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 1lm7_1_A DATA FIRST_RESID 2209 DATA SEQUENCE SFQGIRQPVT VTELVDSGIL RPSTVNELES GXXSYDEVGE RIKDFLQGSS DATA SEQUENCE CIAGIYNETT KQKLGIYEAM KIGLVRPGTA LELLEAQAAT GFIVDPVSNL DATA SEQUENCE RLPVEEAYKR GLVGIEFKEK LLSAERAVTG YNDPETGNII SLFQAMNKEL DATA SEQUENCE IEKGHGIRLL EAQIATGGII DPKESHRLPV DIAYKRGYFN EELSEILSDP DATA SEQUENCE SDDTKGFFDP NTEENLTYLQ LKERCIKDEE TGLCLLPLKE 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 2209 S HA 0.000 nan 4.470 nan 0.000 0.327 2209 S C 0.000 174.540 174.600 -0.100 0.000 1.055 2209 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 2209 S CB 0.000 63.151 63.200 -0.081 0.000 0.593 2210 F N 3.177 123.191 119.950 0.107 0.000 2.380 2210 F HA 0.553 5.079 4.527 -0.001 0.000 0.325 2210 F C 0.938 176.777 175.800 0.065 0.000 1.136 2210 F CA -0.294 57.760 58.000 0.089 0.000 1.171 2210 F CB 0.426 39.456 39.000 0.049 0.000 1.230 2210 F HN 0.032 nan 8.300 nan 0.000 0.554 2211 Q N 1.308 121.267 119.800 0.264 0.000 2.296 2211 Q HA 0.347 4.685 4.340 -0.003 0.000 0.257 2211 Q C 0.238 176.346 176.000 0.181 0.000 0.942 2211 Q CA -0.235 55.675 55.803 0.178 0.000 0.939 2211 Q CB 1.552 30.373 28.738 0.137 0.000 1.198 2211 Q HN 0.915 nan 8.270 nan 0.000 0.429 2212 G N 2.305 111.204 108.800 0.165 0.000 2.606 2212 G HA2 0.294 4.253 3.960 -0.003 0.000 0.262 2212 G HA3 0.294 4.253 3.960 -0.003 0.000 0.262 2212 G C 1.161 176.171 174.900 0.183 0.000 1.394 2212 G CA -0.547 44.656 45.100 0.172 0.000 1.044 2212 G HN 0.520 nan 8.290 nan 0.000 0.553 2213 I N -0.221 120.441 120.570 0.152 0.000 2.069 2213 I HA -0.126 4.043 4.170 -0.003 0.000 0.237 2213 I C 2.642 178.826 176.117 0.112 0.000 1.053 2213 I CA 1.578 62.946 61.300 0.112 0.000 1.311 2213 I CB -1.034 36.923 38.000 -0.071 0.000 1.030 2213 I HN 0.359 nan 8.210 nan 0.000 0.398 2214 R N 0.295 120.825 120.500 0.051 0.000 2.013 2214 R HA 0.228 4.566 4.340 -0.003 0.000 0.198 2214 R C 1.010 177.354 176.300 0.074 0.000 1.407 2214 R CA 0.103 56.234 56.100 0.053 0.000 1.140 2214 R CB -0.596 29.705 30.300 0.001 0.000 1.011 2214 R HN 0.451 nan 8.270 nan 0.000 0.472 2215 Q N 1.804 121.642 119.800 0.063 0.000 2.417 2215 Q HA 0.229 4.567 4.340 -0.003 0.000 0.241 2215 Q C -2.272 173.783 176.000 0.093 0.000 1.008 2215 Q CA -1.563 54.282 55.803 0.069 0.000 0.901 2215 Q CB 0.096 28.872 28.738 0.062 0.000 1.259 2215 Q HN 0.027 nan 8.270 nan 0.000 0.489 2216 P HA 0.139 nan 4.420 nan 0.000 0.279 2216 P C -1.221 176.147 177.300 0.114 0.000 1.252 2216 P CA -0.301 62.859 63.100 0.100 0.000 0.811 2216 P CB 0.833 32.575 31.700 0.071 0.000 1.035 2217 V N 2.151 122.152 119.914 0.146 0.000 2.448 2217 V HA 0.248 4.366 4.120 -0.003 0.000 0.295 2217 V C 0.434 176.632 176.094 0.173 0.000 1.025 2217 V CA -0.356 62.022 62.300 0.130 0.000 0.859 2217 V CB 1.590 33.444 31.823 0.052 0.000 0.988 2217 V HN 0.512 nan 8.190 nan 0.000 0.431 2218 T N 3.611 118.237 114.554 0.119 0.000 2.926 2218 T HA 0.103 4.452 4.350 -0.003 0.000 0.307 2218 T C 1.245 176.035 174.700 0.149 0.000 1.059 2218 T CA -0.022 62.150 62.100 0.121 0.000 1.122 2218 T CB 1.460 70.376 68.868 0.080 0.000 0.972 2218 T HN 0.422 nan 8.240 nan 0.000 0.545 2219 V N 3.160 123.182 119.914 0.179 0.000 2.667 2219 V HA -0.115 4.003 4.120 -0.003 0.000 0.252 2219 V C 2.546 178.683 176.094 0.073 0.000 1.065 2219 V CA 1.799 64.210 62.300 0.185 0.000 1.083 2219 V CB -0.662 31.283 31.823 0.204 0.000 0.692 2219 V HN 0.996 nan 8.190 nan 0.000 0.468 2220 T N -0.325 114.266 114.554 0.061 0.000 2.701 2220 T HA -0.187 4.161 4.350 -0.003 0.000 0.263 2220 T C 1.922 176.635 174.700 0.022 0.000 1.040 2220 T CA 1.604 63.725 62.100 0.035 0.000 1.147 2220 T CB -0.244 68.647 68.868 0.039 0.000 0.865 2220 T HN 0.474 nan 8.240 nan 0.000 0.426 2221 E N 1.446 121.665 120.200 0.032 0.000 2.147 2221 E HA -0.138 4.211 4.350 -0.003 0.000 0.199 2221 E C 1.909 178.500 176.600 -0.015 0.000 1.005 2221 E CA 1.332 57.753 56.400 0.035 0.000 0.810 2221 E CB -0.705 29.028 29.700 0.056 0.000 0.736 2221 E HN 0.515 nan 8.360 nan 0.000 0.460 2222 L N -0.857 120.311 121.223 -0.092 0.000 2.131 2222 L HA -0.051 4.287 4.340 -0.003 0.000 0.206 2222 L C 2.437 179.229 176.870 -0.129 0.000 1.087 2222 L CA 0.610 55.337 54.840 -0.188 0.000 0.767 2222 L CB -0.233 41.658 42.059 -0.280 0.000 0.917 2222 L HN 0.042 nan 8.230 nan 0.000 0.441 2223 V N -0.251 119.616 119.914 -0.078 0.000 2.453 2223 V HA -0.231 3.887 4.120 -0.003 0.000 0.247 2223 V C 2.023 178.094 176.094 -0.039 0.000 1.048 2223 V CA 1.647 63.909 62.300 -0.063 0.000 1.049 2223 V CB -0.465 31.337 31.823 -0.036 0.000 0.672 2223 V HN 0.439 nan 8.190 nan 0.000 0.457 2224 D N -0.133 120.259 120.400 -0.013 0.000 2.178 2224 D HA -0.116 4.522 4.640 -0.003 0.000 0.202 2224 D C 2.203 178.510 176.300 0.011 0.000 0.974 2224 D CA 1.319 55.322 54.000 0.007 0.000 0.841 2224 D CB -0.097 40.720 40.800 0.028 0.000 0.953 2224 D HN 0.340 nan 8.370 nan 0.000 0.478 2225 S N -0.618 115.091 115.700 0.015 0.000 2.595 2225 S HA 0.115 4.583 4.470 -0.003 0.000 0.235 2225 S C 1.414 175.999 174.600 -0.025 0.000 0.974 2225 S CA 0.674 58.898 58.200 0.040 0.000 0.942 2225 S CB -0.151 63.123 63.200 0.122 0.000 0.766 2225 S HN 0.495 nan 8.310 nan 0.000 0.536 2226 G N 0.818 109.584 108.800 -0.057 0.000 2.198 2226 G HA2 -0.261 3.698 3.960 -0.003 0.000 0.260 2226 G HA3 -0.261 3.698 3.960 -0.003 0.000 0.260 2226 G C 0.527 175.328 174.900 -0.164 0.000 1.025 2226 G CA 0.671 45.722 45.100 -0.082 0.000 0.769 2226 G HN 0.566 nan 8.290 nan 0.000 0.507 2227 I N -1.197 119.238 120.570 -0.225 0.000 3.136 2227 I HA 0.310 4.478 4.170 -0.003 0.000 0.262 2227 I C 1.321 177.252 176.117 -0.310 0.000 1.132 2227 I CA 0.278 61.343 61.300 -0.392 0.000 1.450 2227 I CB 0.010 37.709 38.000 -0.502 0.000 1.315 2227 I HN 0.047 nan 8.210 nan 0.000 0.460 2228 L N 1.776 122.858 121.223 -0.236 0.000 2.309 2228 L HA 0.411 4.749 4.340 -0.003 0.000 0.282 2228 L C -0.376 176.422 176.870 -0.119 0.000 1.036 2228 L CA -0.701 54.028 54.840 -0.184 0.000 0.806 2228 L CB 1.364 43.314 42.059 -0.182 0.000 1.220 2228 L HN 0.097 nan 8.230 nan 0.000 0.429 2229 R N 2.877 123.319 120.500 -0.096 0.000 2.438 2229 R HA 0.177 4.515 4.340 -0.003 0.000 0.287 2229 R C -1.746 174.525 176.300 -0.049 0.000 1.077 2229 R CA -1.316 54.745 56.100 -0.064 0.000 1.034 2229 R CB -0.141 30.128 30.300 -0.053 0.000 0.993 2229 R HN 0.321 nan 8.270 nan 0.000 0.459 2230 P HA -0.283 nan 4.420 nan 0.000 0.219 2230 P C 0.817 178.106 177.300 -0.019 0.000 1.144 2230 P CA 1.621 64.707 63.100 -0.024 0.000 0.806 2230 P CB 0.188 31.878 31.700 -0.017 0.000 0.771 2231 S N -2.512 113.175 115.700 -0.022 0.000 2.395 2231 S HA -0.086 4.382 4.470 -0.003 0.000 0.225 2231 S C 1.819 176.408 174.600 -0.019 0.000 1.027 2231 S CA 1.442 59.632 58.200 -0.017 0.000 0.965 2231 S CB -1.763 61.427 63.200 -0.016 0.000 0.812 2231 S HN 0.073 nan 8.310 nan 0.000 0.482 2232 T N 1.806 116.342 114.554 -0.030 0.000 2.977 2232 T HA 0.002 4.350 4.350 -0.003 0.000 0.271 2232 T C 1.687 176.368 174.700 -0.032 0.000 1.105 2232 T CA 1.038 63.116 62.100 -0.037 0.000 1.116 2232 T CB -0.482 68.352 68.868 -0.057 0.000 0.878 2232 T HN 0.306 nan 8.240 nan 0.000 0.509 2233 V N 2.120 122.022 119.914 -0.020 0.000 2.346 2233 V HA -0.093 4.025 4.120 -0.003 0.000 0.244 2233 V C 1.827 177.926 176.094 0.009 0.000 1.037 2233 V CA 1.641 63.939 62.300 -0.003 0.000 1.029 2233 V CB -0.467 31.360 31.823 0.007 0.000 0.663 2233 V HN 0.501 nan 8.190 nan 0.000 0.454 2234 N N -0.306 118.398 118.700 0.006 0.000 2.453 2234 N HA -0.142 4.597 4.740 -0.003 0.000 0.183 2234 N C 1.495 177.013 175.510 0.013 0.000 1.041 2234 N CA 0.890 53.947 53.050 0.012 0.000 0.900 2234 N CB 0.023 38.515 38.487 0.007 0.000 0.961 2234 N HN 0.579 nan 8.380 nan 0.000 0.443 2235 E N 0.368 120.571 120.200 0.004 0.000 2.465 2235 E HA 0.105 4.453 4.350 -0.003 0.000 0.191 2235 E C 1.217 177.822 176.600 0.008 0.000 1.053 2235 E CA -0.101 56.302 56.400 0.004 0.000 0.869 2235 E CB 0.324 30.021 29.700 -0.006 0.000 0.977 2235 E HN 0.376 nan 8.360 nan 0.000 0.483 2236 L N 0.347 121.578 121.223 0.013 0.000 2.477 2236 L HA 0.009 4.348 4.340 -0.003 0.000 0.220 2236 L C 2.174 179.115 176.870 0.117 0.000 1.106 2236 L CA 0.481 55.339 54.840 0.030 0.000 0.851 2236 L CB 0.126 42.164 42.059 -0.034 0.000 0.994 2236 L HN 0.153 nan 8.230 nan 0.000 0.462 2237 E N -0.266 119.980 120.200 0.077 0.000 2.170 2237 E HA -0.043 4.305 4.350 -0.003 0.000 0.191 2237 E C 0.833 177.464 176.600 0.052 0.000 0.981 2237 E CA 0.461 56.902 56.400 0.068 0.000 0.830 2237 E CB 0.096 29.823 29.700 0.045 0.000 0.775 2237 E HN 0.276 nan 8.360 nan 0.000 0.470 2238 S N 0.433 116.158 115.700 0.042 0.000 2.489 2238 S HA 0.612 5.081 4.470 -0.003 0.000 0.291 2238 S C 0.658 175.279 174.600 0.035 0.000 1.151 2238 S CA -0.612 57.607 58.200 0.032 0.000 1.082 2238 S CB 1.657 64.869 63.200 0.021 0.000 1.019 2238 S HN 0.308 nan 8.310 nan 0.000 0.492 2243 Y N 0.150 120.465 120.300 0.026 0.000 2.494 2243 Y HA 0.342 4.891 4.550 -0.001 0.000 0.271 2243 Y C 1.241 177.190 175.900 0.082 0.000 1.113 2243 Y CA 0.266 58.382 58.100 0.027 0.000 1.240 2243 Y CB 0.478 38.880 38.460 -0.095 0.000 1.268 2243 Y HN 0.649 nan 8.280 nan 0.000 0.510 2244 D N 0.105 120.626 120.400 0.200 0.000 2.355 2244 D HA -0.038 4.601 4.640 -0.003 0.000 0.218 2244 D C 1.262 177.631 176.300 0.116 0.000 1.004 2244 D CA 0.925 55.011 54.000 0.143 0.000 0.880 2244 D CB 0.210 41.066 40.800 0.093 0.000 0.911 2244 D HN 0.482 nan 8.370 nan 0.000 0.528 2245 E N -0.726 119.538 120.200 0.106 0.000 2.330 2245 E HA 0.042 4.390 4.350 -0.003 0.000 0.200 2245 E C 1.900 178.538 176.600 0.063 0.000 0.922 2245 E CA 0.020 56.462 56.400 0.070 0.000 0.935 2245 E CB 0.572 30.301 29.700 0.048 0.000 0.917 2245 E HN 0.018 nan 8.360 nan 0.000 0.491 2246 V N 1.291 121.252 119.914 0.079 0.000 2.261 2246 V HA -0.176 3.942 4.120 -0.003 0.000 0.246 2246 V C 2.309 178.421 176.094 0.028 0.000 1.047 2246 V CA 2.175 64.499 62.300 0.041 0.000 1.015 2246 V CB -0.806 31.060 31.823 0.072 0.000 0.642 2246 V HN 0.410 nan 8.190 nan 0.000 0.446 2247 G N -1.273 107.649 108.800 0.205 0.000 2.708 2247 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.210 2247 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.210 2247 G C 1.420 176.374 174.900 0.089 0.000 1.141 2247 G CA 0.368 45.565 45.100 0.162 0.000 0.788 2247 G HN 0.432 nan 8.290 nan 0.000 0.531 2248 E N 0.237 120.480 120.200 0.072 0.000 2.431 2248 E HA 0.088 4.436 4.350 -0.003 0.000 0.200 2248 E C 2.428 179.046 176.600 0.029 0.000 0.995 2248 E CA -0.006 56.424 56.400 0.051 0.000 0.915 2248 E CB 0.220 29.951 29.700 0.051 0.000 0.930 2248 E HN 0.445 nan 8.360 nan 0.000 0.496 2249 R N 0.337 120.844 120.500 0.012 0.000 2.189 2249 R HA 0.192 4.530 4.340 -0.003 0.000 0.203 2249 R C 2.026 178.335 176.300 0.015 0.000 1.012 2249 R CA 0.746 56.849 56.100 0.005 0.000 1.015 2249 R CB 0.050 30.341 30.300 -0.015 0.000 0.938 2249 R HN 0.106 nan 8.270 nan 0.000 0.472 2250 I N -1.008 119.554 120.570 -0.014 0.000 3.805 2250 I HA 0.237 4.406 4.170 -0.003 0.000 0.337 2250 I C 1.512 177.686 176.117 0.095 0.000 1.539 2250 I CA -0.232 61.085 61.300 0.029 0.000 1.176 2250 I CB 0.376 38.272 38.000 -0.173 0.000 1.248 2250 I HN -0.088 nan 8.210 nan 0.000 0.437 2251 K N 1.901 122.344 120.400 0.072 0.000 2.032 2251 K HA -0.213 4.105 4.320 -0.003 0.000 0.209 2251 K C 1.152 177.784 176.600 0.053 0.000 1.048 2251 K CA 2.587 58.910 56.287 0.060 0.000 0.927 2251 K CB -0.043 32.479 32.500 0.038 0.000 0.712 2251 K HN 0.375 nan 8.250 nan 0.000 0.441 2252 D N -0.343 120.059 120.400 0.003 0.000 2.271 2252 D HA -0.154 4.485 4.640 -0.003 0.000 0.207 2252 D C 1.354 177.507 176.300 -0.245 0.000 0.983 2252 D CA 1.217 55.129 54.000 -0.147 0.000 0.878 2252 D CB -0.087 40.548 40.800 -0.275 0.000 0.920 2252 D HN 0.274 nan 8.370 nan 0.000 0.479 2253 F N -0.483 119.468 119.950 0.002 0.000 2.262 2253 F HA 0.078 4.603 4.527 -0.003 0.000 0.292 2253 F C 1.903 177.744 175.800 0.068 0.000 1.081 2253 F CA -0.005 58.014 58.000 0.032 0.000 1.355 2253 F CB -0.313 38.696 39.000 0.015 0.000 1.069 2253 F HN -0.119 nan 8.300 nan 0.000 0.506 2254 L N 0.083 121.432 121.223 0.210 0.000 1.971 2254 L HA -0.241 4.097 4.340 -0.003 0.000 0.215 2254 L C 2.135 179.110 176.870 0.174 0.000 1.072 2254 L CA 2.096 57.031 54.840 0.159 0.000 0.758 2254 L CB -1.037 41.090 42.059 0.113 0.000 0.889 2254 L HN 0.245 nan 8.230 nan 0.000 0.433 2255 Q N -2.296 117.593 119.800 0.148 0.000 2.404 2255 Q HA 0.457 4.795 4.340 -0.003 0.000 0.262 2255 Q C 0.795 176.878 176.000 0.139 0.000 0.846 2255 Q CA 0.591 56.510 55.803 0.193 0.000 0.978 2255 Q CB 1.374 30.246 28.738 0.223 0.000 1.156 2255 Q HN 0.397 nan 8.270 nan 0.000 0.548 2256 G N 1.934 110.766 108.800 0.054 0.000 2.440 2256 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.684 2256 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.684 2256 G C -0.468 174.424 174.900 -0.013 0.000 1.309 2256 G CA -0.360 44.733 45.100 -0.012 0.000 0.931 2256 G HN 0.307 nan 8.290 nan 0.000 0.612 2257 S N -0.768 114.905 115.700 -0.046 0.000 2.681 2257 S HA 0.779 5.247 4.470 -0.003 0.000 0.270 2257 S C 0.905 175.508 174.600 0.005 0.000 1.209 2257 S CA 0.565 58.745 58.200 -0.033 0.000 0.988 2257 S CB 1.636 64.800 63.200 -0.059 0.000 1.006 2257 S HN 2.101 nan 8.310 nan 0.000 0.558 2258 S N -0.372 115.330 115.700 0.004 0.000 2.568 2258 S HA 0.328 4.796 4.470 -0.003 0.000 0.282 2258 S C 0.531 175.159 174.600 0.047 0.000 1.338 2258 S CA -0.349 57.865 58.200 0.023 0.000 1.045 2258 S CB -1.176 62.026 63.200 0.004 0.000 0.873 2258 S HN 1.004 nan 8.310 nan 0.000 0.516 2259 C N 3.636 122.986 119.300 0.083 0.000 2.824 2259 C HA 0.635 5.094 4.460 -0.003 0.000 0.405 2259 C C 0.423 175.460 174.990 0.079 0.000 2.178 2259 C CA -1.176 57.934 59.018 0.153 0.000 1.755 2259 C CB -0.679 27.201 27.740 0.234 0.000 2.291 2259 C HN 0.765 nan 8.230 nan 0.000 0.462 2260 I N 2.230 122.857 120.570 0.095 0.000 2.278 2260 I HA 0.217 4.385 4.170 -0.003 0.000 0.300 2260 I C 1.537 177.708 176.117 0.089 0.000 1.174 2260 I CA 0.174 61.488 61.300 0.023 0.000 1.347 2260 I CB 0.157 38.133 38.000 -0.041 0.000 1.473 2260 I HN 0.841 nan 8.210 nan 0.000 0.595 2261 A N 4.855 127.717 122.820 0.071 0.000 1.898 2261 A HA 0.202 4.520 4.320 -0.003 0.000 0.216 2261 A C 1.291 178.926 177.584 0.085 0.000 1.181 2261 A CA 1.544 53.629 52.037 0.081 0.000 0.620 2261 A CB -0.197 18.839 19.000 0.060 0.000 0.819 2261 A HN 0.689 nan 8.150 nan 0.000 0.442 2262 G N -2.332 106.514 108.800 0.077 0.000 2.753 2262 G HA2 0.538 4.496 3.960 -0.003 0.000 0.303 2262 G HA3 0.538 4.496 3.960 -0.003 0.000 0.303 2262 G C -1.015 173.938 174.900 0.088 0.000 1.242 2262 G CA -0.471 44.682 45.100 0.087 0.000 0.810 2262 G HN 0.189 nan 8.290 nan 0.000 0.515 2263 I N -0.615 120.013 120.570 0.096 0.000 2.957 2263 I HA 0.548 4.716 4.170 -0.003 0.000 0.310 2263 I C -1.589 174.621 176.117 0.154 0.000 1.063 2263 I CA -1.004 60.360 61.300 0.108 0.000 1.033 2263 I CB 2.626 40.675 38.000 0.081 0.000 1.230 2263 I HN 0.498 nan 8.210 nan 0.000 0.447 2264 Y N 4.690 124.998 120.300 0.013 0.000 2.301 2264 Y HA 0.321 4.869 4.550 -0.003 0.000 0.325 2264 Y C -1.109 174.795 175.900 0.007 0.000 1.103 2264 Y CA -1.138 56.967 58.100 0.009 0.000 1.182 2264 Y CB 0.855 39.317 38.460 0.003 0.000 1.139 2264 Y HN 0.606 nan 8.280 nan 0.000 0.443 2265 N N 4.937 123.500 118.700 -0.227 0.000 2.419 2265 N HA 0.082 4.820 4.740 -0.003 0.000 0.264 2265 N C 0.357 175.742 175.510 -0.209 0.000 1.031 2265 N CA -0.260 52.716 53.050 -0.123 0.000 0.951 2265 N CB 1.460 39.895 38.487 -0.086 0.000 1.101 2265 N HN 0.714 nan 8.380 nan 0.000 0.488 2266 E N 1.763 121.965 120.200 0.003 0.000 2.233 2266 E HA -0.179 4.169 4.350 -0.003 0.000 0.199 2266 E C 0.828 177.414 176.600 -0.024 0.000 1.004 2266 E CA 1.470 57.903 56.400 0.054 0.000 0.819 2266 E CB -0.463 29.292 29.700 0.091 0.000 0.738 2266 E HN 0.717 nan 8.360 nan 0.000 0.478 2267 T N 0.795 115.318 114.554 -0.052 0.000 2.614 2267 T HA -0.146 4.202 4.350 -0.003 0.000 0.263 2267 T C 2.142 176.800 174.700 -0.071 0.000 1.055 2267 T CA 2.469 64.540 62.100 -0.048 0.000 1.162 2267 T CB -0.482 68.361 68.868 -0.041 0.000 0.863 2267 T HN 0.465 nan 8.240 nan 0.000 0.414 2268 T N -1.309 113.176 114.554 -0.114 0.000 3.065 2268 T HA 0.165 4.514 4.350 -0.003 0.000 0.252 2268 T C 0.770 175.377 174.700 -0.155 0.000 1.099 2268 T CA 0.179 62.211 62.100 -0.113 0.000 1.063 2268 T CB -0.088 68.718 68.868 -0.104 0.000 0.948 2268 T HN 0.231 nan 8.240 nan 0.000 0.506 2269 K N 0.485 120.720 120.400 -0.275 0.000 3.339 2269 K HA -0.102 4.216 4.320 -0.003 0.000 0.299 2269 K C -0.590 175.777 176.600 -0.388 0.000 1.270 2269 K CA 0.599 56.681 56.287 -0.343 0.000 0.875 2269 K CB -1.556 30.902 32.500 -0.069 0.000 1.298 2269 K HN 0.537 nan 8.250 nan 0.000 0.485 2270 Q N 0.930 120.472 119.800 -0.430 0.000 2.248 2270 Q HA 0.380 4.718 4.340 -0.003 0.000 0.263 2270 Q C 0.387 176.233 176.000 -0.256 0.000 1.007 2270 Q CA -0.466 55.191 55.803 -0.243 0.000 0.877 2270 Q CB 1.833 30.489 28.738 -0.137 0.000 1.315 2270 Q HN 0.303 nan 8.270 nan 0.000 0.454 2271 K N 0.770 121.143 120.400 -0.045 0.000 2.164 2271 K HA 0.739 5.058 4.320 -0.003 0.000 0.258 2271 K C -0.856 175.762 176.600 0.030 0.000 0.951 2271 K CA -0.588 55.734 56.287 0.057 0.000 0.844 2271 K CB 1.194 33.779 32.500 0.140 0.000 1.099 2271 K HN 0.422 nan 8.250 nan 0.000 0.435 2272 L N 1.625 122.875 121.223 0.046 0.000 2.393 2272 L HA 0.482 4.821 4.340 -0.003 0.000 0.260 2272 L C 0.409 177.320 176.870 0.069 0.000 1.002 2272 L CA -1.186 53.679 54.840 0.043 0.000 0.818 2272 L CB 2.366 44.438 42.059 0.023 0.000 1.369 2272 L HN 1.021 nan 8.230 nan 0.000 0.412 2273 G N 0.578 109.425 108.800 0.078 0.000 2.651 2273 G HA2 0.250 4.209 3.960 -0.003 0.000 0.260 2273 G HA3 0.250 4.209 3.960 -0.003 0.000 0.260 2273 G C 0.899 175.868 174.900 0.116 0.000 1.216 2273 G CA -0.504 44.657 45.100 0.103 0.000 0.913 2273 G HN 0.466 nan 8.290 nan 0.000 0.535 2274 I N -0.819 119.836 120.570 0.142 0.000 2.353 2274 I HA -0.094 4.074 4.170 -0.003 0.000 0.248 2274 I C 2.222 178.455 176.117 0.194 0.000 1.119 2274 I CA 1.175 62.565 61.300 0.149 0.000 1.417 2274 I CB -0.990 37.096 38.000 0.144 0.000 1.078 2274 I HN 0.598 nan 8.210 nan 0.000 0.421 2275 Y N 2.138 122.505 120.300 0.111 0.000 2.242 2275 Y HA -0.230 4.318 4.550 -0.003 0.000 0.291 2275 Y C 2.602 178.569 175.900 0.112 0.000 1.137 2275 Y CA 1.894 60.084 58.100 0.150 0.000 1.181 2275 Y CB -0.169 38.393 38.460 0.169 0.000 0.989 2275 Y HN 0.149 nan 8.280 nan 0.000 0.527 2276 E N 0.213 120.442 120.200 0.049 0.000 2.110 2276 E HA -0.142 4.206 4.350 -0.003 0.000 0.193 2276 E C 2.188 178.742 176.600 -0.077 0.000 0.988 2276 E CA 1.346 57.716 56.400 -0.051 0.000 0.804 2276 E CB -0.435 29.286 29.700 0.035 0.000 0.745 2276 E HN 0.466 nan 8.360 nan 0.000 0.458 2277 A N 0.556 123.364 122.820 -0.020 0.000 1.969 2277 A HA -0.113 4.206 4.320 -0.003 0.000 0.218 2277 A C 2.225 179.790 177.584 -0.031 0.000 1.169 2277 A CA 1.717 53.747 52.037 -0.012 0.000 0.635 2277 A CB -0.695 18.321 19.000 0.027 0.000 0.810 2277 A HN 0.533 nan 8.150 nan 0.000 0.445 2278 M N -1.638 117.934 119.600 -0.047 0.000 2.506 2278 M HA 0.180 4.658 4.480 -0.003 0.000 0.260 2278 M C 1.613 177.839 176.300 -0.123 0.000 1.104 2278 M CA 1.963 57.239 55.300 -0.040 0.000 1.112 2278 M CB -0.118 32.508 32.600 0.043 0.000 1.401 2278 M HN 0.152 nan 8.290 nan 0.000 0.473 2279 K N 1.930 122.186 120.400 -0.240 0.000 2.418 2279 K HA 0.068 4.386 4.320 -0.003 0.000 0.195 2279 K C 1.334 177.855 176.600 -0.132 0.000 1.035 2279 K CA 0.804 56.937 56.287 -0.257 0.000 1.003 2279 K CB -0.071 32.192 32.500 -0.394 0.000 0.793 2279 K HN 0.779 nan 8.250 nan 0.000 0.494 2280 I N -4.114 116.400 120.570 -0.094 0.000 4.147 2280 I HA 0.368 4.536 4.170 -0.003 0.000 0.329 2280 I C 0.106 176.200 176.117 -0.038 0.000 1.424 2280 I CA -0.221 61.045 61.300 -0.058 0.000 1.127 2280 I CB 0.836 38.807 38.000 -0.048 0.000 1.128 2280 I HN 0.028 nan 8.210 nan 0.000 0.417 2281 G N 3.094 111.874 108.800 -0.035 0.000 2.636 2281 G HA2 -0.195 3.764 3.960 -0.003 0.000 0.261 2281 G HA3 -0.195 3.764 3.960 -0.003 0.000 0.261 2281 G C -0.510 174.388 174.900 -0.005 0.000 1.018 2281 G CA 0.302 45.392 45.100 -0.016 0.000 1.308 2281 G HN 0.508 nan 8.290 nan 0.000 0.514 2282 L N 1.379 122.607 121.223 0.007 0.000 4.183 2282 L HA 0.567 4.905 4.340 -0.003 0.000 0.406 2282 L C -0.006 176.890 176.870 0.043 0.000 1.119 2282 L CA 0.864 55.716 54.840 0.020 0.000 1.467 2282 L CB 0.970 43.035 42.059 0.010 0.000 1.684 2282 L HN 1.304 nan 8.230 nan 0.000 0.633 2283 V N 2.324 122.264 119.914 0.043 0.000 2.775 2283 V HA 0.469 4.587 4.120 -0.003 0.000 0.295 2283 V C -0.955 175.169 176.094 0.050 0.000 1.226 2283 V CA -0.644 61.695 62.300 0.065 0.000 0.934 2283 V CB 1.416 33.288 31.823 0.080 0.000 1.056 2283 V HN 0.371 nan 8.190 nan 0.000 0.436 2284 R N 6.338 126.859 120.500 0.034 0.000 2.679 2284 R HA 0.308 4.646 4.340 -0.003 0.000 0.268 2284 R C -2.197 174.130 176.300 0.045 0.000 1.044 2284 R CA -0.868 55.242 56.100 0.016 0.000 1.105 2284 R CB -0.616 29.662 30.300 -0.037 0.000 0.989 2284 R HN 0.483 nan 8.270 nan 0.000 0.447 2285 P HA -0.180 nan 4.420 nan 0.000 0.218 2285 P C 1.215 178.589 177.300 0.123 0.000 1.150 2285 P CA 2.389 65.604 63.100 0.192 0.000 0.841 2285 P CB -0.075 31.740 31.700 0.192 0.000 0.784 2286 G N -0.426 108.392 108.800 0.029 0.000 2.484 2286 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.215 2286 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.215 2286 G C 1.565 176.430 174.900 -0.057 0.000 1.219 2286 G CA 1.985 47.064 45.100 -0.035 0.000 0.791 2286 G HN 0.364 nan 8.290 nan 0.000 0.550 2287 T N -0.621 113.905 114.554 -0.046 0.000 2.962 2287 T HA 0.249 4.597 4.350 -0.003 0.000 0.270 2287 T C 2.456 177.176 174.700 0.033 0.000 1.088 2287 T CA 1.586 63.698 62.100 0.021 0.000 1.127 2287 T CB -0.220 68.722 68.868 0.123 0.000 0.883 2287 T HN 0.379 nan 8.240 nan 0.000 0.493 2288 A N 1.758 124.583 122.820 0.009 0.000 1.877 2288 A HA 0.118 4.436 4.320 -0.003 0.000 0.216 2288 A C 2.419 179.901 177.584 -0.169 0.000 1.186 2288 A CA 1.329 53.358 52.037 -0.014 0.000 0.620 2288 A CB -1.034 17.999 19.000 0.055 0.000 0.822 2288 A HN 0.523 nan 8.150 nan 0.000 0.443 2289 L N -0.529 120.502 121.223 -0.320 0.000 2.042 2289 L HA -0.264 4.074 4.340 -0.003 0.000 0.210 2289 L C 2.710 179.470 176.870 -0.183 0.000 1.076 2289 L CA 2.009 56.602 54.840 -0.411 0.000 0.749 2289 L CB -0.522 41.341 42.059 -0.327 0.000 0.893 2289 L HN 0.561 nan 8.230 nan 0.000 0.432 2290 E N -0.385 119.748 120.200 -0.111 0.000 2.023 2290 E HA -0.267 4.081 4.350 -0.003 0.000 0.196 2290 E C 2.071 178.754 176.600 0.137 0.000 1.003 2290 E CA 1.187 57.544 56.400 -0.072 0.000 0.809 2290 E CB -0.148 29.471 29.700 -0.133 0.000 0.755 2290 E HN 0.295 nan 8.360 nan 0.000 0.449 2291 L N 0.529 121.874 121.223 0.203 0.000 2.131 2291 L HA -0.135 4.204 4.340 -0.003 0.000 0.210 2291 L C 2.330 179.300 176.870 0.166 0.000 1.092 2291 L CA 1.409 56.415 54.840 0.276 0.000 0.759 2291 L CB -1.121 41.073 42.059 0.226 0.000 0.903 2291 L HN 0.205 nan 8.230 nan 0.000 0.435 2292 L N -0.924 120.333 121.223 0.057 0.000 2.395 2292 L HA -0.103 4.235 4.340 -0.003 0.000 0.218 2292 L C 2.349 179.226 176.870 0.013 0.000 1.130 2292 L CA 0.489 55.341 54.840 0.020 0.000 0.826 2292 L CB -0.107 41.912 42.059 -0.066 0.000 0.941 2292 L HN 0.345 nan 8.230 nan 0.000 0.451 2293 E N 0.178 120.389 120.200 0.019 0.000 2.060 2293 E HA -0.081 4.267 4.350 -0.003 0.000 0.189 2293 E C 2.318 178.943 176.600 0.042 0.000 0.974 2293 E CA 0.889 57.306 56.400 0.029 0.000 0.808 2293 E CB -0.059 29.668 29.700 0.045 0.000 0.768 2293 E HN 0.422 nan 8.360 nan 0.000 0.453 2294 A N 1.192 124.067 122.820 0.092 0.000 2.019 2294 A HA -0.244 4.074 4.320 -0.003 0.000 0.219 2294 A C 2.032 179.589 177.584 -0.045 0.000 1.164 2294 A CA 1.327 53.358 52.037 -0.011 0.000 0.644 2294 A CB -0.349 18.639 19.000 -0.020 0.000 0.805 2294 A HN 0.161 nan 8.150 nan 0.000 0.449 2295 Q N -0.851 118.978 119.800 0.047 0.000 2.049 2295 Q HA -0.043 4.295 4.340 -0.003 0.000 0.198 2295 Q C 2.400 178.410 176.000 0.016 0.000 0.971 2295 Q CA 1.283 57.123 55.803 0.063 0.000 0.833 2295 Q CB -0.306 28.491 28.738 0.099 0.000 0.896 2295 Q HN 0.660 nan 8.270 nan 0.000 0.434 2296 A N 0.740 123.559 122.820 -0.001 0.000 1.877 2296 A HA -0.127 4.191 4.320 -0.003 0.000 0.216 2296 A C 2.128 179.659 177.584 -0.089 0.000 1.186 2296 A CA 1.635 53.647 52.037 -0.041 0.000 0.620 2296 A CB -0.889 18.092 19.000 -0.031 0.000 0.822 2296 A HN 0.452 nan 8.150 nan 0.000 0.443 2297 A N -0.606 122.168 122.820 -0.077 0.000 2.248 2297 A HA 0.130 4.449 4.320 -0.003 0.000 0.210 2297 A C 1.759 179.265 177.584 -0.129 0.000 1.174 2297 A CA 1.808 53.785 52.037 -0.098 0.000 0.750 2297 A CB -0.853 18.100 19.000 -0.080 0.000 0.780 2297 A HN 0.693 nan 8.150 nan 0.000 0.478 2298 T N -6.208 108.270 114.554 -0.127 0.000 3.003 2298 T HA 0.499 4.848 4.350 -0.003 0.000 0.261 2298 T C 1.250 175.840 174.700 -0.183 0.000 1.003 2298 T CA 0.956 62.983 62.100 -0.122 0.000 0.917 2298 T CB 0.811 69.639 68.868 -0.067 0.000 1.084 2298 T HN 1.272 nan 8.240 nan 0.000 0.522 2299 G N 1.573 110.198 108.800 -0.292 0.000 3.435 2299 G HA2 0.038 3.996 3.960 -0.003 0.000 0.197 2299 G HA3 0.038 3.996 3.960 -0.003 0.000 0.197 2299 G C -0.527 173.875 174.900 -0.830 0.000 1.497 2299 G CA -0.427 44.241 45.100 -0.720 0.000 1.043 2299 G HN 0.457 nan 8.290 nan 0.000 0.466 2300 F N 1.784 121.734 119.950 0.001 0.000 2.588 2300 F HA 0.822 5.347 4.527 -0.003 0.000 0.314 2300 F C 0.050 175.862 175.800 0.021 0.000 1.069 2300 F CA -1.691 56.316 58.000 0.011 0.000 0.931 2300 F CB 1.057 40.067 39.000 0.016 0.000 1.260 2300 F HN -0.014 nan 8.300 nan 0.000 0.465 2301 I N 2.513 123.216 120.570 0.221 0.000 2.581 2301 I HA 0.392 4.560 4.170 -0.003 0.000 0.288 2301 I C 0.010 176.213 176.117 0.143 0.000 1.047 2301 I CA -0.612 60.776 61.300 0.147 0.000 1.374 2301 I CB 1.154 39.220 38.000 0.111 0.000 1.423 2301 I HN 0.299 nan 8.210 nan 0.000 0.549 2302 V N 4.012 123.997 119.914 0.117 0.000 2.680 2302 V HA 0.322 4.440 4.120 -0.003 0.000 0.309 2302 V C -0.561 175.582 176.094 0.080 0.000 1.052 2302 V CA -0.675 61.679 62.300 0.090 0.000 0.908 2302 V CB 2.268 34.142 31.823 0.085 0.000 1.001 2302 V HN 0.725 nan 8.190 nan 0.000 0.431 2303 D N 5.330 125.766 120.400 0.061 0.000 2.462 2303 D HA 0.393 5.031 4.640 -0.003 0.000 0.249 2303 D C -1.212 175.116 176.300 0.045 0.000 1.117 2303 D CA -2.012 52.023 54.000 0.058 0.000 0.900 2303 D CB 2.046 42.877 40.800 0.050 0.000 1.039 2303 D HN 0.224 nan 8.370 nan 0.000 0.516 2304 P HA -0.197 nan 4.420 nan 0.000 0.216 2304 P C 1.420 178.744 177.300 0.041 0.000 1.150 2304 P CA 0.682 63.810 63.100 0.047 0.000 0.837 2304 P CB 0.446 32.183 31.700 0.061 0.000 0.786 2305 V N 0.481 120.421 119.914 0.042 0.000 2.261 2305 V HA -0.181 3.937 4.120 -0.003 0.000 0.246 2305 V C 2.933 179.043 176.094 0.026 0.000 1.047 2305 V CA 2.629 64.950 62.300 0.034 0.000 1.015 2305 V CB -1.653 30.190 31.823 0.032 0.000 0.642 2305 V HN 0.257 nan 8.190 nan 0.000 0.446 2306 S N -1.354 114.361 115.700 0.024 0.000 2.486 2306 S HA 0.024 4.492 4.470 -0.003 0.000 0.220 2306 S C 1.031 175.637 174.600 0.010 0.000 1.011 2306 S CA 0.632 58.842 58.200 0.016 0.000 0.921 2306 S CB -0.571 62.639 63.200 0.016 0.000 0.785 2306 S HN 0.771 nan 8.310 nan 0.000 0.517 2307 N N 0.015 118.722 118.700 0.012 0.000 2.862 2307 N HA -0.120 4.618 4.740 -0.003 0.000 0.246 2307 N C -1.069 174.432 175.510 -0.014 0.000 1.111 2307 N CA 0.079 53.130 53.050 0.001 0.000 0.688 2307 N CB -1.383 37.102 38.487 -0.004 0.000 1.018 2307 N HN 0.344 nan 8.380 nan 0.000 0.556 2308 L N 0.965 122.185 121.223 -0.005 0.000 2.334 2308 L HA 0.583 4.921 4.340 -0.003 0.000 0.275 2308 L C 0.412 177.268 176.870 -0.024 0.000 1.036 2308 L CA -0.624 54.206 54.840 -0.017 0.000 0.807 2308 L CB 1.623 43.685 42.059 0.004 0.000 1.231 2308 L HN 0.109 nan 8.230 nan 0.000 0.438 2309 R N 3.779 124.235 120.500 -0.075 0.000 2.476 2309 R HA 0.823 5.162 4.340 -0.003 0.000 0.305 2309 R C -1.468 174.819 176.300 -0.021 0.000 0.965 2309 R CA -0.616 55.418 56.100 -0.111 0.000 0.867 2309 R CB 1.925 31.970 30.300 -0.426 0.000 1.176 2309 R HN 0.465 nan 8.270 nan 0.000 0.447 2310 L N 2.725 124.052 121.223 0.173 0.000 2.582 2310 L HA 0.504 4.843 4.340 -0.003 0.000 0.257 2310 L C -2.621 174.395 176.870 0.243 0.000 0.974 2310 L CA -2.513 52.456 54.840 0.215 0.000 0.851 2310 L CB 2.966 45.092 42.059 0.111 0.000 1.424 2310 L HN 0.312 nan 8.230 nan 0.000 0.412 2311 P HA 0.068 nan 4.420 nan 0.000 0.270 2311 P C 0.872 178.216 177.300 0.073 0.000 1.223 2311 P CA -0.340 62.817 63.100 0.094 0.000 0.785 2311 P CB 0.787 32.526 31.700 0.065 0.000 0.923 2312 V N 1.250 121.185 119.914 0.036 0.000 2.250 2312 V HA -0.278 3.840 4.120 -0.003 0.000 0.250 2312 V C 2.272 178.406 176.094 0.067 0.000 1.060 2312 V CA 1.934 64.258 62.300 0.041 0.000 1.030 2312 V CB -0.966 30.857 31.823 -0.000 0.000 0.643 2312 V HN 0.631 nan 8.190 nan 0.000 0.445 2313 E N -0.361 119.867 120.200 0.047 0.000 2.097 2313 E HA -0.252 4.096 4.350 -0.003 0.000 0.196 2313 E C 2.242 178.912 176.600 0.117 0.000 1.000 2313 E CA 1.684 58.125 56.400 0.069 0.000 0.804 2313 E CB -0.195 29.526 29.700 0.036 0.000 0.740 2313 E HN 0.674 nan 8.360 nan 0.000 0.454 2314 E N 0.374 120.629 120.200 0.091 0.000 2.072 2314 E HA -0.010 4.338 4.350 -0.003 0.000 0.190 2314 E C 1.844 178.494 176.600 0.082 0.000 0.982 2314 E CA 1.260 57.709 56.400 0.081 0.000 0.803 2314 E CB -0.329 29.414 29.700 0.073 0.000 0.755 2314 E HN 0.162 nan 8.360 nan 0.000 0.453 2315 A N -0.125 122.752 122.820 0.094 0.000 1.908 2315 A HA -0.215 4.103 4.320 -0.003 0.000 0.218 2315 A C 2.245 179.876 177.584 0.078 0.000 1.181 2315 A CA 1.711 53.798 52.037 0.083 0.000 0.627 2315 A CB -1.103 17.952 19.000 0.091 0.000 0.818 2315 A HN 0.531 nan 8.150 nan 0.000 0.445 2316 Y N 0.390 120.683 120.300 -0.012 0.000 2.352 2316 Y HA -0.117 4.431 4.550 -0.003 0.000 0.292 2316 Y C 2.065 177.953 175.900 -0.019 0.000 1.136 2316 Y CA 1.857 59.938 58.100 -0.032 0.000 1.227 2316 Y CB 0.080 38.523 38.460 -0.029 0.000 0.991 2316 Y HN 0.123 nan 8.280 nan 0.000 0.545 2317 K N 0.184 120.556 120.400 -0.046 0.000 2.116 2317 K HA -0.066 4.252 4.320 -0.003 0.000 0.203 2317 K C 2.082 178.612 176.600 -0.116 0.000 1.052 2317 K CA 1.046 57.272 56.287 -0.102 0.000 0.952 2317 K CB -0.305 32.204 32.500 0.014 0.000 0.729 2317 K HN 0.244 nan 8.250 nan 0.000 0.446 2318 R N 0.032 120.496 120.500 -0.059 0.000 2.323 2318 R HA -0.021 4.317 4.340 -0.003 0.000 0.198 2318 R C 0.436 176.710 176.300 -0.044 0.000 0.988 2318 R CA 0.723 56.802 56.100 -0.035 0.000 1.041 2318 R CB -0.021 30.281 30.300 0.002 0.000 0.926 2318 R HN 0.390 nan 8.270 nan 0.000 0.476 2319 G N 0.363 109.104 108.800 -0.098 0.000 2.198 2319 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.257 2319 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.257 2319 G C 0.335 175.248 174.900 0.022 0.000 1.042 2319 G CA 0.287 45.347 45.100 -0.068 0.000 0.791 2319 G HN 0.341 nan 8.290 nan 0.000 0.502 2320 L N -1.282 119.946 121.223 0.008 0.000 2.554 2320 L HA 0.499 4.837 4.340 -0.003 0.000 0.225 2320 L C 0.993 177.868 176.870 0.008 0.000 1.104 2320 L CA 0.305 55.188 54.840 0.072 0.000 0.866 2320 L CB 0.764 42.866 42.059 0.071 0.000 1.047 2320 L HN 0.271 nan 8.230 nan 0.000 0.468 2321 V N -0.433 119.362 119.914 -0.200 0.000 2.932 2321 V HA 0.702 4.820 4.120 -0.003 0.000 0.307 2321 V C -0.007 175.686 176.094 -0.669 0.000 1.147 2321 V CA -0.648 61.380 62.300 -0.454 0.000 0.951 2321 V CB 1.933 33.720 31.823 -0.061 0.000 1.031 2321 V HN 0.078 nan 8.190 nan 0.000 0.426 2322 G N 3.774 111.893 108.800 -1.135 0.000 2.636 2322 G HA2 0.367 4.325 3.960 -0.003 0.000 0.246 2322 G HA3 0.367 4.325 3.960 -0.003 0.000 0.246 2322 G C 0.573 175.443 174.900 -0.050 0.000 1.216 2322 G CA -0.092 44.683 45.100 -0.542 0.000 0.854 2322 G HN 0.772 nan 8.290 nan 0.000 0.572 2323 I N 0.206 120.816 120.570 0.068 0.000 2.394 2323 I HA -0.040 4.128 4.170 -0.003 0.000 0.251 2323 I C 2.422 178.530 176.117 -0.015 0.000 1.136 2323 I CA 1.067 62.467 61.300 0.167 0.000 1.425 2323 I CB -0.453 37.640 38.000 0.155 0.000 1.079 2323 I HN 0.576 nan 8.210 nan 0.000 0.425 2324 E N 0.245 120.372 120.200 -0.122 0.000 2.208 2324 E HA -0.123 4.226 4.350 -0.003 0.000 0.193 2324 E C 1.696 178.258 176.600 -0.063 0.000 0.988 2324 E CA 1.192 57.489 56.400 -0.171 0.000 0.828 2324 E CB -0.543 28.955 29.700 -0.338 0.000 0.763 2324 E HN 0.368 nan 8.360 nan 0.000 0.478 2325 F N 1.157 121.113 119.950 0.010 0.000 2.387 2325 F HA 0.224 4.749 4.527 -0.003 0.000 0.294 2325 F C 2.022 177.801 175.800 -0.036 0.000 1.093 2325 F CA 0.057 58.056 58.000 -0.003 0.000 1.420 2325 F CB -0.507 38.495 39.000 0.003 0.000 1.086 2325 F HN -0.058 nan 8.300 nan 0.000 0.531 2326 K N 0.968 121.429 120.400 0.102 0.000 2.127 2326 K HA -0.338 3.980 4.320 -0.003 0.000 0.212 2326 K C 1.975 178.540 176.600 -0.057 0.000 1.050 2326 K CA 2.304 58.563 56.287 -0.046 0.000 0.929 2326 K CB -0.189 32.135 32.500 -0.293 0.000 0.715 2326 K HN 0.241 nan 8.250 nan 0.000 0.457 2327 E N 0.388 120.568 120.200 -0.034 0.000 2.107 2327 E HA -0.112 4.236 4.350 -0.003 0.000 0.191 2327 E C 1.576 178.179 176.600 0.005 0.000 0.982 2327 E CA 1.448 57.830 56.400 -0.029 0.000 0.809 2327 E CB 0.216 29.905 29.700 -0.019 0.000 0.756 2327 E HN 0.335 nan 8.360 nan 0.000 0.459 2328 K N -0.223 120.203 120.400 0.044 0.000 2.137 2328 K HA 0.065 4.383 4.320 -0.003 0.000 0.202 2328 K C 1.950 178.572 176.600 0.038 0.000 1.052 2328 K CA 0.775 57.097 56.287 0.057 0.000 0.961 2328 K CB 0.035 32.584 32.500 0.081 0.000 0.741 2328 K HN 0.171 nan 8.250 nan 0.000 0.452 2329 L N 0.791 122.031 121.223 0.028 0.000 2.465 2329 L HA -0.081 4.257 4.340 -0.003 0.000 0.224 2329 L C 1.693 178.549 176.870 -0.023 0.000 1.145 2329 L CA 0.203 55.047 54.840 0.006 0.000 0.834 2329 L CB -0.158 41.912 42.059 0.018 0.000 0.944 2329 L HN 0.115 nan 8.230 nan 0.000 0.451 2330 L N -1.330 119.874 121.223 -0.033 0.000 2.509 2330 L HA 0.045 4.383 4.340 -0.003 0.000 0.222 2330 L C 2.221 179.040 176.870 -0.085 0.000 1.123 2330 L CA 1.201 56.003 54.840 -0.063 0.000 0.856 2330 L CB -0.054 41.964 42.059 -0.069 0.000 0.985 2330 L HN 0.047 nan 8.230 nan 0.000 0.456 2331 S N -1.166 114.499 115.700 -0.059 0.000 2.468 2331 S HA 0.161 4.629 4.470 -0.003 0.000 0.226 2331 S C 1.960 176.504 174.600 -0.093 0.000 1.051 2331 S CA 0.560 58.716 58.200 -0.075 0.000 0.943 2331 S CB 0.108 63.311 63.200 0.006 0.000 0.810 2331 S HN 0.397 nan 8.310 nan 0.000 0.509 2332 A N 1.463 124.256 122.820 -0.046 0.000 2.119 2332 A HA 0.017 4.335 4.320 -0.003 0.000 0.217 2332 A C 1.777 179.312 177.584 -0.082 0.000 1.153 2332 A CA 1.008 53.020 52.037 -0.041 0.000 0.692 2332 A CB -0.362 18.638 19.000 -0.001 0.000 0.799 2332 A HN 0.544 nan 8.150 nan 0.000 0.458 2333 E N -0.213 119.915 120.200 -0.120 0.000 2.478 2333 E HA -0.001 4.347 4.350 -0.003 0.000 0.194 2333 E C 1.602 178.074 176.600 -0.214 0.000 1.045 2333 E CA -0.057 56.254 56.400 -0.149 0.000 0.868 2333 E CB -0.029 29.593 29.700 -0.130 0.000 0.885 2333 E HN 0.566 nan 8.360 nan 0.000 0.505 2334 R N -0.397 119.907 120.500 -0.327 0.000 2.299 2334 R HA 0.109 4.448 4.340 -0.003 0.000 0.197 2334 R C 1.590 177.622 176.300 -0.446 0.000 0.971 2334 R CA 0.613 56.353 56.100 -0.601 0.000 1.030 2334 R CB 0.278 29.881 30.300 -1.161 0.000 0.932 2334 R HN 0.035 nan 8.270 nan 0.000 0.477 2335 A N 0.269 123.029 122.820 -0.100 0.000 2.278 2335 A HA 0.107 4.426 4.320 -0.003 0.000 0.212 2335 A C 1.556 179.115 177.584 -0.042 0.000 1.213 2335 A CA 0.303 52.414 52.037 0.123 0.000 0.840 2335 A CB 0.322 19.377 19.000 0.092 0.000 0.866 2335 A HN 0.066 nan 8.150 nan 0.000 0.489 2336 V N -1.226 118.617 119.914 -0.118 0.000 2.948 2336 V HA -0.034 4.084 4.120 -0.003 0.000 0.234 2336 V C 2.424 178.432 176.094 -0.143 0.000 1.205 2336 V CA 1.830 64.040 62.300 -0.150 0.000 1.234 2336 V CB 0.033 31.740 31.823 -0.193 0.000 1.020 2336 V HN 0.644 nan 8.190 nan 0.000 0.491 2337 T N -2.060 112.402 114.554 -0.154 0.000 3.060 2337 T HA 0.510 4.858 4.350 -0.003 0.000 0.249 2337 T C 0.880 175.509 174.700 -0.118 0.000 1.079 2337 T CA 0.552 62.575 62.100 -0.129 0.000 1.013 2337 T CB 0.513 69.304 68.868 -0.129 0.000 0.975 2337 T HN 1.226 nan 8.240 nan 0.000 0.518 2338 G N 0.292 109.013 108.800 -0.132 0.000 2.650 2338 G HA2 0.089 4.047 3.960 -0.003 0.000 0.686 2338 G HA3 0.089 4.047 3.960 -0.003 0.000 0.686 2338 G C -1.071 173.740 174.900 -0.148 0.000 1.205 2338 G CA -0.995 44.075 45.100 -0.051 0.000 0.781 2338 G HN 0.289 nan 8.290 nan 0.000 0.648 2339 Y N 0.441 120.713 120.300 -0.048 0.000 2.593 2339 Y HA 0.698 5.246 4.550 -0.003 0.000 0.330 2339 Y C 1.057 176.942 175.900 -0.025 0.000 1.223 2339 Y CA -0.906 57.173 58.100 -0.036 0.000 1.350 2339 Y CB 1.181 39.621 38.460 -0.034 0.000 1.499 2339 Y HN 0.682 nan 8.280 nan 0.000 0.554 2340 N N 0.811 119.598 118.700 0.145 0.000 2.346 2340 N HA 0.077 4.816 4.740 -0.003 0.000 0.289 2340 N C -2.004 173.548 175.510 0.071 0.000 1.027 2340 N CA -0.500 52.595 53.050 0.075 0.000 0.864 2340 N CB 1.151 39.659 38.487 0.035 0.000 1.370 2340 N HN 0.621 nan 8.380 nan 0.000 0.481 2341 D N 4.670 125.099 120.400 0.050 0.000 2.346 2341 D HA 0.173 4.811 4.640 -0.003 0.000 0.260 2341 D C -1.530 174.783 176.300 0.021 0.000 1.252 2341 D CA -1.779 52.239 54.000 0.030 0.000 0.895 2341 D CB 1.392 42.206 40.800 0.024 0.000 1.097 2341 D HN 0.368 nan 8.370 nan 0.000 0.489 2342 P HA -0.210 nan 4.420 nan 0.000 0.212 2342 P C 0.106 177.411 177.300 0.009 0.000 1.128 2342 P CA 1.195 64.303 63.100 0.012 0.000 0.961 2342 P CB 0.123 31.828 31.700 0.008 0.000 0.782 2343 E N -1.016 119.187 120.200 0.006 0.000 2.290 2343 E HA 0.064 4.412 4.350 -0.003 0.000 0.277 2343 E C 0.656 177.260 176.600 0.007 0.000 1.035 2343 E CA 0.477 56.879 56.400 0.005 0.000 0.873 2343 E CB 0.075 29.775 29.700 0.001 0.000 1.029 2343 E HN 0.105 nan 8.360 nan 0.000 0.419 2344 T N 2.743 117.302 114.554 0.008 0.000 6.445 2344 T HA -0.214 4.135 4.350 -0.003 0.000 0.280 2344 T C 0.788 175.496 174.700 0.013 0.000 2.174 2344 T CA 1.961 64.067 62.100 0.010 0.000 3.648 2344 T CB -1.538 67.336 68.868 0.010 0.000 1.091 2344 T HN 1.006 nan 8.240 nan 0.000 1.002 2345 G N 1.984 110.792 108.800 0.014 0.000 2.421 2345 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.300 2345 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.300 2345 G C -0.228 174.684 174.900 0.020 0.000 0.974 2345 G CA 0.823 45.932 45.100 0.016 0.000 1.062 2345 G HN 0.809 nan 8.290 nan 0.000 0.514 2346 N N -0.614 118.101 118.700 0.025 0.000 2.405 2346 N HA 0.377 5.115 4.740 -0.003 0.000 0.299 2346 N C 0.889 176.423 175.510 0.041 0.000 1.075 2346 N CA -0.739 52.329 53.050 0.030 0.000 0.884 2346 N CB 0.979 39.485 38.487 0.031 0.000 1.194 2346 N HN 0.182 nan 8.380 nan 0.000 0.491 2347 I N 4.021 124.616 120.570 0.040 0.000 2.792 2347 I HA -0.077 4.091 4.170 -0.003 0.000 0.284 2347 I C 0.916 177.075 176.117 0.070 0.000 1.166 2347 I CA 0.482 61.810 61.300 0.047 0.000 1.375 2347 I CB -0.390 37.627 38.000 0.028 0.000 1.421 2347 I HN 0.327 nan 8.210 nan 0.000 0.544 2348 I N 2.951 123.576 120.570 0.091 0.000 2.863 2348 I HA 0.545 4.714 4.170 -0.003 0.000 0.311 2348 I C 0.296 176.473 176.117 0.101 0.000 1.026 2348 I CA -0.607 60.752 61.300 0.098 0.000 1.077 2348 I CB 1.903 39.942 38.000 0.065 0.000 1.262 2348 I HN 0.398 nan 8.210 nan 0.000 0.461 2349 S N 2.241 117.992 115.700 0.086 0.000 2.603 2349 S HA 0.155 4.623 4.470 -0.003 0.000 0.268 2349 S C 0.833 175.444 174.600 0.019 0.000 1.317 2349 S CA -0.475 57.739 58.200 0.023 0.000 1.012 2349 S CB 0.993 64.240 63.200 0.080 0.000 0.926 2349 S HN 0.729 nan 8.310 nan 0.000 0.539 2350 L N 4.865 126.092 121.223 0.007 0.000 2.042 2350 L HA -0.014 4.325 4.340 -0.003 0.000 0.210 2350 L C 1.844 178.691 176.870 -0.038 0.000 1.076 2350 L CA 2.118 56.863 54.840 -0.158 0.000 0.749 2350 L CB -1.174 40.871 42.059 -0.023 0.000 0.893 2350 L HN 0.894 nan 8.230 nan 0.000 0.432 2351 F N 0.286 120.214 119.950 -0.036 0.000 2.069 2351 F HA -0.320 4.205 4.527 -0.003 0.000 0.298 2351 F C 2.416 178.225 175.800 0.014 0.000 1.113 2351 F CA 1.822 59.850 58.000 0.046 0.000 1.214 2351 F CB -0.085 39.022 39.000 0.178 0.000 0.978 2351 F HN 0.256 nan 8.300 nan 0.000 0.474 2352 Q N 0.291 120.033 119.800 -0.097 0.000 2.291 2352 Q HA -0.158 4.181 4.340 -0.003 0.000 0.206 2352 Q C 2.212 178.101 176.000 -0.185 0.000 0.976 2352 Q CA 1.048 56.714 55.803 -0.228 0.000 0.875 2352 Q CB -0.375 28.323 28.738 -0.067 0.000 0.927 2352 Q HN 0.561 nan 8.270 nan 0.000 0.450 2353 A N 0.417 123.119 122.820 -0.197 0.000 2.067 2353 A HA -0.029 4.289 4.320 -0.003 0.000 0.217 2353 A C 1.932 179.397 177.584 -0.198 0.000 1.156 2353 A CA 0.680 52.558 52.037 -0.265 0.000 0.683 2353 A CB -0.178 18.451 19.000 -0.618 0.000 0.808 2353 A HN 0.249 nan 8.150 nan 0.000 0.455 2354 M N -0.414 119.103 119.600 -0.138 0.000 2.287 2354 M HA -0.026 4.452 4.480 -0.003 0.000 0.266 2354 M C 1.219 177.476 176.300 -0.072 0.000 1.079 2354 M CA 0.759 56.025 55.300 -0.056 0.000 1.146 2354 M CB -0.209 32.435 32.600 0.074 0.000 1.374 2354 M HN 0.266 nan 8.290 nan 0.000 0.435 2355 N N 0.662 119.268 118.700 -0.157 0.000 2.550 2355 N HA -0.057 4.682 4.740 -0.003 0.000 0.186 2355 N C 0.706 176.144 175.510 -0.119 0.000 1.110 2355 N CA 0.918 53.865 53.050 -0.172 0.000 0.912 2355 N CB 0.001 38.296 38.487 -0.320 0.000 0.968 2355 N HN 0.394 nan 8.380 nan 0.000 0.448 2356 K N 0.472 120.809 120.400 -0.105 0.000 2.438 2356 K HA 0.136 4.454 4.320 -0.003 0.000 0.205 2356 K C -0.598 175.970 176.600 -0.053 0.000 1.033 2356 K CA -0.089 56.154 56.287 -0.073 0.000 1.089 2356 K CB 0.780 33.239 32.500 -0.070 0.000 0.857 2356 K HN 0.050 nan 8.250 nan 0.000 0.522 2357 E N 0.675 120.843 120.200 -0.052 0.000 2.271 2357 E HA -0.199 4.149 4.350 -0.003 0.000 0.223 2357 E C -0.035 176.547 176.600 -0.030 0.000 1.223 2357 E CA -0.053 56.327 56.400 -0.033 0.000 0.704 2357 E CB -1.107 28.581 29.700 -0.020 0.000 1.194 2357 E HN 0.148 nan 8.360 nan 0.000 0.375 2358 L N -0.033 121.160 121.223 -0.050 0.000 2.640 2358 L HA 0.342 4.681 4.340 -0.003 0.000 0.230 2358 L C 0.572 177.426 176.870 -0.027 0.000 1.123 2358 L CA 0.656 55.475 54.840 -0.035 0.000 0.900 2358 L CB 0.497 42.528 42.059 -0.046 0.000 1.146 2358 L HN 0.329 nan 8.230 nan 0.000 0.484 2359 I N -3.831 116.716 120.570 -0.037 0.000 2.882 2359 I HA 0.277 4.446 4.170 -0.003 0.000 0.298 2359 I C -0.818 175.308 176.117 0.014 0.000 1.462 2359 I CA -1.127 60.169 61.300 -0.007 0.000 1.000 2359 I CB 1.709 39.675 38.000 -0.057 0.000 1.340 2359 I HN -0.010 nan 8.210 nan 0.000 0.462 2360 E N 3.970 124.208 120.200 0.063 0.000 2.415 2360 E HA 0.146 4.494 4.350 -0.003 0.000 0.263 2360 E C -0.161 176.482 176.600 0.072 0.000 0.995 2360 E CA -0.627 55.814 56.400 0.068 0.000 0.915 2360 E CB 1.067 30.817 29.700 0.083 0.000 0.951 2360 E HN 0.538 nan 8.360 nan 0.000 0.449 2361 K N 2.645 123.080 120.400 0.058 0.000 2.442 2361 K HA -0.113 4.205 4.320 -0.003 0.000 0.198 2361 K C 1.689 178.338 176.600 0.081 0.000 1.044 2361 K CA 1.106 57.434 56.287 0.067 0.000 0.948 2361 K CB -0.125 32.412 32.500 0.062 0.000 0.762 2361 K HN 0.797 nan 8.250 nan 0.000 0.472 2362 G N -0.217 108.634 108.800 0.085 0.000 2.426 2362 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.214 2362 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.214 2362 G C 1.289 176.265 174.900 0.127 0.000 1.156 2362 G CA 0.332 45.483 45.100 0.085 0.000 0.802 2362 G HN 0.409 nan 8.290 nan 0.000 0.534 2363 H N 0.183 119.259 119.070 0.009 0.000 2.363 2363 H HA 0.002 4.556 4.556 -0.003 0.000 0.301 2363 H C 2.754 178.094 175.328 0.020 0.000 1.074 2363 H CA 0.785 56.834 56.048 0.001 0.000 1.354 2363 H CB 0.001 29.763 29.762 0.001 0.000 1.397 2363 H HN 0.330 nan 8.280 nan 0.000 0.516 2364 G N 0.807 109.643 108.800 0.059 0.000 2.408 2364 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.217 2364 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.217 2364 G C 1.726 176.656 174.900 0.051 0.000 1.150 2364 G CA 0.652 45.745 45.100 -0.013 0.000 0.776 2364 G HN 0.361 nan 8.290 nan 0.000 0.542 2365 I N -0.101 120.524 120.570 0.092 0.000 2.226 2365 I HA -0.129 4.039 4.170 -0.003 0.000 0.245 2365 I C 2.964 179.160 176.117 0.132 0.000 1.100 2365 I CA 0.869 62.237 61.300 0.114 0.000 1.374 2365 I CB -0.108 37.961 38.000 0.115 0.000 1.057 2365 I HN 0.067 nan 8.210 nan 0.000 0.413 2366 R N 0.346 120.938 120.500 0.153 0.000 2.193 2366 R HA -0.072 4.266 4.340 -0.003 0.000 0.229 2366 R C 2.070 178.506 176.300 0.227 0.000 1.110 2366 R CA 1.046 57.287 56.100 0.235 0.000 0.988 2366 R CB -0.044 30.339 30.300 0.138 0.000 0.871 2366 R HN 0.362 nan 8.270 nan 0.000 0.458 2367 L N -0.614 120.671 121.223 0.103 0.000 2.249 2367 L HA 0.003 4.342 4.340 -0.003 0.000 0.207 2367 L C 1.804 178.647 176.870 -0.046 0.000 1.090 2367 L CA 0.504 55.355 54.840 0.019 0.000 0.802 2367 L CB -0.172 41.875 42.059 -0.020 0.000 0.947 2367 L HN 0.180 nan 8.230 nan 0.000 0.453 2368 L N 0.274 121.483 121.223 -0.024 0.000 2.093 2368 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 2368 L C 2.625 179.430 176.870 -0.108 0.000 1.085 2368 L CA 1.361 56.147 54.840 -0.089 0.000 0.755 2368 L CB -0.474 41.566 42.059 -0.032 0.000 0.904 2368 L HN 0.401 nan 8.230 nan 0.000 0.435 2369 E N 0.634 120.819 120.200 -0.025 0.000 2.208 2369 E HA -0.135 4.213 4.350 -0.003 0.000 0.193 2369 E C 2.172 178.697 176.600 -0.125 0.000 0.988 2369 E CA 0.931 57.317 56.400 -0.024 0.000 0.828 2369 E CB -0.187 29.554 29.700 0.068 0.000 0.763 2369 E HN 0.377 nan 8.360 nan 0.000 0.478 2370 A N 1.437 124.093 122.820 -0.272 0.000 1.930 2370 A HA -0.203 4.115 4.320 -0.003 0.000 0.217 2370 A C 2.179 179.540 177.584 -0.371 0.000 1.175 2370 A CA 1.524 53.151 52.037 -0.684 0.000 0.627 2370 A CB -0.386 18.177 19.000 -0.728 0.000 0.815 2370 A HN 0.271 nan 8.150 nan 0.000 0.443 2371 Q N -0.803 118.851 119.800 -0.243 0.000 2.062 2371 Q HA -0.023 4.316 4.340 -0.003 0.000 0.196 2371 Q C 1.975 177.869 176.000 -0.178 0.000 0.967 2371 Q CA 0.938 56.623 55.803 -0.196 0.000 0.832 2371 Q CB -0.172 28.445 28.738 -0.201 0.000 0.899 2371 Q HN 0.548 nan 8.270 nan 0.000 0.442 2372 I N 0.801 121.259 120.570 -0.187 0.000 2.264 2372 I HA -0.204 3.965 4.170 -0.003 0.000 0.248 2372 I C 1.989 178.048 176.117 -0.097 0.000 1.111 2372 I CA 1.115 62.316 61.300 -0.165 0.000 1.382 2372 I CB -1.047 36.865 38.000 -0.147 0.000 1.060 2372 I HN 0.099 nan 8.210 nan 0.000 0.418 2373 A N 0.068 122.857 122.820 -0.051 0.000 2.235 2373 A HA 0.015 4.333 4.320 -0.003 0.000 0.208 2373 A C 1.440 179.025 177.584 0.002 0.000 1.172 2373 A CA 1.190 53.231 52.037 0.005 0.000 0.786 2373 A CB -0.790 18.278 19.000 0.113 0.000 0.804 2373 A HN 0.511 nan 8.150 nan 0.000 0.479 2374 T N -6.316 108.210 114.554 -0.046 0.000 3.460 2374 T HA 0.510 4.858 4.350 -0.003 0.000 0.304 2374 T C 0.853 175.481 174.700 -0.120 0.000 0.991 2374 T CA 0.743 62.812 62.100 -0.051 0.000 0.975 2374 T CB 0.201 69.063 68.868 -0.010 0.000 1.196 2374 T HN 1.325 nan 8.240 nan 0.000 0.490 2375 G N -0.345 108.348 108.800 -0.178 0.000 2.624 2375 G HA2 0.402 4.361 3.960 -0.003 0.000 0.190 2375 G HA3 0.402 4.361 3.960 -0.003 0.000 0.190 2375 G C 0.568 175.288 174.900 -0.300 0.000 1.008 2375 G CA 0.071 44.986 45.100 -0.307 0.000 0.731 2375 G HN 1.829 nan 8.290 nan 0.000 0.478 2376 G N -0.635 108.043 108.800 -0.203 0.000 2.347 2376 G HA2 0.482 4.441 3.960 -0.003 0.000 0.477 2376 G HA3 0.482 4.441 3.960 -0.003 0.000 0.477 2376 G C -0.286 174.490 174.900 -0.208 0.000 1.349 2376 G CA -0.042 44.949 45.100 -0.182 0.000 1.000 2376 G HN 1.750 nan 8.290 nan 0.000 0.605 2377 I N -0.844 119.566 120.570 -0.267 0.000 2.634 2377 I HA 0.647 4.815 4.170 -0.003 0.000 0.284 2377 I C 0.647 176.642 176.117 -0.203 0.000 1.124 2377 I CA -0.541 60.582 61.300 -0.294 0.000 1.417 2377 I CB 0.419 38.165 38.000 -0.423 0.000 1.396 2377 I HN 0.540 nan 8.210 nan 0.000 0.571 2378 I N 3.913 124.362 120.570 -0.202 0.000 2.532 2378 I HA 0.193 4.361 4.170 -0.003 0.000 0.292 2378 I C -0.003 175.950 176.117 -0.273 0.000 1.014 2378 I CA -0.298 60.881 61.300 -0.203 0.000 1.340 2378 I CB 0.860 38.756 38.000 -0.172 0.000 1.422 2378 I HN 0.660 nan 8.210 nan 0.000 0.528 2379 D N 7.401 127.618 120.400 -0.305 0.000 2.317 2379 D HA 0.234 4.872 4.640 -0.003 0.000 0.234 2379 D C -1.900 174.236 176.300 -0.273 0.000 1.112 2379 D CA -2.312 51.468 54.000 -0.366 0.000 0.840 2379 D CB 1.908 42.548 40.800 -0.267 0.000 1.078 2379 D HN 0.131 nan 8.370 nan 0.000 0.486 2380 P HA -0.142 nan 4.420 nan 0.000 0.215 2380 P C 1.178 178.424 177.300 -0.089 0.000 1.153 2380 P CA 1.164 64.162 63.100 -0.171 0.000 0.853 2380 P CB 0.413 32.017 31.700 -0.159 0.000 0.788 2381 K N -0.360 120.003 120.400 -0.061 0.000 2.031 2381 K HA -0.057 4.261 4.320 -0.003 0.000 0.205 2381 K C 1.820 178.447 176.600 0.045 0.000 1.049 2381 K CA 1.231 57.528 56.287 0.017 0.000 0.939 2381 K CB -0.636 31.907 32.500 0.073 0.000 0.717 2381 K HN 0.211 nan 8.250 nan 0.000 0.438 2382 E N 0.244 120.477 120.200 0.055 0.000 2.318 2382 E HA -0.011 4.338 4.350 -0.003 0.000 0.193 2382 E C 0.248 176.962 176.600 0.189 0.000 0.998 2382 E CA 0.087 56.575 56.400 0.148 0.000 0.859 2382 E CB 0.058 29.900 29.700 0.236 0.000 0.812 2382 E HN 0.074 nan 8.360 nan 0.000 0.492 2383 S N 0.493 116.229 115.700 0.060 0.000 3.884 2383 S HA -0.181 4.287 4.470 -0.003 0.000 0.374 2383 S C -0.534 174.166 174.600 0.167 0.000 0.971 2383 S CA 1.139 59.378 58.200 0.065 0.000 1.152 2383 S CB -1.826 61.421 63.200 0.078 0.000 0.877 2383 S HN 0.696 nan 8.310 nan 0.000 0.491 2384 H N -1.609 117.474 119.070 0.021 0.000 2.917 2384 H HA 0.791 5.346 4.556 -0.003 0.000 0.299 2384 H C -0.586 174.775 175.328 0.055 0.000 1.418 2384 H CA -1.383 54.697 56.048 0.053 0.000 1.138 2384 H CB 0.256 30.067 29.762 0.081 0.000 1.830 2384 H HN 0.072 nan 8.280 nan 0.000 0.514 2385 R N 0.614 121.214 120.500 0.167 0.000 2.582 2385 R HA 0.494 4.832 4.340 -0.003 0.000 0.271 2385 R C -0.682 175.759 176.300 0.234 0.000 1.078 2385 R CA -0.695 55.463 56.100 0.097 0.000 1.127 2385 R CB 0.119 30.428 30.300 0.015 0.000 1.038 2385 R HN 0.647 nan 8.270 nan 0.000 0.500 2386 L N 2.608 123.898 121.223 0.111 0.000 2.408 2386 L HA 0.441 4.779 4.340 -0.003 0.000 0.268 2386 L C -2.228 174.722 176.870 0.134 0.000 0.986 2386 L CA -2.250 52.670 54.840 0.132 0.000 0.820 2386 L CB 2.500 44.569 42.059 0.018 0.000 1.303 2386 L HN 0.270 nan 8.230 nan 0.000 0.411 2387 P HA -0.035 nan 4.420 nan 0.000 0.267 2387 P C 0.759 178.034 177.300 -0.042 0.000 1.200 2387 P CA -0.093 63.061 63.100 0.091 0.000 0.772 2387 P CB 0.963 32.692 31.700 0.048 0.000 0.855 2388 V N 2.903 122.750 119.914 -0.111 0.000 2.380 2388 V HA -0.267 3.851 4.120 -0.003 0.000 0.251 2388 V C 1.636 177.370 176.094 -0.599 0.000 1.063 2388 V CA 2.658 64.768 62.300 -0.316 0.000 1.055 2388 V CB -0.942 30.720 31.823 -0.269 0.000 0.657 2388 V HN 0.689 nan 8.190 nan 0.000 0.455 2389 D N -0.556 119.662 120.400 -0.303 0.000 2.178 2389 D HA -0.176 4.462 4.640 -0.003 0.000 0.202 2389 D C 2.041 178.323 176.300 -0.031 0.000 0.974 2389 D CA 1.307 55.221 54.000 -0.143 0.000 0.841 2389 D CB -0.329 40.479 40.800 0.014 0.000 0.953 2389 D HN 0.456 nan 8.370 nan 0.000 0.478 2390 I N 1.855 122.405 120.570 -0.033 0.000 2.353 2390 I HA -0.081 4.087 4.170 -0.003 0.000 0.248 2390 I C 2.840 178.982 176.117 0.042 0.000 1.119 2390 I CA 0.569 61.881 61.300 0.020 0.000 1.417 2390 I CB -1.466 36.552 38.000 0.030 0.000 1.078 2390 I HN -0.000 nan 8.210 nan 0.000 0.421 2391 A N 0.557 123.388 122.820 0.018 0.000 1.940 2391 A HA -0.234 4.084 4.320 -0.003 0.000 0.219 2391 A C 2.181 179.887 177.584 0.204 0.000 1.176 2391 A CA 1.583 53.691 52.037 0.117 0.000 0.631 2391 A CB -0.879 18.145 19.000 0.040 0.000 0.814 2391 A HN 0.354 nan 8.150 nan 0.000 0.446 2392 Y N -0.386 119.983 120.300 0.115 0.000 2.220 2392 Y HA -0.070 4.478 4.550 -0.003 0.000 0.291 2392 Y C 2.309 178.223 175.900 0.023 0.000 1.129 2392 Y CA 1.150 59.293 58.100 0.072 0.000 1.161 2392 Y CB -0.781 37.704 38.460 0.041 0.000 0.997 2392 Y HN 0.301 nan 8.280 nan 0.000 0.522 2393 K N 0.421 120.924 120.400 0.171 0.000 2.147 2393 K HA -0.121 4.198 4.320 -0.003 0.000 0.205 2393 K C 1.668 178.252 176.600 -0.027 0.000 1.049 2393 K CA 1.184 57.510 56.287 0.065 0.000 0.936 2393 K CB -0.006 32.523 32.500 0.048 0.000 0.722 2393 K HN 0.212 nan 8.250 nan 0.000 0.446 2394 R N -0.939 119.493 120.500 -0.113 0.000 2.317 2394 R HA 0.104 4.443 4.340 -0.003 0.000 0.208 2394 R C 0.482 176.430 176.300 -0.588 0.000 0.914 2394 R CA 0.517 56.388 56.100 -0.381 0.000 1.060 2394 R CB 0.631 30.619 30.300 -0.520 0.000 1.015 2394 R HN 0.322 nan 8.270 nan 0.000 0.498 2395 G N 0.972 109.657 108.800 -0.192 0.000 2.256 2395 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.272 2395 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.272 2395 G C 0.068 175.141 174.900 0.288 0.000 1.076 2395 G CA 0.002 45.115 45.100 0.022 0.000 0.882 2395 G HN 0.569 nan 8.290 nan 0.000 0.497 2396 Y N -1.807 118.758 120.300 0.442 0.000 2.641 2396 Y HA 0.595 5.143 4.550 -0.003 0.000 0.248 2396 Y C 0.687 176.787 175.900 0.335 0.000 1.170 2396 Y CA -0.725 57.648 58.100 0.456 0.000 1.201 2396 Y CB 0.712 39.288 38.460 0.193 0.000 1.232 2396 Y HN 0.349 nan 8.280 nan 0.000 0.537 2397 F N 0.594 120.545 119.950 0.001 0.000 3.132 2397 F HA 0.231 4.756 4.527 -0.003 0.000 0.331 2397 F C -1.870 173.814 175.800 -0.194 0.000 1.108 2397 F CA -1.125 56.560 58.000 -0.524 0.000 0.858 2397 F CB 1.044 39.991 39.000 -0.089 0.000 1.420 2397 F HN 0.046 nan 8.300 nan 0.000 0.454 2398 N N 0.070 118.424 118.700 -0.577 0.000 3.179 2398 N HA 0.261 4.999 4.740 -0.003 0.000 0.250 2398 N C -1.127 173.920 175.510 -0.772 0.000 1.507 2398 N CA -0.778 51.918 53.050 -0.590 0.000 0.883 2398 N CB 2.075 40.376 38.487 -0.310 0.000 1.435 2398 N HN 0.418 nan 8.380 nan 0.000 0.532 2399 E N 0.317 120.072 120.200 -0.742 0.000 2.208 2399 E HA -0.076 4.272 4.350 -0.003 0.000 0.193 2399 E C 0.771 177.189 176.600 -0.304 0.000 0.988 2399 E CA 1.165 57.292 56.400 -0.455 0.000 0.828 2399 E CB -0.024 29.452 29.700 -0.373 0.000 0.763 2399 E HN 0.558 nan 8.360 nan 0.000 0.478 2400 E N 0.124 120.154 120.200 -0.282 0.000 2.268 2400 E HA -0.123 4.226 4.350 -0.003 0.000 0.195 2400 E C 1.601 178.089 176.600 -0.187 0.000 0.995 2400 E CA 0.594 56.888 56.400 -0.177 0.000 0.836 2400 E CB 0.018 29.648 29.700 -0.117 0.000 0.763 2400 E HN 0.269 nan 8.360 nan 0.000 0.491 2401 L N 0.012 121.027 121.223 -0.346 0.000 2.354 2401 L HA -0.002 4.337 4.340 -0.003 0.000 0.212 2401 L C 2.248 178.973 176.870 -0.242 0.000 1.091 2401 L CA 0.316 54.951 54.840 -0.340 0.000 0.828 2401 L CB 0.195 41.880 42.059 -0.624 0.000 0.973 2401 L HN -0.006 nan 8.230 nan 0.000 0.461 2402 S N -0.184 115.329 115.700 -0.312 0.000 2.368 2402 S HA -0.169 4.300 4.470 -0.003 0.000 0.224 2402 S C 1.746 176.347 174.600 0.001 0.000 1.029 2402 S CA 1.120 59.296 58.200 -0.041 0.000 0.988 2402 S CB -0.129 63.082 63.200 0.018 0.000 0.838 2402 S HN 0.413 nan 8.310 nan 0.000 0.462 2403 E N 0.798 120.971 120.200 -0.045 0.000 2.153 2403 E HA -0.088 4.260 4.350 -0.003 0.000 0.194 2403 E C 1.762 178.363 176.600 0.002 0.000 0.988 2403 E CA 0.900 57.289 56.400 -0.019 0.000 0.811 2403 E CB -0.267 29.410 29.700 -0.037 0.000 0.746 2403 E HN 0.516 nan 8.360 nan 0.000 0.466 2404 I N 0.679 121.251 120.570 0.003 0.000 2.676 2404 I HA -0.208 3.960 4.170 -0.003 0.000 0.259 2404 I C 2.038 178.188 176.117 0.055 0.000 1.194 2404 I CA 0.709 62.026 61.300 0.029 0.000 1.473 2404 I CB -0.063 37.958 38.000 0.034 0.000 1.096 2404 I HN 0.129 nan 8.210 nan 0.000 0.443 2405 L N -0.071 121.193 121.223 0.069 0.000 2.145 2405 L HA -0.060 4.279 4.340 -0.003 0.000 0.201 2405 L C 2.838 179.744 176.870 0.061 0.000 1.075 2405 L CA 1.118 56.008 54.840 0.083 0.000 0.773 2405 L CB -0.621 41.510 42.059 0.119 0.000 0.936 2405 L HN 0.270 nan 8.230 nan 0.000 0.451 2406 S N -0.809 114.922 115.700 0.053 0.000 2.368 2406 S HA -0.220 4.248 4.470 -0.003 0.000 0.225 2406 S C 0.927 175.545 174.600 0.030 0.000 1.030 2406 S CA 1.284 59.507 58.200 0.039 0.000 0.999 2406 S CB -0.378 62.842 63.200 0.034 0.000 0.844 2406 S HN 0.390 nan 8.310 nan 0.000 0.459 2407 D N 3.382 123.798 120.400 0.028 0.000 2.514 2407 D HA 0.418 5.057 4.640 -0.003 0.000 0.267 2407 D C -2.552 173.766 176.300 0.030 0.000 1.165 2407 D CA -2.418 51.596 54.000 0.023 0.000 0.958 2407 D CB 1.034 41.844 40.800 0.015 0.000 0.992 2407 D HN 0.244 nan 8.370 nan 0.000 0.506 2408 P HA 0.191 nan 4.420 nan 0.000 0.276 2408 P C -0.443 176.881 177.300 0.041 0.000 1.244 2408 P CA -0.369 62.759 63.100 0.046 0.000 0.801 2408 P CB 1.600 33.333 31.700 0.054 0.000 1.006 2409 S N -0.379 115.349 115.700 0.047 0.000 2.900 2409 S HA 0.344 4.812 4.470 -0.003 0.000 0.320 2409 S C 0.647 175.275 174.600 0.048 0.000 1.130 2409 S CA -0.605 57.620 58.200 0.041 0.000 0.863 2409 S CB 0.285 63.507 63.200 0.035 0.000 1.295 2409 S HN 0.328 nan 8.310 nan 0.000 0.596 2410 D N 0.780 121.205 120.400 0.041 0.000 2.310 2410 D HA -0.002 4.636 4.640 -0.003 0.000 0.212 2410 D C 0.602 176.932 176.300 0.049 0.000 0.965 2410 D CA 1.074 55.100 54.000 0.045 0.000 0.879 2410 D CB -0.461 40.361 40.800 0.036 0.000 0.921 2410 D HN 0.541 nan 8.370 nan 0.000 0.510 2411 D N 0.139 120.568 120.400 0.048 0.000 2.110 2411 D HA -0.057 4.581 4.640 -0.003 0.000 0.202 2411 D C 1.183 177.523 176.300 0.067 0.000 0.975 2411 D CA 0.971 55.001 54.000 0.050 0.000 0.839 2411 D CB -0.352 40.474 40.800 0.044 0.000 0.996 2411 D HN -0.009 nan 8.370 nan 0.000 0.464 2412 T N 0.899 115.500 114.554 0.078 0.000 3.473 2412 T HA 0.027 4.375 4.350 -0.003 0.000 0.247 2412 T C 1.044 175.826 174.700 0.137 0.000 1.010 2412 T CA 0.098 62.262 62.100 0.107 0.000 0.940 2412 T CB -0.324 68.602 68.868 0.097 0.000 1.068 2412 T HN 0.323 nan 8.240 nan 0.000 0.604 2413 K N 0.090 120.566 120.400 0.126 0.000 2.374 2413 K HA 0.318 4.636 4.320 -0.003 0.000 0.196 2413 K C 2.268 178.988 176.600 0.201 0.000 1.023 2413 K CA 0.134 56.511 56.287 0.150 0.000 1.103 2413 K CB -0.140 32.424 32.500 0.107 0.000 0.848 2413 K HN 0.130 nan 8.250 nan 0.000 0.528 2414 G N 2.066 110.966 108.800 0.167 0.000 3.202 2414 G HA2 -0.326 3.633 3.960 -0.003 0.000 0.271 2414 G HA3 -0.326 3.633 3.960 -0.003 0.000 0.271 2414 G C 0.166 175.003 174.900 -0.106 0.000 1.078 2414 G CA 1.316 46.428 45.100 0.021 0.000 0.797 2414 G HN 0.349 nan 8.290 nan 0.000 0.698 2415 F N -0.771 119.255 119.950 0.127 0.000 2.379 2415 F HA 0.633 5.158 4.527 -0.003 0.000 0.332 2415 F C -0.010 175.890 175.800 0.167 0.000 1.096 2415 F CA -1.716 56.374 58.000 0.151 0.000 1.105 2415 F CB 1.078 40.170 39.000 0.153 0.000 1.189 2415 F HN 0.059 nan 8.300 nan 0.000 0.515 2416 F N 2.641 122.694 119.950 0.172 0.000 2.444 2416 F HA 0.314 4.839 4.527 -0.003 0.000 0.342 2416 F C -0.371 175.485 175.800 0.093 0.000 1.121 2416 F CA -0.938 57.122 58.000 0.100 0.000 0.997 2416 F CB 0.798 39.827 39.000 0.048 0.000 1.130 2416 F HN 0.438 nan 8.300 nan 0.000 0.454 2417 D N 8.290 128.272 120.400 -0.697 0.000 2.339 2417 D HA 0.228 4.866 4.640 -0.003 0.000 0.241 2417 D C -2.083 173.723 176.300 -0.824 0.000 1.183 2417 D CA -2.001 51.681 54.000 -0.530 0.000 0.859 2417 D CB 2.089 42.680 40.800 -0.348 0.000 1.067 2417 D HN 0.306 nan 8.370 nan 0.000 0.484 2418 P HA -0.109 nan 4.420 nan 0.000 0.215 2418 P C 1.004 178.301 177.300 -0.006 0.000 1.153 2418 P CA 0.793 63.950 63.100 0.095 0.000 0.853 2418 P CB 0.444 32.255 31.700 0.185 0.000 0.788 2419 N N -1.425 117.239 118.700 -0.060 0.000 2.048 2419 N HA -0.112 4.627 4.740 -0.003 0.000 0.193 2419 N C 1.887 177.359 175.510 -0.064 0.000 1.061 2419 N CA 1.799 54.826 53.050 -0.038 0.000 0.849 2419 N CB -1.484 36.983 38.487 -0.033 0.000 1.044 2419 N HN 0.047 nan 8.380 nan 0.000 0.429 2420 T N 0.201 114.690 114.554 -0.108 0.000 3.072 2420 T HA -0.104 4.244 4.350 -0.003 0.000 0.266 2420 T C -0.045 174.580 174.700 -0.126 0.000 1.127 2420 T CA 0.438 62.480 62.100 -0.098 0.000 1.107 2420 T CB -0.316 68.494 68.868 -0.097 0.000 0.910 2420 T HN 0.395 nan 8.240 nan 0.000 0.513 2421 E N 1.368 121.419 120.200 -0.247 0.000 2.291 2421 E HA -0.168 4.180 4.350 -0.003 0.000 0.181 2421 E C -0.281 176.183 176.600 -0.226 0.000 1.480 2421 E CA 0.673 56.892 56.400 -0.301 0.000 0.674 2421 E CB -1.038 28.702 29.700 0.066 0.000 1.108 2421 E HN 0.891 nan 8.360 nan 0.000 0.357 2422 E N 0.681 120.635 120.200 -0.411 0.000 2.454 2422 E HA 0.489 4.838 4.350 -0.003 0.000 0.279 2422 E C -0.889 175.626 176.600 -0.141 0.000 1.029 2422 E CA -1.203 55.104 56.400 -0.155 0.000 0.831 2422 E CB 0.928 30.573 29.700 -0.092 0.000 1.405 2422 E HN 0.077 nan 8.360 nan 0.000 0.463 2423 N N 0.497 119.205 118.700 0.013 0.000 2.456 2423 N HA 0.598 5.336 4.740 -0.003 0.000 0.296 2423 N C -0.465 175.083 175.510 0.063 0.000 1.102 2423 N CA -0.304 52.793 53.050 0.079 0.000 0.924 2423 N CB 1.593 40.152 38.487 0.120 0.000 1.186 2423 N HN 0.552 nan 8.380 nan 0.000 0.492 2424 L N -2.371 118.920 121.223 0.114 0.000 2.933 2424 L HA 0.604 4.942 4.340 -0.003 0.000 0.271 2424 L C -0.127 176.846 176.870 0.172 0.000 1.071 2424 L CA -1.168 53.730 54.840 0.098 0.000 0.938 2424 L CB 1.358 43.432 42.059 0.025 0.000 1.534 2424 L HN 0.395 nan 8.230 nan 0.000 0.396 2425 T N -3.519 111.095 114.554 0.100 0.000 2.918 2425 T HA 0.309 4.657 4.350 -0.003 0.000 0.283 2425 T C 0.791 175.452 174.700 -0.065 0.000 1.001 2425 T CA -0.161 61.998 62.100 0.099 0.000 1.041 2425 T CB 1.038 69.949 68.868 0.071 0.000 1.028 2425 T HN 0.600 nan 8.240 nan 0.000 0.511 2426 Y N 1.200 121.252 120.300 -0.414 0.000 2.151 2426 Y HA -0.139 4.409 4.550 -0.003 0.000 0.284 2426 Y C 2.204 177.931 175.900 -0.289 0.000 1.166 2426 Y CA 1.653 59.386 58.100 -0.612 0.000 1.163 2426 Y CB -0.280 37.786 38.460 -0.657 0.000 0.974 2426 Y HN 0.588 nan 8.280 nan 0.000 0.511 2427 L N 0.506 121.685 121.223 -0.073 0.000 1.990 2427 L HA -0.310 4.028 4.340 -0.003 0.000 0.213 2427 L C 1.979 178.774 176.870 -0.124 0.000 1.072 2427 L CA 2.288 57.080 54.840 -0.080 0.000 0.755 2427 L CB -1.160 40.884 42.059 -0.025 0.000 0.889 2427 L HN 0.439 nan 8.230 nan 0.000 0.432 2428 Q N -0.724 119.017 119.800 -0.098 0.000 2.020 2428 Q HA -0.256 4.083 4.340 -0.003 0.000 0.202 2428 Q C 2.176 178.095 176.000 -0.134 0.000 0.982 2428 Q CA 1.636 57.385 55.803 -0.090 0.000 0.838 2428 Q CB -0.300 28.409 28.738 -0.050 0.000 0.899 2428 Q HN 0.393 nan 8.270 nan 0.000 0.423 2429 L N 1.601 122.716 121.223 -0.180 0.000 2.012 2429 L HA -0.225 4.114 4.340 -0.003 0.000 0.210 2429 L C 2.310 179.024 176.870 -0.259 0.000 1.073 2429 L CA 1.929 56.645 54.840 -0.207 0.000 0.748 2429 L CB -0.479 41.437 42.059 -0.237 0.000 0.891 2429 L HN 0.079 nan 8.230 nan 0.000 0.431 2430 K N -0.317 119.854 120.400 -0.380 0.000 2.113 2430 K HA -0.255 4.064 4.320 -0.003 0.000 0.208 2430 K C 1.777 178.259 176.600 -0.196 0.000 1.047 2430 K CA 1.864 57.943 56.287 -0.348 0.000 0.928 2430 K CB -0.085 32.173 32.500 -0.403 0.000 0.716 2430 K HN 0.666 nan 8.250 nan 0.000 0.446 2431 E N -0.271 119.836 120.200 -0.156 0.000 2.427 2431 E HA -0.082 4.267 4.350 -0.003 0.000 0.196 2431 E C 1.317 177.859 176.600 -0.097 0.000 1.028 2431 E CA 0.516 56.851 56.400 -0.108 0.000 0.864 2431 E CB 0.079 29.728 29.700 -0.085 0.000 0.813 2431 E HN 0.112 nan 8.360 nan 0.000 0.514 2432 R N 0.157 120.592 120.500 -0.109 0.000 2.313 2432 R HA 0.181 4.520 4.340 -0.003 0.000 0.199 2432 R C -0.136 176.111 176.300 -0.087 0.000 0.958 2432 R CA 0.053 56.099 56.100 -0.091 0.000 1.047 2432 R CB -0.581 29.663 30.300 -0.093 0.000 0.955 2432 R HN 0.226 nan 8.270 nan 0.000 0.481 2433 C N 0.730 119.970 119.300 -0.100 0.000 2.351 2433 C HA 0.510 4.969 4.460 -0.003 0.000 0.359 2433 C C 0.868 175.804 174.990 -0.090 0.000 1.193 2433 C CA -0.997 57.966 59.018 -0.092 0.000 2.270 2433 C CB 1.227 28.906 27.740 -0.102 0.000 2.369 2433 C HN 0.317 nan 8.230 nan 0.000 0.553 2434 I N 1.996 122.506 120.570 -0.100 0.000 2.460 2434 I HA 0.372 4.540 4.170 -0.003 0.000 0.298 2434 I C 0.050 176.102 176.117 -0.108 0.000 0.989 2434 I CA -0.353 60.876 61.300 -0.119 0.000 1.173 2434 I CB 0.946 38.837 38.000 -0.181 0.000 1.338 2434 I HN 0.681 nan 8.210 nan 0.000 0.456 2435 K N 4.494 124.838 120.400 -0.093 0.000 2.107 2435 K HA 0.193 4.511 4.320 -0.003 0.000 0.251 2435 K C -1.084 175.469 176.600 -0.078 0.000 1.012 2435 K CA -0.323 55.921 56.287 -0.072 0.000 0.920 2435 K CB 1.008 33.474 32.500 -0.057 0.000 1.033 2435 K HN 0.644 nan 8.250 nan 0.000 0.478 2436 D N 0.132 120.501 120.400 -0.051 0.000 2.248 2436 D HA 0.032 4.671 4.640 -0.003 0.000 0.246 2436 D C 0.858 177.142 176.300 -0.026 0.000 1.027 2436 D CA -0.497 53.480 54.000 -0.038 0.000 0.853 2436 D CB 1.168 41.962 40.800 -0.010 0.000 1.243 2436 D HN 0.512 nan 8.370 nan 0.000 0.462 2437 E N 3.125 123.313 120.200 -0.020 0.000 2.051 2437 E HA -0.193 4.155 4.350 -0.003 0.000 0.189 2437 E C 1.178 177.774 176.600 -0.006 0.000 0.979 2437 E CA 0.938 57.329 56.400 -0.014 0.000 0.803 2437 E CB -0.486 29.207 29.700 -0.012 0.000 0.761 2437 E HN 0.798 nan 8.360 nan 0.000 0.451 2438 E N 1.244 121.444 120.200 0.001 0.000 2.358 2438 E HA -0.058 4.290 4.350 -0.003 0.000 0.195 2438 E C 1.652 178.253 176.600 0.002 0.000 1.010 2438 E CA 1.498 57.900 56.400 0.003 0.000 0.856 2438 E CB -0.143 29.562 29.700 0.009 0.000 0.795 2438 E HN 0.412 nan 8.360 nan 0.000 0.504 2439 T N -4.215 110.340 114.554 0.001 0.000 3.058 2439 T HA 0.408 4.756 4.350 -0.003 0.000 0.247 2439 T C 1.741 176.437 174.700 -0.007 0.000 0.987 2439 T CA 0.529 62.629 62.100 -0.001 0.000 1.062 2439 T CB 0.570 69.442 68.868 0.007 0.000 1.048 2439 T HN 0.338 nan 8.240 nan 0.000 0.468 2440 G N 1.922 110.717 108.800 -0.009 0.000 2.217 2440 G HA2 -0.190 3.769 3.960 -0.003 0.000 0.246 2440 G HA3 -0.190 3.769 3.960 -0.003 0.000 0.246 2440 G C 0.033 174.924 174.900 -0.015 0.000 0.990 2440 G CA 0.084 45.175 45.100 -0.015 0.000 0.627 2440 G HN 0.724 nan 8.290 nan 0.000 0.522 2441 L N 1.512 122.731 121.223 -0.007 0.000 2.462 2441 L HA 0.316 4.654 4.340 -0.003 0.000 0.272 2441 L C 1.288 178.153 176.870 -0.007 0.000 1.166 2441 L CA -0.790 54.050 54.840 0.000 0.000 0.880 2441 L CB 0.340 42.408 42.059 0.014 0.000 1.142 2441 L HN 0.212 nan 8.230 nan 0.000 0.473 2442 C N 4.920 124.212 119.300 -0.015 0.000 2.653 2442 C HA 0.331 4.789 4.460 -0.003 0.000 0.421 2442 C C 0.603 175.581 174.990 -0.019 0.000 1.334 2442 C CA -0.288 58.710 59.018 -0.034 0.000 1.885 2442 C CB -0.529 27.179 27.740 -0.053 0.000 2.645 2442 C HN 0.561 nan 8.230 nan 0.000 0.601 2443 L N 3.398 124.604 121.223 -0.028 0.000 2.381 2443 L HA 0.492 4.830 4.340 -0.003 0.000 0.268 2443 L C -0.437 176.431 176.870 -0.003 0.000 0.997 2443 L CA -0.752 54.092 54.840 0.007 0.000 0.818 2443 L CB 1.526 43.609 42.059 0.040 0.000 1.310 2443 L HN 0.470 nan 8.230 nan 0.000 0.416 2444 L N 6.382 127.621 121.223 0.028 0.000 2.261 2444 L HA 0.442 4.780 4.340 -0.003 0.000 0.289 2444 L C -2.181 174.730 176.870 0.069 0.000 1.059 2444 L CA -1.489 53.364 54.840 0.021 0.000 0.816 2444 L CB 0.601 42.673 42.059 0.022 0.000 1.191 2444 L HN 0.250 nan 8.230 nan 0.000 0.431 2445 P HA 0.134 nan 4.420 nan 0.000 0.276 2445 P C -1.015 176.340 177.300 0.092 0.000 1.235 2445 P CA -0.134 63.039 63.100 0.122 0.000 0.772 2445 P CB 1.557 33.298 31.700 0.067 0.000 0.871 2446 L N 3.038 124.326 121.223 0.109 0.000 2.192 2446 L HA 0.611 4.950 4.340 -0.003 0.000 0.250 2446 L C 0.279 177.181 176.870 0.055 0.000 1.114 2446 L CA -0.959 53.922 54.840 0.068 0.000 1.065 2446 L CB 1.770 43.866 42.059 0.061 0.000 1.609 2446 L HN 0.431 nan 8.230 nan 0.000 0.495 2447 K N -0.285 120.137 120.400 0.037 0.000 2.555 2447 K HA 0.474 4.792 4.320 -0.003 0.000 0.279 2447 K C -1.493 175.115 176.600 0.014 0.000 0.986 2447 K CA -0.718 55.582 56.287 0.022 0.000 0.880 2447 K CB 2.877 35.392 32.500 0.025 0.000 1.474 2447 K HN 0.608 nan 8.250 nan 0.000 0.433 2448 E N 0.000 120.202 120.200 0.004 0.000 2.725 2448 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 2448 E CA 0.000 56.401 56.400 0.001 0.000 0.976 2448 E CB 0.000 29.706 29.700 0.010 0.000 0.812 2448 E HN 0.000 nan 8.360 nan 0.000 0.440