803 0.022 0.000 0.845 2320 Q CB -0.208 28.534 28.738 0.006 0.000 0.907 2320 Q HN 0.506 nan 8.270 nan 0.000 0.439 2321 L N 0.573 121.812 121.223 0.026 0.000 2.131 2321 L HA -0.226 4.114 4.340 0.001 0.000 0.210 2321 L C 2.607 179.541 176.870 0.107 0.000 1.092 2321 L CA 1.104 55.982 54.840 0.064 0.000 0.759 2321 L CB -0.368 41.732 42.059 0.068 0.000 0.903 2321 L HN 0.353 nan 8.230 nan 0.000 0.435 2322 Q N 0.302 120.180 119.800 0.130 0.000 1.965 2322 Q HA -0.218 4.123 4.340 0.001 0.000 0.200 2322 Q C 2.316 178.382 176.000 0.110 0.000 0.981 2322 Q CA 1.827 57.719 55.803 0.148 0.000 0.834 2322 Q CB -0.159 28.710 28.738 0.218 0.000 0.900 2322 Q HN 0.473 nan 8.270 nan 0.000 0.426 2323 A N 0.246 123.128 122.820 0.104 0.000 2.076 2323 A HA -0.170 4.151 4.320 0.001 0.000 0.220 2323 A C 0.921 178.543 177.584 0.063 0.000 1.160 2323 A CA 1.079 53.164 52.037 0.081 0.000 0.653 2323 A CB -0.261 18.788 19.000 0.082 0.000 0.801 2323 A HN 0.514 nan 8.150 nan 0.000 0.455 2332 N N 1.057 119.645 118.700 -0.186 0.000 2.466 2332 N HA 0.336 5.076 4.740 0.001 0.000 0.294 2332 N C -0.313 175.222 175.510 0.042 0.000 1.129 2332 N CA -0.420 52.582 53.050 -0.080 0.000 0.931 2332 N CB 1.999 40.478 38.487 -0.014 0.000 1.193 2332 N HN 0.118 nan 8.380 nan 0.000 0.500 2333 S N 1.006 116.758 115.700 0.086 0.000 2.499 2333 S HA 0.413 4.883 4.470 0.001 0.000 0.279 2333 S C -0.289 174.363 174.600 0.086 0.000 1.219 2333 S CA -0.565 57.680 58.200 0.076 0.000 1.062 2333 S CB 0.559 63.902 63.200 0.239 0.000 0.978 2333 S HN 0.390 nan 8.310 nan 0.000 0.489 2334 L N 4.262 125.430 121.223 -0.091 0.000 2.406 2334 L HA 0.631 4.971 4.340 0.001 0.000 0.270 2334 L C -1.960 174.781 176.870 -0.215 0.000 0.982 2334 L CA -0.367 54.445 54.840 -0.046 0.000 0.843 2334 L CB 0.341 42.379 42.059 -0.035 0.000 1.225 2334 L HN 0.467 nan 8.230 nan 0.000 0.412 2335 F N 5.546 125.421 119.950 -0.125 0.000 2.427 2335 F HA 0.589 5.117 4.527 0.000 0.000 0.346 2335 F C -0.269 175.306 175.800 -0.375 0.000 1.120 2335 F CA -0.688 57.177 58.000 -0.224 0.000 1.033 2335 F CB 1.534 40.349 39.000 -0.308 0.000 1.126 2335 F HN 0.215 nan 8.300 nan 0.000 0.462 2336 L N 4.660 125.842 121.223 -0.069 0.000 2.294 2336 L HA 0.418 4.758 4.340 0.001 0.000 0.283 2336 L C -0.916 176.037 176.870 0.139 0.000 1.015 2336 L CA -0.459 54.370 54.840 -0.020 0.000 0.831 2336 L CB 0.852 42.974 42.059 0.104 0.000 1.217 2336 L HN 0.561 nan 8.230 nan 0.000 0.420 2337 F N 2.307 122.465 119.950 0.347 0.000 2.464 2337 F HA 0.077 4.605 4.527 0.001 0.000 0.353 2337 F C 0.689 176.778 175.800 0.482 0.000 1.191 2337 F CA -0.489 57.747 58.000 0.393 0.000 1.147 2337 F CB 0.146 39.420 39.000 0.457 0.000 1.294 2337 F HN 0.599 nan 8.300 nan 0.000 0.583 2338 D N 2.516 123.284 120.400 0.614 0.000 2.803 2338 D HA -0.105 4.535 4.640 0.001 0.000 0.233 2338 D C -0.045 176.747 176.300 0.820 0.000 1.182 2338 D CA 1.474 55.910 54.000 0.728 0.000 0.726 2338 D CB -0.655 40.580 40.800 0.724 0.000 0.987 2338 D HN 0.875 nan 8.370 nan 0.000 0.412 2339 G N -1.104 108.110 108.800 0.691 0.000 2.466 2339 G HA2 0.706 4.666 3.960 0.001 0.000 0.291 2339 G HA3 0.706 4.666 3.960 0.001 0.000 0.291 2339 G C -1.073 174.045 174.900 0.364 0.000 1.460 2339 G CA 0.173 45.601 45.100 0.547 0.000 0.791 2339 G HN 1.066 nan 8.290 nan 0.000 0.505 2340 S N -0.893 114.926 115.700 0.198 0.000 2.643 2340 S HA 0.653 5.123 4.470 0.001 0.000 0.266 2340 S C -2.779 171.775 174.600 -0.077 0.000 1.130 2340 S CA -0.660 57.569 58.200 0.049 0.000 0.817 2340 S CB 1.569 64.824 63.200 0.092 0.000 1.107 2340 S HN 0.304 nan 8.310 nan 0.000 0.471 2341 P HA -0.003 nan 4.420 nan 0.000 0.222 2341 P C 0.918 178.156 177.300 -0.105 0.000 1.142 2341 P CA 1.536 64.522 63.100 -0.189 0.000 0.788 2341 P CB -0.135 31.268 31.700 -0.494 0.000 0.767 2342 T N -3.425 111.071 114.554 -0.095 0.000 3.046 2342 T HA 0.045 4.396 4.350 0.001 0.000 0.242 2342 T C 0.608 175.297 174.700 -0.019 0.000 1.018 2342 T CA 0.239 62.304 62.100 -0.059 0.000 1.131 2342 T CB -0.466 68.371 68.868 -0.052 0.000 0.904 2342 T HN -0.059 nan 8.240 nan 0.000 0.459 2358 G N -0.611 108.206 108.800 0.028 0.000 2.370 2358 G HA2 -0.138 3.822 3.960 0.001 0.000 0.174 2358 G HA3 -0.138 3.822 3.960 0.001 0.000 0.174 2358 G C 0.452 175.364 174.900 0.020 0.000 1.002 2358 G CA 0.116 45.229 45.100 0.021 0.000 0.730 2358 G HN 0.468 nan 8.290 nan 0.000 0.497 2359 C N 0.912 120.229 119.300 0.029 0.000 2.849 2359 C HA 0.463 4.924 4.460 0.001 0.000 0.271 2359 C C 1.893 176.905 174.990 0.037 0.000 1.519 2359 C CA -0.007 59.029 59.018 0.029 0.000 1.783 2359 C CB -0.069 27.690 27.740 0.032 0.000 2.869 2359 C HN 0.609 nan 8.230 nan 0.000 0.527 2360 E N 2.278 122.498 120.200 0.035 0.000 2.048 2360 E HA -0.242 4.108 4.350 0.001 0.000 0.202 2360 E C 2.258 178.842 176.600 -0.027 0.000 1.021 2360 E CA 2.174 58.592 56.400 0.031 0.000 0.825 2360 E CB -0.060 29.650 29.700 0.016 0.000 0.756 2360 E HN 0.644 nan 8.360 nan 0.000 0.454 2361 A N 0.641 123.440 122.820 -0.035 0.000 1.884 2361 A HA -0.356 3.965 4.320 0.001 0.000 0.219 2361 A C 2.188 179.747 177.584 -0.042 0.000 1.197 2361 A CA 2.204 54.208 52.037 -0.055 0.000 0.637 2361 A CB -0.839 18.140 19.000 -0.035 0.000 0.827 2361 A HN 0.433 nan 8.150 nan 0.000 0.450 2362 E N -0.468 119.728 120.200 -0.006 0.000 2.077 2362 E HA -0.092 4.258 4.350 0.001 0.000 0.193 2362 E C 2.186 178.808 176.600 0.036 0.000 0.989 2362 E CA 1.017 57.426 56.400 0.016 0.000 0.800 2362 E CB -0.281 29.436 29.700 0.029 0.000 0.746 2362 E HN 0.543 nan 8.360 nan 0.000 0.452 2363 A N 1.249 124.101 122.820 0.054 0.000 1.865 2363 A HA -0.259 4.061 4.320 0.001 0.000 0.217 2363 A C 1.948 179.605 177.584 0.121 0.000 1.191 2363 A CA 1.904 54.016 52.037 0.126 0.000 0.623 2363 A CB -0.637 18.485 19.000 0.204 0.000 0.826 2363 A HN 0.357 nan 8.150 nan 0.000 0.444 2364 E N -0.883 119.250 120.200 -0.110 0.000 2.077 2364 E HA -0.131 4.219 4.350 0.001 0.000 0.193 2364 E C 2.136 178.654 176.600 -0.137 0.000 0.989 2364 E CA 1.624 57.770 56.400 -0.424 0.000 0.800 2364 E CB -0.403 28.910 29.700 -0.646 0.000 0.746 2364 E HN 0.615 nan 8.360 nan 0.000 0.452 2365 T N 0.948 115.458 114.554 -0.074 0.000 2.652 2365 T HA -0.189 4.162 4.350 0.001 0.000 0.267 2365 T C 1.817 176.553 174.700 0.061 0.000 1.039 2365 T CA 1.572 63.659 62.100 -0.022 0.000 1.153 2365 T CB -0.230 68.624 68.868 -0.024 0.000 0.863 2365 T HN 0.060 nan 8.240 nan 0.000 0.428 2366 E N 1.028 121.291 120.200 0.106 0.000 2.077 2366 E HA -0.017 4.333 4.350 0.001 0.000 0.193 2366 E C 2.247 179.016 176.600 0.281 0.000 0.989 2366 E CA 1.188 57.706 56.400 0.196 0.000 0.800 2366 E CB -0.584 29.222 29.700 0.177 0.000 0.746 2366 E HN 0.452 nan 8.360 nan 0.000 0.452 2367 A N 0.253 123.241 122.820 0.280 0.000 1.841 2367 A HA -0.199 4.122 4.320 0.001 0.000 0.216 2367 A C 2.171 180.065 177.584 0.516 0.000 1.199 2367 A CA 1.794 54.103 52.037 0.453 0.000 0.621 2367 A CB -0.805 18.467 19.000 0.454 0.000 0.835 2367 A HN 0.271 nan 8.150 nan 0.000 0.445 2368 I N -0.556 120.190 120.570 0.293 0.000 2.394 2368 I HA -0.205 3.965 4.170 0.001 0.000 0.251 2368 I C 2.630 178.878 176.117 0.218 0.000 1.136 2368 I CA 0.871 62.297 61.300 0.210 0.000 1.425 2368 I CB -0.723 37.300 38.000 0.037 0.000 1.079 2368 I HN 0.574 nan 8.210 nan 0.000 0.425 2369 C N 0.006 119.418 119.300 0.186 0.000 2.432 2369 C HA -0.242 4.218 4.460 0.001 0.000 0.277 2369 C C 2.878 177.985 174.990 0.195 0.000 1.249 2369 C CA 0.676 59.774 59.018 0.133 0.000 1.725 2369 C CB -1.243 26.545 27.740 0.079 0.000 2.028 2369 C HN 0.552 nan 8.230 nan 0.000 0.477 2370 F N 0.686 120.733 119.950 0.161 0.000 2.069 2370 F HA -0.092 4.436 4.527 0.001 0.000 0.298 2370 F C 1.950 177.757 175.800 0.013 0.000 1.113 2370 F CA 2.350 60.425 58.000 0.125 0.000 1.214 2370 F CB -1.031 38.084 39.000 0.191 0.000 0.978 2370 F HN 0.329 nan 8.300 nan 0.000 0.474 2371 F N 0.597 120.513 119.950 -0.055 0.000 2.115 2371 F HA -0.273 4.255 4.527 0.001 0.000 0.300 2371 F C 2.133 177.861 175.800 -0.120 0.000 1.092 2371 F CA 2.087 59.903 58.000 -0.308 0.000 1.245 2371 F CB -0.929 37.834 39.000 -0.395 0.000 0.995 2371 F HN -0.117 nan 8.300 nan 0.000 0.481 2372 V N 0.312 120.219 119.914 -0.011 0.000 2.332 2372 V HA -0.358 3.762 4.120 0.001 0.000 0.248 2372 V C 2.269 178.296 176.094 -0.111 0.000 1.055 2372 V CA 2.386 64.651 62.300 -0.057 0.000 1.038 2372 V CB -0.799 31.035 31.823 0.018 0.000 0.651 2372 V HN 0.432 nan 8.190 nan 0.000 0.450 2373 Q N -0.823 118.868 119.800 -0.182 0.000 2.364 2373 Q HA -0.200 4.140 4.340 0.001 0.000 0.209 2373 Q C 2.254 178.072 176.000 -0.304 0.000 0.977 2373 Q CA 0.945 56.619 55.803 -0.215 0.000 0.885 2373 Q CB -0.096 28.503 28.738 -0.233 0.000 0.941 2373 Q HN 0.608 nan 8.270 nan 0.000 0.464 2374 Q N -0.961 118.586 119.800 -0.422 0.000 2.311 2374 Q HA -0.050 4.291 4.340 0.001 0.000 0.203 2374 Q C 1.097 176.746 176.000 -0.585 0.000 0.954 2374 Q CA 1.062 56.545 55.803 -0.533 0.000 0.885 2374 Q CB 0.157 28.496 28.738 -0.665 0.000 0.963 2374 Q HN 0.420 nan 8.270 nan 0.000 0.471 2375 F N -0.029 119.705 119.950 -0.359 0.000 2.717 2375 F HA 0.119 4.647 4.527 0.001 0.000 0.295 2375 F C 1.352 177.160 175.800 0.013 0.000 1.117 2375 F CA 0.292 58.173 58.000 -0.197 0.000 1.361 2375 F CB 0.230 39.096 39.000 -0.225 0.000 1.112 2375 F HN -0.089 nan 8.300 nan 0.000 0.594 2376 T N -4.024 110.583 114.554 0.089 0.000 2.645 2376 T HA 0.341 4.692 4.350 0.001 0.000 0.273 2376 T C 0.181 174.871 174.700 -0.016 0.000 0.960 2376 T CA -0.345 61.785 62.100 0.050 0.000 1.051 2376 T CB 1.760 70.631 68.868 0.006 0.000 1.366 2376 T HN -0.120 nan 8.240 nan 0.000 0.536 2377 D N -1.107 119.278 120.400 -0.025 0.000 2.422 2377 D HA 0.236 4.876 4.640 0.001 0.000 0.218 2377 D C 0.713 176.996 176.300 -0.028 0.000 1.047 2377 D CA -0.149 53.832 54.000 -0.031 0.000 0.885 2377 D CB -0.186 40.598 40.800 -0.026 0.000 1.035 2377 D HN 0.548 nan 8.370 nan 0.000 0.502 2378 M N 1.700 121.284 119.600 -0.027 0.000 2.146 2378 M HA -0.129 4.351 4.480 0.001 0.000 0.401 2378 M C 0.124 176.421 176.300 -0.005 0.000 1.144 2378 M CA 0.818 56.106 55.300 -0.020 0.000 0.764 2378 M CB 0.328 32.913 32.600 -0.025 0.000 1.819 2378 M HN 0.071 nan 8.290 nan 0.000 0.513 2379 E N 1.903 122.106 120.200 0.005 0.000 2.373 2379 E HA -0.034 4.316 4.350 0.001 0.000 0.267 2379 E C 0.589 177.224 176.600 0.058 0.000 1.032 2379 E CA -0.001 56.420 56.400 0.035 0.000 0.889 2379 E CB 0.598 30.316 29.700 0.030 0.000 0.984 2379 E HN 0.564 nan 8.360 nan 0.000 0.425 2380 H N 4.406 123.475 119.070 -0.001 0.000 2.255 2380 H HA -0.219 4.337 4.556 0.001 0.000 0.290 2380 H C 1.302 176.638 175.328 0.013 0.000 1.087 2380 H CA 2.700 58.755 56.048 0.013 0.000 1.213 2380 H CB 0.248 30.026 29.762 0.026 0.000 1.349 2380 H HN 0.440 nan 8.280 nan 0.000 0.487 2381 N N 0.261 118.991 118.700 0.050 0.000 2.061 2381 N HA -0.201 4.539 4.740 0.001 0.000 0.193 2381 N C 2.193 177.669 175.510 -0.056 0.000 1.030 2381 N CA 1.575 54.616 53.050 -0.015 0.000 0.856 2381 N CB -0.499 38.013 38.487 0.041 0.000 1.023 2381 N HN 0.414 nan 8.380 nan 0.000 0.424 2382 R N 0.820 121.300 120.500 -0.034 0.000 2.075 2382 R HA -0.014 4.326 4.340 0.001 0.000 0.232 2382 R C 2.049 178.314 176.300 -0.058 0.000 1.126 2382 R CA 0.846 56.924 56.100 -0.037 0.000 0.963 2382 R CB -0.083 30.203 30.300 -0.023 0.000 0.858 2382 R HN -0.008 nan 8.270 nan 0.000 0.435 2383 V N 1.017 120.884 119.914 -0.077 0.000 2.358 2383 V HA -0.216 3.905 4.120 0.001 0.000 0.246 2383 V C 2.284 178.305 176.094 -0.122 0.000 1.047 2383 V CA 1.260 63.509 62.300 -0.086 0.000 1.035 2383 V CB -0.528 31.249 31.823 -0.077 0.000 0.658 2383 V HN 0.386 nan 8.190 nan 0.000 0.452 2384 L N 0.288 121.384 121.223 -0.212 0.000 2.042 2384 L HA -0.152 4.189 4.340 0.001 0.000 0.210 2384 L C 2.609 179.411 176.870 -0.113 0.000 1.076 2384 L CA 2.045 56.752 54.840 -0.222 0.000 0.749 2384 L CB -1.022 40.830 42.059 -0.345 0.000 0.893 2384 L HN 0.389 nan 8.230 nan 0.000 0.432 2385 E N -0.264 119.884 120.200 -0.087 0.000 2.150 2385 E HA -0.113 4.237 4.350 0.001 0.000 0.193 2385 E C 2.050 178.622 176.600 -0.047 0.000 0.985 2385 E CA 1.192 57.560 56.400 -0.053 0.000 0.814 2385 E CB -0.002 29.675 29.700 -0.039 0.000 0.752 2385 E HN 0.555 nan 8.360 nan 0.000 0.466 2386 A N 0.157 122.947 122.820 -0.051 0.000 2.072 2386 A HA 0.048 4.369 4.320 0.001 0.000 0.216 2386 A C 2.108 179.666 177.584 -0.044 0.000 1.156 2386 A CA 0.425 52.437 52.037 -0.042 0.000 0.701 2386 A CB -0.079 18.897 19.000 -0.039 0.000 0.816 2386 A HN 0.147 nan 8.150 nan 0.000 0.458 2387 L N -1.265 119.927 121.223 -0.052 0.000 2.515 2387 L HA 0.123 4.463 4.340 0.001 0.000 0.223 2387 L C 2.148 178.986 176.870 -0.053 0.000 1.079 2387 L CA -0.068 54.741 54.840 -0.052 0.000 0.857 2387 L CB -0.174 41.855 42.059 -0.051 0.000 1.050 2387 L HN 0.310 nan 8.230 nan 0.000 0.476 2388 L N 2.187 123.380 121.223 -0.050 0.000 2.017 2388 L HA -0.041 4.300 4.340 0.001 0.000 0.208 2388 L C -0.370 176.477 176.870 -0.037 0.000 1.073 2388 L CA 2.186 57.001 54.840 -0.042 0.000 0.745 2388 L CB -1.488 40.549 42.059 -0.035 0.000 0.894 2388 L HN 0.132 nan 8.230 nan 0.000 0.432 2389 P HA 0.003 nan 4.420 nan 0.000 0.249 2389 P C 0.323 177.605 177.300 -0.032 0.000 1.229 2389 P CA 0.172 63.254 63.100 -0.029 0.000 0.788 2389 P CB -0.004 31.681 31.700 -0.024 0.000 1.072 2390 L N 0.553 121.752 121.223 -0.039 0.000 2.452 2390 L HA 0.139 4.479 4.340 0.001 0.000 0.267 2390 L C 2.264 179.108 176.870 -0.044 0.000 1.188 2390 L CA -0.300 54.515 54.840 -0.042 0.000 0.821 2390 L CB 0.475 42.505 42.059 -0.050 0.000 1.102 2390 L HN -0.123 nan 8.230 nan 0.000 0.470 2391 K N 1.183 121.560 120.400 -0.039 0.000 2.044 2391 K HA -0.108 4.212 4.320 0.001 0.000 0.210 2391 K C 0.668 177.241 176.600 -0.046 0.000 1.049 2391 K CA 1.509 57.775 56.287 -0.036 0.000 0.927 2391 K CB 0.121 32.605 32.500 -0.028 0.000 0.713 2391 K HN 0.906 nan 8.250 nan 0.000 0.443 2392 G N -1.067 107.697 108.800 -0.061 0.000 2.494 2392 G HA2 0.170 4.130 3.960 0.001 0.000 0.308 2392 G HA3 0.170 4.130 3.960 0.001 0.000 0.308 2392 G C -0.246 174.583 174.900 -0.119 0.000 1.263 2392 G CA -0.300 44.749 45.100 -0.085 0.000 0.840 2392 G HN 0.084 nan 8.290 nan 0.000 0.479 2393 L N 0.173 121.303 121.223 -0.155 0.000 1.990 2393 L HA 0.032 4.372 4.340 0.001 0.000 0.213 2393 L C 2.569 179.355 176.870 -0.140 0.000 1.072 2393 L CA 2.826 57.541 54.840 -0.209 0.000 0.755 2393 L CB -0.637 41.275 42.059 -0.246 0.000 0.889 2393 L HN 0.635 nan 8.230 nan 0.000 0.432 2394 E N -0.437 119.714 120.200 -0.082 0.000 2.153 2394 E HA -0.207 4.143 4.350 0.001 0.000 0.194 2394 E C 2.094 178.660 176.600 -0.056 0.000 0.988 2394 E CA 1.162 57.529 56.400 -0.055 0.000 0.811 2394 E CB -0.027 29.660 29.700 -0.022 0.000 0.746 2394 E HN 0.522 nan 8.360 nan 0.000 0.466 2395 E N -0.414 119.751 120.200 -0.058 0.000 2.072 2395 E HA -0.057 4.293 4.350 0.001 0.000 0.190 2395 E C 2.080 178.644 176.600 -0.060 0.000 0.982 2395 E CA 0.875 57.245 56.400 -0.050 0.000 0.803 2395 E CB -0.055 29.617 29.700 -0.046 0.000 0.755 2395 E HN 0.101 nan 8.360 nan 0.000 0.453 2396 R N -0.046 120.405 120.500 -0.082 0.000 2.073 2396 R HA -0.094 4.246 4.340 0.001 0.000 0.234 2396 R C 2.306 178.558 176.300 -0.081 0.000 1.134 2396 R CA 1.272 57.321 56.100 -0.085 0.000 0.952 2396 R CB -0.604 29.625 30.300 -0.119 0.000 0.850 2396 R HN 0.045 nan 8.270 nan 0.000 0.433 2397 V N 0.938 120.790 119.914 -0.104 0.000 2.287 2397 V HA -0.304 3.816 4.120 0.001 0.000 0.248 2397 V C 2.385 178.438 176.094 -0.068 0.000 1.053 2397 V CA 2.094 64.329 62.300 -0.108 0.000 1.027 2397 V CB -0.803 30.946 31.823 -0.122 0.000 0.646 2397 V HN 0.480 nan 8.190 nan 0.000 0.447 2398 A N -0.092 122.697 122.820 -0.053 0.000 1.877 2398 A HA -0.132 4.188 4.320 0.001 0.000 0.216 2398 A C 2.435 180.001 177.584 -0.030 0.000 1.186 2398 A CA 2.218 54.234 52.037 -0.035 0.000 0.620 2398 A CB -0.907 18.076 19.000 -0.028 0.000 0.822 2398 A HN 0.596 nan 8.150 nan 0.000 0.443 2399 A N -0.271 122.529 122.820 -0.033 0.000 1.933 2399 A HA 0.150 4.470 4.320 0.001 0.000 0.218 2399 A C 2.484 180.054 177.584 -0.023 0.000 1.175 2399 A CA 2.164 54.184 52.037 -0.029 0.000 0.628 2399 A CB -0.958 18.022 19.000 -0.033 0.000 0.814 2399 A HN 1.028 nan 8.150 nan 0.000 0.444 2400 A N -0.533 122.275 122.820 -0.021 0.000 1.855 2400 A HA -0.000 4.320 4.320 0.001 0.000 0.215 2400 A C 2.199 179.783 177.584 0.000 0.000 1.191 2400 A CA 1.729 53.767 52.037 0.003 0.000 0.613 2400 A CB -1.082 17.934 19.000 0.027 0.000 0.829 2400 A HN 0.423 nan 8.150 nan 0.000 0.442 2401 V N 0.853 120.760 119.914 -0.012 0.000 2.380 2401 V HA -0.286 3.834 4.120 0.001 0.000 0.251 2401 V C 2.194 178.278 176.094 -0.016 0.000 1.063 2401 V CA 2.362 64.652 62.300 -0.017 0.000 1.055 2401 V CB -0.824 30.987 31.823 -0.020 0.000 0.657 2401 V HN 0.513 nan 8.190 nan 0.000 0.455 2402 D N -0.103 120.287 120.400 -0.016 0.000 2.097 2402 D HA -0.110 4.530 4.640 0.001 0.000 0.197 2402 D C 2.192 178.480 176.300 -0.021 0.000 0.984 2402 D CA 1.204 55.194 54.000 -0.017 0.000 0.826 2402 D CB -0.135 40.654 40.800 -0.018 0.000 0.973 2402 D HN 0.347 nan 8.370 nan 0.000 0.460 2403 L N 0.666 121.876 121.223 -0.022 0.000 2.042 2403 L HA -0.169 4.172 4.340 0.001 0.000 0.210 2403 L C 2.567 179.418 176.870 -0.030 0.000 1.076 2403 L CA 0.738 55.562 54.840 -0.027 0.000 0.749 2403 L CB -0.252 41.793 42.059 -0.023 0.000 0.893 2403 L HN 0.037 nan 8.230 nan 0.000 0.432 2404 I N -0.585 119.973 120.570 -0.019 0.000 2.202 2404 I HA -0.294 3.876 4.170 0.001 0.000 0.242 2404 I C 2.369 178.495 176.117 0.014 0.000 1.091 2404 I CA 1.012 62.316 61.300 0.005 0.000 1.368 2404 I CB -0.236 37.736 38.000 -0.047 0.000 1.058 2404 I HN 0.165 nan 8.210 nan 0.000 0.410 2405 I N 1.124 121.698 120.570 0.005 0.000 2.264 2405 I HA -0.260 3.911 4.170 0.001 0.000 0.248 2405 I C 1.918 178.019 176.117 -0.027 0.000 1.111 2405 I CA 1.643 62.951 61.300 0.012 0.000 1.382 2405 I CB -1.136 36.869 38.000 0.008 0.000 1.060 2405 I HN 0.260 nan 8.210 nan 0.000 0.418 2406 K N 0.334 120.706 120.400 -0.046 0.000 2.643 2406 K HA 0.000 4.321 4.320 0.001 0.000 0.193 2406 K C 1.435 177.963 176.600 -0.121 0.000 1.027 2406 K CA 0.327 56.576 56.287 -0.064 0.000 1.033 2406 K CB 0.047 32.517 32.500 -0.051 0.000 0.827 2406 K HN 0.165 nan 8.250 nan 0.000 0.500 2407 S N -0.988 114.591 115.700 -0.201 0.000 2.653 2407 S HA 0.108 4.578 4.470 0.001 0.000 0.259 2407 S C -0.322 173.834 174.600 -0.740 0.000 1.076 2407 S CA -0.402 57.524 58.200 -0.458 0.000 1.051 2407 S CB 0.601 63.472 63.200 -0.547 0.000 0.994 2407 S HN 0.284 nan 8.310 nan 0.000 0.552 2408 H N 1.510 120.590 119.070 0.016 0.000 2.699 2408 H HA 0.307 4.863 4.556 0.001 0.000 0.256 2408 H C 0.037 175.377 175.328 0.020 0.000 1.376 2408 H CA -0.487 55.575 56.048 0.023 0.000 1.549 2408 H CB 0.455 30.245 29.762 0.047 0.000 1.686 2408 H HN 0.085 nan 8.280 nan 0.000 0.550 2409 Q N 1.128 120.974 119.800 0.077 0.000 2.248 2409 Q HA -0.073 4.268 4.340 0.001 0.000 0.208 2409 Q C 1.971 178.008 176.000 0.061 0.000 0.984 2409 Q CA 1.363 57.197 55.803 0.051 0.000 0.875 2409 Q CB -0.037 28.717 28.738 0.027 0.000 0.910 2409 Q HN 0.754 nan 8.270 nan 0.000 0.433 2410 G N 0.064 108.911 108.800 0.078 0.000 2.650 2410 G HA2 0.020 3.981 3.960 0.001 0.000 0.214 2410 G HA3 0.020 3.981 3.960 0.001 0.000 0.214 2410 G C 0.681 175.619 174.900 0.064 0.000 1.136 2410 G CA -0.223 44.914 45.100 0.062 0.000 0.789 2410 G HN 0.168 nan 8.290 nan 0.000 0.536 2411 L N 1.359 122.633 121.223 0.086 0.000 2.455 2411 L HA 0.125 4.465 4.340 0.001 0.000 0.272 2411 L C 0.098 177.003 176.870 0.059 0.000 1.174 2411 L CA -0.642 54.246 54.840 0.080 0.000 0.869 2411 L CB 0.710 42.831 42.059 0.103 0.000 1.130 2411 L HN 0.036 nan 8.230 nan 0.000 0.474 2412 D N 2.543 122.976 120.400 0.056 0.000 2.412 2412 D HA 0.001 4.641 4.640 0.001 0.000 0.257 2412 D C 1.245 177.571 176.300 0.043 0.000 1.217 2412 D CA 0.170 54.198 54.000 0.046 0.000 0.897 2412 D CB 0.767 41.595 40.800 0.047 0.000 1.132 2412 D HN 0.340 nan 8.370 nan 0.000 0.493 2413 R N 2.339 122.859 120.500 0.033 0.000 2.120 2413 R HA -0.140 4.200 4.340 0.001 0.000 0.234 2413 R C 1.720 178.040 176.300 0.034 0.000 1.123 2413 R CA 0.928 57.044 56.100 0.026 0.000 0.975 2413 R CB 0.009 30.320 30.300 0.018 0.000 0.866 2413 R HN 0.584 nan 8.270 nan 0.000 0.446 2414 Q N 0.632 120.456 119.800 0.040 0.000 2.119 2414 Q HA -0.137 4.203 4.340 0.001 0.000 0.201 2414 Q C 1.765 177.818 176.000 0.089 0.000 0.972 2414 Q CA 1.396 57.230 55.803 0.051 0.000 0.847 2414 Q CB 0.062 28.820 28.738 0.032 0.000 0.903 2414 Q HN 0.513 nan 8.270 nan 0.000 0.433 2415 E N 0.320 120.573 120.200 0.089 0.000 2.028 2415 E HA -0.080 4.270 4.350 0.001 0.000 0.190 2415 E C 2.255 178.946 176.600 0.152 0.000 0.984 2415 E CA 0.483 56.967 56.400 0.140 0.000 0.800 2415 E CB -0.067 29.703 29.700 0.118 0.000 0.758 2415 E HN 0.218 nan 8.360 nan 0.000 0.448 2416 L N 0.821 122.092 121.223 0.080 0.000 2.013 2416 L HA -0.250 4.091 4.340 0.001 0.000 0.212 2416 L C 2.755 179.616 176.870 -0.014 0.000 1.073 2416 L CA 1.187 56.043 54.840 0.027 0.000 0.753 2416 L CB -0.542 41.499 42.059 -0.031 0.000 0.890 2416 L HN 0.159 nan 8.230 nan 0.000 0.432 2417 S N -0.392 115.316 115.700 0.012 0.000 2.370 2417 S HA -0.256 4.214 4.470 0.001 0.000 0.226 2417 S C 1.951 176.551 174.600 0.000 0.000 1.033 2417 S CA 1.594 59.789 58.200 -0.009 0.000 1.011 2417 S CB -0.364 62.854 63.200 0.031 0.000 0.852 2417 S HN 0.412 nan 8.310 nan 0.000 0.457 2418 F N 2.146 122.067 119.950 -0.049 0.000 2.163 2418 F HA 0.156 4.683 4.527 0.000 0.000 0.297 2418 F C 2.240 178.004 175.800 -0.059 0.000 1.094 2418 F CA 1.012 58.995 58.000 -0.028 0.000 1.290 2418 F CB -1.033 37.969 39.000 0.005 0.000 1.017 2418 F HN 0.260 nan 8.300 nan 0.000 0.483 2419 A N 0.964 123.715 122.820 -0.115 0.000 1.841 2419 A HA -0.148 4.173 4.320 0.001 0.000 0.216 2419 A C 2.498 179.718 177.584 -0.607 0.000 1.199 2419 A CA 2.423 54.333 52.037 -0.212 0.000 0.621 2419 A CB -1.740 17.336 19.000 0.127 0.000 0.835 2419 A HN 0.544 nan 8.150 nan 0.000 0.445 2420 A N -0.489 121.744 122.820 -0.980 0.000 1.903 2420 A HA -0.270 4.050 4.320 0.001 0.000 0.219 2420 A C 2.301 179.536 177.584 -0.582 0.000 1.191 2420 A CA 2.312 53.570 52.037 -1.300 0.000 0.638 2420 A CB -0.586 17.898 19.000 -0.860 0.000 0.823 2420 A HN 0.608 nan 8.150 nan 0.000 0.451 2421 R N -0.039 120.212 120.500 -0.415 0.000 2.066 2421 R HA -0.128 4.212 4.340 0.001 0.000 0.232 2421 R C 2.525 178.633 176.300 -0.320 0.000 1.131 2421 R CA 2.052 57.959 56.100 -0.321 0.000 0.955 2421 R CB -0.346 29.845 30.300 -0.183 0.000 0.851 2421 R HN 0.660 nan 8.270 nan 0.000 0.432 2422 S N -0.237 115.239 115.700 -0.373 0.000 2.423 2422 S HA -0.166 4.304 4.470 0.001 0.000 0.231 2422 S C 1.849 176.334 174.600 -0.192 0.000 1.014 2422 S CA 0.865 58.903 58.200 -0.269 0.000 0.965 2422 S CB -0.623 62.199 63.200 -0.630 0.000 0.785 2422 S HN 0.469 nan 8.310 nan 0.000 0.495 2423 F N 1.789 121.539 119.950 -0.333 0.000 2.095 2423 F HA -0.144 4.384 4.527 0.001 0.000 0.298 2423 F C 2.306 178.005 175.800 -0.167 0.000 1.104 2423 F CA 1.781 59.649 58.000 -0.220 0.000 1.232 2423 F CB -0.687 38.195 39.000 -0.196 0.000 0.987 2423 F HN 0.276 nan 8.300 nan 0.000 0.475 2424 Y N -0.059 120.085 120.300 -0.259 0.000 2.145 2424 Y HA -0.301 4.249 4.550 0.001 0.000 0.286 2424 Y C 2.113 177.834 175.900 -0.299 0.000 1.145 2424 Y CA 1.931 59.838 58.100 -0.321 0.000 1.148 2424 Y CB -1.293 36.951 38.460 -0.358 0.000 0.981 2424 Y HN 0.257 nan 8.280 nan 0.000 0.507 2425 Y N 0.379 120.437 120.300 -0.405 0.000 2.224 2425 Y HA -0.233 4.317 4.550 0.001 0.000 0.289 2425 Y C 2.444 178.131 175.900 -0.356 0.000 1.146 2425 Y CA 1.355 59.206 58.100 -0.415 0.000 1.182 2425 Y CB -0.162 38.184 38.460 -0.189 0.000 0.983 2425 Y HN 0.078 nan 8.280 nan 0.000 0.524 2426 K N 0.162 120.443 120.400 -0.199 0.000 2.057 2426 K HA -0.148 4.172 4.320 0.001 0.000 0.206 2426 K C 1.940 178.449 176.600 -0.153 0.000 1.050 2426 K CA 1.093 57.272 56.287 -0.181 0.000 0.935 2426 K CB -0.229 31.993 32.500 -0.463 0.000 0.715 2426 K HN 0.291 nan 8.250 nan 0.000 0.439 2427 L N 0.572 121.552 121.223 -0.405 0.000 2.017 2427 L HA -0.196 4.144 4.340 0.001 0.000 0.208 2427 L C 2.762 179.495 176.870 -0.229 0.000 1.073 2427 L CA 1.272 55.911 54.840 -0.335 0.000 0.745 2427 L CB -0.350 41.422 42.059 -0.478 0.000 0.894 2427 L HN 0.207 nan 8.230 nan 0.000 0.432 2428 R N 0.170 120.459 120.500 -0.351 0.000 2.082 2428 R HA -0.224 4.116 4.340 0.001 0.000 0.234 2428 R C 2.315 178.548 176.300 -0.111 0.000 1.136 2428 R CA 1.789 57.732 56.100 -0.261 0.000 0.935 2428 R CB -0.377 29.684 30.300 -0.398 0.000 0.842 2428 R HN 0.348 nan 8.270 nan 0.000 0.430 2429 A N 0.470 123.243 122.820 -0.080 0.000 1.948 2429 A HA -0.179 4.141 4.320 0.001 0.000 0.220 2429 A C 2.334 179.916 177.584 -0.003 0.000 1.177 2429 A CA 2.006 54.033 52.037 -0.017 0.000 0.636 2429 A CB -0.824 18.171 19.000 -0.007 0.000 0.815 2429 A HN 0.615 nan 8.150 nan 0.000 0.449 2430 A N -0.502 122.315 122.820 -0.005 0.000 1.854 2430 A HA -0.058 4.262 4.320 0.001 0.000 0.214 2430 A C 1.639 179.222 177.584 -0.001 0.000 1.192 2430 A CA 1.181 53.193 52.037 -0.043 0.000 0.611 2430 A CB -0.396 18.587 19.000 -0.028 0.000 0.832 2430 A HN 0.454 nan 8.150 nan 0.000 0.442 2431 E N -0.398 119.785 120.200 -0.027 0.000 2.405 2431 E HA -0.092 4.259 4.350 0.001 0.000 0.194 2431 E C 0.948 177.544 176.600 -0.007 0.000 1.149 2431 E CA 0.543 56.924 56.400 -0.031 0.000 0.933 2431 E CB -0.012 29.655 29.700 -0.055 0.000 1.028 2431 E HN 0.820 nan 8.360 nan 0.000 0.487 2432 Q N -0.625 119.192 119.800 0.028 0.000 2.040 2432 Q HA 0.006 4.346 4.340 0.001 0.000 0.212 2432 Q C -0.517 175.549 176.000 0.109 0.000 0.766 2432 Q CA -0.252 55.578 55.803 0.046 0.000 0.967 2432 Q CB 0.575 29.335 28.738 0.036 0.000 1.202 2432 Q HN 0.137 nan 8.270 nan 0.000 0.446 2433 Y N 1.708 121.987 120.300 -0.035 0.000 2.301 2433 Y HA 0.466 5.016 4.550 0.000 0.000 0.325 2433 Y C -0.782 175.103 175.900 -0.025 0.000 1.203 2433 Y CA 0.586 58.667 58.100 -0.031 0.000 1.255 2433 Y CB 1.260 39.641 38.460 -0.133 0.000 1.232 2433 Y HN 0.045 nan 8.280 nan 0.000 0.501 2434 T N 4.538 118.644 114.554 -0.747 0.000 3.798 2434 T HA 0.337 4.688 4.350 0.001 0.000 0.339 2434 T C -2.995 171.307 174.700 -0.665 0.000 0.967 2434 T CA -1.624 60.103 62.100 -0.621 0.000 1.046 2434 T CB 0.966 69.693 68.868 -0.235 0.000 1.092 2434 T HN 0.388 nan 8.240 nan 0.000 0.465 2435 P HA 0.087 nan 4.420 nan 0.000 0.263 2435 P C 0.624 177.918 177.300 -0.011 0.000 1.162 2435 P CA -0.070 62.914 63.100 -0.194 0.000 0.758 2435 P CB 0.665 32.404 31.700 0.063 0.000 0.773 2436 K N 2.415 122.890 120.400 0.125 0.000 1.984 2436 K HA 0.083 4.403 4.320 0.001 0.000 0.209 2436 K C 1.008 177.662 176.600 0.090 0.000 1.046 2436 K CA 1.632 57.985 56.287 0.110 0.000 0.934 2436 K CB -0.445 32.142 32.500 0.144 0.000 0.717 2436 K HN 0.607 nan 8.250 nan 0.000 0.438 2437 A N -0.229 122.666 122.820 0.124 0.000 2.414 2437 A HA 0.591 4.912 4.320 0.001 0.000 0.278 2437 A C -1.001 176.663 177.584 0.133 0.000 1.228 2437 A CA -0.664 51.448 52.037 0.126 0.000 0.857 2437 A CB 0.777 19.869 19.000 0.154 0.000 1.389 2437 A HN -0.082 nan 8.150 nan 0.000 0.452 2438 K N 0.221 120.676 120.400 0.092 0.000 2.174 2438 K HA 0.289 4.609 4.320 0.001 0.000 0.275 2438 K C -1.517 175.019 176.600 -0.108 0.000 1.015 2438 K CA -0.011 56.244 56.287 -0.052 0.000 0.933 2438 K CB 0.780 33.123 32.500 -0.262 0.000 1.025 2438 K HN 0.579 nan 8.250 nan 0.000 0.463 2439 Y N 2.257 122.437 120.300 -0.199 0.000 2.350 2439 Y HA 0.076 4.627 4.550 0.000 0.000 0.340 2439 Y C 0.144 175.867 175.900 -0.295 0.000 1.006 2439 Y CA -0.326 57.667 58.100 -0.177 0.000 1.166 2439 Y CB 0.368 38.731 38.460 -0.161 0.000 1.168 2439 Y HN 0.522 nan 8.280 nan 0.000 0.502 2440 Y N 3.001 123.059 120.300 -0.405 0.000 2.466 2440 Y HA 0.275 4.826 4.550 0.001 0.000 0.272 2440 Y C 1.495 177.124 175.900 -0.451 0.000 1.169 2440 Y CA 0.125 58.043 58.100 -0.304 0.000 1.285 2440 Y CB -0.004 38.343 38.460 -0.188 0.000 1.078 2440 Y HN 0.696 nan 8.280 nan 0.000 0.523 2441 G N 0.135 108.372 108.800 -0.938 0.000 2.562 2441 G HA2 0.104 4.064 3.960 0.001 0.000 0.275 2441 G HA3 0.104 4.064 3.960 0.001 0.000 0.275 2441 G C -0.365 174.417 174.900 -0.196 0.000 1.196 2441 G CA -0.728 43.976 45.100 -0.659 0.000 0.908 2441 G HN 0.061 nan 8.290 nan 0.000 0.524 2442 N N 0.127 118.805 118.700 -0.036 0.000 2.430 2442 N HA 0.279 5.019 4.740 0.001 0.000 0.265 2442 N C 0.175 175.718 175.510 0.055 0.000 1.100 2442 N CA -0.179 52.880 53.050 0.015 0.000 0.961 2442 N CB 1.709 40.188 38.487 -0.014 0.000 1.075 2442 N HN 0.448 nan 8.380 nan 0.000 0.478 2443 V N 0.502 120.460 119.914 0.073 0.000 2.581 2443 V HA 0.652 4.772 4.120 0.001 0.000 0.303 2443 V C -0.101 175.972 176.094 -0.035 0.000 1.041 2443 V CA -0.987 61.341 62.300 0.046 0.000 0.907 2443 V CB 2.025 33.943 31.823 0.159 0.000 0.994 2443 V HN 0.605 nan 8.190 nan 0.000 0.442 2444 M N 5.804 125.331 119.600 -0.121 0.000 2.093 2444 M HA 0.504 4.984 4.480 0.001 0.000 0.297 2444 M C -1.586 174.725 176.300 0.018 0.000 0.938 2444 M CA -0.632 54.621 55.300 -0.077 0.000 0.920 2444 M CB 1.480 33.938 32.600 -0.238 0.000 1.517 2444 M HN 0.904 nan 8.290 nan 0.000 0.427 2445 L N 6.306 127.571 121.223 0.070 0.000 2.268 2445 L HA 0.367 4.708 4.340 0.001 0.000 0.289 2445 L C -1.493 175.456 176.870 0.132 0.000 1.064 2445 L CA -0.662 54.224 54.840 0.077 0.000 0.824 2445 L CB 0.573 42.621 42.059 -0.019 0.000 1.202 2445 L HN 0.755 nan 8.230 nan 0.000 0.433 2446 L N 6.168 127.527 121.223 0.226 0.000 2.328 2446 L HA 0.350 4.691 4.340 0.001 0.000 0.280 2446 L C 0.451 177.455 176.870 0.224 0.000 1.111 2446 L CA 0.334 55.331 54.840 0.262 0.000 0.909 2446 L CB 0.585 42.878 42.059 0.391 0.000 1.277 2446 L HN 0.550 nan 8.230 nan 0.000 0.433 2447 R N 2.089 122.641 120.500 0.087 0.000 2.531 2447 R HA 0.722 5.062 4.340 0.001 0.000 0.273 2447 R C -0.026 176.342 176.300 0.113 0.000 1.070 2447 R CA -0.404 55.709 56.100 0.022 0.000 1.112 2447 R CB 0.883 31.020 30.300 -0.272 0.000 1.049 2447 R HN 0.595 nan 8.270 nan 0.000 0.508 2448 A N 2.815 125.749 122.820 0.191 0.000 2.371 2448 A HA 0.139 4.460 4.320 0.001 0.000 0.257 2448 A C 0.677 178.335 177.584 0.124 0.000 1.089 2448 A CA -0.335 51.811 52.037 0.182 0.000 0.794 2448 A CB 0.817 19.975 19.000 0.264 0.000 1.029 2448 A HN 1.012 nan 8.150 nan 0.000 0.488 2449 K N 0.549 121.007 120.400 0.097 0.000 2.044 2449 K HA -0.025 4.296 4.320 0.001 0.000 0.204 2449 K C 0.065 176.710 176.600 0.076 0.000 1.049 2449 K CA 1.427 57.756 56.287 0.070 0.000 0.945 2449 K CB -0.023 32.511 32.500 0.056 0.000 0.724 2449 K HN 0.735 nan 8.250 nan 0.000 0.440 2450 T N 0.894 115.502 114.554 0.090 0.000 2.771 2450 T HA 0.396 4.747 4.350 0.001 0.000 0.291 2450 T C 0.124 174.893 174.700 0.116 0.000 0.954 2450 T CA -0.738 61.415 62.100 0.088 0.000 1.045 2450 T CB 1.617 70.531 68.868 0.078 0.000 0.917 2450 T HN 0.319 nan 8.240 nan 0.000 0.484 2459 G N 0.559 109.392 108.800 0.055 0.000 2.741 2459 G HA2 0.501 4.461 3.960 0.001 0.000 0.336 2459 G HA3 0.501 4.461 3.960 0.001 0.000 0.336 2459 G C 1.024 175.918 174.900 -0.010 0.000 1.022 2459 G CA 0.498 45.614 45.100 0.026 0.000 1.193 2459 G HN 0.376 nan 8.290 nan 0.000 0.455 2460 A N 2.108 124.904 122.820 -0.040 0.000 2.744 2460 A HA -0.224 4.096 4.320 0.001 0.000 0.300 2460 A C 1.124 178.602 177.584 -0.176 0.000 1.512 2460 A CA 1.946 53.897 52.037 -0.144 0.000 0.851 2460 A CB -1.360 17.588 19.000 -0.087 0.000 0.987 2460 A HN 0.789 nan 8.150 nan 0.000 0.507 2461 D N -3.277 117.033 120.400 -0.150 0.000 2.204 2461 D HA 0.106 4.747 4.640 0.001 0.000 0.337 2461 D C 0.495 176.796 176.300 0.001 0.000 1.054 2461 D CA 0.716 54.659 54.000 -0.094 0.000 0.869 2461 D CB -0.018 40.764 40.800 -0.031 0.000 1.548 2461 D HN 0.647 nan 8.370 nan 0.000 0.530 2462 Y N 1.434 121.678 120.300 -0.093 0.000 3.721 2462 Y HA -0.379 4.171 4.550 0.000 0.000 0.218 2462 Y C 0.754 176.606 175.900 -0.080 0.000 1.188 2462 Y CA 0.546 58.576 58.100 -0.117 0.000 1.607 2462 Y CB -2.020 36.360 38.460 -0.135 0.000 1.496 2462 Y HN 0.311 nan 8.280 nan 0.000 0.626 2463 N N -0.615 118.134 118.700 0.081 0.000 2.800 2463 N HA -0.269 4.471 4.740 0.001 0.000 0.250 2463 N C 0.985 176.486 175.510 -0.016 0.000 1.078 2463 N CA 0.451 53.509 53.050 0.014 0.000 0.804 2463 N CB -0.937 37.544 38.487 -0.010 0.000 1.135 2463 N HN 0.540 nan 8.380 nan 0.000 0.565 2464 L N 0.628 121.852 121.223 0.001 0.000 2.013 2464 L HA -0.231 4.109 4.340 0.001 0.000 0.212 2464 L C 2.511 179.378 176.870 -0.004 0.000 1.073 2464 L CA 2.257 57.088 54.840 -0.016 0.000 0.753 2464 L CB -0.584 41.486 42.059 0.018 0.000 0.890 2464 L HN 0.457 nan 8.230 nan 0.000 0.432 2465 S N -0.909 114.790 115.700 -0.001 0.000 2.420 2465 S HA -0.314 4.157 4.470 0.001 0.000 0.237 2465 S C 1.842 176.436 174.600 -0.010 0.000 1.023 2465 S CA 1.475 59.674 58.200 -0.001 0.000 0.991 2465 S CB -0.447 62.749 63.200 -0.006 0.000 0.792 2465 S HN 0.418 nan 8.310 nan 0.000 0.488 2466 Q N 1.511 121.298 119.800 -0.021 0.000 2.226 2466 Q HA -0.053 4.287 4.340 0.001 0.000 0.204 2466 Q C 1.775 177.758 176.000 -0.028 0.000 0.975 2466 Q CA 1.846 57.631 55.803 -0.029 0.000 0.866 2466 Q CB -0.274 28.439 28.738 -0.042 0.000 0.915 2466 Q HN 0.740 nan 8.270 nan 0.000 0.440 2467 V N -4.533 115.370 119.914 -0.019 0.000 3.502 2467 V HA 0.418 4.538 4.120 0.001 0.000 0.288 2467 V C 0.375 176.537 176.094 0.113 0.000 1.461 2467 V CA -0.506 61.815 62.300 0.035 0.000 1.029 2467 V CB -0.171 31.654 31.823 0.004 0.000 0.843 2467 V HN 0.186 nan 8.190 nan 0.000 0.438 2468 C N 1.185 120.531 119.300 0.076 0.000 2.435 2468 C HA 0.665 5.126 4.460 0.001 0.000 0.333 2468 C C 0.860 175.812 174.990 -0.063 0.000 1.202 2468 C CA -0.240 58.817 59.018 0.065 0.000 1.830 2468 C CB 1.786 29.617 27.740 0.151 0.000 2.326 2468 C HN 0.470 nan 8.230 nan 0.000 0.507 2469 D N 0.463 120.757 120.400 -0.178 0.000 2.514 2469 D HA 0.127 4.767 4.640 0.001 0.000 0.249 2469 D C 1.326 177.590 176.300 -0.061 0.000 1.036 2469 D CA 0.518 54.423 54.000 -0.158 0.000 0.911 2469 D CB -0.084 40.526 40.800 -0.317 0.000 1.145 2469 D HN 0.743 nan 8.370 nan 0.000 0.495 2470 G N 1.044 109.803 108.800 -0.068 0.000 2.527 2470 G HA2 0.052 4.012 3.960 0.001 0.000 0.279 2470 G HA3 0.052 4.012 3.960 0.001 0.000 0.279 2470 G C 0.029 174.930 174.900 0.001 0.000 1.374 2470 G CA -0.399 44.691 45.100 -0.016 0.000 1.053 2470 G HN -0.016 nan 8.290 nan 0.000 0.539 2471 K N -0.731 119.672 120.400 0.005 0.000 2.416 2471 K HA 0.309 4.629 4.320 0.001 0.000 0.283 2471 K C -0.848 175.763 176.600 0.019 0.000 1.037 2471 K CA -0.043 56.250 56.287 0.009 0.000 0.995 2471 K CB 1.336 33.840 32.500 0.007 0.000 0.938 2471 K HN 0.051 nan 8.250 nan 0.000 0.475 2472 V N 3.327 123.251 119.914 0.017 0.000 2.349 2472 V HA 0.116 4.236 4.120 0.001 0.000 0.284 2472 V C -0.516 175.583 176.094 0.009 0.000 1.014 2472 V CA -0.677 61.637 62.300 0.024 0.000 0.826 2472 V CB 1.194 33.031 31.823 0.024 0.000 1.009 2472 V HN 0.869 nan 8.190 nan 0.000 0.431 2473 S N 4.224 119.936 115.700 0.020 0.000 2.456 2473 S HA 0.733 5.204 4.470 0.001 0.000 0.316 2473 S C -0.613 174.022 174.600 0.058 0.000 1.089 2473 S CA -0.724 57.486 58.200 0.017 0.000 1.101 2473 S CB 1.715 64.944 63.200 0.049 0.000 0.995 2473 S HN 0.879 nan 8.310 nan 0.000 0.468 2474 V N 3.115 123.022 119.914 -0.012 0.000 2.417 2474 V HA 0.636 4.756 4.120 0.001 0.000 0.291 2474 V C -1.446 174.636 176.094 -0.019 0.000 1.024 2474 V CA -0.400 61.913 62.300 0.022 0.000 0.861 2474 V CB 0.649 32.430 31.823 -0.070 0.000 0.985 2474 V HN 0.990 nan 8.190 nan 0.000 0.436 2475 H N 3.746 122.819 119.070 0.005 0.000 2.458 2475 H HA 0.638 5.195 4.556 0.001 0.000 0.330 2475 H C -0.257 175.080 175.328 0.015 0.000 1.111 2475 H CA -0.516 55.545 56.048 0.022 0.000 1.245 2475 H CB 1.948 31.746 29.762 0.059 0.000 1.456 2475 H HN 0.616 nan 8.280 nan 0.000 0.488 2476 V N 5.222 125.200 119.914 0.107 0.000 2.364 2476 V HA 0.136 4.256 4.120 0.001 0.000 0.272 2476 V C 0.069 176.216 176.094 0.089 0.000 1.036 2476 V CA -0.511 61.830 62.300 0.068 0.000 0.880 2476 V CB 0.298 32.137 31.823 0.027 0.000 0.991 2476 V HN 0.571 nan 8.190 nan 0.000 0.460 2477 I N 3.630 124.256 120.570 0.092 0.000 2.488 2477 I HA 0.399 4.569 4.170 0.001 0.000 0.299 2477 I C 0.398 176.552 176.117 0.061 0.000 0.984 2477 I CA -1.022 60.324 61.300 0.077 0.000 1.250 2477 I CB 1.421 39.464 38.000 0.073 0.000 1.389 2477 I HN 0.545 nan 8.210 nan 0.000 0.488 2478 E N 3.099 123.326 120.200 0.044 0.000 2.324 2478 E HA 0.507 4.857 4.350 0.001 0.000 0.271 2478 E C 0.514 177.136 176.600 0.037 0.000 1.028 2478 E CA 0.378 56.801 56.400 0.037 0.000 0.890 2478 E CB 0.310 30.025 29.700 0.026 0.000 1.004 2478 E HN 0.871 nan 8.360 nan 0.000 0.431 2479 G N 2.818 111.647 108.800 0.048 0.000 2.373 2479 G HA2 0.043 4.004 3.960 0.001 0.000 0.634 2479 G HA3 0.043 4.004 3.960 0.001 0.000 0.634 2479 G C -1.090 173.863 174.900 0.087 0.000 1.267 2479 G CA -0.413 44.720 45.100 0.054 0.000 1.008 2479 G HN 0.647 nan 8.290 nan 0.000 0.497 2480 D N -2.807 117.654 120.400 0.102 0.000 2.588 2480 D HA 0.564 5.205 4.640 0.001 0.000 0.268 2480 D C 1.240 177.669 176.300 0.215 0.000 1.176 2480 D CA -0.008 54.087 54.000 0.158 0.000 1.080 2480 D CB 0.407 41.294 40.800 0.145 0.000 1.186 2480 D HN 0.612 nan 8.370 nan 0.000 0.619 2481 H N -1.044 118.141 119.070 0.191 0.000 2.431 2481 H HA -0.094 4.463 4.556 0.001 0.000 0.297 2481 H C 1.455 176.955 175.328 0.286 0.000 1.115 2481 H CA 1.946 58.152 56.048 0.263 0.000 1.277 2481 H CB 0.362 30.269 29.762 0.242 0.000 1.372 2481 H HN 0.162 nan 8.280 nan 0.000 0.516 2482 R N -1.194 119.399 120.500 0.155 0.000 2.175 2482 R HA 0.049 4.390 4.340 0.001 0.000 0.202 2482 R C 2.294 178.590 176.300 -0.008 0.000 1.018 2482 R CA 1.250 57.395 56.100 0.076 0.000 1.029 2482 R CB -0.469 29.891 30.300 0.101 0.000 0.959 2482 R HN 0.572 nan 8.270 nan 0.000 0.480 2483 T N -0.422 114.140 114.554 0.015 0.000 3.043 2483 T HA 0.005 4.355 4.350 0.001 0.000 0.263 2483 T C 2.033 176.708 174.700 -0.042 0.000 1.094 2483 T CA 0.425 62.515 62.100 -0.017 0.000 1.127 2483 T CB -0.270 68.603 68.868 0.009 0.000 0.905 2483 T HN 0.145 nan 8.240 nan 0.000 0.490 2484 L N 0.453 121.663 121.223 -0.021 0.000 2.054 2484 L HA -0.078 4.262 4.340 0.001 0.000 0.220 2484 L C 1.969 178.765 176.870 -0.124 0.000 1.081 2484 L CA 1.775 56.596 54.840 -0.032 0.000 0.780 2484 L CB -0.408 41.670 42.059 0.032 0.000 0.893 2484 L HN 0.293 nan 8.230 nan 0.000 0.438 2485 L N -0.845 120.242 121.223 -0.226 0.000 2.627 2485 L HA 0.114 4.454 4.340 0.001 0.000 0.232 2485 L C 0.403 177.148 176.870 -0.209 0.000 1.150 2485 L CA -0.291 54.363 54.840 -0.309 0.000 0.917 2485 L CB -0.100 41.660 42.059 -0.497 0.000 1.104 2485 L HN 0.348 nan 8.230 nan 0.000 0.445 2489 G N 2.554 111.342 108.800 -0.020 0.000 2.509 2489 G HA2 -0.084 3.877 3.960 0.001 0.000 0.218 2489 G HA3 -0.084 3.877 3.960 0.001 0.000 0.218 2489 G C 1.267 176.139 174.900 -0.046 0.000 1.124 2489 G CA 0.992 46.081 45.100 -0.018 0.000 0.776 2489 G HN 0.647 nan 8.290 nan 0.000 0.547 2490 L N 0.623 121.806 121.223 -0.067 0.000 2.046 2490 L HA 0.009 4.349 4.340 0.001 0.000 0.208 2490 L C 2.519 179.351 176.870 -0.065 0.000 1.077 2490 L CA 1.827 56.609 54.840 -0.096 0.000 0.747 2490 L CB -0.415 41.587 42.059 -0.095 0.000 0.896 2490 L HN 0.119 nan 8.230 nan 0.000 0.432 2491 E N -0.103 120.077 120.200 -0.033 0.000 2.085 2491 E HA -0.192 4.158 4.350 0.001 0.000 0.194 2491 E C 2.173 178.774 176.600 0.001 0.000 0.994 2491 E CA 1.593 57.987 56.400 -0.010 0.000 0.801 2491 E CB -0.485 29.215 29.700 -0.002 0.000 0.743 2491 E HN 0.599 nan 8.360 nan 0.000 0.453 2492 S N 1.238 116.938 115.700 0.001 0.000 2.359 2492 S HA -0.121 4.349 4.470 0.001 0.000 0.224 2492 S C 2.228 176.830 174.600 0.004 0.000 1.035 2492 S CA 0.966 59.177 58.200 0.017 0.000 1.018 2492 S CB -0.320 62.897 63.200 0.029 0.000 0.876 2492 S HN 0.200 nan 8.310 nan 0.000 0.448 2493 I N 1.432 121.984 120.570 -0.030 0.000 2.226 2493 I HA -0.185 3.985 4.170 0.001 0.000 0.245 2493 I C 2.042 178.117 176.117 -0.071 0.000 1.100 2493 I CA 1.237 62.502 61.300 -0.057 0.000 1.374 2493 I CB -0.437 37.470 38.000 -0.155 0.000 1.057 2493 I HN 0.250 nan 8.210 nan 0.000 0.413 2494 I N -0.156 120.373 120.570 -0.068 0.000 2.286 2494 I HA -0.249 3.921 4.170 0.001 0.000 0.248 2494 I C 2.552 178.704 176.117 0.058 0.000 1.115 2494 I CA 1.101 62.364 61.300 -0.062 0.000 1.392 2494 I CB -0.373 37.632 38.000 0.009 0.000 1.065 2494 I HN 0.132 nan 8.210 nan 0.000 0.418 2495 S N 0.965 116.713 115.700 0.081 0.000 2.355 2495 S HA -0.046 4.424 4.470 0.001 0.000 0.222 2495 S C 2.036 176.693 174.600 0.095 0.000 1.031 2495 S CA 1.107 59.376 58.200 0.115 0.000 0.993 2495 S CB -0.235 63.008 63.200 0.073 0.000 0.859 2495 S HN 0.319 nan 8.310 nan 0.000 0.453 2496 I N 1.411 122.005 120.570 0.040 0.000 2.163 2496 I HA -0.210 3.961 4.170 0.001 0.000 0.243 2496 I C 2.061 178.223 176.117 0.075 0.000 1.085 2496 I CA 1.327 62.635 61.300 0.014 0.000 1.347 2496 I CB -0.475 37.458 38.000 -0.112 0.000 1.044 2496 I HN 0.249 nan 8.210 nan 0.000 0.408 2497 I N -0.241 120.339 120.570 0.018 0.000 2.202 2497 I HA -0.295 3.875 4.170 0.001 0.000 0.242 2497 I C 2.702 178.796 176.117 -0.040 0.000 1.091 2497 I CA 1.226 62.481 61.300 -0.075 0.000 1.368 2497 I CB -0.664 37.121 38.000 -0.358 0.000 1.058 2497 I HN 0.285 nan 8.210 nan 0.000 0.410 2498 H N 0.625 119.687 119.070 -0.014 0.000 2.290 2498 H HA -0.155 4.401 4.556 0.001 0.000 0.298 2498 H C 2.642 177.987 175.328 0.028 0.000 1.087 2498 H CA 2.066 58.111 56.048 -0.005 0.000 1.291 2498 H CB -0.477 29.277 29.762 -0.013 0.000 1.369 2498 H HN 0.371 nan 8.280 nan 0.000 0.492 2499 S N 0.139 115.946 115.700 0.177 0.000 2.419 2499 S HA -0.099 4.371 4.470 0.001 0.000 0.233 2499 S C 2.147 176.820 174.600 0.122 0.000 1.016 2499 S CA 1.056 59.330 58.200 0.124 0.000 0.974 2499 S CB -0.124 63.139 63.200 0.104 0.000 0.786 2499 S HN 0.208 nan 8.310 nan 0.000 0.492 2500 S N 2.328 118.120 115.700 0.153 0.000 2.359 2500 S HA 0.263 4.733 4.470 0.001 0.000 0.186 2500 S C 0.626 175.320 174.600 0.157 0.000 1.163 2500 S CA 0.112 58.416 58.200 0.175 0.000 1.479 2500 S CB -0.868 62.514 63.200 0.303 0.000 0.880 2500 S HN 0.531 nan 8.310 nan 0.000 0.395 2501 L N 2.728 124.068 121.223 0.196 0.000 3.027 2501 L HA -0.072 4.268 4.340 0.001 0.000 0.300 2501 L C 0.979 177.909 176.870 0.101 0.000 0.991 2501 L CA -0.656 54.268 54.840 0.140 0.000 1.110 2501 L CB -1.786 40.335 42.059 0.105 0.000 1.587 2501 L HN 0.442 nan 8.230 nan 0.000 0.419 2502 A N 0.000 122.871 122.820 0.085 0.000 2.254 2502 A HA 0.000 4.320 4.320 0.001 0.000 0.244 2502 A CA 0.000 52.076 52.037 0.065 0.000 0.836 2502 A CB 0.000 19.031 19.000 0.051 0.000 0.831 2502 A HN 0.000 nan 8.150 nan 0.000 0.486