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_B 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 0.000 176.038 176.094 -0.093 0.000 1.182 2217 V CA 0.000 62.252 62.300 -0.080 0.000 1.235 2217 V CB 0.000 31.766 31.823 -0.095 0.000 1.184 2218 N N 0.304 118.933 118.700 -0.119 0.000 2.396 2218 N HA 0.023 4.762 4.740 -0.001 0.000 0.180 2218 N C 1.446 176.847 175.510 -0.183 0.000 1.028 2218 N CA 1.510 54.482 53.050 -0.131 0.000 0.893 2218 N CB -0.350 38.055 38.487 -0.136 0.000 0.967 2218 N HN 0.556 nan 8.380 nan 0.000 0.440 2219 L N 1.162 122.243 121.223 -0.237 0.000 2.156 2219 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 2219 L C 2.212 179.006 176.870 -0.127 0.000 1.095 2219 L CA 1.147 55.789 54.840 -0.330 0.000 0.770 2219 L CB -0.294 41.512 42.059 -0.422 0.000 0.914 2219 L HN 0.030 nan 8.230 nan 0.000 0.439 2220 R N -0.776 119.690 120.500 -0.058 0.000 2.280 2220 R HA -0.005 4.335 4.340 -0.001 0.000 0.207 2220 R C 1.836 178.153 176.300 0.028 0.000 1.043 2220 R CA 1.067 57.181 56.100 0.022 0.000 1.006 2220 R CB -0.311 29.999 30.300 0.016 0.000 0.885 2220 R HN 0.467 nan 8.270 nan 0.000 0.467 2221 S N -0.305 115.385 115.700 -0.017 0.000 2.605 2221 S HA 0.142 4.612 4.470 -0.001 0.000 0.217 2221 S C 1.441 176.039 174.600 -0.005 0.000 0.958 2221 S CA -0.054 58.136 58.200 -0.016 0.000 0.919 2221 S CB 0.074 63.242 63.200 -0.053 0.000 0.780 2221 S HN 0.204 nan 8.310 nan 0.000 0.507 2222 L N 0.114 121.345 121.223 0.013 0.000 2.693 2222 L HA 0.417 4.757 4.340 -0.001 0.000 0.235 2222 L C -0.640 176.353 176.870 0.204 0.000 1.127 2222 L CA -0.079 54.795 54.840 0.056 0.000 0.914 2222 L CB 0.233 42.231 42.059 -0.101 0.000 1.193 2222 L HN 0.269 nan 8.230 nan 0.000 0.502 2223 L N 0.375 121.714 121.223 0.193 0.000 2.346 2223 L HA 0.552 4.892 4.340 -0.001 0.000 0.274 2223 L C -0.020 176.953 176.870 0.172 0.000 1.007 2223 L CA -0.767 54.210 54.840 0.229 0.000 0.818 2223 L CB 1.871 44.068 42.059 0.230 0.000 1.284 2223 L HN -0.233 nan 8.230 nan 0.000 0.424 2224 V N 0.266 120.300 119.914 0.199 0.000 3.158 2224 V HA 0.608 4.728 4.120 -0.001 0.000 0.315 2224 V C -0.311 175.857 176.094 0.124 0.000 1.148 2224 V CA -0.962 61.431 62.300 0.155 0.000 1.042 2224 V CB 1.972 33.895 31.823 0.167 0.000 1.101 2224 V HN 0.871 nan 8.190 nan 0.000 0.448 2225 N N 1.972 120.712 118.700 0.066 0.000 2.420 2225 N HA 0.362 5.101 4.740 -0.001 0.000 0.249 2225 N C -1.867 173.593 175.510 -0.083 0.000 1.033 2225 N CA -1.551 51.505 53.050 0.010 0.000 0.944 2225 N CB 1.749 40.246 38.487 0.017 0.000 1.113 2225 N HN 0.515 nan 8.380 nan 0.000 0.502 2226 P HA -0.144 nan 4.420 nan 0.000 0.217 2226 P C -0.016 177.085 177.300 -0.331 0.000 1.148 2226 P CA 1.358 64.112 63.100 -0.576 0.000 0.834 2226 P CB 0.266 31.552 31.700 -0.691 0.000 0.783 2227 E N -1.214 118.885 120.200 -0.168 0.000 2.474 2227 E HA 0.205 4.554 4.350 -0.001 0.000 0.195 2227 E C 1.239 177.817 176.600 -0.037 0.000 1.039 2227 E CA -0.168 56.177 56.400 -0.092 0.000 0.881 2227 E CB -0.499 29.163 29.700 -0.062 0.000 0.970 2227 E HN 0.135 nan 8.360 nan 0.000 0.486 2228 G N 2.300 111.085 108.800 -0.026 0.000 2.667 2228 G HA2 0.210 4.170 3.960 -0.001 0.000 0.250 2228 G HA3 0.210 4.170 3.960 -0.001 0.000 0.250 2228 G C -2.176 172.749 174.900 0.041 0.000 1.212 2228 G CA -0.937 44.174 45.100 0.019 0.000 0.874 2228 G HN -0.017 nan 8.290 nan 0.000 0.561 2229 P HA 0.208 nan 4.420 nan 0.000 0.278 2229 P C 0.584 177.941 177.300 0.094 0.000 1.238 2229 P CA -0.265 62.881 63.100 0.076 0.000 0.794 2229 P CB 1.599 33.343 31.700 0.074 0.000 0.955 2230 T N 1.069 115.687 114.554 0.107 0.000 2.732 2230 T HA -0.045 4.304 4.350 -0.001 0.000 0.261 2230 T C 0.785 175.503 174.700 0.030 0.000 1.040 2230 T CA 1.087 63.247 62.100 0.101 0.000 1.145 2230 T CB -0.350 68.594 68.868 0.126 0.000 0.866 2230 T HN 0.203 nan 8.240 nan 0.000 0.427 2231 L N 3.346 124.583 121.223 0.022 0.000 2.272 2231 L HA 0.507 4.846 4.340 -0.001 0.000 0.289 2231 L C -0.454 176.516 176.870 0.167 0.000 1.032 2231 L CA -0.438 54.437 54.840 0.058 0.000 0.810 2231 L CB 0.681 42.724 42.059 -0.026 0.000 1.205 2231 L HN 0.254 nan 8.230 nan 0.000 0.422 2232 M N 3.725 123.468 119.600 0.238 0.000 2.327 2232 M HA 0.539 5.018 4.480 -0.001 0.000 0.298 2232 M C -0.726 175.706 176.300 0.220 0.000 1.065 2232 M CA -0.925 54.507 55.300 0.219 0.000 0.916 2232 M CB 1.858 34.546 32.600 0.147 0.000 1.630 2232 M HN 0.570 nan 8.290 nan 0.000 0.442 2233 R N 2.154 122.697 120.500 0.071 0.000 2.570 2233 R HA 0.298 4.637 4.340 -0.001 0.000 0.277 2233 R C -0.095 176.084 176.300 -0.201 0.000 1.039 2233 R CA 0.246 56.114 56.100 -0.386 0.000 1.065 2233 R CB 0.525 30.576 30.300 -0.415 0.000 0.964 2233 R HN 0.995 nan 8.270 nan 0.000 0.428 2234 L N 3.093 124.172 121.223 -0.241 0.000 2.693 2234 L HA 0.255 4.594 4.340 -0.001 0.000 0.235 2234 L C -0.342 176.446 176.870 -0.136 0.000 1.127 2234 L CA -0.273 54.504 54.840 -0.106 0.000 0.914 2234 L CB -0.157 41.901 42.059 -0.002 0.000 1.193 2234 L HN 0.741 nan 8.230 nan 0.000 0.502 2235 N N -3.571 115.015 118.700 -0.190 0.000 2.710 2235 N HA 0.134 4.873 4.740 -0.001 0.000 0.257 2235 N C -0.020 175.400 175.510 -0.151 0.000 1.327 2235 N CA -0.440 52.521 53.050 -0.148 0.000 0.861 2235 N CB 0.870 39.285 38.487 -0.121 0.000 1.532 2235 N HN -0.300 nan 8.380 nan 0.000 0.499 2236 S N -0.400 115.236 115.700 -0.106 0.000 2.343 2236 S HA -0.061 4.408 4.470 -0.001 0.000 0.219 2236 S C 0.219 174.771 174.600 -0.080 0.000 1.033 2236 S CA 0.873 59.022 58.200 -0.085 0.000 1.014 2236 S CB -0.498 62.666 63.200 -0.060 0.000 0.915 2236 S HN 0.578 nan 8.310 nan 0.000 0.435 2237 V N 4.072 123.944 119.914 -0.069 0.000 3.393 2237 V HA -0.184 3.935 4.120 -0.001 0.000 0.277 2237 V C 1.079 177.146 176.094 -0.046 0.000 1.257 2237 V CA 0.530 62.798 62.300 -0.054 0.000 1.316 2237 V CB -0.669 31.118 31.823 -0.060 0.000 0.755 2237 V HN 0.502 nan 8.190 nan 0.000 0.370 2238 Q N 2.166 121.949 119.800 -0.028 0.000 2.482 2238 Q HA 0.044 4.383 4.340 -0.001 0.000 0.209 2238 Q C 1.469 177.467 176.000 -0.004 0.000 0.961 2238 Q CA 0.688 56.483 55.803 -0.015 0.000 0.945 2238 Q CB -0.029 28.703 28.738 -0.011 0.000 1.012 2238 Q HN 0.886 nan 8.270 nan 0.000 0.515 2239 S N 1.440 117.136 115.700 -0.007 0.000 2.615 2239 S HA -0.100 4.369 4.470 -0.001 0.000 0.261 2239 S C 1.136 175.743 174.600 0.012 0.000 1.401 2239 S CA 0.852 59.052 58.200 0.001 0.000 0.993 2239 S CB 0.401 63.600 63.200 -0.002 0.000 0.851 2239 S HN 0.491 nan 8.310 nan 0.000 0.526 2240 S N 0.118 115.826 115.700 0.014 0.000 2.559 2240 S HA 0.318 4.788 4.470 -0.001 0.000 0.226 2240 S C 0.072 174.686 174.600 0.023 0.000 1.000 2240 S CA -0.591 57.622 58.200 0.022 0.000 0.948 2240 S CB -0.121 63.090 63.200 0.018 0.000 0.870 2240 S HN 0.751 nan 8.310 nan 0.000 0.497 2241 E N 1.925 122.136 120.200 0.018 0.000 2.409 2241 E HA 0.223 4.572 4.350 -0.001 0.000 0.257 2241 E C -0.195 176.417 176.600 0.020 0.000 1.150 2241 E CA -0.370 56.040 56.400 0.017 0.000 0.942 2241 E CB 0.488 30.195 29.700 0.013 0.000 0.979 2241 E HN 0.323 nan 8.360 nan 0.000 0.447 2242 R N 2.184 122.696 120.500 0.020 0.000 2.570 2242 R HA 0.096 4.436 4.340 -0.001 0.000 0.277 2242 R C -2.128 174.164 176.300 -0.014 0.000 1.039 2242 R CA -1.197 54.919 56.100 0.027 0.000 1.065 2242 R CB -0.267 30.052 30.300 0.031 0.000 0.964 2242 R HN 0.301 nan 8.270 nan 0.000 0.428 2243 P HA 0.070 nan 4.420 nan 0.000 0.276 2243 P C -1.134 175.909 177.300 -0.428 0.000 1.261 2243 P CA -0.585 62.376 63.100 -0.231 0.000 0.800 2243 P CB 0.559 32.123 31.700 -0.227 0.000 1.066 2244 L N 1.483 122.448 121.223 -0.430 0.000 2.298 2244 L HA 0.508 4.847 4.340 -0.001 0.000 0.284 2244 L C -1.424 175.175 176.870 -0.451 0.000 1.013 2244 L CA -0.263 54.368 54.840 -0.348 0.000 0.824 2244 L CB -0.152 41.766 42.059 -0.236 0.000 1.221 2244 L HN 0.106 nan 8.230 nan 0.000 0.418 2245 F N 5.818 125.776 119.950 0.014 0.000 2.405 2245 F HA 0.478 5.004 4.527 -0.001 0.000 0.355 2245 F C -0.152 175.582 175.800 -0.109 0.000 1.121 2245 F CA -0.576 57.409 58.000 -0.024 0.000 1.112 2245 F CB 0.913 39.876 39.000 -0.062 0.000 1.126 2245 F HN 0.225 nan 8.300 nan 0.000 0.481 2246 L N 4.655 125.851 121.223 -0.045 0.000 2.272 2246 L HA 0.526 4.865 4.340 -0.001 0.000 0.289 2246 L C -0.577 176.260 176.870 -0.054 0.000 1.032 2246 L CA -0.969 53.667 54.840 -0.339 0.000 0.810 2246 L CB 1.297 42.727 42.059 -1.049 0.000 1.205 2246 L HN 0.306 nan 8.230 nan 0.000 0.422 2247 V N 2.442 122.411 119.914 0.091 0.000 2.383 2247 V HA 0.144 4.264 4.120 -0.001 0.000 0.275 2247 V C 0.100 176.440 176.094 0.411 0.000 1.036 2247 V CA -0.814 61.590 62.300 0.173 0.000 0.889 2247 V CB 0.716 32.580 31.823 0.067 0.000 0.985 2247 V HN 0.823 nan 8.190 nan 0.000 0.459 2248 H N 6.309 125.717 119.070 0.563 0.000 3.044 2248 H HA 0.177 4.732 4.556 -0.001 0.000 0.356 2248 H C -2.424 173.108 175.328 0.338 0.000 1.134 2248 H CA -1.042 55.256 56.048 0.417 0.000 1.387 2248 H CB -0.401 29.529 29.762 0.279 0.000 1.325 2248 H HN 0.414 nan 8.280 nan 0.000 0.609 2249 P HA 0.016 nan 4.420 nan 0.000 0.297 2249 P C 1.142 178.615 177.300 0.288 0.000 1.303 2249 P CA -0.544 62.679 63.100 0.205 0.000 0.753 2249 P CB 1.196 32.959 31.700 0.105 0.000 1.281 2250 I N 0.319 120.961 120.570 0.119 0.000 2.335 2250 I HA -0.230 3.939 4.170 -0.001 0.000 0.251 2250 I C 2.010 178.149 176.117 0.036 0.000 1.129 2250 I CA 1.543 62.760 61.300 -0.138 0.000 1.402 2250 I CB -0.255 37.694 38.000 -0.085 0.000 1.069 2250 I HN 0.370 nan 8.210 nan 0.000 0.424 2251 E N 0.739 121.036 120.200 0.162 0.000 2.515 2251 E HA -0.096 4.253 4.350 -0.001 0.000 0.201 2251 E C 1.584 178.251 176.600 0.110 0.000 1.071 2251 E CA 0.963 57.474 56.400 0.183 0.000 0.880 2251 E CB -0.405 29.397 29.700 0.169 0.000 0.828 2251 E HN 0.588 nan 8.360 nan 0.000 0.540 2252 G N 1.243 110.065 108.800 0.037 0.000 2.205 2252 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.261 2252 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.261 2252 G C 0.453 175.321 174.900 -0.053 0.000 0.980 2252 G CA 0.668 45.627 45.100 -0.234 0.000 0.632 2252 G HN 0.660 nan 8.290 nan 0.000 0.533 2253 S N -0.513 115.240 115.700 0.088 0.000 2.654 2253 S HA 0.657 5.127 4.470 -0.001 0.000 0.283 2253 S C 0.863 175.533 174.600 0.118 0.000 1.180 2253 S CA 0.574 58.833 58.200 0.098 0.000 1.021 2253 S CB 1.794 65.026 63.200 0.054 0.000 1.018 2253 S HN 1.128 nan 8.310 nan 0.000 0.532 2254 T N -2.509 112.116 114.554 0.118 0.000 3.223 2254 T HA 0.186 4.536 4.350 -0.001 0.000 0.259 2254 T C 1.144 175.764 174.700 -0.134 0.000 1.015 2254 T CA -0.168 62.032 62.100 0.166 0.000 0.908 2254 T CB -0.587 68.508 68.868 0.378 0.000 1.054 2254 T HN 0.548 nan 8.240 nan 0.000 0.567 2255 T N 2.710 117.067 114.554 -0.328 0.000 2.708 2255 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 2255 T C 2.260 176.614 174.700 -0.577 0.000 1.037 2255 T CA 1.866 63.544 62.100 -0.703 0.000 1.146 2255 T CB -0.532 68.130 68.868 -0.344 0.000 0.865 2255 T HN 0.573 nan 8.240 nan 0.000 0.435 2256 V N -0.721 118.935 119.914 -0.430 0.000 2.688 2256 V HA -0.082 4.037 4.120 -0.001 0.000 0.256 2256 V C 1.789 177.661 176.094 -0.369 0.000 1.084 2256 V CA 1.534 63.571 62.300 -0.439 0.000 1.103 2256 V CB -1.435 30.046 31.823 -0.570 0.000 0.688 2256 V HN 0.528 nan 8.190 nan 0.000 0.480 2257 F N -0.193 119.669 119.950 -0.147 0.000 2.797 2257 F HA 0.233 4.759 4.527 -0.002 0.000 0.302 2257 F C 2.234 178.050 175.800 0.028 0.000 1.130 2257 F CA 0.382 58.337 58.000 -0.075 0.000 1.387 2257 F CB -0.515 38.495 39.000 0.017 0.000 1.107 2257 F HN 0.245 nan 8.300 nan 0.000 0.577 2258 H N -0.837 118.280 119.070 0.078 0.000 2.321 2258 H HA -0.140 4.416 4.556 -0.001 0.000 0.300 2258 H C 2.328 177.651 175.328 -0.009 0.000 1.087 2258 H CA 1.178 57.244 56.048 0.029 0.000 1.319 2258 H CB 0.077 29.842 29.762 0.006 0.000 1.379 2258 H HN 0.123 nan 8.280 nan 0.000 0.501 2259 S N 0.960 116.717 115.700 0.096 0.000 2.354 2259 S HA -0.170 4.300 4.470 -0.001 0.000 0.219 2259 S C 2.182 176.773 174.600 -0.014 0.000 1.035 2259 S CA 1.218 59.427 58.200 0.014 0.000 1.037 2259 S CB -0.480 62.703 63.200 -0.028 0.000 0.956 2259 S HN 0.207 nan 8.310 nan 0.000 0.428 2260 L N 2.149 123.349 121.223 -0.038 0.000 1.997 2260 L HA -0.205 4.134 4.340 -0.001 0.000 0.216 2260 L C 2.309 179.133 176.870 -0.077 0.000 1.074 2260 L CA 2.348 57.136 54.840 -0.087 0.000 0.763 2260 L CB -1.210 40.768 42.059 -0.135 0.000 0.890 2260 L HN 0.264 nan 8.230 nan 0.000 0.434 2261 A N -0.837 121.961 122.820 -0.035 0.000 1.902 2261 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 2261 A C 2.473 180.022 177.584 -0.057 0.000 1.181 2261 A CA 2.334 54.337 52.037 -0.057 0.000 0.623 2261 A CB -1.254 17.734 19.000 -0.020 0.000 0.818 2261 A HN 0.743 nan 8.150 nan 0.000 0.443 2262 S N -0.617 115.060 115.700 -0.037 0.000 2.400 2262 S HA -0.141 4.328 4.470 -0.001 0.000 0.232 2262 S C 1.623 176.205 174.600 -0.030 0.000 1.025 2262 S CA 1.300 59.474 58.200 -0.042 0.000 0.993 2262 S CB -0.307 62.870 63.200 -0.038 0.000 0.808 2262 S HN 0.526 nan 8.310 nan 0.000 0.478 2263 R N 0.214 120.700 120.500 -0.023 0.000 2.893 2263 R HA 0.436 4.775 4.340 -0.001 0.000 0.317 2263 R C -1.297 175.032 176.300 0.050 0.000 1.239 2263 R CA -0.256 55.848 56.100 0.008 0.000 1.128 2263 R CB -0.168 30.134 30.300 0.004 0.000 1.377 2263 R HN 0.281 nan 8.270 nan 0.000 0.583 2264 L N -0.128 121.104 121.223 0.015 0.000 2.362 2264 L HA 0.250 4.589 4.340 -0.001 0.000 0.271 2264 L C 0.971 177.902 176.870 0.102 0.000 1.002 2264 L CA 0.022 54.870 54.840 0.013 0.000 0.818 2264 L CB 2.160 44.124 42.059 -0.158 0.000 1.298 2264 L HN 0.040 nan 8.230 nan 0.000 0.420 2265 S N 2.804 118.686 115.700 0.304 0.000 2.593 2265 S HA 0.236 4.705 4.470 -0.001 0.000 0.217 2265 S C 0.401 175.037 174.600 0.060 0.000 0.966 2265 S CA -0.219 58.064 58.200 0.138 0.000 0.914 2265 S CB -0.789 62.466 63.200 0.092 0.000 0.776 2265 S HN 0.454 nan 8.310 nan 0.000 0.523 2266 I N -1.648 118.935 120.570 0.021 0.000 2.797 2266 I HA 0.625 4.794 4.170 -0.001 0.000 0.307 2266 I C -2.935 173.138 176.117 -0.073 0.000 1.033 2266 I CA -3.362 57.923 61.300 -0.026 0.000 1.071 2266 I CB 1.669 39.646 38.000 -0.039 0.000 1.255 2266 I HN -0.265 nan 8.210 nan 0.000 0.445 2267 P HA 0.091 nan 4.420 nan 0.000 0.271 2267 P C -0.489 176.707 177.300 -0.174 0.000 1.233 2267 P CA 0.306 63.332 63.100 -0.123 0.000 0.764 2267 P CB 0.603 32.273 31.700 -0.050 0.000 0.825 2268 T N 1.660 116.063 114.554 -0.251 0.000 2.841 2268 T HA 0.596 4.946 4.350 -0.001 0.000 0.283 2268 T C -0.788 173.737 174.700 -0.291 0.000 1.000 2268 T CA -0.536 61.425 62.100 -0.232 0.000 0.977 2268 T CB 0.804 69.555 68.868 -0.194 0.000 0.979 2268 T HN 0.157 nan 8.240 nan 0.000 0.446 2269 Y N 0.527 120.714 120.300 -0.188 0.000 2.621 2269 Y HA 0.771 5.321 4.550 -0.000 0.000 0.334 2269 Y C 0.863 176.774 175.900 0.018 0.000 1.074 2269 Y CA -0.683 57.401 58.100 -0.026 0.000 1.149 2269 Y CB 2.261 40.789 38.460 0.114 0.000 1.302 2269 Y HN 1.137 nan 8.280 nan 0.000 0.501 2270 G N 0.868 109.829 108.800 0.269 0.000 2.524 2270 G HA2 0.656 4.616 3.960 -0.001 0.000 0.310 2270 G HA3 0.656 4.616 3.960 -0.001 0.000 0.310 2270 G C -2.013 173.000 174.900 0.190 0.000 1.279 2270 G CA -0.795 44.440 45.100 0.224 0.000 0.974 2270 G HN 0.488 nan 8.290 nan 0.000 0.484 2271 L N 1.797 123.102 121.223 0.137 0.000 2.319 2271 L HA 0.442 4.781 4.340 -0.001 0.000 0.281 2271 L C 0.213 177.193 176.870 0.184 0.000 1.005 2271 L CA -0.751 54.059 54.840 -0.050 0.000 0.828 2271 L CB 1.761 43.544 42.059 -0.460 0.000 1.227 2271 L HN 0.727 nan 8.230 nan 0.000 0.415 2272 Q N 2.182 122.070 119.800 0.147 0.000 2.257 2272 Q HA 0.415 4.754 4.340 -0.001 0.000 0.262 2272 Q C -0.923 175.151 176.000 0.123 0.000 0.997 2272 Q CA -0.801 55.099 55.803 0.162 0.000 0.873 2272 Q CB 2.378 31.194 28.738 0.131 0.000 1.312 2272 Q HN 0.571 nan 8.270 nan 0.000 0.450 2273 C N 3.605 122.833 119.300 -0.119 0.000 2.256 2273 C HA 0.568 5.027 4.460 -0.001 0.000 0.333 2273 C C 0.469 175.597 174.990 0.229 0.000 1.183 2273 C CA 0.324 59.395 59.018 0.089 0.000 1.692 2273 C CB -0.791 26.848 27.740 -0.169 0.000 2.274 2273 C HN 0.875 nan 8.230 nan 0.000 0.509 2274 T N 2.591 117.305 114.554 0.266 0.000 2.870 2274 T HA 0.360 4.709 4.350 -0.001 0.000 0.277 2274 T C 1.213 175.992 174.700 0.131 0.000 1.000 2274 T CA -0.653 61.525 62.100 0.130 0.000 0.982 2274 T CB 0.647 69.527 68.868 0.020 0.000 1.249 2274 T HN 0.680 nan 8.240 nan 0.000 0.589 2275 R N -0.358 119.953 120.500 -0.314 0.000 2.241 2275 R HA -0.012 4.327 4.340 -0.001 0.000 0.224 2275 R C 2.235 178.528 176.300 -0.012 0.000 1.101 2275 R CA 1.247 57.257 56.100 -0.151 0.000 0.995 2275 R CB -0.918 29.180 30.300 -0.338 0.000 0.870 2275 R HN 0.750 nan 8.270 nan 0.000 0.463 2276 A N 0.832 123.636 122.820 -0.027 0.000 1.969 2276 A HA 0.139 4.458 4.320 -0.001 0.000 0.218 2276 A C 1.108 178.506 177.584 -0.311 0.000 1.169 2276 A CA 0.919 52.897 52.037 -0.098 0.000 0.635 2276 A CB -0.324 18.688 19.000 0.021 0.000 0.810 2276 A HN 0.426 nan 8.150 nan 0.000 0.445 2277 A N 1.502 124.243 122.820 -0.131 0.000 2.492 2277 A HA 0.494 4.814 4.320 -0.001 0.000 0.254 2277 A C -2.242 175.237 177.584 -0.175 0.000 1.091 2277 A CA -1.142 50.770 52.037 -0.207 0.000 0.768 2277 A CB -0.263 18.862 19.000 0.209 0.000 1.028 2277 A HN 0.330 nan 8.150 nan 0.000 0.498 2278 P HA 0.221 nan 4.420 nan 0.000 0.282 2278 P C -0.493 176.739 177.300 -0.114 0.000 1.262 2278 P CA -0.147 62.852 63.100 -0.169 0.000 0.773 2278 P CB 1.118 32.718 31.700 -0.167 0.000 0.879 2279 L N 3.129 124.281 121.223 -0.118 0.000 2.910 2279 L HA 0.106 4.445 4.340 -0.001 0.000 0.252 2279 L C 1.380 178.179 176.870 -0.119 0.000 1.195 2279 L CA 0.684 55.468 54.840 -0.093 0.000 1.003 2279 L CB -0.723 41.302 42.059 -0.058 0.000 1.328 2279 L HN 0.284 nan 8.230 nan 0.000 0.540 2280 D N -1.494 118.831 120.400 -0.124 0.000 2.264 2280 D HA -0.043 4.596 4.640 -0.001 0.000 0.208 2280 D C 0.791 177.072 176.300 -0.031 0.000 0.966 2280 D CA 1.012 54.952 54.000 -0.099 0.000 0.864 2280 D CB 0.143 40.892 40.800 -0.084 0.000 0.933 2280 D HN 0.244 nan 8.370 nan 0.000 0.499 2281 S N -1.950 113.744 115.700 -0.011 0.000 2.597 2281 S HA 0.244 4.713 4.470 -0.001 0.000 0.274 2281 S C 0.256 174.843 174.600 -0.023 0.000 1.132 2281 S CA -0.929 57.297 58.200 0.044 0.000 0.835 2281 S CB 0.383 63.689 63.200 0.176 0.000 1.092 2281 S HN -0.121 nan 8.310 nan 0.000 0.457 2282 I N 1.489 121.984 120.570 -0.124 0.000 2.286 2282 I HA -0.126 4.044 4.170 -0.001 0.000 0.248 2282 I C 2.253 178.165 176.117 -0.341 0.000 1.115 2282 I CA 1.931 63.004 61.300 -0.380 0.000 1.392 2282 I CB -2.090 35.369 38.000 -0.902 0.000 1.065 2282 I HN 0.806 nan 8.210 nan 0.000 0.418 2283 H N 0.393 119.422 119.070 -0.069 0.000 2.290 2283 H HA -0.095 4.461 4.556 -0.001 0.000 0.298 2283 H C 2.534 177.836 175.328 -0.044 0.000 1.087 2283 H CA 1.937 57.979 56.048 -0.010 0.000 1.291 2283 H CB -0.452 29.347 29.762 0.063 0.000 1.369 2283 H HN 0.195 nan 8.280 nan 0.000 0.492 2284 S N 0.448 116.198 115.700 0.084 0.000 2.368 2284 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 2284 S C 2.126 176.702 174.600 -0.040 0.000 1.030 2284 S CA 1.101 59.312 58.200 0.018 0.000 0.999 2284 S CB -0.369 62.828 63.200 -0.005 0.000 0.844 2284 S HN 0.192 nan 8.310 nan 0.000 0.459 2285 L N 1.881 123.035 121.223 -0.114 0.000 2.079 2285 L HA -0.033 4.306 4.340 -0.001 0.000 0.210 2285 L C 2.287 178.934 176.870 -0.373 0.000 1.081 2285 L CA 1.794 56.481 54.840 -0.255 0.000 0.752 2285 L CB -1.013 40.892 42.059 -0.257 0.000 0.896 2285 L HN 0.250 nan 8.230 nan 0.000 0.433 2286 A N -0.597 122.090 122.820 -0.223 0.000 1.872 2286 A HA -0.019 4.301 4.320 -0.001 0.000 0.214 2286 A C 2.466 180.010 177.584 -0.067 0.000 1.187 2286 A CA 1.594 53.544 52.037 -0.145 0.000 0.614 2286 A CB -1.217 17.703 19.000 -0.132 0.000 0.826 2286 A HN 0.536 nan 8.150 nan 0.000 0.442 2287 A N -1.308 121.496 122.820 -0.027 0.000 1.948 2287 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 2287 A C 2.158 179.763 177.584 0.036 0.000 1.177 2287 A CA 1.916 53.958 52.037 0.008 0.000 0.636 2287 A CB -0.834 18.188 19.000 0.036 0.000 0.815 2287 A HN 0.826 nan 8.150 nan 0.000 0.449 2288 Y N -1.088 119.173 120.300 -0.065 0.000 2.200 2288 Y HA -0.191 4.358 4.550 -0.001 0.000 0.290 2288 Y C 2.115 178.072 175.900 0.094 0.000 1.137 2288 Y CA 1.442 59.532 58.100 -0.016 0.000 1.163 2288 Y CB -0.597 37.835 38.460 -0.047 0.000 0.988 2288 Y HN 0.449 nan 8.280 nan 0.000 0.518 2289 Y N -0.499 119.633 120.300 -0.280 0.000 2.293 2289 Y HA -0.229 4.321 4.550 -0.001 0.000 0.291 2289 Y C 2.467 178.129 175.900 -0.397 0.000 1.137 2289 Y CA 0.755 58.628 58.100 -0.379 0.000 1.202 2289 Y CB -0.088 38.267 38.460 -0.174 0.000 0.990 2289 Y HN 0.131 nan 8.280 nan 0.000 0.537 2290 I N 0.093 120.576 120.570 -0.146 0.000 2.226 2290 I HA -0.331 3.839 4.170 -0.001 0.000 0.245 2290 I C 1.785 177.725 176.117 -0.296 0.000 1.100 2290 I CA 1.252 62.389 61.300 -0.272 0.000 1.374 2290 I CB -0.356 37.531 38.000 -0.188 0.000 1.057 2290 I HN 0.218 nan 8.210 nan 0.000 0.413 2291 D N 0.438 120.714 120.400 -0.206 0.000 2.149 2291 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 2291 D C 2.262 178.422 176.300 -0.232 0.000 0.990 2291 D CA 1.294 55.193 54.000 -0.169 0.000 0.839 2291 D CB -0.336 40.420 40.800 -0.074 0.000 0.948 2291 D HN 0.396 nan 8.370 nan 0.000 0.460 2292 C N 0.422 119.518 119.300 -0.340 0.000 2.435 2292 C HA 0.005 4.464 4.460 -0.001 0.000 0.279 2292 C C 2.830 177.600 174.990 -0.367 0.000 1.321 2292 C CA -0.249 58.570 59.018 -0.331 0.000 1.752 2292 C CB -0.853 26.648 27.740 -0.398 0.000 1.959 2292 C HN 0.332 nan 8.230 nan 0.000 0.500 2293 I N 0.709 120.968 120.570 -0.519 0.000 2.133 2293 I HA -0.189 3.980 4.170 -0.001 0.000 0.238 2293 I C 2.616 178.454 176.117 -0.465 0.000 1.074 2293 I CA 1.448 62.279 61.300 -0.781 0.000 1.342 2293 I CB -0.471 36.829 38.000 -1.167 0.000 1.053 2293 I HN 0.284 nan 8.210 nan 0.000 0.404 2294 R N 0.488 120.781 120.500 -0.345 0.000 2.371 2294 R HA -0.221 4.118 4.340 -0.001 0.000 0.226 2294 R C 2.007 178.272 176.300 -0.059 0.000 1.132 2294 R CA 0.955 56.985 56.100 -0.116 0.000 1.027 2294 R CB -0.284 29.971 30.300 -0.075 0.000 0.848 2294 R HN 0.601 nan 8.270 nan 0.000 0.479 2295 Q N -0.559 119.177 119.800 -0.106 0.000 2.163 2295 Q HA -0.016 4.324 4.340 -0.001 0.000 0.198 2295 Q C 2.010 177.989 176.000 -0.035 0.000 0.954 2295 Q CA 0.826 56.595 55.803 -0.057 0.000 0.851 2295 Q CB 0.338 29.037 28.738 -0.065 0.000 0.928 2295 Q HN 0.150 nan 8.270 nan 0.000 0.459 2296 V N 0.176 120.045 119.914 -0.074 0.000 2.649 2296 V HA -0.077 4.042 4.120 -0.001 0.000 0.248 2296 V C 0.747 176.876 176.094 0.059 0.000 1.054 2296 V CA 1.018 63.294 62.300 -0.041 0.000 1.073 2296 V CB 0.439 32.127 31.823 -0.226 0.000 0.699 2296 V HN 0.258 nan 8.190 nan 0.000 0.463 2297 Q N -0.713 119.153 119.800 0.110 0.000 2.589 2297 Q HA 0.235 4.575 4.340 -0.001 0.000 0.245 2297 Q C -2.317 173.823 176.000 0.234 0.000 0.931 2297 Q CA -1.537 54.392 55.803 0.211 0.000 0.730 2297 Q CB 2.331 31.308 28.738 0.399 0.000 1.315 2297 Q HN 0.220 nan 8.270 nan 0.000 0.469 2298 P HA -0.122 nan 4.420 nan 0.000 0.218 2298 P C -0.560 176.822 177.300 0.137 0.000 1.148 2298 P CA 1.103 64.276 63.100 0.122 0.000 0.822 2298 P CB 0.360 32.100 31.700 0.066 0.000 0.784 2299 E N -1.163 119.064 120.200 0.045 0.000 2.301 2299 E HA 0.330 4.679 4.350 -0.001 0.000 0.275 2299 E C 1.708 178.081 176.600 -0.379 0.000 1.030 2299 E CA 0.096 56.453 56.400 -0.071 0.000 0.852 2299 E CB -0.213 29.448 29.700 -0.065 0.000 1.060 2299 E HN -0.076 nan 8.360 nan 0.000 0.401 2300 G N 4.788 113.458 108.800 -0.217 0.000 2.679 2300 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.222 2300 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.222 2300 G C -1.302 173.303 174.900 -0.492 0.000 1.164 2300 G CA 0.402 45.364 45.100 -0.231 0.000 0.769 2300 G HN 0.496 nan 8.290 nan 0.000 0.610 2301 P HA 0.119 nan 4.420 nan 0.000 0.263 2301 P C -1.300 175.769 177.300 -0.384 0.000 1.247 2301 P CA 0.397 63.343 63.100 -0.258 0.000 0.876 2301 P CB -0.233 31.450 31.700 -0.029 0.000 0.928 2302 Y N 2.624 122.914 120.300 -0.016 0.000 2.409 2302 Y HA 0.454 5.004 4.550 -0.001 0.000 0.339 2302 Y C 1.287 177.250 175.900 0.106 0.000 1.033 2302 Y CA -0.970 57.181 58.100 0.085 0.000 1.094 2302 Y CB 2.304 40.805 38.460 0.068 0.000 1.210 2302 Y HN 0.132 nan 8.280 nan 0.000 0.456 2303 R N 2.289 123.010 120.500 0.368 0.000 2.275 2303 R HA 0.556 4.895 4.340 -0.001 0.000 0.326 2303 R C -1.480 175.003 176.300 0.305 0.000 0.973 2303 R CA -0.685 55.580 56.100 0.275 0.000 0.854 2303 R CB 1.706 32.107 30.300 0.168 0.000 1.156 2303 R HN 0.432 nan 8.270 nan 0.000 0.487 2304 V N 1.469 121.545 119.914 0.271 0.000 2.709 2304 V HA 0.900 5.019 4.120 -0.001 0.000 0.308 2304 V C -1.216 174.968 176.094 0.150 0.000 1.062 2304 V CA -0.498 61.927 62.300 0.209 0.000 0.901 2304 V CB 1.864 33.774 31.823 0.146 0.000 1.003 2304 V HN 0.830 nan 8.190 nan 0.000 0.425 2305 A N 4.072 126.920 122.820 0.047 0.000 2.401 2305 A HA 1.009 5.328 4.320 -0.001 0.000 0.310 2305 A C -0.111 177.429 177.584 -0.074 0.000 1.075 2305 A CA -0.215 51.761 52.037 -0.101 0.000 0.746 2305 A CB 1.996 20.819 19.000 -0.294 0.000 1.277 2305 A HN 1.874 nan 8.150 nan 0.000 0.425 2306 G N -0.204 108.551 108.800 -0.076 0.000 2.687 2306 G HA2 0.509 4.468 3.960 -0.001 0.000 0.301 2306 G HA3 0.509 4.468 3.960 -0.001 0.000 0.301 2306 G C -1.568 173.527 174.900 0.326 0.000 1.416 2306 G CA -0.336 44.852 45.100 0.146 0.000 1.005 2306 G HN 0.876 nan 8.290 nan 0.000 0.509 2307 Y N 3.481 124.079 120.300 0.496 0.000 2.341 2307 Y HA 0.516 5.065 4.550 -0.001 0.000 0.340 2307 Y C 1.044 177.147 175.900 0.338 0.000 0.997 2307 Y CA 0.341 58.752 58.100 0.517 0.000 1.149 2307 Y CB 1.243 40.046 38.460 0.572 0.000 1.171 2307 Y HN 1.041 nan 8.280 nan 0.000 0.494 2308 S N 4.292 119.951 115.700 -0.070 0.000 4.150 2308 S HA -0.437 4.033 4.470 -0.001 0.000 0.575 2308 S C 1.221 175.856 174.600 0.058 0.000 1.878 2308 S CA 1.922 60.090 58.200 -0.052 0.000 4.245 2308 S CB -1.842 61.117 63.200 -0.402 0.000 0.231 2308 S HN 0.998 nan 8.310 nan 0.000 0.469 2309 Y N 2.348 122.604 120.300 -0.073 0.000 2.207 2309 Y HA 0.045 4.594 4.550 -0.001 0.000 0.287 2309 Y C 2.407 178.287 175.900 -0.034 0.000 1.156 2309 Y CA 2.531 60.605 58.100 -0.044 0.000 1.182 2309 Y CB -1.047 37.408 38.460 -0.008 0.000 0.979 2309 Y HN 0.510 nan 8.280 nan 0.000 0.521 2310 G N -0.235 108.681 108.800 0.193 0.000 2.448 2310 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.219 2310 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.219 2310 G C 1.782 176.709 174.900 0.046 0.000 1.127 2310 G CA 0.806 45.964 45.100 0.096 0.000 0.766 2310 G HN 0.621 nan 8.290 nan 0.000 0.552 2311 A N 0.353 123.213 122.820 0.067 0.000 1.873 2311 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 2311 A C 2.654 180.233 177.584 -0.009 0.000 1.193 2311 A CA 2.021 54.091 52.037 0.054 0.000 0.629 2311 A CB -1.407 17.653 19.000 0.099 0.000 0.826 2311 A HN 0.641 nan 8.150 nan 0.000 0.447 2312 C N -0.934 118.298 119.300 -0.114 0.000 2.401 2312 C HA -0.089 4.371 4.460 -0.001 0.000 0.276 2312 C C 2.673 177.526 174.990 -0.227 0.000 1.233 2312 C CA 1.467 60.366 59.018 -0.198 0.000 1.753 2312 C CB -1.499 26.017 27.740 -0.374 0.000 2.029 2312 C HN 0.413 nan 8.230 nan 0.000 0.478 2313 V N 1.646 121.411 119.914 -0.249 0.000 2.307 2313 V HA -0.107 4.012 4.120 -0.001 0.000 0.245 2313 V C 3.013 179.062 176.094 -0.075 0.000 1.045 2313 V CA 2.180 64.366 62.300 -0.190 0.000 1.024 2313 V CB -1.418 30.371 31.823 -0.057 0.000 0.651 2313 V HN 0.705 nan 8.190 nan 0.000 0.449 2314 A N -0.350 122.460 122.820 -0.016 0.000 1.917 2314 A HA -0.288 4.031 4.320 -0.001 0.000 0.219 2314 A C 2.125 179.677 177.584 -0.052 0.000 1.182 2314 A CA 2.285 54.317 52.037 -0.010 0.000 0.633 2314 A CB -0.779 18.227 19.000 0.010 0.000 0.819 2314 A HN 0.546 nan 8.150 nan 0.000 0.448 2315 F N 0.830 120.672 119.950 -0.179 0.000 2.075 2315 F HA -0.184 4.342 4.527 -0.001 0.000 0.297 2315 F C 2.243 177.898 175.800 -0.241 0.000 1.113 2315 F CA 2.345 60.199 58.000 -0.244 0.000 1.218 2315 F CB -0.249 38.650 39.000 -0.169 0.000 0.984 2315 F HN 0.314 nan 8.300 nan 0.000 0.472 2316 E N 0.442 120.625 120.200 -0.029 0.000 2.160 2316 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 2316 E C 2.101 178.599 176.600 -0.168 0.000 0.991 2316 E CA 1.864 58.204 56.400 -0.099 0.000 0.810 2316 E CB -0.410 29.143 29.700 -0.244 0.000 0.742 2316 E HN 0.549 nan 8.360 nan 0.000 0.466 2317 M N -0.849 118.652 119.600 -0.165 0.000 2.064 2317 M HA -0.174 4.305 4.480 -0.001 0.000 0.260 2317 M C 2.431 178.637 176.300 -0.156 0.000 1.073 2317 M CA 1.590 56.809 55.300 -0.134 0.000 1.124 2317 M CB -0.397 32.141 32.600 -0.104 0.000 1.326 2317 M HN 0.226 nan 8.290 nan 0.000 0.410 2318 C N -0.520 118.641 119.300 -0.232 0.000 2.419 2318 C HA -0.099 4.360 4.460 -0.001 0.000 0.281 2318 C C 3.172 178.050 174.990 -0.186 0.000 1.336 2318 C CA 1.218 60.115 59.018 -0.201 0.000 1.770 2318 C CB -1.071 26.475 27.740 -0.323 0.000 1.929 2318 C HN 0.628 nan 8.230 nan 0.000 0.509 2319 S N 0.076 115.519 115.700 -0.428 0.000 2.383 2319 S HA -0.190 4.279 4.470 -0.001 0.000 0.227 2319 S C 1.931 176.524 174.600 -0.013 0.000 1.026 2319 S CA 1.476 59.512 58.200 -0.273 0.000 0.981 2319 S CB -0.196 62.739 63.200 -0.442 0.000 0.818 2319 S HN 0.733 nan 8.310 nan 0.000 0.472 2320 Q N 0.079 119.864 119.800 -0.025 0.000 2.137 2320 Q HA 0.133 4.472 4.340 -0.001 0.000 0.198 2320 Q C 2.224 178.251 176.000 0.045 0.000 0.960 2320 Q CA 0.990 56.810 55.803 0.028 0.000 0.847 2320 Q CB -0.190 28.558 28.738 0.016 0.000 0.915 2320 Q HN 0.493 nan 8.270 nan 0.000 0.448 2321 L N 0.688 121.934 121.223 0.037 0.000 2.131 2321 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 2321 L C 2.599 179.539 176.870 0.116 0.000 1.092 2321 L CA 1.139 56.026 54.840 0.078 0.000 0.759 2321 L CB -0.349 41.762 42.059 0.086 0.000 0.903 2321 L HN 0.360 nan 8.230 nan 0.000 0.435 2322 Q N 0.235 120.118 119.800 0.139 0.000 1.965 2322 Q HA -0.208 4.131 4.340 -0.001 0.000 0.200 2322 Q C 2.319 178.386 176.000 0.112 0.000 0.981 2322 Q CA 1.742 57.636 55.803 0.152 0.000 0.834 2322 Q CB -0.161 28.709 28.738 0.219 0.000 0.900 2322 Q HN 0.466 nan 8.270 nan 0.000 0.426 2323 A N 0.267 123.150 122.820 0.106 0.000 2.084 2323 A HA -0.178 4.141 4.320 -0.001 0.000 0.221 2323 A C 0.905 178.528 177.584 0.064 0.000 1.161 2323 A CA 1.128 53.214 52.037 0.081 0.000 0.653 2323 A CB -0.276 18.773 19.000 0.082 0.000 0.802 2323 A HN 0.516 nan 8.150 nan 0.000 0.457 2332 N N 1.121 119.701 118.700 -0.200 0.000 2.492 2332 N HA 0.328 5.067 4.740 -0.001 0.000 0.289 2332 N C -0.329 175.189 175.510 0.015 0.000 1.133 2332 N CA -0.407 52.581 53.050 -0.103 0.000 0.961 2332 N CB 1.954 40.422 38.487 -0.031 0.000 1.186 2332 N HN 0.124 nan 8.380 nan 0.000 0.493 2333 S N 1.088 116.818 115.700 0.049 0.000 2.499 2333 S HA 0.372 4.841 4.470 -0.001 0.000 0.279 2333 S C -0.256 174.344 174.600 -0.001 0.000 1.219 2333 S CA -0.582 57.622 58.200 0.006 0.000 1.062 2333 S CB 0.526 63.821 63.200 0.158 0.000 0.978 2333 S HN 0.378 nan 8.310 nan 0.000 0.489 2334 L N 4.459 125.570 121.223 -0.187 0.000 2.372 2334 L HA 0.642 4.981 4.340 -0.001 0.000 0.273 2334 L C -1.900 174.782 176.870 -0.314 0.000 0.989 2334 L CA -0.425 54.340 54.840 -0.125 0.000 0.841 2334 L CB 0.214 42.234 42.059 -0.065 0.000 1.225 2334 L HN 0.474 nan 8.230 nan 0.000 0.414 2335 F N 5.545 125.410 119.950 -0.140 0.000 2.458 2335 F HA 0.584 5.110 4.527 -0.000 0.000 0.336 2335 F C -0.283 175.259 175.800 -0.430 0.000 1.114 2335 F CA -0.664 57.173 58.000 -0.271 0.000 0.987 2335 F CB 1.569 40.346 39.000 -0.371 0.000 1.130 2335 F HN 0.208 nan 8.300 nan 0.000 0.458 2336 L N 4.638 125.776 121.223 -0.143 0.000 2.294 2336 L HA 0.425 4.764 4.340 -0.001 0.000 0.283 2336 L C -0.995 175.889 176.870 0.024 0.000 1.015 2336 L CA -0.476 54.314 54.840 -0.084 0.000 0.831 2336 L CB 0.855 42.949 42.059 0.058 0.000 1.217 2336 L HN 0.554 nan 8.230 nan 0.000 0.420 2337 F N 2.224 122.367 119.950 0.322 0.000 2.423 2337 F HA 0.100 4.626 4.527 -0.001 0.000 0.356 2337 F C 0.712 176.768 175.800 0.426 0.000 1.170 2337 F CA -0.505 57.709 58.000 0.356 0.000 1.163 2337 F CB 0.258 39.506 39.000 0.413 0.000 1.318 2337 F HN 0.579 nan 8.300 nan 0.000 0.569 2338 D N 2.548 123.267 120.400 0.530 0.000 2.803 2338 D HA -0.104 4.535 4.640 -0.001 0.000 0.233 2338 D C -0.029 176.612 176.300 0.567 0.000 1.182 2338 D CA 1.506 55.853 54.000 0.578 0.000 0.726 2338 D CB -0.660 40.476 40.800 0.560 0.000 0.987 2338 D HN 0.897 nan 8.370 nan 0.000 0.412 2339 G N -1.279 107.817 108.800 0.494 0.000 2.466 2339 G HA2 0.710 4.670 3.960 -0.001 0.000 0.291 2339 G HA3 0.710 4.670 3.960 -0.001 0.000 0.291 2339 G C -1.026 174.034 174.900 0.266 0.000 1.460 2339 G CA 0.223 45.526 45.100 0.339 0.000 0.791 2339 G HN 1.066 nan 8.290 nan 0.000 0.505 2340 S N -1.200 114.581 115.700 0.135 0.000 2.656 2340 S HA 0.651 5.121 4.470 -0.001 0.000 0.265 2340 S C -2.815 171.726 174.600 -0.098 0.000 1.132 2340 S CA -0.617 57.595 58.200 0.020 0.000 0.819 2340 S CB 1.542 64.789 63.200 0.079 0.000 1.119 2340 S HN 0.311 nan 8.310 nan 0.000 0.476 2341 P HA 0.069 nan 4.420 nan 0.000 0.223 2341 P C 0.891 178.125 177.300 -0.110 0.000 1.144 2341 P CA 1.337 64.309 63.100 -0.212 0.000 0.783 2341 P CB -0.140 31.251 31.700 -0.514 0.000 0.771 2342 T N -3.329 111.166 114.554 -0.098 0.000 3.042 2342 T HA 0.071 4.420 4.350 -0.001 0.000 0.245 2342 T C 0.535 175.205 174.700 -0.050 0.000 1.029 2342 T CA 0.431 62.495 62.100 -0.061 0.000 1.120 2342 T CB -0.322 68.530 68.868 -0.026 0.000 0.917 2342 T HN -0.055 nan 8.240 nan 0.000 0.467 2358 G N -0.443 108.374 108.800 0.028 0.000 2.192 2358 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.193 2358 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.193 2358 G C 0.556 175.469 174.900 0.021 0.000 0.999 2358 G CA 0.019 45.131 45.100 0.021 0.000 0.659 2358 G HN 0.418 nan 8.290 nan 0.000 0.503 2359 C N 0.575 119.892 119.300 0.029 0.000 2.976 2359 C HA 0.461 4.920 4.460 -0.001 0.000 0.274 2359 C C 1.957 176.971 174.990 0.040 0.000 1.487 2359 C CA 0.174 59.210 59.018 0.030 0.000 1.789 2359 C CB -0.056 27.703 27.740 0.032 0.000 2.771 2359 C HN 0.621 nan 8.230 nan 0.000 0.551 2360 E N 2.317 122.542 120.200 0.042 0.000 2.065 2360 E HA -0.260 4.089 4.350 -0.001 0.000 0.201 2360 E C 2.245 178.839 176.600 -0.010 0.000 1.016 2360 E CA 2.160 58.588 56.400 0.046 0.000 0.818 2360 E CB -0.045 29.673 29.700 0.030 0.000 0.749 2360 E HN 0.666 nan 8.360 nan 0.000 0.453 2361 A N 0.582 123.388 122.820 -0.023 0.000 1.873 2361 A HA -0.323 3.996 4.320 -0.001 0.000 0.218 2361 A C 2.167 179.732 177.584 -0.032 0.000 1.193 2361 A CA 2.055 54.065 52.037 -0.045 0.000 0.629 2361 A CB -0.727 18.256 19.000 -0.030 0.000 0.826 2361 A HN 0.413 nan 8.150 nan 0.000 0.447 2362 E N -0.363 119.838 120.200 0.001 0.000 2.072 2362 E HA -0.078 4.271 4.350 -0.001 0.000 0.191 2362 E C 2.160 178.788 176.600 0.045 0.000 0.985 2362 E CA 0.969 57.382 56.400 0.022 0.000 0.801 2362 E CB -0.273 29.446 29.700 0.032 0.000 0.750 2362 E HN 0.529 nan 8.360 nan 0.000 0.452 2363 A N 1.358 124.219 122.820 0.068 0.000 1.865 2363 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 2363 A C 1.961 179.637 177.584 0.154 0.000 1.191 2363 A CA 1.893 54.017 52.037 0.146 0.000 0.623 2363 A CB -0.663 18.473 19.000 0.228 0.000 0.826 2363 A HN 0.361 nan 8.150 nan 0.000 0.444 2364 E N -0.877 119.286 120.200 -0.063 0.000 2.058 2364 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 2364 E C 2.129 178.653 176.600 -0.127 0.000 0.997 2364 E CA 1.681 57.845 56.400 -0.393 0.000 0.801 2364 E CB -0.422 28.921 29.700 -0.597 0.000 0.746 2364 E HN 0.625 nan 8.360 nan 0.000 0.450 2365 T N 0.861 115.377 114.554 -0.064 0.000 2.708 2365 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 2365 T C 1.795 176.532 174.700 0.062 0.000 1.037 2365 T CA 1.484 63.574 62.100 -0.018 0.000 1.146 2365 T CB -0.171 68.683 68.868 -0.023 0.000 0.865 2365 T HN 0.059 nan 8.240 nan 0.000 0.435 2366 E N 1.139 121.405 120.200 0.110 0.000 2.047 2366 E HA 0.029 4.378 4.350 -0.001 0.000 0.191 2366 E C 2.305 179.076 176.600 0.285 0.000 0.987 2366 E CA 1.194 57.713 56.400 0.199 0.000 0.799 2366 E CB -0.611 29.196 29.700 0.179 0.000 0.752 2366 E HN 0.428 nan 8.360 nan 0.000 0.449 2367 A N 0.302 123.294 122.820 0.286 0.000 1.851 2367 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 2367 A C 2.183 180.087 177.584 0.534 0.000 1.195 2367 A CA 1.844 54.153 52.037 0.453 0.000 0.622 2367 A CB -0.812 18.451 19.000 0.437 0.000 0.831 2367 A HN 0.281 nan 8.150 nan 0.000 0.444 2368 I N -0.590 120.161 120.570 0.303 0.000 2.493 2368 I HA -0.197 3.972 4.170 -0.001 0.000 0.254 2368 I C 2.599 178.857 176.117 0.235 0.000 1.160 2368 I CA 0.841 62.277 61.300 0.226 0.000 1.445 2368 I CB -0.707 37.317 38.000 0.040 0.000 1.086 2368 I HN 0.579 nan 8.210 nan 0.000 0.433 2369 C N 0.049 119.471 119.300 0.204 0.000 2.432 2369 C HA -0.242 4.217 4.460 -0.001 0.000 0.277 2369 C C 2.876 177.999 174.990 0.221 0.000 1.249 2369 C CA 0.666 59.774 59.018 0.151 0.000 1.725 2369 C CB -1.235 26.560 27.740 0.092 0.000 2.028 2369 C HN 0.554 nan 8.230 nan 0.000 0.477 2370 F N 0.699 120.762 119.950 0.188 0.000 2.069 2370 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 2370 F C 1.954 177.776 175.800 0.037 0.000 1.113 2370 F CA 2.413 60.503 58.000 0.150 0.000 1.214 2370 F CB -0.968 38.168 39.000 0.227 0.000 0.978 2370 F HN 0.342 nan 8.300 nan 0.000 0.474 2371 F N 0.522 120.478 119.950 0.011 0.000 2.120 2371 F HA -0.259 4.267 4.527 -0.001 0.000 0.300 2371 F C 2.119 177.876 175.800 -0.072 0.000 1.095 2371 F CA 2.049 59.902 58.000 -0.245 0.000 1.249 2371 F CB -0.877 37.939 39.000 -0.307 0.000 0.995 2371 F HN -0.131 nan 8.300 nan 0.000 0.480 2372 V N 0.251 120.191 119.914 0.044 0.000 2.407 2372 V HA -0.340 3.779 4.120 -0.001 0.000 0.248 2372 V C 2.226 178.273 176.094 -0.078 0.000 1.055 2372 V CA 2.317 64.608 62.300 -0.015 0.000 1.049 2372 V CB -0.787 31.062 31.823 0.042 0.000 0.662 2372 V HN 0.430 nan 8.190 nan 0.000 0.455 2373 Q N -0.835 118.874 119.800 -0.153 0.000 2.291 2373 Q HA -0.177 4.162 4.340 -0.001 0.000 0.205 2373 Q C 2.267 178.095 176.000 -0.286 0.000 0.970 2373 Q CA 0.878 56.565 55.803 -0.194 0.000 0.876 2373 Q CB -0.089 28.520 28.738 -0.215 0.000 0.935 2373 Q HN 0.594 nan 8.270 nan 0.000 0.455 2374 Q N -0.859 118.694 119.800 -0.411 0.000 2.297 2374 Q HA -0.057 4.283 4.340 -0.001 0.000 0.204 2374 Q C 1.092 176.760 176.000 -0.553 0.000 0.962 2374 Q CA 1.083 56.571 55.803 -0.524 0.000 0.879 2374 Q CB 0.142 28.476 28.738 -0.672 0.000 0.947 2374 Q HN 0.416 nan 8.270 nan 0.000 0.462 2375 F N -0.089 119.653 119.950 -0.346 0.000 2.717 2375 F HA 0.114 4.640 4.527 -0.002 0.000 0.295 2375 F C 1.367 177.180 175.800 0.022 0.000 1.117 2375 F CA 0.323 58.213 58.000 -0.183 0.000 1.361 2375 F CB 0.247 39.124 39.000 -0.206 0.000 1.112 2375 F HN -0.083 nan 8.300 nan 0.000 0.594 2376 T N -4.031 110.583 114.554 0.099 0.000 2.645 2376 T HA 0.345 4.694 4.350 -0.001 0.000 0.273 2376 T C 0.131 174.823 174.700 -0.012 0.000 0.960 2376 T CA -0.339 61.791 62.100 0.051 0.000 1.051 2376 T CB 1.764 70.634 68.868 0.004 0.000 1.366 2376 T HN -0.116 nan 8.240 nan 0.000 0.536 2377 D N -1.176 119.210 120.400 -0.023 0.000 2.423 2377 D HA 0.254 4.894 4.640 -0.001 0.000 0.212 2377 D C 0.696 176.981 176.300 -0.024 0.000 1.060 2377 D CA -0.182 53.800 54.000 -0.029 0.000 0.872 2377 D CB -0.141 40.644 40.800 -0.024 0.000 1.012 2377 D HN 0.541 nan 8.370 nan 0.000 0.503 2378 M N 1.614 121.200 119.600 -0.024 0.000 2.150 2378 M HA -0.119 4.360 4.480 -0.001 0.000 0.365 2378 M C 0.182 176.481 176.300 -0.001 0.000 1.080 2378 M CA 0.837 56.127 55.300 -0.017 0.000 0.839 2378 M CB 0.350 32.937 32.600 -0.021 0.000 1.731 2378 M HN 0.063 nan 8.290 nan 0.000 0.486 2379 E N 1.659 121.863 120.200 0.008 0.000 2.354 2379 E HA -0.022 4.327 4.350 -0.001 0.000 0.269 2379 E C 0.564 177.200 176.600 0.060 0.000 1.036 2379 E CA -0.031 56.391 56.400 0.037 0.000 0.876 2379 E CB 0.637 30.356 29.700 0.032 0.000 1.009 2379 E HN 0.571 nan 8.360 nan 0.000 0.416 2380 H N 4.248 123.319 119.070 0.002 0.000 2.267 2380 H HA -0.209 4.346 4.556 -0.001 0.000 0.291 2380 H C 1.294 176.632 175.328 0.017 0.000 1.094 2380 H CA 2.669 58.727 56.048 0.016 0.000 1.227 2380 H CB 0.273 30.052 29.762 0.028 0.000 1.351 2380 H HN 0.431 nan 8.280 nan 0.000 0.483 2381 N N 0.235 118.969 118.700 0.056 0.000 2.094 2381 N HA -0.188 4.552 4.740 -0.001 0.000 0.191 2381 N C 2.180 177.659 175.510 -0.052 0.000 1.023 2381 N CA 1.490 54.535 53.050 -0.010 0.000 0.857 2381 N CB -0.454 38.059 38.487 0.043 0.000 1.013 2381 N HN 0.416 nan 8.380 nan 0.000 0.426 2382 R N 0.830 121.312 120.500 -0.031 0.000 2.075 2382 R HA -0.007 4.332 4.340 -0.001 0.000 0.232 2382 R C 2.055 178.322 176.300 -0.056 0.000 1.126 2382 R CA 0.858 56.938 56.100 -0.035 0.000 0.963 2382 R CB -0.099 30.189 30.300 -0.020 0.000 0.858 2382 R HN -0.022 nan 8.270 nan 0.000 0.435 2383 V N 1.117 120.988 119.914 -0.073 0.000 2.358 2383 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 2383 V C 2.297 178.322 176.094 -0.115 0.000 1.047 2383 V CA 1.267 63.519 62.300 -0.080 0.000 1.035 2383 V CB -0.544 31.239 31.823 -0.068 0.000 0.658 2383 V HN 0.389 nan 8.190 nan 0.000 0.452 2384 L N 0.272 121.372 121.223 -0.204 0.000 2.079 2384 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 2384 L C 2.616 179.420 176.870 -0.110 0.000 1.081 2384 L CA 2.041 56.751 54.840 -0.216 0.000 0.752 2384 L CB -1.013 40.837 42.059 -0.350 0.000 0.896 2384 L HN 0.391 nan 8.230 nan 0.000 0.433 2385 E N -0.268 119.881 120.200 -0.085 0.000 2.150 2385 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 2385 E C 2.082 178.655 176.600 -0.045 0.000 0.985 2385 E CA 1.225 57.594 56.400 -0.051 0.000 0.814 2385 E CB -0.010 29.667 29.700 -0.038 0.000 0.752 2385 E HN 0.554 nan 8.360 nan 0.000 0.466 2386 A N 0.329 123.120 122.820 -0.049 0.000 2.021 2386 A HA 0.020 4.340 4.320 -0.001 0.000 0.216 2386 A C 2.185 179.744 177.584 -0.042 0.000 1.163 2386 A CA 0.505 52.517 52.037 -0.040 0.000 0.676 2386 A CB -0.184 18.794 19.000 -0.038 0.000 0.818 2386 A HN 0.147 nan 8.150 nan 0.000 0.453 2387 L N -1.133 120.060 121.223 -0.050 0.000 2.354 2387 L HA 0.069 4.409 4.340 -0.001 0.000 0.212 2387 L C 2.254 179.093 176.870 -0.051 0.000 1.091 2387 L CA -0.008 54.801 54.840 -0.051 0.000 0.828 2387 L CB -0.293 41.736 42.059 -0.050 0.000 0.973 2387 L HN 0.319 nan 8.230 nan 0.000 0.461 2388 L N 2.059 123.253 121.223 -0.048 0.000 2.017 2388 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 2388 L C -0.292 176.557 176.870 -0.036 0.000 1.073 2388 L CA 2.227 57.043 54.840 -0.040 0.000 0.745 2388 L CB -1.591 40.447 42.059 -0.034 0.000 0.894 2388 L HN 0.149 nan 8.230 nan 0.000 0.432 2389 P HA -0.017 nan 4.420 nan 0.000 0.245 2389 P C 0.441 177.722 177.300 -0.031 0.000 1.212 2389 P CA 0.196 63.279 63.100 -0.028 0.000 0.774 2389 P CB -0.005 31.681 31.700 -0.024 0.000 0.999 2390 L N 0.462 121.662 121.223 -0.039 0.000 2.467 2390 L HA 0.111 4.451 4.340 -0.001 0.000 0.270 2390 L C 2.293 179.137 176.870 -0.043 0.000 1.205 2390 L CA -0.231 54.584 54.840 -0.041 0.000 0.828 2390 L CB 0.285 42.315 42.059 -0.050 0.000 1.101 2390 L HN -0.130 nan 8.230 nan 0.000 0.479 2391 K N 0.910 121.287 120.400 -0.039 0.000 2.009 2391 K HA -0.086 4.233 4.320 -0.001 0.000 0.210 2391 K C 0.664 177.236 176.600 -0.046 0.000 1.049 2391 K CA 1.467 57.732 56.287 -0.036 0.000 0.929 2391 K CB 0.104 32.587 32.500 -0.028 0.000 0.714 2391 K HN 0.895 nan 8.250 nan 0.000 0.440 2392 G N -1.045 107.719 108.800 -0.060 0.000 2.561 2392 G HA2 0.201 4.161 3.960 -0.001 0.000 0.310 2392 G HA3 0.201 4.161 3.960 -0.001 0.000 0.310 2392 G C -0.231 174.598 174.900 -0.119 0.000 1.292 2392 G CA -0.356 44.695 45.100 -0.083 0.000 0.811 2392 G HN 0.095 nan 8.290 nan 0.000 0.482 2393 L N 0.168 121.296 121.223 -0.158 0.000 1.978 2393 L HA -0.033 4.307 4.340 -0.001 0.000 0.218 2393 L C 2.589 179.369 176.870 -0.151 0.000 1.075 2393 L CA 2.892 57.600 54.840 -0.221 0.000 0.767 2393 L CB -0.656 41.246 42.059 -0.261 0.000 0.890 2393 L HN 0.647 nan 8.230 nan 0.000 0.434 2394 E N -0.381 119.765 120.200 -0.090 0.000 2.171 2394 E HA -0.229 4.121 4.350 -0.001 0.000 0.197 2394 E C 2.097 178.660 176.600 -0.062 0.000 0.997 2394 E CA 1.346 57.709 56.400 -0.062 0.000 0.810 2394 E CB -0.070 29.614 29.700 -0.027 0.000 0.738 2394 E HN 0.557 nan 8.360 nan 0.000 0.467 2395 E N -0.562 119.600 120.200 -0.063 0.000 2.107 2395 E HA -0.043 4.306 4.350 -0.001 0.000 0.191 2395 E C 2.065 178.626 176.600 -0.065 0.000 0.982 2395 E CA 0.796 57.163 56.400 -0.055 0.000 0.809 2395 E CB -0.030 29.641 29.700 -0.049 0.000 0.756 2395 E HN 0.112 nan 8.360 nan 0.000 0.459 2396 R N -0.093 120.355 120.500 -0.088 0.000 2.066 2396 R HA -0.068 4.271 4.340 -0.001 0.000 0.232 2396 R C 2.274 178.520 176.300 -0.091 0.000 1.131 2396 R CA 1.136 57.181 56.100 -0.093 0.000 0.955 2396 R CB -0.483 29.740 30.300 -0.129 0.000 0.851 2396 R HN 0.041 nan 8.270 nan 0.000 0.432 2397 V N 0.914 120.759 119.914 -0.115 0.000 2.255 2397 V HA -0.280 3.840 4.120 -0.001 0.000 0.247 2397 V C 2.392 178.438 176.094 -0.080 0.000 1.051 2397 V CA 2.074 64.301 62.300 -0.123 0.000 1.018 2397 V CB -0.789 30.949 31.823 -0.141 0.000 0.641 2397 V HN 0.461 nan 8.190 nan 0.000 0.445 2398 A N -0.069 122.714 122.820 -0.061 0.000 1.908 2398 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 2398 A C 2.408 179.971 177.584 -0.035 0.000 1.181 2398 A CA 2.352 54.364 52.037 -0.041 0.000 0.627 2398 A CB -0.859 18.121 19.000 -0.033 0.000 0.818 2398 A HN 0.605 nan 8.150 nan 0.000 0.445 2399 A N -0.393 122.404 122.820 -0.038 0.000 1.930 2399 A HA 0.207 4.526 4.320 -0.001 0.000 0.217 2399 A C 2.484 180.052 177.584 -0.026 0.000 1.175 2399 A CA 1.989 54.007 52.037 -0.032 0.000 0.627 2399 A CB -0.920 18.059 19.000 -0.035 0.000 0.815 2399 A HN 1.019 nan 8.150 nan 0.000 0.443 2400 A N -0.467 122.337 122.820 -0.025 0.000 1.873 2400 A HA 0.011 4.330 4.320 -0.001 0.000 0.215 2400 A C 2.204 179.784 177.584 -0.006 0.000 1.186 2400 A CA 1.691 53.728 52.037 -0.002 0.000 0.616 2400 A CB -1.043 17.971 19.000 0.023 0.000 0.823 2400 A HN 0.388 nan 8.150 nan 0.000 0.442 2401 V N 0.874 120.775 119.914 -0.021 0.000 2.324 2401 V HA -0.307 3.812 4.120 -0.001 0.000 0.250 2401 V C 2.241 178.321 176.094 -0.022 0.000 1.060 2401 V CA 2.426 64.710 62.300 -0.026 0.000 1.042 2401 V CB -0.833 30.973 31.823 -0.029 0.000 0.650 2401 V HN 0.523 nan 8.190 nan 0.000 0.450 2402 D N -0.111 120.276 120.400 -0.021 0.000 2.084 2402 D HA -0.133 4.506 4.640 -0.001 0.000 0.194 2402 D C 2.202 178.488 176.300 -0.023 0.000 0.990 2402 D CA 1.291 55.279 54.000 -0.020 0.000 0.826 2402 D CB -0.231 40.557 40.800 -0.020 0.000 0.971 2402 D HN 0.343 nan 8.370 nan 0.000 0.453 2403 L N 0.700 121.909 121.223 -0.024 0.000 2.043 2403 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 2403 L C 2.586 179.436 176.870 -0.033 0.000 1.075 2403 L CA 0.808 55.631 54.840 -0.028 0.000 0.752 2403 L CB -0.295 41.750 42.059 -0.023 0.000 0.891 2403 L HN 0.051 nan 8.230 nan 0.000 0.432 2404 I N -0.616 119.939 120.570 -0.025 0.000 2.202 2404 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 2404 I C 2.369 178.487 176.117 0.002 0.000 1.091 2404 I CA 0.996 62.292 61.300 -0.007 0.000 1.368 2404 I CB -0.254 37.706 38.000 -0.067 0.000 1.058 2404 I HN 0.170 nan 8.210 nan 0.000 0.410 2405 I N 1.163 121.732 120.570 -0.002 0.000 2.264 2405 I HA -0.257 3.913 4.170 -0.001 0.000 0.248 2405 I C 1.936 178.037 176.117 -0.027 0.000 1.111 2405 I CA 1.627 62.932 61.300 0.009 0.000 1.382 2405 I CB -1.144 36.860 38.000 0.006 0.000 1.060 2405 I HN 0.264 nan 8.210 nan 0.000 0.418 2406 K N 0.302 120.673 120.400 -0.048 0.000 2.643 2406 K HA -0.005 4.314 4.320 -0.001 0.000 0.193 2406 K C 1.468 177.996 176.600 -0.120 0.000 1.027 2406 K CA 0.362 56.610 56.287 -0.064 0.000 1.033 2406 K CB 0.045 32.513 32.500 -0.052 0.000 0.827 2406 K HN 0.159 nan 8.250 nan 0.000 0.500 2407 S N -1.007 114.572 115.700 -0.202 0.000 2.653 2407 S HA 0.106 4.576 4.470 -0.001 0.000 0.259 2407 S C -0.327 173.865 174.600 -0.680 0.000 1.076 2407 S CA -0.403 57.529 58.200 -0.447 0.000 1.051 2407 S CB 0.598 63.456 63.200 -0.569 0.000 0.994 2407 S HN 0.280 nan 8.310 nan 0.000 0.552 2408 H N 1.538 120.617 119.070 0.016 0.000 2.596 2408 H HA 0.318 4.873 4.556 -0.001 0.000 0.240 2408 H C 0.096 175.436 175.328 0.020 0.000 1.406 2408 H CA -0.504 55.558 56.048 0.024 0.000 1.504 2408 H CB 0.416 30.207 29.762 0.048 0.000 1.688 2408 H HN 0.089 nan 8.280 nan 0.000 0.546 2409 Q N 1.054 120.903 119.800 0.082 0.000 2.248 2409 Q HA -0.076 4.263 4.340 -0.001 0.000 0.208 2409 Q C 1.938 177.975 176.000 0.062 0.000 0.984 2409 Q CA 1.402 57.237 55.803 0.053 0.000 0.875 2409 Q CB -0.059 28.697 28.738 0.029 0.000 0.910 2409 Q HN 0.737 nan 8.270 nan 0.000 0.433 2410 G N -0.154 108.693 108.800 0.077 0.000 2.744 2410 G HA2 0.070 4.030 3.960 -0.001 0.000 0.211 2410 G HA3 0.070 4.030 3.960 -0.001 0.000 0.211 2410 G C 0.625 175.563 174.900 0.064 0.000 1.143 2410 G CA -0.263 44.874 45.100 0.061 0.000 0.788 2410 G HN 0.153 nan 8.290 nan 0.000 0.534 2411 L N 1.308 122.582 121.223 0.085 0.000 2.455 2411 L HA 0.137 4.476 4.340 -0.001 0.000 0.272 2411 L C 0.089 176.995 176.870 0.060 0.000 1.174 2411 L CA -0.664 54.224 54.840 0.080 0.000 0.869 2411 L CB 0.783 42.904 42.059 0.104 0.000 1.130 2411 L HN 0.032 nan 8.230 nan 0.000 0.474 2412 D N 2.478 122.913 120.400 0.058 0.000 2.401 2412 D HA 0.007 4.646 4.640 -0.001 0.000 0.254 2412 D C 1.229 177.556 176.300 0.045 0.000 1.192 2412 D CA 0.168 54.197 54.000 0.049 0.000 0.885 2412 D CB 0.789 41.620 40.800 0.051 0.000 1.147 2412 D HN 0.338 nan 8.370 nan 0.000 0.478 2413 R N 2.321 122.841 120.500 0.034 0.000 2.120 2413 R HA -0.131 4.209 4.340 -0.001 0.000 0.234 2413 R C 1.695 178.016 176.300 0.035 0.000 1.123 2413 R CA 0.893 57.009 56.100 0.026 0.000 0.975 2413 R CB 0.017 30.327 30.300 0.018 0.000 0.866 2413 R HN 0.580 nan 8.270 nan 0.000 0.446 2414 Q N 0.602 120.428 119.800 0.042 0.000 2.167 2414 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 2414 Q C 1.697 177.754 176.000 0.095 0.000 0.970 2414 Q CA 1.357 57.193 55.803 0.056 0.000 0.855 2414 Q CB 0.096 28.857 28.738 0.038 0.000 0.911 2414 Q HN 0.515 nan 8.270 nan 0.000 0.438 2415 E N 0.234 120.492 120.200 0.097 0.000 2.046 2415 E HA -0.055 4.294 4.350 -0.001 0.000 0.190 2415 E C 2.226 178.922 176.600 0.161 0.000 0.982 2415 E CA 0.379 56.869 56.400 0.151 0.000 0.800 2415 E CB -0.016 29.761 29.700 0.129 0.000 0.756 2415 E HN 0.221 nan 8.360 nan 0.000 0.449 2416 L N 0.789 122.063 121.223 0.085 0.000 2.013 2416 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 2416 L C 2.731 179.588 176.870 -0.022 0.000 1.073 2416 L CA 1.088 55.945 54.840 0.028 0.000 0.753 2416 L CB -0.487 41.550 42.059 -0.037 0.000 0.890 2416 L HN 0.155 nan 8.230 nan 0.000 0.432 2417 S N -0.500 115.204 115.700 0.006 0.000 2.382 2417 S HA -0.228 4.242 4.470 -0.001 0.000 0.228 2417 S C 1.900 176.497 174.600 -0.005 0.000 1.027 2417 S CA 1.354 59.544 58.200 -0.016 0.000 0.991 2417 S CB -0.291 62.924 63.200 0.026 0.000 0.823 2417 S HN 0.417 nan 8.310 nan 0.000 0.469 2418 F N 2.069 121.992 119.950 -0.045 0.000 2.187 2418 F HA 0.227 4.754 4.527 -0.001 0.000 0.295 2418 F C 2.237 178.008 175.800 -0.049 0.000 1.091 2418 F CA 0.938 58.924 58.000 -0.023 0.000 1.308 2418 F CB -1.013 37.994 39.000 0.012 0.000 1.030 2418 F HN 0.236 nan 8.300 nan 0.000 0.487 2419 A N 0.882 123.610 122.820 -0.154 0.000 1.865 2419 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 2419 A C 2.467 179.699 177.584 -0.586 0.000 1.191 2419 A CA 2.271 54.181 52.037 -0.212 0.000 0.623 2419 A CB -1.684 17.419 19.000 0.173 0.000 0.826 2419 A HN 0.521 nan 8.150 nan 0.000 0.444 2420 A N -0.533 121.693 122.820 -0.990 0.000 1.883 2420 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 2420 A C 2.286 179.512 177.584 -0.597 0.000 1.186 2420 A CA 1.985 53.196 52.037 -1.376 0.000 0.624 2420 A CB -0.524 17.853 19.000 -1.038 0.000 0.822 2420 A HN 0.587 nan 8.150 nan 0.000 0.444 2421 R N 0.163 120.399 120.500 -0.441 0.000 2.066 2421 R HA -0.131 4.208 4.340 -0.001 0.000 0.232 2421 R C 2.492 178.582 176.300 -0.351 0.000 1.131 2421 R CA 2.065 57.956 56.100 -0.349 0.000 0.955 2421 R CB -0.336 29.837 30.300 -0.211 0.000 0.851 2421 R HN 0.640 nan 8.270 nan 0.000 0.432 2422 S N -0.288 115.172 115.700 -0.401 0.000 2.423 2422 S HA -0.159 4.310 4.470 -0.001 0.000 0.231 2422 S C 1.840 176.338 174.600 -0.169 0.000 1.014 2422 S CA 0.816 58.849 58.200 -0.277 0.000 0.965 2422 S CB -0.602 62.216 63.200 -0.638 0.000 0.785 2422 S HN 0.474 nan 8.310 nan 0.000 0.495 2423 F N 1.691 121.455 119.950 -0.311 0.000 2.095 2423 F HA -0.134 4.392 4.527 -0.001 0.000 0.298 2423 F C 2.299 178.021 175.800 -0.130 0.000 1.104 2423 F CA 1.718 59.610 58.000 -0.180 0.000 1.232 2423 F CB -0.595 38.327 39.000 -0.130 0.000 0.987 2423 F HN 0.278 nan 8.300 nan 0.000 0.475 2424 Y N -0.160 119.972 120.300 -0.281 0.000 2.181 2424 Y HA -0.280 4.269 4.550 -0.001 0.000 0.288 2424 Y C 2.015 177.734 175.900 -0.303 0.000 1.146 2424 Y CA 1.858 59.751 58.100 -0.345 0.000 1.164 2424 Y CB -1.164 37.083 38.460 -0.355 0.000 0.982 2424 Y HN 0.246 nan 8.280 nan 0.000 0.515 2425 Y N 0.275 120.379 120.300 -0.326 0.000 2.293 2425 Y HA -0.196 4.353 4.550 -0.001 0.000 0.291 2425 Y C 2.396 178.105 175.900 -0.318 0.000 1.137 2425 Y CA 1.165 59.057 58.100 -0.348 0.000 1.202 2425 Y CB -0.101 38.272 38.460 -0.145 0.000 0.990 2425 Y HN 0.059 nan 8.280 nan 0.000 0.537 2426 K N 0.217 120.516 120.400 -0.169 0.000 2.057 2426 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 2426 K C 1.927 178.454 176.600 -0.120 0.000 1.050 2426 K CA 1.093 57.292 56.287 -0.147 0.000 0.935 2426 K CB -0.235 32.041 32.500 -0.373 0.000 0.715 2426 K HN 0.275 nan 8.250 nan 0.000 0.439 2427 L N 0.626 121.623 121.223 -0.375 0.000 1.994 2427 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 2427 L C 2.766 179.492 176.870 -0.241 0.000 1.071 2427 L CA 1.360 56.002 54.840 -0.331 0.000 0.745 2427 L CB -0.393 41.368 42.059 -0.496 0.000 0.892 2427 L HN 0.215 nan 8.230 nan 0.000 0.431 2428 R N 0.132 120.416 120.500 -0.359 0.000 2.097 2428 R HA -0.241 4.098 4.340 -0.001 0.000 0.236 2428 R C 2.304 178.531 176.300 -0.120 0.000 1.135 2428 R CA 1.897 57.834 56.100 -0.271 0.000 0.934 2428 R CB -0.415 29.652 30.300 -0.389 0.000 0.846 2428 R HN 0.365 nan 8.270 nan 0.000 0.431 2429 A N 0.402 123.173 122.820 -0.081 0.000 1.948 2429 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 2429 A C 2.335 179.908 177.584 -0.018 0.000 1.177 2429 A CA 2.031 54.055 52.037 -0.021 0.000 0.636 2429 A CB -0.820 18.177 19.000 -0.005 0.000 0.815 2429 A HN 0.625 nan 8.150 nan 0.000 0.449 2430 A N -0.553 122.248 122.820 -0.031 0.000 1.854 2430 A HA -0.060 4.259 4.320 -0.001 0.000 0.214 2430 A C 1.682 179.238 177.584 -0.046 0.000 1.192 2430 A CA 1.208 53.189 52.037 -0.094 0.000 0.611 2430 A CB -0.377 18.556 19.000 -0.111 0.000 0.832 2430 A HN 0.457 nan 8.150 nan 0.000 0.442 2431 E N -0.460 119.703 120.200 -0.063 0.000 2.461 2431 E HA -0.095 4.254 4.350 -0.001 0.000 0.196 2431 E C 1.047 177.628 176.600 -0.032 0.000 1.129 2431 E CA 0.544 56.907 56.400 -0.063 0.000 0.902 2431 E CB 0.034 29.682 29.700 -0.087 0.000 0.963 2431 E HN 0.825 nan 8.360 nan 0.000 0.503 2432 Q N -0.587 119.217 119.800 0.006 0.000 2.081 2432 Q HA 0.016 4.355 4.340 -0.001 0.000 0.220 2432 Q C -0.544 175.510 176.000 0.089 0.000 0.775 2432 Q CA -0.254 55.565 55.803 0.028 0.000 0.983 2432 Q CB 0.606 29.358 28.738 0.022 0.000 1.188 2432 Q HN 0.129 nan 8.270 nan 0.000 0.458 2433 Y N 1.520 121.788 120.300 -0.054 0.000 2.301 2433 Y HA 0.480 5.030 4.550 -0.001 0.000 0.325 2433 Y C -0.811 175.065 175.900 -0.041 0.000 1.203 2433 Y CA 0.460 58.529 58.100 -0.051 0.000 1.255 2433 Y CB 1.346 39.712 38.460 -0.156 0.000 1.232 2433 Y HN 0.036 nan 8.280 nan 0.000 0.501 2434 T N 4.493 118.548 114.554 -0.831 0.000 3.483 2434 T HA 0.357 4.706 4.350 -0.001 0.000 0.329 2434 T C -3.036 171.217 174.700 -0.745 0.000 1.014 2434 T CA -1.727 59.978 62.100 -0.659 0.000 1.056 2434 T CB 1.108 69.822 68.868 -0.256 0.000 1.090 2434 T HN 0.385 nan 8.240 nan 0.000 0.460 2435 P HA 0.117 nan 4.420 nan 0.000 0.263 2435 P C 0.598 177.881 177.300 -0.028 0.000 1.168 2435 P CA -0.119 62.866 63.100 -0.192 0.000 0.759 2435 P CB 0.652 32.413 31.700 0.102 0.000 0.782 2436 K N 2.475 122.937 120.400 0.103 0.000 1.984 2436 K HA 0.075 4.394 4.320 -0.001 0.000 0.209 2436 K C 0.991 177.638 176.600 0.079 0.000 1.046 2436 K CA 1.601 57.942 56.287 0.090 0.000 0.934 2436 K CB -0.396 32.177 32.500 0.123 0.000 0.717 2436 K HN 0.610 nan 8.250 nan 0.000 0.438 2437 A N -0.290 122.598 122.820 0.114 0.000 2.443 2437 A HA 0.594 4.913 4.320 -0.001 0.000 0.278 2437 A C -1.057 176.603 177.584 0.126 0.000 1.252 2437 A CA -0.718 51.390 52.037 0.118 0.000 0.816 2437 A CB 0.848 19.935 19.000 0.146 0.000 1.369 2437 A HN -0.092 nan 8.150 nan 0.000 0.446 2438 K N 0.338 120.785 120.400 0.078 0.000 2.249 2438 K HA 0.270 4.589 4.320 -0.001 0.000 0.280 2438 K C -1.457 175.063 176.600 -0.132 0.000 1.033 2438 K CA 0.013 56.261 56.287 -0.064 0.000 0.946 2438 K CB 0.706 33.041 32.500 -0.276 0.000 1.005 2438 K HN 0.584 nan 8.250 nan 0.000 0.469 2439 Y N 2.234 122.421 120.300 -0.189 0.000 2.350 2439 Y HA 0.059 4.608 4.550 -0.001 0.000 0.340 2439 Y C 0.141 175.869 175.900 -0.286 0.000 1.006 2439 Y CA -0.267 57.733 58.100 -0.168 0.000 1.166 2439 Y CB 0.368 38.759 38.460 -0.115 0.000 1.168 2439 Y HN 0.514 nan 8.280 nan 0.000 0.502 2440 Y N 3.054 123.105 120.300 -0.415 0.000 2.457 2440 Y HA 0.299 4.848 4.550 -0.001 0.000 0.263 2440 Y C 1.420 177.044 175.900 -0.459 0.000 1.164 2440 Y CA 0.051 57.966 58.100 -0.309 0.000 1.274 2440 Y CB 0.037 38.382 38.460 -0.191 0.000 1.097 2440 Y HN 0.693 nan 8.280 nan 0.000 0.523 2441 G N 0.062 108.296 108.800 -0.943 0.000 2.580 2441 G HA2 0.136 4.096 3.960 -0.001 0.000 0.278 2441 G HA3 0.136 4.096 3.960 -0.001 0.000 0.278 2441 G C -0.411 174.385 174.900 -0.173 0.000 1.212 2441 G CA -0.740 43.976 45.100 -0.641 0.000 0.939 2441 G HN 0.051 nan 8.290 nan 0.000 0.513 2442 N N 0.020 118.709 118.700 -0.019 0.000 2.434 2442 N HA 0.349 5.088 4.740 -0.001 0.000 0.272 2442 N C 0.096 175.638 175.510 0.053 0.000 1.040 2442 N CA -0.250 52.813 53.050 0.022 0.000 0.956 2442 N CB 1.797 40.275 38.487 -0.015 0.000 1.108 2442 N HN 0.458 nan 8.380 nan 0.000 0.481 2443 V N 0.233 120.187 119.914 0.066 0.000 2.667 2443 V HA 0.679 4.798 4.120 -0.001 0.000 0.308 2443 V C -0.166 175.902 176.094 -0.044 0.000 1.048 2443 V CA -0.997 61.321 62.300 0.029 0.000 0.928 2443 V CB 2.134 34.044 31.823 0.144 0.000 1.004 2443 V HN 0.624 nan 8.190 nan 0.000 0.444 2444 M N 5.535 125.062 119.600 -0.121 0.000 2.093 2444 M HA 0.516 4.995 4.480 -0.001 0.000 0.297 2444 M C -1.779 174.533 176.300 0.020 0.000 0.938 2444 M CA -0.632 54.634 55.300 -0.057 0.000 0.920 2444 M CB 1.561 34.063 32.600 -0.165 0.000 1.517 2444 M HN 0.916 nan 8.290 nan 0.000 0.427 2445 L N 6.393 127.657 121.223 0.068 0.000 2.259 2445 L HA 0.406 4.746 4.340 -0.001 0.000 0.288 2445 L C -1.606 175.336 176.870 0.119 0.000 1.051 2445 L CA -0.743 54.137 54.840 0.066 0.000 0.824 2445 L CB 0.693 42.742 42.059 -0.017 0.000 1.206 2445 L HN 0.763 nan 8.230 nan 0.000 0.429 2446 L N 6.155 127.497 121.223 0.198 0.000 2.302 2446 L HA 0.371 4.711 4.340 -0.001 0.000 0.285 2446 L C 0.400 177.393 176.870 0.205 0.000 1.090 2446 L CA 0.317 55.302 54.840 0.243 0.000 0.866 2446 L CB 0.651 42.936 42.059 0.375 0.000 1.244 2446 L HN 0.549 nan 8.230 nan 0.000 0.435 2447 R N 2.259 122.805 120.500 0.077 0.000 2.459 2447 R HA 0.728 5.067 4.340 -0.001 0.000 0.281 2447 R C 0.028 176.383 176.300 0.091 0.000 1.050 2447 R CA -0.443 55.663 56.100 0.010 0.000 1.055 2447 R CB 0.935 31.072 30.300 -0.273 0.000 1.045 2447 R HN 0.640 nan 8.270 nan 0.000 0.495 2448 A N 3.021 125.937 122.820 0.160 0.000 2.386 2448 A HA 0.096 4.415 4.320 -0.001 0.000 0.248 2448 A C 0.704 178.348 177.584 0.099 0.000 1.082 2448 A CA -0.179 51.948 52.037 0.151 0.000 0.789 2448 A CB 0.632 19.762 19.000 0.217 0.000 1.025 2448 A HN 1.010 nan 8.150 nan 0.000 0.490 2449 K N 0.177 120.625 120.400 0.080 0.000 2.098 2449 K HA -0.006 4.313 4.320 -0.001 0.000 0.203 2449 K C 0.038 176.676 176.600 0.063 0.000 1.051 2449 K CA 1.335 57.657 56.287 0.057 0.000 0.957 2449 K CB 0.021 32.549 32.500 0.046 0.000 0.738 2449 K HN 0.748 nan 8.250 nan 0.000 0.447 2450 T N 0.725 115.324 114.554 0.075 0.000 2.806 2450 T HA 0.428 4.777 4.350 -0.001 0.000 0.290 2450 T C 0.116 174.874 174.700 0.098 0.000 0.966 2450 T CA -0.784 61.361 62.100 0.075 0.000 1.060 2450 T CB 1.678 70.586 68.868 0.068 0.000 0.927 2450 T HN 0.308 nan 8.240 nan 0.000 0.485 2459 G N 0.509 109.362 108.800 0.087 0.000 2.607 2459 G HA2 0.509 4.468 3.960 -0.001 0.000 0.332 2459 G HA3 0.509 4.468 3.960 -0.001 0.000 0.332 2459 G C 1.019 175.917 174.900 -0.004 0.000 1.046 2459 G CA 0.459 45.586 45.100 0.044 0.000 1.099 2459 G HN 0.356 nan 8.290 nan 0.000 0.451 2460 A N 2.211 125.003 122.820 -0.048 0.000 2.744 2460 A HA -0.231 4.088 4.320 -0.001 0.000 0.300 2460 A C 1.143 178.612 177.584 -0.192 0.000 1.512 2460 A CA 2.037 53.977 52.037 -0.162 0.000 0.851 2460 A CB -1.276 17.667 19.000 -0.095 0.000 0.987 2460 A HN 0.819 nan 8.150 nan 0.000 0.507 2461 D N -3.341 116.959 120.400 -0.167 0.000 2.153 2461 D HA 0.099 4.738 4.640 -0.001 0.000 0.388 2461 D C 0.462 176.762 176.300 0.001 0.000 1.014 2461 D CA 0.623 54.563 54.000 -0.100 0.000 0.906 2461 D CB -0.042 40.740 40.800 -0.030 0.000 1.552 2461 D HN 0.624 nan 8.370 nan 0.000 0.522 2462 Y N 1.536 121.799 120.300 -0.062 0.000 3.491 2462 Y HA -0.377 4.172 4.550 -0.001 0.000 0.215 2462 Y C 0.776 176.652 175.900 -0.041 0.000 1.219 2462 Y CA 0.525 58.586 58.100 -0.065 0.000 1.485 2462 Y CB -2.039 36.367 38.460 -0.089 0.000 1.450 2462 Y HN 0.315 nan 8.280 nan 0.000 0.603 2463 N N -0.599 118.166 118.700 0.109 0.000 2.753 2463 N HA -0.279 4.460 4.740 -0.001 0.000 0.251 2463 N C 1.028 176.534 175.510 -0.007 0.000 1.097 2463 N CA 0.473 53.544 53.050 0.034 0.000 0.786 2463 N CB -0.878 37.618 38.487 0.016 0.000 1.137 2463 N HN 0.566 nan 8.380 nan 0.000 0.566 2464 L N 0.517 121.742 121.223 0.003 0.000 2.043 2464 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 2464 L C 2.502 179.365 176.870 -0.011 0.000 1.075 2464 L CA 2.214 57.039 54.840 -0.025 0.000 0.752 2464 L CB -0.538 41.523 42.059 0.004 0.000 0.891 2464 L HN 0.461 nan 8.230 nan 0.000 0.432 2465 S N -0.986 114.712 115.700 -0.003 0.000 2.399 2465 S HA -0.294 4.176 4.470 -0.001 0.000 0.231 2465 S C 1.848 176.443 174.600 -0.010 0.000 1.022 2465 S CA 1.293 59.492 58.200 -0.002 0.000 0.983 2465 S CB -0.396 62.802 63.200 -0.003 0.000 0.803 2465 S HN 0.403 nan 8.310 nan 0.000 0.480 2466 Q N 1.622 121.410 119.800 -0.019 0.000 2.234 2466 Q HA -0.079 4.261 4.340 -0.001 0.000 0.206 2466 Q C 1.783 177.767 176.000 -0.026 0.000 0.980 2466 Q CA 1.977 57.764 55.803 -0.025 0.000 0.869 2466 Q CB -0.330 28.387 28.738 -0.035 0.000 0.912 2466 Q HN 0.748 nan 8.270 nan 0.000 0.436 2467 V N -4.699 115.202 119.914 -0.022 0.000 3.432 2467 V HA 0.426 4.545 4.120 -0.001 0.000 0.298 2467 V C 0.382 176.540 176.094 0.107 0.000 1.464 2467 V CA -0.510 61.807 62.300 0.028 0.000 1.046 2467 V CB -0.131 31.687 31.823 -0.009 0.000 0.887 2467 V HN 0.185 nan 8.190 nan 0.000 0.441 2468 C N 1.092 120.433 119.300 0.069 0.000 2.454 2468 C HA 0.668 5.127 4.460 -0.001 0.000 0.336 2468 C C 0.873 175.828 174.990 -0.058 0.000 1.189 2468 C CA -0.181 58.879 59.018 0.070 0.000 1.877 2468 C CB 1.836 29.665 27.740 0.148 0.000 2.348 2468 C HN 0.503 nan 8.230 nan 0.000 0.508 2469 D N 0.269 120.574 120.400 -0.159 0.000 2.626 2469 D HA 0.133 4.772 4.640 -0.001 0.000 0.274 2469 D C 1.245 177.521 176.300 -0.041 0.000 1.045 2469 D CA 0.480 54.395 54.000 -0.142 0.000 0.925 2469 D CB -0.067 40.550 40.800 -0.305 0.000 1.260 2469 D HN 0.733 nan 8.370 nan 0.000 0.490 2470 G N 1.051 109.824 108.800 -0.045 0.000 2.529 2470 G HA2 0.067 4.027 3.960 -0.001 0.000 0.277 2470 G HA3 0.067 4.027 3.960 -0.001 0.000 0.277 2470 G C 0.045 174.952 174.900 0.011 0.000 1.383 2470 G CA -0.388 44.711 45.100 -0.001 0.000 1.050 2470 G HN -0.026 nan 8.290 nan 0.000 0.526 2471 K N -0.823 119.584 120.400 0.013 0.000 2.447 2471 K HA 0.284 4.603 4.320 -0.001 0.000 0.281 2471 K C -0.793 175.821 176.600 0.025 0.000 1.031 2471 K CA 0.024 56.321 56.287 0.016 0.000 1.019 2471 K CB 1.178 33.685 32.500 0.013 0.000 0.918 2471 K HN 0.053 nan 8.250 nan 0.000 0.476 2472 V N 3.151 123.078 119.914 0.022 0.000 2.376 2472 V HA 0.143 4.262 4.120 -0.001 0.000 0.287 2472 V C -0.534 175.570 176.094 0.016 0.000 1.015 2472 V CA -0.681 61.635 62.300 0.027 0.000 0.834 2472 V CB 1.371 33.208 31.823 0.024 0.000 1.001 2472 V HN 0.879 nan 8.190 nan 0.000 0.428 2473 S N 4.380 120.099 115.700 0.033 0.000 2.530 2473 S HA 0.733 5.203 4.470 -0.001 0.000 0.322 2473 S C -0.684 173.966 174.600 0.084 0.000 1.085 2473 S CA -0.703 57.520 58.200 0.039 0.000 1.096 2473 S CB 1.623 64.878 63.200 0.091 0.000 0.988 2473 S HN 0.968 nan 8.310 nan 0.000 0.466 2474 V N 2.766 122.684 119.914 0.007 0.000 2.435 2474 V HA 0.688 4.808 4.120 -0.001 0.000 0.290 2474 V C -1.471 174.624 176.094 0.003 0.000 1.030 2474 V CA -0.390 61.936 62.300 0.043 0.000 0.881 2474 V CB 0.834 32.618 31.823 -0.065 0.000 0.983 2474 V HN 0.985 nan 8.190 nan 0.000 0.445 2475 H N 3.670 122.744 119.070 0.006 0.000 2.466 2475 H HA 0.623 5.178 4.556 -0.001 0.000 0.338 2475 H C -0.313 175.023 175.328 0.014 0.000 1.091 2475 H CA -0.566 55.495 56.048 0.023 0.000 1.207 2475 H CB 1.922 31.720 29.762 0.061 0.000 1.466 2475 H HN 0.639 nan 8.280 nan 0.000 0.493 2476 V N 5.354 125.324 119.914 0.095 0.000 2.408 2476 V HA 0.104 4.223 4.120 -0.001 0.000 0.267 2476 V C 0.193 176.336 176.094 0.083 0.000 1.047 2476 V CA -0.430 61.906 62.300 0.060 0.000 0.937 2476 V CB 0.011 31.846 31.823 0.019 0.000 0.999 2476 V HN 0.572 nan 8.190 nan 0.000 0.472 2477 I N 3.713 124.335 120.570 0.087 0.000 2.577 2477 I HA 0.390 4.559 4.170 -0.001 0.000 0.300 2477 I C 0.436 176.586 176.117 0.055 0.000 0.990 2477 I CA -1.055 60.289 61.300 0.073 0.000 1.283 2477 I CB 1.308 39.351 38.000 0.072 0.000 1.411 2477 I HN 0.539 nan 8.210 nan 0.000 0.515 2478 E N 2.751 122.974 120.200 0.039 0.000 2.324 2478 E HA 0.529 4.878 4.350 -0.001 0.000 0.271 2478 E C 0.463 177.081 176.600 0.031 0.000 1.028 2478 E CA 0.304 56.724 56.400 0.032 0.000 0.890 2478 E CB 0.408 30.121 29.700 0.022 0.000 1.004 2478 E HN 0.864 nan 8.360 nan 0.000 0.431 2479 G N 2.755 111.579 108.800 0.040 0.000 2.384 2479 G HA2 0.053 4.012 3.960 -0.001 0.000 0.668 2479 G HA3 0.053 4.012 3.960 -0.001 0.000 0.668 2479 G C -1.082 173.863 174.900 0.075 0.000 1.280 2479 G CA -0.428 44.700 45.100 0.045 0.000 0.992 2479 G HN 0.640 nan 8.290 nan 0.000 0.512 2480 D N -2.630 117.823 120.400 0.088 0.000 2.564 2480 D HA 0.555 5.194 4.640 -0.001 0.000 0.273 2480 D C 1.288 177.704 176.300 0.193 0.000 1.192 2480 D CA 0.038 54.121 54.000 0.140 0.000 1.080 2480 D CB 0.361 41.240 40.800 0.131 0.000 1.160 2480 D HN 0.609 nan 8.370 nan 0.000 0.607 2481 H N -0.986 118.181 119.070 0.160 0.000 2.394 2481 H HA -0.098 4.457 4.556 -0.001 0.000 0.297 2481 H C 1.553 177.043 175.328 0.270 0.000 1.113 2481 H CA 1.997 58.184 56.048 0.231 0.000 1.277 2481 H CB 0.351 30.245 29.762 0.220 0.000 1.370 2481 H HN 0.164 nan 8.280 nan 0.000 0.506 2482 R N -1.064 119.528 120.500 0.154 0.000 2.156 2482 R HA 0.036 4.375 4.340 -0.001 0.000 0.207 2482 R C 2.337 178.626 176.300 -0.018 0.000 1.040 2482 R CA 1.301 57.443 56.100 0.069 0.000 1.013 2482 R CB -0.566 29.793 30.300 0.099 0.000 0.931 2482 R HN 0.588 nan 8.270 nan 0.000 0.465 2483 T N -0.414 114.143 114.554 0.006 0.000 3.043 2483 T HA -0.001 4.348 4.350 -0.001 0.000 0.263 2483 T C 2.033 176.702 174.700 -0.051 0.000 1.094 2483 T CA 0.446 62.532 62.100 -0.025 0.000 1.127 2483 T CB -0.283 68.586 68.868 0.002 0.000 0.905 2483 T HN 0.157 nan 8.240 nan 0.000 0.490 2484 L N 0.421 121.624 121.223 -0.033 0.000 2.034 2484 L HA -0.057 4.282 4.340 -0.001 0.000 0.217 2484 L C 1.992 178.783 176.870 -0.132 0.000 1.077 2484 L CA 1.748 56.562 54.840 -0.042 0.000 0.769 2484 L CB -0.405 41.666 42.059 0.019 0.000 0.890 2484 L HN 0.286 nan 8.230 nan 0.000 0.435 2485 L N -0.883 120.198 121.223 -0.238 0.000 2.627 2485 L HA 0.118 4.457 4.340 -0.001 0.000 0.232 2485 L C 0.453 177.191 176.870 -0.220 0.000 1.150 2485 L CA -0.292 54.356 54.840 -0.320 0.000 0.917 2485 L CB -0.084 41.663 42.059 -0.520 0.000 1.104 2485 L HN 0.347 nan 8.230 nan 0.000 0.445 2489 G N 2.459 111.244 108.800 -0.025 0.000 2.509 2489 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.218 2489 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.218 2489 G C 1.265 176.137 174.900 -0.047 0.000 1.124 2489 G CA 0.892 45.980 45.100 -0.021 0.000 0.776 2489 G HN 0.640 nan 8.290 nan 0.000 0.547 2490 L N 0.550 121.731 121.223 -0.070 0.000 2.083 2490 L HA 0.022 4.361 4.340 -0.001 0.000 0.209 2490 L C 2.472 179.300 176.870 -0.070 0.000 1.083 2490 L CA 1.751 56.531 54.840 -0.100 0.000 0.752 2490 L CB -0.328 41.670 42.059 -0.101 0.000 0.899 2490 L HN 0.105 nan 8.230 nan 0.000 0.433 2491 E N -0.165 120.013 120.200 -0.038 0.000 2.085 2491 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 2491 E C 2.193 178.792 176.600 -0.003 0.000 0.994 2491 E CA 1.541 57.932 56.400 -0.014 0.000 0.801 2491 E CB -0.462 29.235 29.700 -0.005 0.000 0.743 2491 E HN 0.580 nan 8.360 nan 0.000 0.453 2492 S N 1.244 116.943 115.700 -0.001 0.000 2.356 2492 S HA -0.113 4.357 4.470 -0.001 0.000 0.223 2492 S C 2.219 176.822 174.600 0.004 0.000 1.032 2492 S CA 0.922 59.132 58.200 0.017 0.000 1.005 2492 S CB -0.298 62.920 63.200 0.030 0.000 0.867 2492 S HN 0.199 nan 8.310 nan 0.000 0.449 2493 I N 1.373 121.926 120.570 -0.028 0.000 2.226 2493 I HA -0.180 3.989 4.170 -0.001 0.000 0.245 2493 I C 1.994 178.061 176.117 -0.083 0.000 1.100 2493 I CA 1.221 62.489 61.300 -0.053 0.000 1.374 2493 I CB -0.423 37.494 38.000 -0.138 0.000 1.057 2493 I HN 0.247 nan 8.210 nan 0.000 0.413 2494 I N -0.163 120.357 120.570 -0.083 0.000 2.394 2494 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 2494 I C 2.511 178.647 176.117 0.031 0.000 1.136 2494 I CA 1.032 62.279 61.300 -0.087 0.000 1.425 2494 I CB -0.308 37.682 38.000 -0.016 0.000 1.079 2494 I HN 0.136 nan 8.210 nan 0.000 0.425 2495 S N 0.897 116.635 115.700 0.063 0.000 2.345 2495 S HA -0.021 4.449 4.470 -0.001 0.000 0.219 2495 S C 2.030 176.679 174.600 0.082 0.000 1.031 2495 S CA 0.999 59.261 58.200 0.104 0.000 0.984 2495 S CB -0.210 63.031 63.200 0.068 0.000 0.874 2495 S HN 0.297 nan 8.310 nan 0.000 0.451 2496 I N 1.588 122.176 120.570 0.030 0.000 2.151 2496 I HA -0.231 3.939 4.170 -0.001 0.000 0.243 2496 I C 2.073 178.214 176.117 0.041 0.000 1.080 2496 I CA 1.362 62.667 61.300 0.008 0.000 1.339 2496 I CB -0.486 37.453 38.000 -0.101 0.000 1.039 2496 I HN 0.247 nan 8.210 nan 0.000 0.409 2497 I N -0.315 120.231 120.570 -0.041 0.000 2.179 2497 I HA -0.312 3.857 4.170 -0.001 0.000 0.242 2497 I C 2.692 178.760 176.117 -0.082 0.000 1.088 2497 I CA 1.277 62.475 61.300 -0.170 0.000 1.357 2497 I CB -0.691 37.051 38.000 -0.430 0.000 1.051 2497 I HN 0.293 nan 8.210 nan 0.000 0.409 2498 H N 0.649 119.693 119.070 -0.044 0.000 2.290 2498 H HA -0.160 4.395 4.556 -0.002 0.000 0.298 2498 H C 2.647 177.983 175.328 0.014 0.000 1.087 2498 H CA 2.073 58.107 56.048 -0.023 0.000 1.291 2498 H CB -0.504 29.243 29.762 -0.025 0.000 1.369 2498 H HN 0.382 nan 8.280 nan 0.000 0.492 2499 S N 0.059 115.858 115.700 0.165 0.000 2.419 2499 S HA -0.099 4.370 4.470 -0.001 0.000 0.233 2499 S C 2.186 176.857 174.600 0.117 0.000 1.016 2499 S CA 1.057 59.326 58.200 0.116 0.000 0.974 2499 S CB -0.135 63.124 63.200 0.098 0.000 0.786 2499 S HN 0.200 nan 8.310 nan 0.000 0.492 2500 S N 2.273 118.060 115.700 0.146 0.000 2.359 2500 S HA 0.254 4.723 4.470 -0.001 0.000 0.186 2500 S C 0.635 175.333 174.600 0.163 0.000 1.163 2500 S CA 0.188 58.497 58.200 0.183 0.000 1.479 2500 S CB -0.840 62.566 63.200 0.344 0.000 0.880 2500 S HN 0.533 nan 8.310 nan 0.000 0.395 2501 L N 2.712 124.056 121.223 0.203 0.000 2.980 2501 L HA -0.054 4.285 4.340 -0.001 0.000 0.297 2501 L C 0.965 177.896 176.870 0.102 0.000 1.024 2501 L CA -0.652 54.275 54.840 0.145 0.000 1.118 2501 L CB -1.759 40.365 42.059 0.108 0.000 1.559 2501 L HN 0.435 nan 8.230 nan 0.000 0.427 2502 A N 0.000 122.872 122.820 0.087 0.000 2.254 2502 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 2502 A CA 0.000 52.077 52.037 0.066 0.000 0.836 2502 A CB 0.000 19.031 19.000 0.052 0.000 0.831 2502 A HN 0.000 nan 8.150 nan 0.000 0.486