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 1ofq_1_B DATA FIRST_RESID 2023 DATA SEQUENCE VRILGYDPLA SPALLQVQIP ATPTSLETAK RGRREAIDII TGKDDRVLVI DATA SEQUENCE VGPCSIHDLE AAQEYALRLK KLSDELKGDL SIIMRAYLEX PRTTXXWKGL DATA SEQUENCE INDPDVNNTF NINKGLQSAR QLFVNLTNIG LPIGSEMLDT ISPQYLADLV DATA SEQUENCE SFGAIGARTT ESQLHRELAS GLSFPVGFKN GTDGTLNVAV DACQAAAHSH DATA SEQUENCE HFMGVTKHGV AAITTTKGNE HCFVILRGGK KGTNYDAKSV AEAKAQLPAG DATA SEQUENCE SNGLMIDYSH GNSNKDFRNQ PKVNDVVCEQ IANGENAITG VMIESNINEG DATA SEQUENCE NQGIXXEGKA GLKYGVSITD ACIGWETTED VLRKLAAAVR QRREVNKK 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 2023 V HA 0.000 nan 4.120 nan 0.000 0.244 2023 V C 0.000 176.077 176.094 -0.028 0.000 1.182 2023 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 2023 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 2024 R N 0.690 121.169 120.500 -0.035 0.000 2.577 2024 R HA 0.540 4.880 4.340 -0.000 0.000 0.344 2024 R C -0.384 175.869 176.300 -0.079 0.000 1.037 2024 R CA -0.187 55.885 56.100 -0.047 0.000 1.102 2024 R CB 1.044 31.323 30.300 -0.035 0.000 1.313 2024 R HN 0.352 nan 8.270 nan 0.000 0.561 2025 I N 2.195 122.705 120.570 -0.099 0.000 2.388 2025 I HA 0.046 4.216 4.170 -0.000 0.000 0.281 2025 I C 1.064 177.054 176.117 -0.212 0.000 1.046 2025 I CA -0.436 60.750 61.300 -0.189 0.000 1.187 2025 I CB 1.422 39.293 38.000 -0.215 0.000 1.351 2025 I HN 0.009 nan 8.210 nan 0.000 0.472 2026 L N 5.062 126.166 121.223 -0.199 0.000 2.189 2026 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 2026 L C 1.236 177.991 176.870 -0.191 0.000 1.097 2026 L CA 1.203 55.947 54.840 -0.161 0.000 0.764 2026 L CB -0.743 41.234 42.059 -0.138 0.000 0.900 2026 L HN 0.847 nan 8.230 nan 0.000 0.436 2027 G N -3.769 104.826 108.800 -0.342 0.000 2.359 2027 G HA2 0.202 4.162 3.960 -0.000 0.000 0.293 2027 G HA3 0.202 4.162 3.960 -0.000 0.000 0.293 2027 G C -1.897 172.691 174.900 -0.521 0.000 1.300 2027 G CA -0.818 44.076 45.100 -0.345 0.000 0.888 2027 G HN -0.152 nan 8.290 nan 0.000 0.541 2028 Y N -0.095 120.193 120.300 -0.021 0.000 2.512 2028 Y HA 0.645 5.195 4.550 -0.000 0.000 0.348 2028 Y C -0.574 175.318 175.900 -0.014 0.000 0.990 2028 Y CA -0.953 57.135 58.100 -0.020 0.000 1.033 2028 Y CB 2.560 41.012 38.460 -0.014 0.000 1.259 2028 Y HN 0.396 nan 8.280 nan 0.000 0.461 2029 D N 2.622 123.112 120.400 0.150 0.000 2.350 2029 D HA 0.342 4.982 4.640 -0.000 0.000 0.245 2029 D C -2.470 173.877 176.300 0.077 0.000 1.036 2029 D CA -1.350 52.701 54.000 0.085 0.000 0.848 2029 D CB 1.648 42.477 40.800 0.049 0.000 1.307 2029 D HN 0.310 nan 8.370 nan 0.000 0.469 2030 P HA 0.150 nan 4.420 nan 0.000 0.267 2030 P C -0.778 176.548 177.300 0.044 0.000 1.200 2030 P CA -0.485 62.640 63.100 0.042 0.000 0.772 2030 P CB 0.815 32.533 31.700 0.031 0.000 0.855 2031 L N 2.084 123.336 121.223 0.049 0.000 2.349 2031 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 2031 L C -0.266 176.657 176.870 0.089 0.000 0.996 2031 L CA -0.818 54.059 54.840 0.063 0.000 0.825 2031 L CB 1.446 43.550 42.059 0.074 0.000 1.243 2031 L HN 0.562 nan 8.230 nan 0.000 0.412 2032 A N 3.491 126.369 122.820 0.096 0.000 2.511 2032 A HA 0.465 4.785 4.320 -0.000 0.000 0.242 2032 A C 0.559 178.278 177.584 0.226 0.000 1.069 2032 A CA 0.438 52.551 52.037 0.126 0.000 0.763 2032 A CB -0.271 18.797 19.000 0.113 0.000 1.001 2032 A HN 0.988 nan 8.150 nan 0.000 0.498 2033 S N 2.661 118.449 115.700 0.147 0.000 2.593 2033 S HA 0.336 4.806 4.470 -0.000 0.000 0.269 2033 S C -1.917 172.661 174.600 -0.036 0.000 1.334 2033 S CA -0.741 57.506 58.200 0.078 0.000 1.015 2033 S CB 0.573 63.803 63.200 0.050 0.000 0.912 2033 S HN 0.439 nan 8.310 nan 0.000 0.541 2034 P HA -0.061 nan 4.420 nan 0.000 0.215 2034 P C 1.607 178.766 177.300 -0.234 0.000 1.153 2034 P CA 1.970 64.606 63.100 -0.773 0.000 0.853 2034 P CB -0.235 30.951 31.700 -0.858 0.000 0.788 2035 A N -0.665 122.082 122.820 -0.122 0.000 1.877 2035 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 2035 A C 2.139 179.742 177.584 0.031 0.000 1.186 2035 A CA 1.522 53.550 52.037 -0.015 0.000 0.620 2035 A CB -1.702 17.361 19.000 0.105 0.000 0.822 2035 A HN 0.143 nan 8.150 nan 0.000 0.443 2036 L N -0.478 120.775 121.223 0.051 0.000 2.012 2036 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 2036 L C 2.144 179.052 176.870 0.063 0.000 1.073 2036 L CA 1.616 56.490 54.840 0.057 0.000 0.748 2036 L CB -0.469 41.628 42.059 0.063 0.000 0.891 2036 L HN 0.301 nan 8.230 nan 0.000 0.431 2037 L N -0.822 120.456 121.223 0.093 0.000 2.201 2037 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 2037 L C 2.477 179.393 176.870 0.077 0.000 1.105 2037 L CA 1.482 56.389 54.840 0.113 0.000 0.775 2037 L CB -0.916 41.283 42.059 0.234 0.000 0.913 2037 L HN 0.534 nan 8.230 nan 0.000 0.440 2038 Q N -1.501 118.329 119.800 0.049 0.000 2.245 2038 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 2038 Q C 2.212 178.232 176.000 0.035 0.000 0.955 2038 Q CA 0.726 56.551 55.803 0.036 0.000 0.870 2038 Q CB 0.296 29.040 28.738 0.011 0.000 0.945 2038 Q HN 0.313 nan 8.270 nan 0.000 0.461 2039 V N 0.282 120.217 119.914 0.035 0.000 2.535 2039 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 2039 V C 2.077 178.190 176.094 0.032 0.000 1.045 2039 V CA 1.417 63.736 62.300 0.032 0.000 1.058 2039 V CB -0.258 31.584 31.823 0.032 0.000 0.689 2039 V HN 0.329 nan 8.190 nan 0.000 0.461 2040 Q N -0.269 119.553 119.800 0.037 0.000 2.046 2040 Q HA 0.001 4.341 4.340 -0.000 0.000 0.200 2040 Q C 0.663 176.684 176.000 0.034 0.000 0.975 2040 Q CA 1.207 57.031 55.803 0.035 0.000 0.836 2040 Q CB 0.174 28.937 28.738 0.041 0.000 0.896 2040 Q HN 0.534 nan 8.270 nan 0.000 0.428 2041 I N 2.475 123.069 120.570 0.040 0.000 2.697 2041 I HA 0.271 4.441 4.170 -0.000 0.000 0.279 2041 I C -2.285 173.858 176.117 0.043 0.000 1.171 2041 I CA -2.044 59.280 61.300 0.040 0.000 1.135 2041 I CB 1.196 39.221 38.000 0.042 0.000 1.445 2041 I HN 0.021 nan 8.210 nan 0.000 0.541 2042 P HA 0.149 nan 4.420 nan 0.000 0.272 2042 P C -0.317 177.008 177.300 0.042 0.000 1.223 2042 P CA -0.199 62.923 63.100 0.037 0.000 0.784 2042 P CB 1.360 33.078 31.700 0.030 0.000 0.923 2043 A N 2.535 125.381 122.820 0.044 0.000 2.363 2043 A HA 0.481 4.801 4.320 -0.000 0.000 0.270 2043 A C 0.863 178.469 177.584 0.037 0.000 1.121 2043 A CA -0.225 51.841 52.037 0.047 0.000 0.800 2043 A CB -0.398 18.634 19.000 0.052 0.000 1.052 2043 A HN 0.644 nan 8.150 nan 0.000 0.493 2044 T N 0.604 115.179 114.554 0.035 0.000 2.868 2044 T HA 0.373 4.723 4.350 -0.000 0.000 0.292 2044 T C -1.921 172.794 174.700 0.025 0.000 1.028 2044 T CA -1.262 60.855 62.100 0.027 0.000 1.059 2044 T CB 0.665 69.547 68.868 0.024 0.000 0.991 2044 T HN 0.315 nan 8.240 nan 0.000 0.531 2045 P HA -0.058 nan 4.420 nan 0.000 0.218 2045 P C 1.554 178.865 177.300 0.018 0.000 1.148 2045 P CA 1.058 64.169 63.100 0.019 0.000 0.822 2045 P CB -0.164 31.546 31.700 0.016 0.000 0.784 2046 T N -1.446 113.118 114.554 0.017 0.000 2.821 2046 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 2046 T C 1.955 176.664 174.700 0.015 0.000 1.046 2046 T CA 1.493 63.601 62.100 0.014 0.000 1.139 2046 T CB -0.722 68.152 68.868 0.011 0.000 0.871 2046 T HN 0.094 nan 8.240 nan 0.000 0.454 2047 S N 1.444 117.156 115.700 0.021 0.000 2.348 2047 S HA -0.019 4.451 4.470 -0.000 0.000 0.221 2047 S C 2.006 176.620 174.600 0.024 0.000 1.033 2047 S CA 0.985 59.200 58.200 0.024 0.000 1.010 2047 S CB -0.471 62.751 63.200 0.037 0.000 0.891 2047 S HN 0.264 nan 8.310 nan 0.000 0.442 2048 L N 1.405 122.646 121.223 0.029 0.000 2.083 2048 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 2048 L C 2.557 179.443 176.870 0.027 0.000 1.083 2048 L CA 1.378 56.238 54.840 0.032 0.000 0.752 2048 L CB -0.519 41.560 42.059 0.034 0.000 0.899 2048 L HN 0.214 nan 8.230 nan 0.000 0.433 2049 E N -0.380 119.833 120.200 0.021 0.000 2.106 2049 E HA -0.166 4.183 4.350 -0.000 0.000 0.192 2049 E C 2.030 178.639 176.600 0.014 0.000 0.984 2049 E CA 1.937 58.348 56.400 0.018 0.000 0.806 2049 E CB -0.239 29.470 29.700 0.015 0.000 0.750 2049 E HN 0.452 nan 8.360 nan 0.000 0.458 2050 T N 0.156 114.715 114.554 0.009 0.000 2.777 2050 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 2050 T C 1.950 176.650 174.700 -0.001 0.000 1.040 2050 T CA 1.400 63.501 62.100 0.001 0.000 1.141 2050 T CB -0.620 68.245 68.868 -0.005 0.000 0.868 2050 T HN 0.313 nan 8.240 nan 0.000 0.444 2051 A N 2.247 125.067 122.820 0.001 0.000 1.883 2051 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 2051 A C 2.304 179.901 177.584 0.022 0.000 1.186 2051 A CA 1.778 53.814 52.037 -0.003 0.000 0.624 2051 A CB -0.553 18.452 19.000 0.007 0.000 0.822 2051 A HN 0.492 nan 8.150 nan 0.000 0.444 2052 K N -0.975 119.444 120.400 0.032 0.000 2.032 2052 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 2052 K C 2.424 179.043 176.600 0.032 0.000 1.048 2052 K CA 1.620 57.932 56.287 0.042 0.000 0.927 2052 K CB -0.217 32.306 32.500 0.037 0.000 0.712 2052 K HN 0.453 nan 8.250 nan 0.000 0.441 2053 R N 0.562 121.074 120.500 0.020 0.000 2.081 2053 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 2053 R C 2.413 178.719 176.300 0.010 0.000 1.131 2053 R CA 1.707 57.814 56.100 0.012 0.000 0.960 2053 R CB -0.552 29.752 30.300 0.007 0.000 0.856 2053 R HN 0.341 nan 8.270 nan 0.000 0.436 2054 G N 0.524 109.329 108.800 0.008 0.000 2.469 2054 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 2054 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 2054 G C 1.388 176.305 174.900 0.028 0.000 1.150 2054 G CA 0.833 45.938 45.100 0.008 0.000 0.763 2054 G HN 0.342 nan 8.290 nan 0.000 0.561 2055 R N -0.144 120.383 120.500 0.045 0.000 2.066 2055 R HA 0.054 4.394 4.340 -0.000 0.000 0.232 2055 R C 2.822 179.134 176.300 0.019 0.000 1.131 2055 R CA 1.082 57.224 56.100 0.070 0.000 0.955 2055 R CB -0.317 30.047 30.300 0.107 0.000 0.851 2055 R HN 0.251 nan 8.270 nan 0.000 0.432 2056 R N 0.875 121.381 120.500 0.011 0.000 2.091 2056 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 2056 R C 2.169 178.458 176.300 -0.019 0.000 1.136 2056 R CA 1.675 57.770 56.100 -0.009 0.000 0.959 2056 R CB -0.161 30.142 30.300 0.004 0.000 0.856 2056 R HN 0.398 nan 8.270 nan 0.000 0.437 2057 E N 0.251 120.446 120.200 -0.009 0.000 2.072 2057 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 2057 E C 2.076 178.662 176.600 -0.023 0.000 0.985 2057 E CA 1.005 57.396 56.400 -0.015 0.000 0.801 2057 E CB -0.093 29.599 29.700 -0.013 0.000 0.750 2057 E HN 0.353 nan 8.360 nan 0.000 0.452 2058 A N 1.475 124.289 122.820 -0.009 0.000 1.902 2058 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 2058 A C 2.199 179.768 177.584 -0.025 0.000 1.181 2058 A CA 1.059 53.096 52.037 0.000 0.000 0.623 2058 A CB -0.613 18.438 19.000 0.085 0.000 0.818 2058 A HN 0.119 nan 8.150 nan 0.000 0.443 2059 I N 0.023 120.551 120.570 -0.069 0.000 2.127 2059 I HA -0.267 3.902 4.170 -0.000 0.000 0.241 2059 I C 1.869 177.946 176.117 -0.067 0.000 1.075 2059 I CA 1.666 62.867 61.300 -0.166 0.000 1.334 2059 I CB -0.565 37.227 38.000 -0.347 0.000 1.040 2059 I HN 0.260 nan 8.210 nan 0.000 0.405 2060 D N 0.851 121.225 120.400 -0.043 0.000 2.182 2060 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 2060 D C 2.188 178.478 176.300 -0.015 0.000 0.986 2060 D CA 1.344 55.335 54.000 -0.014 0.000 0.847 2060 D CB -0.121 40.673 40.800 -0.011 0.000 0.942 2060 D HN 0.398 nan 8.370 nan 0.000 0.467 2061 I N 1.185 121.734 120.570 -0.034 0.000 2.162 2061 I HA -0.169 4.001 4.170 -0.000 0.000 0.238 2061 I C 2.592 178.673 176.117 -0.060 0.000 1.076 2061 I CA 0.620 61.891 61.300 -0.050 0.000 1.353 2061 I CB -0.373 37.584 38.000 -0.073 0.000 1.063 2061 I HN -0.025 nan 8.210 nan 0.000 0.408 2062 I N -0.212 120.308 120.570 -0.084 0.000 2.423 2062 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 2062 I C 2.309 178.432 176.117 0.010 0.000 1.151 2062 I CA 1.959 63.202 61.300 -0.096 0.000 1.421 2062 I CB -0.978 36.947 38.000 -0.126 0.000 1.079 2062 I HN 0.302 nan 8.210 nan 0.000 0.431 2063 T N -2.304 112.276 114.554 0.044 0.000 3.081 2063 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 2063 T C 1.550 176.277 174.700 0.044 0.000 1.100 2063 T CA 0.404 62.548 62.100 0.074 0.000 1.038 2063 T CB 0.250 69.185 68.868 0.110 0.000 0.962 2063 T HN 0.767 nan 8.240 nan 0.000 0.516 2064 G N 1.558 110.369 108.800 0.019 0.000 2.157 2064 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.248 2064 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.248 2064 G C 0.725 175.633 174.900 0.014 0.000 0.979 2064 G CA 0.582 45.690 45.100 0.014 0.000 0.650 2064 G HN 0.643 nan 8.290 nan 0.000 0.529 2065 K N 0.826 121.235 120.400 0.015 0.000 2.031 2065 K HA 0.054 4.374 4.320 -0.000 0.000 0.205 2065 K C 0.803 177.406 176.600 0.005 0.000 1.049 2065 K CA 1.589 57.884 56.287 0.014 0.000 0.939 2065 K CB -0.056 32.455 32.500 0.018 0.000 0.717 2065 K HN 0.397 nan 8.250 nan 0.000 0.438 2066 D N 0.141 120.540 120.400 -0.002 0.000 2.192 2066 D HA 0.071 4.711 4.640 -0.000 0.000 0.246 2066 D C -0.456 175.837 176.300 -0.011 0.000 1.042 2066 D CA -0.565 53.431 54.000 -0.007 0.000 0.847 2066 D CB 1.225 42.018 40.800 -0.013 0.000 1.186 2066 D HN 0.243 nan 8.370 nan 0.000 0.461 2067 D N 2.462 122.857 120.400 -0.009 0.000 2.319 2067 D HA 0.004 4.644 4.640 -0.000 0.000 0.230 2067 D C 0.258 176.549 176.300 -0.015 0.000 1.094 2067 D CA -0.136 53.858 54.000 -0.010 0.000 0.856 2067 D CB 0.007 40.804 40.800 -0.005 0.000 0.915 2067 D HN 0.190 nan 8.370 nan 0.000 0.517 2068 R N -0.274 120.214 120.500 -0.020 0.000 2.583 2068 R HA 0.522 4.862 4.340 -0.000 0.000 0.268 2068 R C -0.360 175.919 176.300 -0.036 0.000 1.101 2068 R CA -0.758 55.327 56.100 -0.025 0.000 1.180 2068 R CB 1.317 31.601 30.300 -0.027 0.000 1.128 2068 R HN -0.080 nan 8.270 nan 0.000 0.568 2069 V N 2.319 122.208 119.914 -0.041 0.000 2.483 2069 V HA 0.184 4.304 4.120 -0.000 0.000 0.295 2069 V C -0.422 175.626 176.094 -0.076 0.000 1.035 2069 V CA -0.792 61.475 62.300 -0.055 0.000 0.896 2069 V CB 1.622 33.421 31.823 -0.041 0.000 0.986 2069 V HN 0.416 nan 8.190 nan 0.000 0.447 2070 L N 6.825 127.985 121.223 -0.106 0.000 2.305 2070 L HA 0.575 4.915 4.340 -0.000 0.000 0.281 2070 L C -0.431 176.347 176.870 -0.153 0.000 1.085 2070 L CA 0.512 55.274 54.840 -0.130 0.000 0.813 2070 L CB 1.264 43.224 42.059 -0.165 0.000 1.157 2070 L HN 0.436 nan 8.230 nan 0.000 0.436 2071 V N 6.636 126.460 119.914 -0.151 0.000 2.531 2071 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 2071 V C -0.273 175.708 176.094 -0.188 0.000 1.034 2071 V CA -0.575 61.622 62.300 -0.172 0.000 0.865 2071 V CB 1.701 33.442 31.823 -0.137 0.000 0.995 2071 V HN 0.518 nan 8.190 nan 0.000 0.424 2072 I N 6.186 126.616 120.570 -0.234 0.000 2.361 2072 I HA 0.361 4.531 4.170 -0.000 0.000 0.282 2072 I C -0.110 175.929 176.117 -0.130 0.000 1.075 2072 I CA -0.334 60.832 61.300 -0.223 0.000 1.205 2072 I CB 0.942 38.721 38.000 -0.369 0.000 1.406 2072 I HN 0.343 nan 8.210 nan 0.000 0.481 2073 V N 2.881 122.761 119.914 -0.057 0.000 2.483 2073 V HA 1.070 5.190 4.120 -0.000 0.000 0.295 2073 V C 0.498 176.651 176.094 0.098 0.000 1.035 2073 V CA -0.468 61.835 62.300 0.006 0.000 0.896 2073 V CB 1.326 33.182 31.823 0.054 0.000 0.986 2073 V HN 0.906 nan 8.190 nan 0.000 0.447 2074 G N 3.710 112.533 108.800 0.038 0.000 2.320 2074 G HA2 0.445 4.405 3.960 -0.000 0.000 0.297 2074 G HA3 0.445 4.405 3.960 -0.000 0.000 0.297 2074 G C -3.589 171.175 174.900 -0.227 0.000 1.344 2074 G CA -0.869 44.175 45.100 -0.092 0.000 0.851 2074 G HN 0.558 nan 8.290 nan 0.000 0.567 2075 P HA 0.179 nan 4.420 nan 0.000 0.269 2075 P C 1.231 178.440 177.300 -0.152 0.000 1.217 2075 P CA -0.050 62.906 63.100 -0.239 0.000 0.783 2075 P CB 0.862 32.434 31.700 -0.214 0.000 0.898 2076 C N 1.196 120.432 119.300 -0.106 0.000 2.432 2076 C HA -0.017 4.443 4.460 -0.000 0.000 0.277 2076 C C 1.023 176.011 174.990 -0.003 0.000 1.249 2076 C CA 1.782 60.752 59.018 -0.079 0.000 1.725 2076 C CB -1.389 26.342 27.740 -0.015 0.000 2.028 2076 C HN 0.752 nan 8.230 nan 0.000 0.477 2077 S N -0.452 115.308 115.700 0.100 0.000 2.607 2077 S HA 0.700 5.170 4.470 -0.000 0.000 0.273 2077 S C -1.245 173.516 174.600 0.268 0.000 1.148 2077 S CA -0.747 57.604 58.200 0.251 0.000 0.833 2077 S CB 1.180 64.615 63.200 0.391 0.000 1.130 2077 S HN 0.206 nan 8.310 nan 0.000 0.470 2078 I N 3.497 124.270 120.570 0.339 0.000 2.355 2078 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 2078 I C 0.695 177.031 176.117 0.365 0.000 0.999 2078 I CA -0.410 61.040 61.300 0.249 0.000 1.163 2078 I CB 0.989 39.102 38.000 0.188 0.000 1.316 2078 I HN 1.075 nan 8.210 nan 0.000 0.454 2079 H N 2.798 121.866 119.070 -0.003 0.000 3.046 2079 H HA 0.272 4.828 4.556 -0.000 0.000 0.262 2079 H C -0.573 174.666 175.328 -0.148 0.000 1.044 2079 H CA -0.224 55.692 56.048 -0.222 0.000 1.209 2079 H CB 1.257 30.464 29.762 -0.925 0.000 1.507 2079 H HN 0.442 nan 8.280 nan 0.000 0.507 2080 D N 1.642 121.640 120.400 -0.670 0.000 2.469 2080 D HA 0.168 4.808 4.640 -0.000 0.000 0.251 2080 D C 1.166 177.325 176.300 -0.234 0.000 1.173 2080 D CA -0.454 53.248 54.000 -0.495 0.000 0.882 2080 D CB 1.364 41.735 40.800 -0.715 0.000 1.129 2080 D HN 0.071 nan 8.370 nan 0.000 0.549 2081 L N 2.425 123.585 121.223 -0.105 0.000 2.046 2081 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 2081 L C 1.717 178.568 176.870 -0.031 0.000 1.077 2081 L CA 1.128 55.947 54.840 -0.034 0.000 0.747 2081 L CB -0.269 41.792 42.059 0.005 0.000 0.896 2081 L HN 0.357 nan 8.230 nan 0.000 0.432 2082 E N 0.773 120.957 120.200 -0.027 0.000 2.031 2082 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 2082 E C 2.304 178.916 176.600 0.020 0.000 0.994 2082 E CA 1.509 57.919 56.400 0.017 0.000 0.800 2082 E CB -0.487 29.246 29.700 0.054 0.000 0.752 2082 E HN 0.420 nan 8.360 nan 0.000 0.447 2083 A N 1.044 123.827 122.820 -0.062 0.000 1.940 2083 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 2083 A C 2.379 179.878 177.584 -0.143 0.000 1.176 2083 A CA 2.100 53.994 52.037 -0.238 0.000 0.631 2083 A CB -0.924 17.712 19.000 -0.606 0.000 0.814 2083 A HN 0.282 nan 8.150 nan 0.000 0.446 2084 A N -1.281 121.472 122.820 -0.112 0.000 1.933 2084 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 2084 A C 2.132 179.735 177.584 0.031 0.000 1.175 2084 A CA 2.080 54.094 52.037 -0.038 0.000 0.628 2084 A CB -0.443 18.542 19.000 -0.025 0.000 0.814 2084 A HN 0.515 nan 8.150 nan 0.000 0.444 2085 Q N -0.155 119.653 119.800 0.013 0.000 2.079 2085 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 2085 Q C 1.970 177.967 176.000 -0.004 0.000 0.974 2085 Q CA 2.039 57.850 55.803 0.014 0.000 0.840 2085 Q CB -0.297 28.448 28.738 0.012 0.000 0.898 2085 Q HN 0.779 nan 8.270 nan 0.000 0.430 2086 E N -1.316 118.886 120.200 0.003 0.000 2.031 2086 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 2086 E C 1.826 178.353 176.600 -0.122 0.000 0.994 2086 E CA 1.204 57.584 56.400 -0.034 0.000 0.800 2086 E CB -0.351 29.375 29.700 0.044 0.000 0.752 2086 E HN 0.506 nan 8.360 nan 0.000 0.447 2087 Y N 0.849 121.025 120.300 -0.206 0.000 2.114 2087 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 2087 Y C 2.085 177.833 175.900 -0.253 0.000 1.165 2087 Y CA 2.108 60.041 58.100 -0.277 0.000 1.148 2087 Y CB -0.580 37.782 38.460 -0.163 0.000 0.972 2087 Y HN 0.166 nan 8.280 nan 0.000 0.504 2088 A N 0.137 122.955 122.820 -0.004 0.000 1.883 2088 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 2088 A C 2.130 179.625 177.584 -0.149 0.000 1.186 2088 A CA 1.911 53.926 52.037 -0.038 0.000 0.624 2088 A CB -1.112 17.901 19.000 0.022 0.000 0.822 2088 A HN 0.471 nan 8.150 nan 0.000 0.444 2089 L N -0.159 120.969 121.223 -0.157 0.000 2.012 2089 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 2089 L C 2.660 179.389 176.870 -0.235 0.000 1.073 2089 L CA 2.002 56.748 54.840 -0.156 0.000 0.748 2089 L CB -1.435 40.545 42.059 -0.131 0.000 0.891 2089 L HN 0.437 nan 8.230 nan 0.000 0.431 2090 R N -0.926 119.313 120.500 -0.435 0.000 2.083 2090 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 2090 R C 2.131 178.212 176.300 -0.366 0.000 1.137 2090 R CA 1.284 57.017 56.100 -0.611 0.000 0.951 2090 R CB -0.753 28.657 30.300 -1.482 0.000 0.851 2090 R HN 0.193 nan 8.270 nan 0.000 0.434 2091 L N 1.645 122.619 121.223 -0.415 0.000 2.083 2091 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 2091 L C 2.215 179.084 176.870 -0.001 0.000 1.083 2091 L CA 1.808 56.634 54.840 -0.022 0.000 0.752 2091 L CB -0.424 41.579 42.059 -0.094 0.000 0.899 2091 L HN -0.069 nan 8.230 nan 0.000 0.433 2092 K N 0.244 120.608 120.400 -0.060 0.000 2.057 2092 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 2092 K C 2.223 178.814 176.600 -0.015 0.000 1.049 2092 K CA 1.914 58.183 56.287 -0.031 0.000 0.931 2092 K CB -0.313 32.162 32.500 -0.043 0.000 0.714 2092 K HN 0.376 nan 8.250 nan 0.000 0.440 2093 K N -0.035 120.352 120.400 -0.021 0.000 2.025 2093 K HA -0.094 4.225 4.320 -0.000 0.000 0.207 2093 K C 2.177 178.799 176.600 0.037 0.000 1.049 2093 K CA 1.349 57.636 56.287 0.001 0.000 0.933 2093 K CB -0.285 32.209 32.500 -0.009 0.000 0.714 2093 K HN 0.212 nan 8.250 nan 0.000 0.438 2094 L N 0.863 122.139 121.223 0.089 0.000 2.079 2094 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 2094 L C 2.375 179.272 176.870 0.045 0.000 1.081 2094 L CA 1.693 56.595 54.840 0.103 0.000 0.752 2094 L CB -0.450 41.730 42.059 0.201 0.000 0.896 2094 L HN 0.212 nan 8.230 nan 0.000 0.433 2095 S N -0.676 115.047 115.700 0.037 0.000 2.368 2095 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 2095 S C 1.692 176.294 174.600 0.004 0.000 1.030 2095 S CA 1.601 59.808 58.200 0.012 0.000 0.999 2095 S CB -0.404 62.800 63.200 0.007 0.000 0.844 2095 S HN 0.568 nan 8.310 nan 0.000 0.459 2096 D N 0.945 121.348 120.400 0.005 0.000 2.178 2096 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 2096 D C 1.935 178.236 176.300 0.002 0.000 0.980 2096 D CA 1.050 55.050 54.000 0.001 0.000 0.842 2096 D CB -0.392 40.408 40.800 0.000 0.000 0.948 2096 D HN 0.707 nan 8.370 nan 0.000 0.472 2097 E N 0.351 120.554 120.200 0.006 0.000 2.047 2097 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 2097 E C 1.739 178.337 176.600 -0.003 0.000 0.987 2097 E CA 0.633 57.036 56.400 0.003 0.000 0.799 2097 E CB 0.028 29.733 29.700 0.009 0.000 0.752 2097 E HN 0.232 nan 8.360 nan 0.000 0.449 2098 L N 1.116 122.335 121.223 -0.006 0.000 2.592 2098 L HA 0.114 4.454 4.340 -0.000 0.000 0.227 2098 L C 2.137 178.999 176.870 -0.014 0.000 1.127 2098 L CA 0.118 54.950 54.840 -0.013 0.000 0.884 2098 L CB -0.143 41.903 42.059 -0.021 0.000 1.065 2098 L HN 0.080 nan 8.230 nan 0.000 0.457 2099 K N 0.788 121.182 120.400 -0.011 0.000 2.366 2099 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 2099 K C 1.786 178.379 176.600 -0.012 0.000 1.045 2099 K CA 1.590 57.870 56.287 -0.012 0.000 0.934 2099 K CB -0.613 31.882 32.500 -0.009 0.000 0.746 2099 K HN 0.263 nan 8.250 nan 0.000 0.470 2100 G N 0.716 109.509 108.800 -0.011 0.000 2.572 2100 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 2100 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 2100 G C 0.730 175.623 174.900 -0.012 0.000 1.133 2100 G CA 0.633 45.727 45.100 -0.010 0.000 0.791 2100 G HN 0.380 nan 8.290 nan 0.000 0.538 2101 D N -0.844 119.547 120.400 -0.015 0.000 2.457 2101 D HA 0.194 4.834 4.640 -0.000 0.000 0.254 2101 D C 0.751 177.038 176.300 -0.023 0.000 1.097 2101 D CA 0.091 54.081 54.000 -0.017 0.000 0.870 2101 D CB 0.944 41.734 40.800 -0.016 0.000 1.253 2101 D HN 0.200 nan 8.370 nan 0.000 0.500 2102 L N 0.315 121.522 121.223 -0.027 0.000 2.354 2102 L HA 0.472 4.812 4.340 -0.000 0.000 0.269 2102 L C -0.268 176.580 176.870 -0.035 0.000 1.005 2102 L CA -0.715 54.104 54.840 -0.036 0.000 0.819 2102 L CB 2.552 44.587 42.059 -0.041 0.000 1.311 2102 L HN -0.234 nan 8.230 nan 0.000 0.423 2103 S N 2.527 118.200 115.700 -0.045 0.000 2.594 2103 S HA 0.596 5.066 4.470 -0.000 0.000 0.322 2103 S C -0.569 173.999 174.600 -0.053 0.000 1.085 2103 S CA -0.490 57.685 58.200 -0.042 0.000 1.116 2103 S CB 0.137 63.312 63.200 -0.042 0.000 0.979 2103 S HN 0.404 nan 8.310 nan 0.000 0.465 2104 I N 5.533 126.078 120.570 -0.042 0.000 2.396 2104 I HA 0.486 4.656 4.170 -0.000 0.000 0.292 2104 I C -0.261 175.831 176.117 -0.041 0.000 0.999 2104 I CA -0.570 60.703 61.300 -0.044 0.000 1.310 2104 I CB 1.350 39.337 38.000 -0.022 0.000 1.404 2104 I HN 0.488 nan 8.210 nan 0.000 0.496 2105 I N 6.023 126.560 120.570 -0.056 0.000 2.533 2105 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 2105 I C -0.392 175.710 176.117 -0.026 0.000 1.056 2105 I CA -0.620 60.649 61.300 -0.051 0.000 1.057 2105 I CB 2.206 40.155 38.000 -0.085 0.000 1.240 2105 I HN 0.560 nan 8.210 nan 0.000 0.423 2106 M N 5.485 125.087 119.600 0.004 0.000 2.216 2106 M HA 0.395 4.875 4.480 -0.000 0.000 0.356 2106 M C -0.229 176.104 176.300 0.055 0.000 1.205 2106 M CA -0.295 55.041 55.300 0.059 0.000 1.122 2106 M CB 0.748 33.401 32.600 0.088 0.000 1.571 2106 M HN 0.489 nan 8.290 nan 0.000 0.464 2107 R N 3.522 124.074 120.500 0.086 0.000 2.351 2107 R HA 0.296 4.636 4.340 -0.000 0.000 0.318 2107 R C -0.569 175.838 176.300 0.178 0.000 1.055 2107 R CA 0.023 56.226 56.100 0.172 0.000 0.968 2107 R CB 0.325 30.634 30.300 0.014 0.000 0.974 2107 R HN 0.727 nan 8.270 nan 0.000 0.439 2108 A N 4.912 127.877 122.820 0.242 0.000 3.204 2108 A HA 0.266 4.586 4.320 -0.000 0.000 0.327 2108 A C -1.159 176.637 177.584 0.353 0.000 0.998 2108 A CA -0.566 51.565 52.037 0.158 0.000 0.891 2108 A CB 0.226 19.105 19.000 -0.201 0.000 1.061 2108 A HN 0.558 nan 8.150 nan 0.000 0.478 2109 Y N 0.345 120.726 120.300 0.135 0.000 2.354 2109 Y HA 0.369 4.919 4.550 -0.000 0.000 0.322 2109 Y C 1.195 177.198 175.900 0.172 0.000 1.253 2109 Y CA -0.971 57.225 58.100 0.160 0.000 1.272 2109 Y CB 0.869 39.402 38.460 0.121 0.000 1.255 2109 Y HN 0.322 nan 8.280 nan 0.000 0.500 2110 L N 0.172 121.551 121.223 0.259 0.000 2.515 2110 L HA 0.287 4.627 4.340 -0.000 0.000 0.223 2110 L C 0.254 177.114 176.870 -0.017 0.000 1.079 2110 L CA 0.776 55.690 54.840 0.123 0.000 0.857 2110 L CB -0.568 41.501 42.059 0.016 0.000 1.050 2110 L HN 0.686 nan 8.230 nan 0.000 0.476 2114 R N 0.492 120.996 120.500 0.006 0.000 2.513 2114 R HA 0.483 4.823 4.340 -0.000 0.000 0.333 2114 R C 0.203 176.513 176.300 0.016 0.000 0.925 2114 R CA 0.821 56.925 56.100 0.007 0.000 1.072 2114 R CB -1.082 29.219 30.300 0.002 0.000 0.914 2114 R HN 0.462 nan 8.270 nan 0.000 0.408 2115 T N 2.828 117.396 114.554 0.024 0.000 3.583 2115 T HA 0.234 4.584 4.350 -0.000 0.000 0.266 2115 T C 0.062 174.782 174.700 0.032 0.000 1.296 2115 T CA 0.303 62.421 62.100 0.029 0.000 1.668 2115 T CB 0.077 68.968 68.868 0.038 0.000 0.832 2115 T HN 0.903 nan 8.240 nan 0.000 0.649 2120 K N 3.241 123.432 120.400 -0.347 0.000 2.504 2120 K HA 0.549 4.869 4.320 -0.000 0.000 0.195 2120 K C 1.042 177.206 176.600 -0.728 0.000 1.036 2120 K CA 1.487 57.540 56.287 -0.389 0.000 0.984 2120 K CB -0.647 31.746 32.500 -0.178 0.000 0.788 2120 K HN 2.065 nan 8.250 nan 0.000 0.488 2121 G N -1.288 106.474 108.800 -1.730 0.000 2.570 2121 G HA2 0.017 3.977 3.960 -0.000 0.000 0.686 2121 G HA3 0.017 3.977 3.960 -0.000 0.000 0.686 2121 G C 0.162 174.363 174.900 -1.165 0.000 1.257 2121 G CA -0.135 43.917 45.100 -1.746 0.000 0.846 2121 G HN 0.739 nan 8.290 nan 0.000 0.627 2122 L N 0.680 121.567 121.223 -0.561 0.000 2.131 2122 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 2122 L C 2.707 179.568 176.870 -0.016 0.000 1.092 2122 L CA 2.349 57.244 54.840 0.091 0.000 0.759 2122 L CB -0.554 41.643 42.059 0.229 0.000 0.903 2122 L HN 0.646 nan 8.230 nan 0.000 0.435 2123 I N -0.958 119.541 120.570 -0.118 0.000 2.286 2123 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 2123 I C 1.839 177.914 176.117 -0.071 0.000 1.104 2123 I CA 1.451 62.687 61.300 -0.106 0.000 1.397 2123 I CB -0.340 37.581 38.000 -0.133 0.000 1.072 2123 I HN 0.337 nan 8.210 nan 0.000 0.417 2124 N N -0.080 118.568 118.700 -0.086 0.000 2.220 2124 N HA -0.110 4.630 4.740 -0.000 0.000 0.182 2124 N C 0.530 176.033 175.510 -0.011 0.000 1.023 2124 N CA 0.753 53.815 53.050 0.020 0.000 0.856 2124 N CB 0.236 38.765 38.487 0.070 0.000 0.997 2124 N HN 0.083 nan 8.380 nan 0.000 0.429 2125 D N 0.026 120.371 120.400 -0.091 0.000 2.634 2125 D HA 0.168 4.808 4.640 -0.000 0.000 0.318 2125 D C -1.925 174.532 176.300 0.261 0.000 1.226 2125 D CA -2.383 51.623 54.000 0.011 0.000 0.899 2125 D CB 0.726 41.517 40.800 -0.015 0.000 1.025 2125 D HN 0.069 nan 8.370 nan 0.000 0.501 2126 P HA -0.092 nan 4.420 nan 0.000 0.220 2126 P C 0.466 177.868 177.300 0.171 0.000 1.148 2126 P CA 0.841 64.058 63.100 0.194 0.000 0.803 2126 P CB 0.575 32.330 31.700 0.092 0.000 0.782 2127 D N -0.487 119.983 120.400 0.117 0.000 2.349 2127 D HA 0.032 4.672 4.640 -0.000 0.000 0.224 2127 D C 0.616 176.946 176.300 0.050 0.000 1.029 2127 D CA 0.130 54.168 54.000 0.063 0.000 0.879 2127 D CB -0.030 40.788 40.800 0.031 0.000 0.906 2127 D HN -0.105 nan 8.370 nan 0.000 0.528 2128 V N 1.962 121.953 119.914 0.129 0.000 5.479 2128 V HA -0.297 3.823 4.120 -0.000 0.000 0.289 2128 V C 0.566 176.656 176.094 -0.008 0.000 0.595 2128 V CA 1.454 63.767 62.300 0.020 0.000 0.649 2128 V CB -2.460 29.201 31.823 -0.270 0.000 0.390 2128 V HN 0.583 nan 8.190 nan 0.000 0.974 2129 N N -1.025 117.685 118.700 0.017 0.000 2.466 2129 N HA 0.361 5.101 4.740 -0.000 0.000 0.272 2129 N C 0.527 176.012 175.510 -0.043 0.000 1.455 2129 N CA 0.323 53.364 53.050 -0.016 0.000 0.875 2129 N CB 0.456 38.933 38.487 -0.015 0.000 1.372 2129 N HN 1.120 nan 8.380 nan 0.000 0.492 2130 N N -0.140 118.527 118.700 -0.056 0.000 2.721 2130 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 2130 N C 0.232 175.575 175.510 -0.278 0.000 1.072 2130 N CA 1.708 54.669 53.050 -0.148 0.000 0.710 2130 N CB -2.475 35.971 38.487 -0.068 0.000 0.993 2130 N HN 0.797 nan 8.380 nan 0.000 0.547 2131 T N -4.165 110.192 114.554 -0.329 0.000 2.807 2131 T HA 0.857 5.207 4.350 -0.000 0.000 0.277 2131 T C -0.549 173.801 174.700 -0.583 0.000 1.006 2131 T CA -0.678 61.232 62.100 -0.316 0.000 1.006 2131 T CB 1.599 70.418 68.868 -0.081 0.000 1.274 2131 T HN 0.639 nan 8.240 nan 0.000 0.569 2132 F N 0.876 120.836 119.950 0.016 0.000 2.547 2132 F HA 0.652 5.179 4.527 -0.000 0.000 0.316 2132 F C 0.215 176.015 175.800 -0.000 0.000 1.121 2132 F CA -0.863 57.138 58.000 0.001 0.000 0.911 2132 F CB 2.018 41.011 39.000 -0.012 0.000 1.179 2132 F HN 0.615 nan 8.300 nan 0.000 0.443 2133 N N 3.752 122.546 118.700 0.156 0.000 2.824 2133 N HA 0.251 4.991 4.740 -0.000 0.000 0.224 2133 N C 0.254 175.792 175.510 0.047 0.000 1.418 2133 N CA -0.009 53.092 53.050 0.085 0.000 0.743 2133 N CB 0.335 38.854 38.487 0.053 0.000 1.395 2133 N HN 0.639 nan 8.380 nan 0.000 0.548 2134 I N 0.434 121.028 120.570 0.040 0.000 2.286 2134 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 2134 I C 1.809 177.884 176.117 -0.070 0.000 1.115 2134 I CA 0.655 61.942 61.300 -0.021 0.000 1.392 2134 I CB 0.001 37.983 38.000 -0.031 0.000 1.065 2134 I HN 0.405 nan 8.210 nan 0.000 0.418 2135 N N 1.099 119.774 118.700 -0.041 0.000 2.104 2135 N HA -0.232 4.508 4.740 -0.000 0.000 0.190 2135 N C 1.849 177.331 175.510 -0.047 0.000 1.024 2135 N CA 1.345 54.365 53.050 -0.050 0.000 0.853 2135 N CB -0.224 38.258 38.487 -0.009 0.000 1.008 2135 N HN 0.406 nan 8.380 nan 0.000 0.424 2136 K N 0.609 120.996 120.400 -0.020 0.000 2.155 2136 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 2136 K C 2.001 178.587 176.600 -0.024 0.000 1.052 2136 K CA 1.107 57.387 56.287 -0.011 0.000 0.948 2136 K CB -0.209 32.297 32.500 0.010 0.000 0.728 2136 K HN 0.091 nan 8.250 nan 0.000 0.448 2137 G N 1.554 110.334 108.800 -0.034 0.000 2.421 2137 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 2137 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 2137 G C 1.472 176.311 174.900 -0.101 0.000 1.171 2137 G CA 0.669 45.743 45.100 -0.044 0.000 0.775 2137 G HN 0.206 nan 8.290 nan 0.000 0.543 2138 L N -0.030 121.092 121.223 -0.167 0.000 2.083 2138 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 2138 L C 3.175 179.952 176.870 -0.155 0.000 1.083 2138 L CA 1.219 55.906 54.840 -0.254 0.000 0.752 2138 L CB -0.450 41.332 42.059 -0.462 0.000 0.899 2138 L HN 0.312 nan 8.230 nan 0.000 0.433 2139 Q N -0.590 119.157 119.800 -0.089 0.000 2.046 2139 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 2139 Q C 2.430 178.410 176.000 -0.032 0.000 0.975 2139 Q CA 1.799 57.579 55.803 -0.038 0.000 0.836 2139 Q CB -0.148 28.582 28.738 -0.013 0.000 0.896 2139 Q HN 0.433 nan 8.270 nan 0.000 0.428 2140 S N 1.116 116.799 115.700 -0.028 0.000 2.368 2140 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 2140 S C 2.131 176.718 174.600 -0.021 0.000 1.030 2140 S CA 1.028 59.226 58.200 -0.003 0.000 0.999 2140 S CB -0.357 62.856 63.200 0.022 0.000 0.844 2140 S HN 0.493 nan 8.310 nan 0.000 0.459 2141 A N 1.911 124.678 122.820 -0.090 0.000 1.877 2141 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 2141 A C 2.126 179.524 177.584 -0.309 0.000 1.186 2141 A CA 1.708 53.616 52.037 -0.215 0.000 0.620 2141 A CB -0.580 18.220 19.000 -0.333 0.000 0.822 2141 A HN 0.427 nan 8.150 nan 0.000 0.443 2142 R N -1.101 119.269 120.500 -0.217 0.000 2.075 2142 R HA -0.193 4.146 4.340 -0.000 0.000 0.232 2142 R C 2.441 178.754 176.300 0.022 0.000 1.126 2142 R CA 1.813 57.840 56.100 -0.121 0.000 0.963 2142 R CB -0.260 30.018 30.300 -0.037 0.000 0.858 2142 R HN 0.542 nan 8.270 nan 0.000 0.435 2143 Q N 0.736 120.550 119.800 0.024 0.000 2.061 2143 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 2143 Q C 1.960 178.021 176.000 0.102 0.000 0.984 2143 Q CA 1.746 57.583 55.803 0.057 0.000 0.846 2143 Q CB -0.462 28.299 28.738 0.038 0.000 0.902 2143 Q HN 0.355 nan 8.270 nan 0.000 0.421 2144 L N -0.454 120.844 121.223 0.124 0.000 1.990 2144 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 2144 L C 1.927 178.979 176.870 0.304 0.000 1.072 2144 L CA 1.928 56.886 54.840 0.196 0.000 0.755 2144 L CB -0.957 41.245 42.059 0.238 0.000 0.889 2144 L HN 0.243 nan 8.230 nan 0.000 0.432 2145 F N -0.750 119.215 119.950 0.025 0.000 2.126 2145 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 2145 F C 2.493 178.304 175.800 0.018 0.000 1.096 2145 F CA 1.420 59.432 58.000 0.020 0.000 1.255 2145 F CB -1.315 37.694 39.000 0.016 0.000 0.997 2145 F HN -0.047 nan 8.300 nan 0.000 0.479 2146 V N 0.279 120.324 119.914 0.219 0.000 2.270 2146 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 2146 V C 2.229 178.372 176.094 0.083 0.000 1.043 2146 V CA 1.897 64.270 62.300 0.121 0.000 1.014 2146 V CB -0.739 31.140 31.823 0.093 0.000 0.645 2146 V HN 0.259 nan 8.190 nan 0.000 0.447 2147 N N 0.508 119.258 118.700 0.084 0.000 2.060 2147 N HA -0.196 4.544 4.740 -0.000 0.000 0.195 2147 N C 1.743 177.277 175.510 0.040 0.000 1.028 2147 N CA 1.757 54.841 53.050 0.056 0.000 0.861 2147 N CB -0.625 37.897 38.487 0.057 0.000 1.029 2147 N HN 0.409 nan 8.380 nan 0.000 0.428 2148 L N 0.311 121.560 121.223 0.043 0.000 2.005 2148 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 2148 L C 2.477 179.344 176.870 -0.004 0.000 1.072 2148 L CA 1.661 56.509 54.840 0.013 0.000 0.744 2148 L CB -1.180 40.874 42.059 -0.009 0.000 0.895 2148 L HN 0.317 nan 8.230 nan 0.000 0.433 2149 T N -3.534 111.016 114.554 -0.006 0.000 2.962 2149 T HA -0.197 4.153 4.350 -0.000 0.000 0.270 2149 T C 1.627 176.330 174.700 0.004 0.000 1.088 2149 T CA 1.302 63.395 62.100 -0.011 0.000 1.127 2149 T CB -0.653 68.210 68.868 -0.008 0.000 0.883 2149 T HN 0.355 nan 8.240 nan 0.000 0.493 2150 N N 1.704 120.413 118.700 0.015 0.000 2.364 2150 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 2150 N C 1.688 177.202 175.510 0.007 0.000 1.022 2150 N CA 1.329 54.388 53.050 0.015 0.000 0.883 2150 N CB -0.190 38.310 38.487 0.022 0.000 0.965 2150 N HN 0.775 nan 8.380 nan 0.000 0.438 2151 I N -3.721 116.849 120.570 0.001 0.000 3.861 2151 I HA 0.383 4.552 4.170 -0.000 0.000 0.329 2151 I C 0.896 177.008 176.117 -0.008 0.000 1.321 2151 I CA 0.173 61.470 61.300 -0.005 0.000 1.126 2151 I CB 0.084 38.077 38.000 -0.011 0.000 1.018 2151 I HN -0.012 nan 8.210 nan 0.000 0.407 2152 G N 2.057 110.853 108.800 -0.006 0.000 2.136 2152 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.242 2152 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.242 2152 G C -0.323 174.570 174.900 -0.012 0.000 0.989 2152 G CA 0.230 45.326 45.100 -0.008 0.000 0.682 2152 G HN 0.426 nan 8.290 nan 0.000 0.522 2153 L N 1.682 122.896 121.223 -0.016 0.000 2.277 2153 L HA 0.662 5.002 4.340 -0.000 0.000 0.284 2153 L C -2.035 174.816 176.870 -0.032 0.000 1.028 2153 L CA -2.328 52.501 54.840 -0.019 0.000 0.835 2153 L CB 1.148 43.199 42.059 -0.014 0.000 1.215 2153 L HN -0.127 nan 8.230 nan 0.000 0.425 2154 P HA 0.204 nan 4.420 nan 0.000 0.269 2154 P C -0.871 176.383 177.300 -0.076 0.000 1.209 2154 P CA 0.124 63.193 63.100 -0.052 0.000 0.776 2154 P CB 0.523 32.202 31.700 -0.035 0.000 0.876 2155 I N -1.269 119.222 120.570 -0.132 0.000 2.892 2155 I HA 0.924 5.094 4.170 -0.000 0.000 0.306 2155 I C -0.322 175.698 176.117 -0.161 0.000 1.078 2155 I CA -1.093 60.099 61.300 -0.181 0.000 1.032 2155 I CB 2.616 40.396 38.000 -0.367 0.000 1.229 2155 I HN 0.341 nan 8.210 nan 0.000 0.435 2156 G N 1.333 110.094 108.800 -0.064 0.000 2.571 2156 G HA2 0.643 4.603 3.960 -0.000 0.000 0.304 2156 G HA3 0.643 4.603 3.960 -0.000 0.000 0.304 2156 G C -1.667 173.247 174.900 0.023 0.000 1.314 2156 G CA -0.565 44.609 45.100 0.124 0.000 0.975 2156 G HN 0.784 nan 8.290 nan 0.000 0.485 2157 S N -0.590 115.006 115.700 -0.172 0.000 2.625 2157 S HA 0.528 4.998 4.470 -0.000 0.000 0.271 2157 S C -1.206 172.959 174.600 -0.725 0.000 1.161 2157 S CA -0.667 57.180 58.200 -0.589 0.000 0.820 2157 S CB 1.901 65.006 63.200 -0.159 0.000 1.137 2157 S HN 0.713 nan 8.310 nan 0.000 0.470 2158 E N 1.765 121.380 120.200 -0.974 0.000 2.313 2158 E HA 0.263 4.613 4.350 -0.000 0.000 0.276 2158 E C -0.611 175.854 176.600 -0.225 0.000 1.031 2158 E CA -0.487 55.633 56.400 -0.468 0.000 0.857 2158 E CB 0.513 30.069 29.700 -0.240 0.000 1.040 2158 E HN 0.507 nan 8.360 nan 0.000 0.408 2159 M N 6.262 125.772 119.600 -0.150 0.000 2.261 2159 M HA 0.084 4.564 4.480 -0.000 0.000 0.349 2159 M C 0.304 176.611 176.300 0.012 0.000 1.305 2159 M CA -0.122 55.141 55.300 -0.062 0.000 1.240 2159 M CB 0.146 32.701 32.600 -0.075 0.000 1.394 2159 M HN 0.590 nan 8.290 nan 0.000 0.438 2160 L N 1.651 122.881 121.223 0.013 0.000 2.005 2160 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 2160 L C 0.791 177.732 176.870 0.119 0.000 1.072 2160 L CA 1.694 56.577 54.840 0.071 0.000 0.744 2160 L CB -0.762 41.309 42.059 0.019 0.000 0.895 2160 L HN 0.656 nan 8.230 nan 0.000 0.433 2161 D N -4.355 116.034 120.400 -0.018 0.000 2.837 2161 D HA 0.289 4.929 4.640 -0.000 0.000 0.294 2161 D C 0.552 176.760 176.300 -0.153 0.000 1.158 2161 D CA 0.042 53.976 54.000 -0.111 0.000 1.073 2161 D CB 0.409 41.189 40.800 -0.033 0.000 1.419 2161 D HN -0.062 nan 8.370 nan 0.000 0.584 2162 T N -2.518 111.958 114.554 -0.130 0.000 3.107 2162 T HA 0.248 4.598 4.350 -0.000 0.000 0.249 2162 T C 1.345 176.043 174.700 -0.003 0.000 1.096 2162 T CA 0.121 62.173 62.100 -0.079 0.000 1.012 2162 T CB -0.450 68.386 68.868 -0.053 0.000 0.977 2162 T HN 0.405 nan 8.240 nan 0.000 0.527 2163 I N 1.626 122.210 120.570 0.025 0.000 2.899 2163 I HA 0.018 4.188 4.170 -0.000 0.000 0.257 2163 I C 2.813 179.048 176.117 0.196 0.000 1.115 2163 I CA 0.725 62.082 61.300 0.095 0.000 1.451 2163 I CB -0.211 37.855 38.000 0.111 0.000 1.251 2163 I HN 0.275 nan 8.210 nan 0.000 0.456 2164 S N 1.742 117.528 115.700 0.144 0.000 2.383 2164 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 2164 S C -0.462 174.253 174.600 0.192 0.000 1.030 2164 S CA 1.107 59.401 58.200 0.157 0.000 1.002 2164 S CB -1.996 61.203 63.200 -0.003 0.000 0.829 2164 S HN 0.202 nan 8.310 nan 0.000 0.467 2165 P HA -0.089 nan 4.420 nan 0.000 0.216 2165 P C 1.684 179.048 177.300 0.107 0.000 1.150 2165 P CA 1.194 64.356 63.100 0.104 0.000 0.837 2165 P CB -0.185 31.559 31.700 0.073 0.000 0.786 2166 Q N -1.744 118.092 119.800 0.060 0.000 2.308 2166 Q HA -0.190 4.150 4.340 -0.000 0.000 0.209 2166 Q C 1.586 177.512 176.000 -0.122 0.000 0.985 2166 Q CA 1.512 57.275 55.803 -0.066 0.000 0.881 2166 Q CB -0.598 28.028 28.738 -0.187 0.000 0.917 2166 Q HN 0.489 nan 8.270 nan 0.000 0.443 2167 Y N -0.992 119.294 120.300 -0.023 0.000 2.523 2167 Y HA 0.037 4.587 4.550 -0.000 0.000 0.279 2167 Y C 1.821 177.690 175.900 -0.052 0.000 1.139 2167 Y CA 0.505 58.580 58.100 -0.042 0.000 1.296 2167 Y CB 0.418 38.835 38.460 -0.072 0.000 1.045 2167 Y HN -0.001 nan 8.280 nan 0.000 0.538 2168 L N -2.557 118.733 121.223 0.112 0.000 2.948 2168 L HA 0.357 4.697 4.340 -0.000 0.000 0.259 2168 L C 2.305 179.289 176.870 0.191 0.000 1.136 2168 L CA 0.472 55.373 54.840 0.102 0.000 0.959 2168 L CB -0.410 41.633 42.059 -0.026 0.000 1.370 2168 L HN -0.019 nan 8.230 nan 0.000 0.552 2169 A N 1.984 124.913 122.820 0.182 0.000 1.929 2169 A HA -0.324 3.996 4.320 -0.000 0.000 0.221 2169 A C 1.948 179.666 177.584 0.224 0.000 1.211 2169 A CA 2.565 54.759 52.037 0.262 0.000 0.657 2169 A CB -0.769 18.372 19.000 0.236 0.000 0.827 2169 A HN 0.654 nan 8.150 nan 0.000 0.462 2170 D N -0.081 120.409 120.400 0.150 0.000 2.309 2170 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 2170 D C 1.466 177.827 176.300 0.102 0.000 0.968 2170 D CA 1.236 55.307 54.000 0.118 0.000 0.882 2170 D CB -0.457 40.392 40.800 0.081 0.000 0.918 2170 D HN 0.544 nan 8.370 nan 0.000 0.503 2171 L N 0.159 121.452 121.223 0.118 0.000 2.616 2171 L HA 0.178 4.518 4.340 -0.000 0.000 0.229 2171 L C 0.460 177.311 176.870 -0.031 0.000 1.110 2171 L CA -0.211 54.682 54.840 0.088 0.000 0.884 2171 L CB 0.764 42.944 42.059 0.202 0.000 1.115 2171 L HN -0.188 nan 8.230 nan 0.000 0.481 2172 V N -0.728 119.117 119.914 -0.114 0.000 2.567 2172 V HA 0.177 4.297 4.120 -0.000 0.000 0.289 2172 V C 0.937 176.724 176.094 -0.510 0.000 1.049 2172 V CA 0.087 62.139 62.300 -0.414 0.000 0.969 2172 V CB 1.693 33.094 31.823 -0.703 0.000 0.995 2172 V HN 0.094 nan 8.190 nan 0.000 0.471 2173 S N 2.347 117.812 115.700 -0.393 0.000 2.520 2173 S HA 0.347 4.816 4.470 -0.000 0.000 0.219 2173 S C -0.260 174.306 174.600 -0.057 0.000 1.028 2173 S CA 0.031 58.130 58.200 -0.168 0.000 0.921 2173 S CB 0.250 63.425 63.200 -0.041 0.000 0.844 2173 S HN 0.652 nan 8.310 nan 0.000 0.495 2174 F N 0.648 120.365 119.950 -0.388 0.000 2.615 2174 F HA 0.667 5.194 4.527 -0.000 0.000 0.312 2174 F C -0.652 175.032 175.800 -0.193 0.000 1.119 2174 F CA -0.568 57.359 58.000 -0.122 0.000 0.979 2174 F CB 0.902 39.910 39.000 0.014 0.000 1.266 2174 F HN -0.044 nan 8.300 nan 0.000 0.444 2175 G N 2.723 111.000 108.800 -0.872 0.000 2.542 2175 G HA2 0.779 4.739 3.960 -0.000 0.000 0.311 2175 G HA3 0.779 4.739 3.960 -0.000 0.000 0.311 2175 G C -2.020 172.174 174.900 -1.176 0.000 1.298 2175 G CA -0.631 44.058 45.100 -0.685 0.000 0.973 2175 G HN 1.065 nan 8.290 nan 0.000 0.487 2176 A N 1.673 124.060 122.820 -0.721 0.000 2.386 2176 A HA 0.751 5.071 4.320 -0.000 0.000 0.311 2176 A C -0.741 176.644 177.584 -0.332 0.000 1.068 2176 A CA -0.611 51.138 52.037 -0.479 0.000 0.743 2176 A CB 1.244 20.245 19.000 0.002 0.000 1.258 2176 A HN 0.550 nan 8.150 nan 0.000 0.429 2177 I N 2.607 122.950 120.570 -0.378 0.000 2.339 2177 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 2177 I C 1.169 177.227 176.117 -0.099 0.000 0.994 2177 I CA -0.130 61.016 61.300 -0.256 0.000 1.191 2177 I CB 0.575 38.342 38.000 -0.388 0.000 1.343 2177 I HN 0.806 nan 8.210 nan 0.000 0.458 2178 G N 4.020 112.778 108.800 -0.069 0.000 2.630 2178 G HA2 0.244 4.204 3.960 -0.000 0.000 0.236 2178 G HA3 0.244 4.204 3.960 -0.000 0.000 0.236 2178 G C 0.999 175.875 174.900 -0.040 0.000 1.248 2178 G CA 0.222 45.296 45.100 -0.044 0.000 0.844 2178 G HN 0.807 nan 8.290 nan 0.000 0.588 2179 A N 1.561 124.364 122.820 -0.028 0.000 1.972 2179 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 2179 A C 2.701 180.267 177.584 -0.030 0.000 1.169 2179 A CA 2.384 54.415 52.037 -0.010 0.000 0.635 2179 A CB -0.598 18.398 19.000 -0.005 0.000 0.810 2179 A HN 1.107 nan 8.150 nan 0.000 0.446 2180 R N -0.226 120.242 120.500 -0.053 0.000 2.307 2180 R HA 0.065 4.405 4.340 -0.000 0.000 0.199 2180 R C 1.673 177.904 176.300 -0.114 0.000 1.000 2180 R CA 1.902 57.964 56.100 -0.064 0.000 1.023 2180 R CB -1.438 28.830 30.300 -0.054 0.000 0.908 2180 R HN 0.876 nan 8.270 nan 0.000 0.473 2181 T N -6.134 108.318 114.554 -0.170 0.000 3.058 2181 T HA 0.078 4.428 4.350 -0.000 0.000 0.278 2181 T C 1.540 176.126 174.700 -0.190 0.000 0.974 2181 T CA 0.639 62.546 62.100 -0.322 0.000 0.893 2181 T CB 0.367 68.763 68.868 -0.787 0.000 1.138 2181 T HN 0.137 nan 8.240 nan 0.000 0.529 2182 T N 2.554 117.085 114.554 -0.038 0.000 2.881 2182 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 2182 T C 1.587 176.283 174.700 -0.007 0.000 1.068 2182 T CA 1.387 63.545 62.100 0.097 0.000 1.131 2182 T CB -0.187 68.748 68.868 0.112 0.000 0.871 2182 T HN 0.550 nan 8.240 nan 0.000 0.479 2183 E N 0.754 120.929 120.200 -0.042 0.000 2.385 2183 E HA 0.090 4.439 4.350 -0.000 0.000 0.194 2183 E C 0.858 177.433 176.600 -0.042 0.000 1.013 2183 E CA -0.215 56.154 56.400 -0.052 0.000 0.866 2183 E CB 0.212 29.887 29.700 -0.041 0.000 0.832 2183 E HN 0.199 nan 8.360 nan 0.000 0.500 2184 S N 1.135 116.814 115.700 -0.035 0.000 2.515 2184 S HA -0.070 4.400 4.470 -0.000 0.000 0.285 2184 S C 0.971 175.590 174.600 0.030 0.000 1.265 2184 S CA -0.219 57.992 58.200 0.019 0.000 1.079 2184 S CB 1.112 64.355 63.200 0.072 0.000 0.877 2184 S HN 0.097 nan 8.310 nan 0.000 0.493 2185 Q N 4.696 124.486 119.800 -0.016 0.000 2.124 2185 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 2185 Q C 1.747 177.650 176.000 -0.162 0.000 0.977 2185 Q CA 1.831 57.585 55.803 -0.082 0.000 0.850 2185 Q CB -0.390 28.314 28.738 -0.058 0.000 0.901 2185 Q HN 0.916 nan 8.270 nan 0.000 0.429 2186 L N -0.550 120.612 121.223 -0.102 0.000 2.043 2186 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 2186 L C 1.852 178.530 176.870 -0.321 0.000 1.075 2186 L CA 1.769 56.475 54.840 -0.223 0.000 0.752 2186 L CB -0.197 41.791 42.059 -0.118 0.000 0.891 2186 L HN 0.430 nan 8.230 nan 0.000 0.432 2187 H N -1.505 117.470 119.070 -0.159 0.000 2.482 2187 H HA 0.006 4.562 4.556 -0.000 0.000 0.286 2187 H C 2.258 177.546 175.328 -0.068 0.000 1.017 2187 H CA 0.784 56.771 56.048 -0.102 0.000 1.322 2187 H CB 0.093 29.845 29.762 -0.017 0.000 1.426 2187 H HN 0.176 nan 8.280 nan 0.000 0.546 2188 R N 0.555 121.053 120.500 -0.004 0.000 2.115 2188 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 2188 R C 1.780 177.870 176.300 -0.350 0.000 1.111 2188 R CA 1.263 57.309 56.100 -0.089 0.000 0.976 2188 R CB 0.028 30.196 30.300 -0.220 0.000 0.870 2188 R HN 0.510 nan 8.270 nan 0.000 0.445 2189 E N 0.662 120.508 120.200 -0.590 0.000 2.072 2189 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 2189 E C 1.912 178.210 176.600 -0.505 0.000 0.985 2189 E CA 0.831 56.718 56.400 -0.855 0.000 0.801 2189 E CB -0.099 28.827 29.700 -1.289 0.000 0.750 2189 E HN 0.094 nan 8.360 nan 0.000 0.452 2190 L N 1.345 122.315 121.223 -0.421 0.000 2.017 2190 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 2190 L C 2.277 179.053 176.870 -0.156 0.000 1.073 2190 L CA 2.144 56.844 54.840 -0.233 0.000 0.745 2190 L CB -0.742 41.164 42.059 -0.254 0.000 0.894 2190 L HN 0.049 nan 8.230 nan 0.000 0.432 2191 A N -0.684 122.055 122.820 -0.135 0.000 1.948 2191 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 2191 A C 2.437 179.967 177.584 -0.090 0.000 1.177 2191 A CA 2.243 54.209 52.037 -0.118 0.000 0.636 2191 A CB -1.279 17.738 19.000 0.028 0.000 0.815 2191 A HN 0.714 nan 8.150 nan 0.000 0.449 2192 S N -1.131 114.541 115.700 -0.046 0.000 2.507 2192 S HA 0.125 4.595 4.470 -0.000 0.000 0.235 2192 S C 1.502 176.113 174.600 0.018 0.000 0.988 2192 S CA 1.127 59.336 58.200 0.016 0.000 0.944 2192 S CB -0.427 62.855 63.200 0.137 0.000 0.762 2192 S HN 0.741 nan 8.310 nan 0.000 0.526 2193 G N 0.347 109.140 108.800 -0.011 0.000 3.192 2193 G HA2 0.435 4.395 3.960 -0.000 0.000 0.239 2193 G HA3 0.435 4.395 3.960 -0.000 0.000 0.239 2193 G C 0.146 174.976 174.900 -0.116 0.000 1.084 2193 G CA -0.506 44.588 45.100 -0.011 0.000 0.784 2193 G HN 0.430 nan 8.290 nan 0.000 0.540 2194 L N 1.173 122.251 121.223 -0.241 0.000 2.371 2194 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 2194 L C 1.076 177.630 176.870 -0.527 0.000 1.124 2194 L CA -0.455 54.078 54.840 -0.512 0.000 0.816 2194 L CB 1.742 43.297 42.059 -0.839 0.000 1.129 2194 L HN -0.058 nan 8.230 nan 0.000 0.448 2195 S N 2.422 117.812 115.700 -0.517 0.000 2.754 2195 S HA 0.178 4.648 4.470 -0.000 0.000 0.223 2195 S C -0.322 174.252 174.600 -0.043 0.000 0.951 2195 S CA 0.050 58.140 58.200 -0.183 0.000 0.954 2195 S CB -0.717 62.493 63.200 0.018 0.000 0.780 2195 S HN 0.460 nan 8.310 nan 0.000 0.509 2196 F N -1.799 118.180 119.950 0.048 0.000 2.715 2196 F HA 0.703 5.230 4.527 -0.000 0.000 0.318 2196 F C -3.441 172.404 175.800 0.073 0.000 1.141 2196 F CA -3.437 54.598 58.000 0.059 0.000 0.950 2196 F CB -0.127 38.895 39.000 0.037 0.000 1.374 2196 F HN -0.357 nan 8.300 nan 0.000 0.477 2197 P HA 0.336 nan 4.420 nan 0.000 0.271 2197 P C -1.125 176.274 177.300 0.165 0.000 1.218 2197 P CA -0.181 63.126 63.100 0.344 0.000 0.780 2197 P CB 1.188 33.181 31.700 0.488 0.000 0.901 2198 V N 2.294 122.154 119.914 -0.090 0.000 2.638 2198 V HA 0.674 4.794 4.120 -0.000 0.000 0.306 2198 V C 0.428 176.018 176.094 -0.839 0.000 1.052 2198 V CA -0.530 61.480 62.300 -0.483 0.000 0.885 2198 V CB 2.115 33.654 31.823 -0.473 0.000 0.999 2198 V HN 0.696 nan 8.190 nan 0.000 0.424 2199 G N 2.869 111.067 108.800 -1.002 0.000 2.417 2199 G HA2 0.677 4.637 3.960 -0.000 0.000 0.320 2199 G HA3 0.677 4.637 3.960 -0.000 0.000 0.320 2199 G C -1.268 173.295 174.900 -0.562 0.000 1.204 2199 G CA -0.325 44.177 45.100 -0.997 0.000 0.923 2199 G HN 0.405 nan 8.290 nan 0.000 0.466 2200 F N 1.602 121.405 119.950 -0.246 0.000 2.404 2200 F HA 0.386 4.913 4.527 -0.000 0.000 0.354 2200 F C 0.956 176.741 175.800 -0.025 0.000 1.122 2200 F CA -0.610 57.323 58.000 -0.111 0.000 1.080 2200 F CB 1.996 40.939 39.000 -0.095 0.000 1.131 2200 F HN 0.139 nan 8.300 nan 0.000 0.471 2201 K N 3.666 124.155 120.400 0.149 0.000 2.185 2201 K HA 0.150 4.470 4.320 -0.000 0.000 0.271 2201 K C 0.251 176.918 176.600 0.112 0.000 1.013 2201 K CA -0.650 55.711 56.287 0.123 0.000 0.943 2201 K CB 0.614 33.158 32.500 0.074 0.000 0.998 2201 K HN 0.718 nan 8.250 nan 0.000 0.468 2202 N N 0.390 119.150 118.700 0.101 0.000 2.340 2202 N HA -0.018 4.722 4.740 -0.000 0.000 0.236 2202 N C 0.304 175.845 175.510 0.052 0.000 1.296 2202 N CA -0.508 52.587 53.050 0.074 0.000 0.896 2202 N CB 0.352 38.884 38.487 0.075 0.000 1.127 2202 N HN 0.526 nan 8.380 nan 0.000 0.442 2203 G N -0.692 108.129 108.800 0.034 0.000 2.614 2203 G HA2 0.028 3.988 3.960 -0.000 0.000 0.239 2203 G HA3 0.028 3.988 3.960 -0.000 0.000 0.239 2203 G C 1.370 176.284 174.900 0.023 0.000 1.240 2203 G CA 0.129 45.241 45.100 0.020 0.000 0.842 2203 G HN 0.761 nan 8.290 nan 0.000 0.584 2204 T N -1.508 113.055 114.554 0.015 0.000 2.849 2204 T HA -0.198 4.152 4.350 -0.000 0.000 0.270 2204 T C 1.515 176.230 174.700 0.024 0.000 1.066 2204 T CA 1.797 63.908 62.100 0.019 0.000 1.130 2204 T CB -0.149 68.726 68.868 0.011 0.000 0.864 2204 T HN 0.634 nan 8.240 nan 0.000 0.481 2205 D N 0.995 121.406 120.400 0.019 0.000 2.349 2205 D HA 0.174 4.814 4.640 -0.000 0.000 0.224 2205 D C 1.646 177.960 176.300 0.022 0.000 1.029 2205 D CA 0.651 54.662 54.000 0.018 0.000 0.879 2205 D CB -0.605 40.202 40.800 0.012 0.000 0.906 2205 D HN 0.647 nan 8.370 nan 0.000 0.528 2206 G N 0.045 108.862 108.800 0.029 0.000 2.175 2206 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 2206 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 2206 G C 0.433 175.352 174.900 0.031 0.000 0.982 2206 G CA 0.254 45.375 45.100 0.034 0.000 0.641 2206 G HN 0.430 nan 8.290 nan 0.000 0.527 2207 T N 1.390 115.958 114.554 0.024 0.000 2.817 2207 T HA 0.363 4.713 4.350 -0.000 0.000 0.295 2207 T C 1.693 176.408 174.700 0.025 0.000 0.958 2207 T CA 0.201 62.313 62.100 0.020 0.000 1.157 2207 T CB 0.823 69.698 68.868 0.011 0.000 0.898 2207 T HN 0.162 nan 8.240 nan 0.000 0.536 2208 L N 4.187 125.427 121.223 0.027 0.000 2.209 2208 L HA 0.075 4.415 4.340 -0.000 0.000 0.207 2208 L C 2.450 179.333 176.870 0.022 0.000 1.094 2208 L CA 1.143 56.004 54.840 0.035 0.000 0.790 2208 L CB -0.608 41.476 42.059 0.042 0.000 0.932 2208 L HN 0.750 nan 8.230 nan 0.000 0.447 2209 N N 0.221 118.928 118.700 0.011 0.000 2.205 2209 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 2209 N C 1.629 177.126 175.510 -0.021 0.000 1.015 2209 N CA 1.572 54.621 53.050 -0.002 0.000 0.862 2209 N CB -0.481 38.005 38.487 -0.002 0.000 0.986 2209 N HN 0.322 nan 8.380 nan 0.000 0.429 2210 V N -1.359 118.542 119.914 -0.022 0.000 2.490 2210 V HA -0.010 4.110 4.120 -0.000 0.000 0.250 2210 V C 2.677 178.720 176.094 -0.085 0.000 1.061 2210 V CA 1.489 63.761 62.300 -0.048 0.000 1.064 2210 V CB -1.093 30.711 31.823 -0.032 0.000 0.670 2210 V HN 0.418 nan 8.190 nan 0.000 0.461 2211 A N 0.384 123.180 122.820 -0.040 0.000 1.898 2211 A HA 0.015 4.335 4.320 -0.000 0.000 0.214 2211 A C 2.345 179.881 177.584 -0.081 0.000 1.183 2211 A CA 1.713 53.728 52.037 -0.038 0.000 0.622 2211 A CB -0.717 18.327 19.000 0.073 0.000 0.824 2211 A HN 0.400 nan 8.150 nan 0.000 0.444 2212 V N 0.599 120.494 119.914 -0.031 0.000 2.343 2212 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 2212 V C 2.343 178.391 176.094 -0.078 0.000 1.051 2212 V CA 2.300 64.588 62.300 -0.021 0.000 1.036 2212 V CB -0.703 31.123 31.823 0.005 0.000 0.654 2212 V HN 0.580 nan 8.190 nan 0.000 0.451 2213 D N 0.127 120.468 120.400 -0.099 0.000 2.084 2213 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 2213 D C 2.243 178.409 176.300 -0.224 0.000 0.990 2213 D CA 1.720 55.650 54.000 -0.117 0.000 0.826 2213 D CB 0.098 40.842 40.800 -0.094 0.000 0.971 2213 D HN 0.399 nan 8.370 nan 0.000 0.453 2214 A N 0.498 123.083 122.820 -0.393 0.000 1.917 2214 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 2214 A C 2.700 179.810 177.584 -0.790 0.000 1.182 2214 A CA 1.679 53.242 52.037 -0.791 0.000 0.633 2214 A CB -1.073 17.057 19.000 -1.451 0.000 0.819 2214 A HN 0.448 nan 8.150 nan 0.000 0.448 2215 C N -0.955 118.040 119.300 -0.508 0.000 2.413 2215 C HA -0.113 4.347 4.460 -0.000 0.000 0.276 2215 C C 2.934 177.852 174.990 -0.119 0.000 1.248 2215 C CA 1.178 60.086 59.018 -0.184 0.000 1.742 2215 C CB -1.098 26.639 27.740 -0.005 0.000 2.017 2215 C HN 0.612 nan 8.230 nan 0.000 0.481 2216 Q N 0.848 120.582 119.800 -0.110 0.000 2.050 2216 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 2216 Q C 2.552 178.491 176.000 -0.101 0.000 0.980 2216 Q CA 2.036 57.813 55.803 -0.043 0.000 0.840 2216 Q CB -0.997 27.742 28.738 0.001 0.000 0.898 2216 Q HN 0.711 nan 8.270 nan 0.000 0.424 2217 A N 1.191 123.915 122.820 -0.160 0.000 1.902 2217 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 2217 A C 2.315 179.664 177.584 -0.393 0.000 1.181 2217 A CA 2.083 53.964 52.037 -0.259 0.000 0.623 2217 A CB -0.752 18.178 19.000 -0.116 0.000 0.818 2217 A HN 0.369 nan 8.150 nan 0.000 0.443 2218 A N -0.385 122.298 122.820 -0.228 0.000 2.070 2218 A HA 0.229 4.549 4.320 -0.000 0.000 0.220 2218 A C 2.329 179.859 177.584 -0.091 0.000 1.159 2218 A CA 1.693 53.674 52.037 -0.093 0.000 0.656 2218 A CB -0.767 18.285 19.000 0.087 0.000 0.800 2218 A HN 1.064 nan 8.150 nan 0.000 0.453 2219 A N -0.119 122.622 122.820 -0.132 0.000 2.121 2219 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 2219 A C 1.137 178.706 177.584 -0.025 0.000 1.154 2219 A CA 1.018 53.020 52.037 -0.058 0.000 0.679 2219 A CB -0.626 18.369 19.000 -0.008 0.000 0.795 2219 A HN 0.860 nan 8.150 nan 0.000 0.458 2220 H N -2.173 116.921 119.070 0.040 0.000 2.737 2220 H HA 0.576 5.132 4.556 -0.000 0.000 0.358 2220 H C -0.221 175.095 175.328 -0.020 0.000 1.187 2220 H CA -0.214 55.825 56.048 -0.015 0.000 1.221 2220 H CB 0.732 30.451 29.762 -0.072 0.000 1.799 2220 H HN 0.032 nan 8.280 nan 0.000 0.568 2221 S N 0.481 116.265 115.700 0.141 0.000 2.560 2221 S HA 0.052 4.522 4.470 -0.000 0.000 0.284 2221 S C -0.530 174.059 174.600 -0.018 0.000 1.327 2221 S CA -0.150 58.107 58.200 0.094 0.000 1.055 2221 S CB -0.312 62.926 63.200 0.064 0.000 0.868 2221 S HN 0.619 nan 8.310 nan 0.000 0.506 2222 H N 1.853 121.062 119.070 0.233 0.000 2.747 2222 H HA 0.351 4.907 4.556 -0.000 0.000 0.371 2222 H C -1.202 174.346 175.328 0.368 0.000 1.161 2222 H CA -0.532 55.705 56.048 0.315 0.000 1.167 2222 H CB 1.764 31.714 29.762 0.314 0.000 1.732 2222 H HN 0.824 nan 8.280 nan 0.000 0.544 2223 H N 2.446 121.737 119.070 0.369 0.000 2.906 2223 H HA 0.373 4.929 4.556 -0.000 0.000 0.324 2223 H C -1.428 174.049 175.328 0.248 0.000 0.973 2223 H CA -0.547 55.593 56.048 0.154 0.000 1.321 2223 H CB 0.199 30.002 29.762 0.069 0.000 1.535 2223 H HN 0.460 nan 8.280 nan 0.000 0.518 2224 F N 1.384 121.230 119.950 -0.174 0.000 2.831 2224 F HA 0.510 5.037 4.527 -0.000 0.000 0.318 2224 F C -1.513 174.190 175.800 -0.160 0.000 1.174 2224 F CA -1.485 56.445 58.000 -0.116 0.000 0.918 2224 F CB 1.186 40.168 39.000 -0.031 0.000 1.364 2224 F HN 0.218 nan 8.300 nan 0.000 0.475 2225 M N 1.634 121.274 119.600 0.067 0.000 2.180 2225 M HA 0.624 5.104 4.480 -0.000 0.000 0.358 2225 M C 0.129 176.487 176.300 0.097 0.000 1.233 2225 M CA 0.061 55.345 55.300 -0.027 0.000 1.114 2225 M CB 1.058 33.669 32.600 0.019 0.000 1.594 2225 M HN 0.973 nan 8.290 nan 0.000 0.467 2226 G N 1.580 110.347 108.800 -0.054 0.000 2.870 2226 G HA2 0.757 4.717 3.960 -0.000 0.000 0.299 2226 G HA3 0.757 4.717 3.960 -0.000 0.000 0.299 2226 G C -1.477 173.406 174.900 -0.028 0.000 1.324 2226 G CA -0.653 44.465 45.100 0.030 0.000 0.808 2226 G HN 0.652 nan 8.290 nan 0.000 0.535 2227 V N -1.035 118.868 119.914 -0.019 0.000 2.604 2227 V HA 0.819 4.939 4.120 -0.000 0.000 0.305 2227 V C 0.481 176.534 176.094 -0.068 0.000 1.043 2227 V CA -0.142 62.136 62.300 -0.037 0.000 0.888 2227 V CB 0.794 32.609 31.823 -0.013 0.000 0.995 2227 V HN 1.222 nan 8.190 nan 0.000 0.429 2228 T N 0.528 115.034 114.554 -0.080 0.000 2.810 2228 T HA 0.412 4.762 4.350 -0.000 0.000 0.277 2228 T C 0.852 175.460 174.700 -0.153 0.000 0.973 2228 T CA -0.269 61.760 62.100 -0.119 0.000 0.949 2228 T CB 0.933 69.730 68.868 -0.118 0.000 1.075 2228 T HN 0.566 nan 8.240 nan 0.000 0.537 2229 K N -0.430 119.829 120.400 -0.234 0.000 2.211 2229 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 2229 K C 1.665 178.145 176.600 -0.199 0.000 1.047 2229 K CA 1.378 57.497 56.287 -0.280 0.000 0.935 2229 K CB -0.567 31.720 32.500 -0.355 0.000 0.728 2229 K HN 0.760 nan 8.250 nan 0.000 0.452 2230 H N -1.746 117.271 119.070 -0.089 0.000 2.524 2230 H HA 0.202 4.758 4.556 -0.000 0.000 0.280 2230 H C 0.715 176.008 175.328 -0.058 0.000 1.018 2230 H CA -0.009 55.998 56.048 -0.067 0.000 1.165 2230 H CB 0.506 30.238 29.762 -0.050 0.000 1.411 2230 H HN 0.311 nan 8.280 nan 0.000 0.569 2231 G N 1.075 109.889 108.800 0.024 0.000 2.160 2231 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 2231 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 2231 G C -0.024 174.882 174.900 0.011 0.000 1.008 2231 G CA 0.388 45.496 45.100 0.012 0.000 0.724 2231 G HN 0.234 nan 8.290 nan 0.000 0.514 2232 V N 0.412 120.331 119.914 0.008 0.000 2.472 2232 V HA 0.778 4.898 4.120 -0.000 0.000 0.290 2232 V C 0.893 176.972 176.094 -0.025 0.000 1.037 2232 V CA -0.548 61.749 62.300 -0.005 0.000 0.908 2232 V CB 1.612 33.439 31.823 0.007 0.000 0.985 2232 V HN 1.104 nan 8.190 nan 0.000 0.454 2233 A N 3.731 126.534 122.820 -0.028 0.000 2.454 2233 A HA 0.758 5.078 4.320 -0.000 0.000 0.260 2233 A C 0.346 177.898 177.584 -0.053 0.000 1.106 2233 A CA 0.516 52.532 52.037 -0.037 0.000 0.780 2233 A CB 0.079 19.062 19.000 -0.029 0.000 1.044 2233 A HN 1.540 nan 8.150 nan 0.000 0.498 2234 A N 2.305 125.076 122.820 -0.082 0.000 2.593 2234 A HA 0.714 5.034 4.320 -0.000 0.000 0.290 2234 A C -0.708 176.770 177.584 -0.177 0.000 1.126 2234 A CA -0.636 51.336 52.037 -0.108 0.000 0.695 2234 A CB 0.699 19.636 19.000 -0.104 0.000 1.290 2234 A HN 0.738 nan 8.150 nan 0.000 0.414 2235 I N 1.884 122.330 120.570 -0.206 0.000 2.312 2235 I HA 0.281 4.451 4.170 -0.000 0.000 0.291 2235 I C -0.059 175.799 176.117 -0.432 0.000 1.031 2235 I CA 0.100 61.192 61.300 -0.346 0.000 1.293 2235 I CB 1.325 39.137 38.000 -0.314 0.000 1.403 2235 I HN 0.557 nan 8.210 nan 0.000 0.484 2236 T N 4.302 118.455 114.554 -0.668 0.000 2.875 2236 T HA 0.368 4.718 4.350 -0.000 0.000 0.284 2236 T C 0.042 174.377 174.700 -0.609 0.000 0.995 2236 T CA -0.423 61.279 62.100 -0.664 0.000 1.060 2236 T CB 1.285 69.618 68.868 -0.892 0.000 0.967 2236 T HN 0.471 nan 8.240 nan 0.000 0.476 2237 T N 2.871 117.271 114.554 -0.257 0.000 2.809 2237 T HA 0.576 4.926 4.350 -0.000 0.000 0.284 2237 T C 0.359 175.065 174.700 0.010 0.000 0.992 2237 T CA -0.853 61.227 62.100 -0.032 0.000 0.957 2237 T CB 1.222 70.147 68.868 0.094 0.000 0.942 2237 T HN 0.786 nan 8.240 nan 0.000 0.439 2238 T N -0.462 114.161 114.554 0.114 0.000 2.948 2238 T HA 0.502 4.852 4.350 -0.000 0.000 0.285 2238 T C 1.021 175.785 174.700 0.107 0.000 1.019 2238 T CA -0.959 61.216 62.100 0.125 0.000 1.013 2238 T CB 1.652 70.652 68.868 0.221 0.000 1.117 2238 T HN 0.604 nan 8.240 nan 0.000 0.533 2239 K N -0.236 120.208 120.400 0.073 0.000 2.354 2239 K HA 0.530 4.850 4.320 -0.000 0.000 0.194 2239 K C 0.856 177.491 176.600 0.059 0.000 1.045 2239 K CA 0.013 56.333 56.287 0.055 0.000 1.026 2239 K CB -0.034 32.484 32.500 0.030 0.000 0.866 2239 K HN 1.257 nan 8.250 nan 0.000 0.530 2240 G N 1.261 110.101 108.800 0.065 0.000 2.770 2240 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 2240 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 2240 G C -1.956 172.946 174.900 0.004 0.000 1.180 2240 G CA -0.705 44.423 45.100 0.047 0.000 0.767 2240 G HN 0.247 nan 8.290 nan 0.000 0.646 2241 N N 1.083 119.776 118.700 -0.012 0.000 2.518 2241 N HA 0.283 5.023 4.740 -0.000 0.000 0.254 2241 N C 1.292 176.767 175.510 -0.058 0.000 0.979 2241 N CA -0.238 52.791 53.050 -0.035 0.000 0.930 2241 N CB 1.285 39.758 38.487 -0.023 0.000 1.152 2241 N HN 0.737 nan 8.380 nan 0.000 0.505 2242 E N 2.547 122.643 120.200 -0.174 0.000 2.511 2242 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 2242 E C -0.492 175.977 176.600 -0.218 0.000 1.066 2242 E CA 0.651 56.926 56.400 -0.209 0.000 0.871 2242 E CB -0.384 29.153 29.700 -0.271 0.000 0.863 2242 E HN 0.634 nan 8.360 nan 0.000 0.520 2243 H N -0.078 119.059 119.070 0.111 0.000 2.539 2243 H HA 0.301 4.857 4.556 -0.000 0.000 0.293 2243 H C -0.529 174.935 175.328 0.226 0.000 1.156 2243 H CA -0.755 55.399 56.048 0.177 0.000 1.012 2243 H CB 0.071 29.934 29.762 0.169 0.000 1.600 2243 H HN 0.092 nan 8.280 nan 0.000 0.538 2244 C N 1.381 120.836 119.300 0.259 0.000 2.365 2244 C HA 0.606 5.066 4.460 -0.000 0.000 0.349 2244 C C -0.191 174.979 174.990 0.300 0.000 1.191 2244 C CA -0.640 58.489 59.018 0.185 0.000 2.114 2244 C CB -0.385 27.490 27.740 0.226 0.000 2.367 2244 C HN 0.615 nan 8.230 nan 0.000 0.530 2245 F N -0.602 119.495 119.950 0.245 0.000 2.711 2245 F HA 0.770 5.297 4.527 -0.000 0.000 0.313 2245 F C -0.974 174.969 175.800 0.238 0.000 1.141 2245 F CA -1.290 56.837 58.000 0.211 0.000 0.941 2245 F CB 0.289 39.399 39.000 0.183 0.000 1.349 2245 F HN 0.228 nan 8.300 nan 0.000 0.464 2246 V N 2.507 122.671 119.914 0.418 0.000 2.607 2246 V HA 0.388 4.508 4.120 -0.000 0.000 0.289 2246 V C 0.004 176.320 176.094 0.371 0.000 1.053 2246 V CA -0.510 61.971 62.300 0.303 0.000 0.996 2246 V CB 1.417 33.370 31.823 0.216 0.000 0.995 2246 V HN 0.604 nan 8.190 nan 0.000 0.476 2247 I N 5.506 126.243 120.570 0.278 0.000 2.382 2247 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 2247 I C -0.449 175.792 176.117 0.207 0.000 1.007 2247 I CA -0.403 61.064 61.300 0.279 0.000 1.142 2247 I CB 1.432 39.592 38.000 0.266 0.000 1.289 2247 I HN 0.362 nan 8.210 nan 0.000 0.453 2248 L N 7.442 128.785 121.223 0.201 0.000 2.315 2248 L HA 0.287 4.627 4.340 -0.000 0.000 0.283 2248 L C 0.647 177.630 176.870 0.188 0.000 1.089 2248 L CA -0.235 54.710 54.840 0.174 0.000 0.833 2248 L CB 0.110 42.272 42.059 0.171 0.000 1.170 2248 L HN 0.692 nan 8.230 nan 0.000 0.442 2249 R N 1.580 122.179 120.500 0.165 0.000 2.616 2249 R HA 0.441 4.780 4.340 -0.000 0.000 0.427 2249 R C 0.454 176.852 176.300 0.163 0.000 1.030 2249 R CA -0.076 56.130 56.100 0.177 0.000 1.133 2249 R CB 0.040 30.430 30.300 0.150 0.000 1.444 2249 R HN 0.612 nan 8.270 nan 0.000 0.578 2250 G N -0.335 108.554 108.800 0.148 0.000 2.598 2250 G HA2 0.147 4.107 3.960 -0.000 0.000 0.269 2250 G HA3 0.147 4.107 3.960 -0.000 0.000 0.269 2250 G C 0.286 175.241 174.900 0.092 0.000 1.289 2250 G CA 0.125 45.297 45.100 0.120 0.000 0.926 2250 G HN 1.187 nan 8.290 nan 0.000 0.567 2251 G N -2.749 106.097 108.800 0.077 0.000 2.351 2251 G HA2 0.495 4.455 3.960 -0.000 0.000 0.279 2251 G HA3 0.495 4.455 3.960 -0.000 0.000 0.279 2251 G C 0.557 175.485 174.900 0.046 0.000 1.297 2251 G CA 0.527 45.663 45.100 0.060 0.000 0.886 2251 G HN 0.888 nan 8.290 nan 0.000 0.493 2252 K N 0.263 120.684 120.400 0.036 0.000 2.052 2252 K HA -0.219 4.101 4.320 -0.000 0.000 0.215 2252 K C 2.237 178.850 176.600 0.022 0.000 1.053 2252 K CA 2.186 58.489 56.287 0.027 0.000 0.934 2252 K CB -0.262 32.250 32.500 0.021 0.000 0.717 2252 K HN 0.543 nan 8.250 nan 0.000 0.450 2253 K N 0.113 120.524 120.400 0.019 0.000 2.591 2253 K HA 0.118 4.438 4.320 -0.000 0.000 0.197 2253 K C 0.366 176.971 176.600 0.008 0.000 1.026 2253 K CA 0.451 56.745 56.287 0.012 0.000 1.127 2253 K CB 0.099 32.605 32.500 0.009 0.000 0.871 2253 K HN 0.246 nan 8.250 nan 0.000 0.507 2254 G N 0.737 109.547 108.800 0.017 0.000 2.603 2254 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 2254 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 2254 G C -0.344 174.568 174.900 0.020 0.000 1.286 2254 G CA -0.564 44.544 45.100 0.012 0.000 0.871 2254 G HN 0.451 nan 8.290 nan 0.000 0.568 2255 T N -1.737 112.823 114.554 0.010 0.000 2.898 2255 T HA 0.487 4.836 4.350 -0.000 0.000 0.301 2255 T C 0.765 175.426 174.700 -0.066 0.000 1.049 2255 T CA 0.540 62.656 62.100 0.027 0.000 1.095 2255 T CB 1.234 70.126 68.868 0.039 0.000 0.976 2255 T HN 1.862 nan 8.240 nan 0.000 0.539 2256 N N -0.053 118.647 118.700 0.001 0.000 2.588 2256 N HA 0.116 4.856 4.740 -0.000 0.000 0.298 2256 N C -0.235 175.290 175.510 0.024 0.000 1.718 2256 N CA -0.870 52.164 53.050 -0.026 0.000 0.888 2256 N CB -0.440 38.071 38.487 0.039 0.000 1.389 2256 N HN 0.857 nan 8.380 nan 0.000 0.491 2257 Y N -1.541 118.777 120.300 0.030 0.000 2.467 2257 Y HA 0.387 4.937 4.550 -0.000 0.000 0.250 2257 Y C -0.099 175.805 175.900 0.006 0.000 1.155 2257 Y CA -1.247 56.868 58.100 0.026 0.000 1.249 2257 Y CB -0.173 38.294 38.460 0.011 0.000 1.146 2257 Y HN 0.020 nan 8.280 nan 0.000 0.524 2258 D N 1.090 121.311 120.400 -0.297 0.000 2.358 2258 D HA 0.147 4.787 4.640 -0.000 0.000 0.244 2258 D C 1.286 177.560 176.300 -0.044 0.000 1.163 2258 D CA 0.392 54.297 54.000 -0.159 0.000 0.945 2258 D CB 1.842 42.494 40.800 -0.246 0.000 1.152 2258 D HN 0.234 nan 8.370 nan 0.000 0.451 2259 A N 1.271 124.081 122.820 -0.017 0.000 1.908 2259 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 2259 A C 2.366 179.945 177.584 -0.009 0.000 1.181 2259 A CA 3.257 55.294 52.037 0.000 0.000 0.627 2259 A CB -1.241 17.761 19.000 0.003 0.000 0.818 2259 A HN 0.799 nan 8.150 nan 0.000 0.445 2260 K N -0.494 119.890 120.400 -0.027 0.000 2.026 2260 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 2260 K C 2.281 178.869 176.600 -0.020 0.000 1.048 2260 K CA 2.130 58.403 56.287 -0.024 0.000 0.929 2260 K CB -1.362 31.117 32.500 -0.035 0.000 0.713 2260 K HN 0.513 nan 8.250 nan 0.000 0.439 2261 S N 0.477 116.156 115.700 -0.036 0.000 2.368 2261 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 2261 S C 2.227 176.833 174.600 0.010 0.000 1.030 2261 S CA 1.335 59.522 58.200 -0.021 0.000 0.999 2261 S CB -0.266 62.906 63.200 -0.047 0.000 0.844 2261 S HN 0.335 nan 8.310 nan 0.000 0.459 2262 V N 1.904 121.830 119.914 0.019 0.000 2.407 2262 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 2262 V C 2.585 178.700 176.094 0.035 0.000 1.055 2262 V CA 1.682 64.008 62.300 0.042 0.000 1.049 2262 V CB -1.107 30.748 31.823 0.053 0.000 0.662 2262 V HN 0.549 nan 8.190 nan 0.000 0.455 2263 A N -0.953 121.880 122.820 0.022 0.000 1.968 2263 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 2263 A C 2.263 179.859 177.584 0.020 0.000 1.169 2263 A CA 1.636 53.685 52.037 0.020 0.000 0.638 2263 A CB -0.389 18.619 19.000 0.012 0.000 0.812 2263 A HN 0.586 nan 8.150 nan 0.000 0.446 2264 E N -0.252 119.958 120.200 0.016 0.000 2.106 2264 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 2264 E C 2.198 178.813 176.600 0.026 0.000 0.984 2264 E CA 0.796 57.206 56.400 0.016 0.000 0.806 2264 E CB -0.157 29.549 29.700 0.009 0.000 0.750 2264 E HN 0.574 nan 8.360 nan 0.000 0.458 2265 A N 1.592 124.433 122.820 0.035 0.000 1.873 2265 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 2265 A C 1.966 179.580 177.584 0.050 0.000 1.186 2265 A CA 1.403 53.469 52.037 0.049 0.000 0.616 2265 A CB -0.297 18.742 19.000 0.065 0.000 0.823 2265 A HN 0.094 nan 8.150 nan 0.000 0.442 2266 K N -0.047 120.381 120.400 0.047 0.000 2.103 2266 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 2266 K C 2.245 178.867 176.600 0.038 0.000 1.048 2266 K CA 1.152 57.466 56.287 0.045 0.000 0.930 2266 K CB -0.388 32.135 32.500 0.039 0.000 0.716 2266 K HN 0.443 nan 8.250 nan 0.000 0.444 2267 A N 1.791 124.630 122.820 0.031 0.000 1.933 2267 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 2267 A C 2.083 179.683 177.584 0.026 0.000 1.175 2267 A CA 1.334 53.386 52.037 0.025 0.000 0.628 2267 A CB -0.401 18.610 19.000 0.020 0.000 0.814 2267 A HN 0.322 nan 8.150 nan 0.000 0.444 2268 Q N -0.536 119.282 119.800 0.029 0.000 2.167 2268 Q HA 0.034 4.374 4.340 -0.000 0.000 0.202 2268 Q C -0.013 176.006 176.000 0.033 0.000 0.970 2268 Q CA 0.195 56.014 55.803 0.028 0.000 0.855 2268 Q CB -0.299 28.457 28.738 0.029 0.000 0.911 2268 Q HN 0.606 nan 8.270 nan 0.000 0.438 2269 L N 3.829 125.077 121.223 0.042 0.000 2.513 2269 L HA 0.089 4.429 4.340 -0.000 0.000 0.272 2269 L C -1.719 175.175 176.870 0.041 0.000 1.187 2269 L CA -1.319 53.550 54.840 0.048 0.000 0.895 2269 L CB -0.286 41.810 42.059 0.063 0.000 1.147 2269 L HN 0.062 nan 8.230 nan 0.000 0.483 2270 P HA 0.143 nan 4.420 nan 0.000 0.274 2270 P C -0.572 176.750 177.300 0.036 0.000 1.256 2270 P CA -0.602 62.518 63.100 0.033 0.000 0.795 2270 P CB 0.699 32.417 31.700 0.030 0.000 1.038 2271 A N -0.081 122.757 122.820 0.031 0.000 2.483 2271 A HA 0.409 4.728 4.320 -0.000 0.000 0.238 2271 A C 1.411 179.017 177.584 0.037 0.000 1.070 2271 A CA 0.615 52.670 52.037 0.031 0.000 0.770 2271 A CB -1.463 17.552 19.000 0.025 0.000 1.008 2271 A HN 0.945 nan 8.150 nan 0.000 0.497 2272 G N 0.533 109.357 108.800 0.039 0.000 2.153 2272 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.252 2272 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.252 2272 G C 0.556 175.491 174.900 0.058 0.000 0.994 2272 G CA 0.800 45.927 45.100 0.045 0.000 0.698 2272 G HN 1.561 nan 8.290 nan 0.000 0.521 2273 S N -0.349 115.389 115.700 0.063 0.000 2.614 2273 S HA 0.535 5.004 4.470 -0.000 0.000 0.265 2273 S C 0.799 175.459 174.600 0.100 0.000 1.303 2273 S CA -0.441 57.810 58.200 0.084 0.000 1.000 2273 S CB 0.424 63.673 63.200 0.082 0.000 0.935 2273 S HN 0.408 nan 8.310 nan 0.000 0.551 2274 N N 0.794 119.578 118.700 0.141 0.000 2.463 2274 N HA 0.346 5.086 4.740 -0.000 0.000 0.270 2274 N C 0.455 176.034 175.510 0.116 0.000 1.205 2274 N CA -0.129 53.009 53.050 0.148 0.000 0.974 2274 N CB 0.478 39.111 38.487 0.243 0.000 1.197 2274 N HN 0.746 nan 8.380 nan 0.000 0.504 2275 G N -0.163 108.662 108.800 0.042 0.000 2.667 2275 G HA2 0.341 4.301 3.960 -0.000 0.000 0.250 2275 G HA3 0.341 4.301 3.960 -0.000 0.000 0.250 2275 G C 0.038 174.948 174.900 0.018 0.000 1.212 2275 G CA -0.322 44.782 45.100 0.007 0.000 0.874 2275 G HN 0.381 nan 8.290 nan 0.000 0.561 2276 L N -0.021 121.228 121.223 0.043 0.000 2.379 2276 L HA 0.549 4.889 4.340 -0.000 0.000 0.269 2276 L C 0.426 177.331 176.870 0.059 0.000 1.084 2276 L CA -0.511 54.394 54.840 0.109 0.000 0.802 2276 L CB 1.674 43.804 42.059 0.119 0.000 1.175 2276 L HN 0.491 nan 8.230 nan 0.000 0.448 2277 M N 3.178 122.878 119.600 0.167 0.000 2.253 2277 M HA 0.533 5.013 4.480 -0.000 0.000 0.314 2277 M C -1.465 174.947 176.300 0.187 0.000 1.019 2277 M CA -0.317 55.068 55.300 0.141 0.000 0.932 2277 M CB 1.485 34.247 32.600 0.269 0.000 1.606 2277 M HN 0.426 nan 8.290 nan 0.000 0.430 2278 I N 3.815 124.481 120.570 0.160 0.000 2.336 2278 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 2278 I C -0.535 175.711 176.117 0.215 0.000 0.991 2278 I CA -0.662 60.769 61.300 0.217 0.000 1.227 2278 I CB 1.391 39.550 38.000 0.266 0.000 1.366 2278 I HN 0.620 nan 8.210 nan 0.000 0.466 2279 D N 5.950 126.486 120.400 0.226 0.000 2.316 2279 D HA 0.071 4.711 4.640 -0.000 0.000 0.245 2279 D C 0.521 176.997 176.300 0.294 0.000 1.171 2279 D CA -0.022 54.102 54.000 0.205 0.000 0.856 2279 D CB 0.754 41.691 40.800 0.227 0.000 1.090 2279 D HN 0.277 nan 8.370 nan 0.000 0.476 2280 Y N 1.714 122.011 120.300 -0.005 0.000 2.373 2280 Y HA -0.018 4.532 4.550 -0.000 0.000 0.293 2280 Y C 1.831 177.688 175.900 -0.071 0.000 1.129 2280 Y CA 0.117 58.166 58.100 -0.087 0.000 1.226 2280 Y CB -0.618 37.779 38.460 -0.104 0.000 1.000 2280 Y HN 0.261 nan 8.280 nan 0.000 0.549 2281 S N -2.154 113.618 115.700 0.121 0.000 2.590 2281 S HA 0.367 4.837 4.470 -0.000 0.000 0.282 2281 S C -0.060 174.558 174.600 0.030 0.000 1.136 2281 S CA 0.239 58.419 58.200 -0.033 0.000 1.030 2281 S CB 0.212 63.251 63.200 -0.268 0.000 1.195 2281 S HN 0.535 nan 8.310 nan 0.000 0.506 2282 H N -0.689 118.418 119.070 0.062 0.000 1.452 2282 H HA -0.242 4.314 4.556 -0.000 0.000 0.090 2282 H C 1.503 176.873 175.328 0.070 0.000 0.836 2282 H CA 1.429 57.513 56.048 0.060 0.000 1.901 2282 H CB -1.598 28.198 29.762 0.058 0.000 2.257 2282 H HN 0.703 nan 8.280 nan 0.000 0.961 2283 G N -0.315 108.632 108.800 0.244 0.000 2.462 2283 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 2283 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 2283 G C 1.283 176.279 174.900 0.160 0.000 1.121 2283 G CA 1.317 46.514 45.100 0.161 0.000 0.758 2283 G HN 0.517 nan 8.290 nan 0.000 0.559 2284 N N 0.204 119.016 118.700 0.187 0.000 2.463 2284 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 2284 N C 2.152 177.748 175.510 0.143 0.000 1.078 2284 N CA 1.084 54.271 53.050 0.228 0.000 0.902 2284 N CB 0.284 38.926 38.487 0.258 0.000 0.970 2284 N HN 0.462 nan 8.380 nan 0.000 0.451 2285 S N -1.153 114.595 115.700 0.079 0.000 2.540 2285 S HA 0.156 4.626 4.470 -0.000 0.000 0.222 2285 S C 0.421 175.039 174.600 0.030 0.000 1.008 2285 S CA -0.416 57.797 58.200 0.022 0.000 0.939 2285 S CB 0.073 63.270 63.200 -0.006 0.000 0.865 2285 S HN 0.235 nan 8.310 nan 0.000 0.499 2286 N N 1.664 120.399 118.700 0.059 0.000 2.758 2286 N HA -0.260 4.480 4.740 -0.000 0.000 0.248 2286 N C 0.219 175.747 175.510 0.030 0.000 1.076 2286 N CA 0.536 53.615 53.050 0.048 0.000 0.696 2286 N CB -1.544 36.967 38.487 0.039 0.000 0.979 2286 N HN 0.923 nan 8.380 nan 0.000 0.550 2287 K N -0.885 119.536 120.400 0.035 0.000 3.230 2287 K HA -0.227 4.093 4.320 -0.000 0.000 0.285 2287 K C -0.543 176.067 176.600 0.018 0.000 1.196 2287 K CA 1.825 58.132 56.287 0.033 0.000 0.838 2287 K CB -1.857 30.665 32.500 0.038 0.000 1.262 2287 K HN 0.628 nan 8.250 nan 0.000 0.492 2288 D N -0.664 119.730 120.400 -0.009 0.000 2.402 2288 D HA 0.478 5.118 4.640 -0.000 0.000 0.252 2288 D C 0.972 177.206 176.300 -0.110 0.000 1.294 2288 D CA -0.400 53.549 54.000 -0.086 0.000 0.948 2288 D CB 0.108 40.834 40.800 -0.124 0.000 1.202 2288 D HN 0.421 nan 8.370 nan 0.000 0.561 2289 F N 4.031 123.961 119.950 -0.034 0.000 2.154 2289 F HA -0.160 4.367 4.527 -0.000 0.000 0.301 2289 F C 1.738 177.518 175.800 -0.034 0.000 1.087 2289 F CA 1.049 59.025 58.000 -0.041 0.000 1.274 2289 F CB -0.595 38.382 39.000 -0.038 0.000 1.009 2289 F HN 0.230 nan 8.300 nan 0.000 0.485 2290 R N 0.814 120.840 120.500 -0.789 0.000 2.357 2290 R HA -0.008 4.332 4.340 -0.000 0.000 0.202 2290 R C 0.906 177.086 176.300 -0.199 0.000 1.047 2290 R CA 1.241 57.079 56.100 -0.436 0.000 1.034 2290 R CB -1.291 28.665 30.300 -0.573 0.000 0.875 2290 R HN 0.517 nan 8.270 nan 0.000 0.473 2291 N N 0.825 119.430 118.700 -0.158 0.000 2.392 2291 N HA -0.032 4.708 4.740 -0.000 0.000 0.177 2291 N C 1.319 176.749 175.510 -0.133 0.000 1.066 2291 N CA -0.034 52.943 53.050 -0.122 0.000 0.895 2291 N CB 0.217 38.649 38.487 -0.091 0.000 0.988 2291 N HN 0.315 nan 8.380 nan 0.000 0.457 2292 Q N 0.861 120.622 119.800 -0.065 0.000 2.061 2292 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 2292 Q C -0.842 175.089 176.000 -0.115 0.000 0.984 2292 Q CA 1.273 57.054 55.803 -0.036 0.000 0.846 2292 Q CB -0.918 27.884 28.738 0.107 0.000 0.902 2292 Q HN 0.440 nan 8.270 nan 0.000 0.421 2293 P HA -0.118 nan 4.420 nan 0.000 0.221 2293 P C 0.561 177.761 177.300 -0.168 0.000 1.150 2293 P CA 1.241 64.290 63.100 -0.086 0.000 0.800 2293 P CB 0.087 31.766 31.700 -0.034 0.000 0.787 2294 K N -0.202 120.091 120.400 -0.178 0.000 2.097 2294 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 2294 K C 2.108 178.526 176.600 -0.304 0.000 1.050 2294 K CA 0.884 57.065 56.287 -0.176 0.000 0.938 2294 K CB -1.008 31.420 32.500 -0.121 0.000 0.718 2294 K HN -0.050 nan 8.250 nan 0.000 0.442 2295 V N 1.551 121.143 119.914 -0.536 0.000 2.358 2295 V HA -0.249 3.870 4.120 -0.000 0.000 0.246 2295 V C 2.030 177.599 176.094 -0.876 0.000 1.047 2295 V CA 1.935 63.659 62.300 -0.960 0.000 1.035 2295 V CB -0.673 30.432 31.823 -1.198 0.000 0.658 2295 V HN 0.403 nan 8.190 nan 0.000 0.452 2296 N N 0.682 118.844 118.700 -0.897 0.000 2.104 2296 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 2296 N C 1.492 176.844 175.510 -0.264 0.000 1.024 2296 N CA 1.945 54.623 53.050 -0.620 0.000 0.853 2296 N CB -0.243 38.130 38.487 -0.191 0.000 1.008 2296 N HN 0.474 nan 8.380 nan 0.000 0.424 2297 D N -0.504 119.774 120.400 -0.204 0.000 2.097 2297 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 2297 D C 2.042 178.299 176.300 -0.072 0.000 0.989 2297 D CA 1.007 54.946 54.000 -0.103 0.000 0.827 2297 D CB -0.434 40.319 40.800 -0.078 0.000 0.966 2297 D HN 0.143 nan 8.370 nan 0.000 0.456 2298 V N 0.963 120.833 119.914 -0.073 0.000 2.343 2298 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 2298 V C 2.676 178.782 176.094 0.021 0.000 1.051 2298 V CA 0.963 63.275 62.300 0.021 0.000 1.036 2298 V CB -0.410 31.516 31.823 0.173 0.000 0.654 2298 V HN 0.042 nan 8.190 nan 0.000 0.451 2299 V N -1.200 118.688 119.914 -0.043 0.000 2.358 2299 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 2299 V C 2.516 178.623 176.094 0.021 0.000 1.047 2299 V CA 2.075 64.379 62.300 0.007 0.000 1.035 2299 V CB -0.608 31.209 31.823 -0.011 0.000 0.658 2299 V HN 0.634 nan 8.190 nan 0.000 0.452 2300 C N -0.169 119.128 119.300 -0.004 0.000 2.429 2300 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 2300 C C 2.776 177.771 174.990 0.008 0.000 1.262 2300 C CA 1.407 60.430 59.018 0.008 0.000 1.733 2300 C CB -0.819 26.918 27.740 -0.005 0.000 2.010 2300 C HN 0.730 nan 8.230 nan 0.000 0.483 2301 E N 0.569 120.771 120.200 0.003 0.000 2.085 2301 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 2301 E C 2.121 178.729 176.600 0.014 0.000 0.994 2301 E CA 1.512 57.916 56.400 0.007 0.000 0.801 2301 E CB -0.158 29.546 29.700 0.007 0.000 0.743 2301 E HN 0.680 nan 8.360 nan 0.000 0.453 2302 Q N 0.128 119.941 119.800 0.022 0.000 2.046 2302 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 2302 Q C 2.425 178.439 176.000 0.023 0.000 0.975 2302 Q CA 1.652 57.471 55.803 0.026 0.000 0.836 2302 Q CB -0.111 28.650 28.738 0.039 0.000 0.896 2302 Q HN 0.424 nan 8.270 nan 0.000 0.428 2303 I N 0.779 121.365 120.570 0.026 0.000 2.179 2303 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 2303 I C 2.462 178.587 176.117 0.014 0.000 1.088 2303 I CA 1.031 62.343 61.300 0.021 0.000 1.357 2303 I CB -0.488 37.526 38.000 0.024 0.000 1.051 2303 I HN 0.166 nan 8.210 nan 0.000 0.409 2304 A N 0.688 123.514 122.820 0.011 0.000 1.978 2304 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 2304 A C 1.860 179.447 177.584 0.006 0.000 1.170 2304 A CA 1.706 53.747 52.037 0.006 0.000 0.636 2304 A CB -0.578 18.424 19.000 0.004 0.000 0.810 2304 A HN 0.453 nan 8.150 nan 0.000 0.448 2305 N N -0.981 117.724 118.700 0.008 0.000 2.383 2305 N HA 0.165 4.905 4.740 -0.000 0.000 0.192 2305 N C 0.992 176.508 175.510 0.009 0.000 1.141 2305 N CA 1.017 54.072 53.050 0.008 0.000 0.851 2305 N CB 0.638 39.130 38.487 0.008 0.000 0.976 2305 N HN 0.659 nan 8.380 nan 0.000 0.465 2306 G N 0.899 109.705 108.800 0.010 0.000 2.192 2306 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.193 2306 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.193 2306 G C -0.060 174.847 174.900 0.013 0.000 0.999 2306 G CA -0.385 44.721 45.100 0.010 0.000 0.659 2306 G HN 0.284 nan 8.290 nan 0.000 0.503 2307 E N 1.604 121.814 120.200 0.016 0.000 2.059 2307 E HA 0.315 4.665 4.350 -0.000 0.000 0.262 2307 E C 1.334 177.945 176.600 0.019 0.000 1.230 2307 E CA -0.135 56.277 56.400 0.020 0.000 0.951 2307 E CB -0.126 29.590 29.700 0.027 0.000 1.038 2307 E HN 0.283 nan 8.360 nan 0.000 0.425 2308 N N 3.431 122.141 118.700 0.016 0.000 2.463 2308 N HA -0.030 4.710 4.740 -0.000 0.000 0.181 2308 N C 0.906 176.424 175.510 0.014 0.000 1.078 2308 N CA 0.838 53.895 53.050 0.013 0.000 0.902 2308 N CB 0.258 38.752 38.487 0.012 0.000 0.970 2308 N HN 0.499 nan 8.380 nan 0.000 0.451 2309 A N 0.591 123.424 122.820 0.021 0.000 2.119 2309 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 2309 A C 1.048 178.647 177.584 0.025 0.000 1.153 2309 A CA 0.191 52.244 52.037 0.027 0.000 0.692 2309 A CB -0.192 18.830 19.000 0.036 0.000 0.799 2309 A HN 0.149 nan 8.150 nan 0.000 0.458 2310 I N 1.648 122.234 120.570 0.026 0.000 2.294 2310 I HA 0.066 4.236 4.170 -0.000 0.000 0.295 2310 I C 1.321 177.436 176.117 -0.004 0.000 1.098 2310 I CA 0.162 61.479 61.300 0.028 0.000 1.277 2310 I CB 1.021 39.051 38.000 0.050 0.000 1.434 2310 I HN 0.305 nan 8.210 nan 0.000 0.498 2311 T N 0.737 115.266 114.554 -0.042 0.000 3.022 2311 T HA 0.306 4.656 4.350 -0.000 0.000 0.250 2311 T C 0.677 175.301 174.700 -0.128 0.000 1.060 2311 T CA -0.136 61.912 62.100 -0.088 0.000 1.013 2311 T CB 0.553 69.345 68.868 -0.126 0.000 0.982 2311 T HN 0.588 nan 8.240 nan 0.000 0.508 2312 G N 0.786 109.516 108.800 -0.115 0.000 2.690 2312 G HA2 0.620 4.580 3.960 -0.000 0.000 0.291 2312 G HA3 0.620 4.580 3.960 -0.000 0.000 0.291 2312 G C -1.481 173.381 174.900 -0.064 0.000 1.403 2312 G CA -0.379 44.642 45.100 -0.131 0.000 0.864 2312 G HN 0.872 nan 8.290 nan 0.000 0.480 2313 V N -1.859 117.981 119.914 -0.123 0.000 3.049 2313 V HA 0.889 5.008 4.120 -0.000 0.000 0.309 2313 V C -0.659 175.273 176.094 -0.271 0.000 1.148 2313 V CA -1.117 61.067 62.300 -0.193 0.000 0.990 2313 V CB 1.889 33.502 31.823 -0.350 0.000 1.039 2313 V HN 0.996 nan 8.190 nan 0.000 0.430 2314 M N 4.018 123.445 119.600 -0.288 0.000 2.321 2314 M HA 0.772 5.252 4.480 -0.000 0.000 0.315 2314 M C -1.928 174.188 176.300 -0.306 0.000 1.052 2314 M CA -0.608 54.565 55.300 -0.212 0.000 0.936 2314 M CB 1.784 34.365 32.600 -0.031 0.000 1.639 2314 M HN 0.805 nan 8.290 nan 0.000 0.433 2315 I N 3.322 123.745 120.570 -0.246 0.000 2.533 2315 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 2315 I C -0.762 175.288 176.117 -0.112 0.000 1.056 2315 I CA -0.674 60.506 61.300 -0.200 0.000 1.057 2315 I CB 2.344 40.208 38.000 -0.226 0.000 1.240 2315 I HN 0.641 nan 8.210 nan 0.000 0.423 2316 E N 4.355 124.499 120.200 -0.095 0.000 2.044 2316 E HA 0.363 4.712 4.350 -0.000 0.000 0.282 2316 E C -0.738 175.818 176.600 -0.073 0.000 1.031 2316 E CA -0.196 56.135 56.400 -0.115 0.000 0.824 2316 E CB 1.617 31.215 29.700 -0.169 0.000 1.076 2316 E HN 0.504 nan 8.360 nan 0.000 0.395 2317 S N 3.777 119.435 115.700 -0.069 0.000 2.549 2317 S HA 0.539 5.009 4.470 -0.000 0.000 0.280 2317 S C -0.930 173.594 174.600 -0.127 0.000 1.109 2317 S CA -0.730 57.470 58.200 -0.001 0.000 0.905 2317 S CB 1.582 64.882 63.200 0.167 0.000 1.081 2317 S HN 0.449 nan 8.310 nan 0.000 0.477 2318 N N 1.449 120.139 118.700 -0.016 0.000 2.902 2318 N HA 0.493 5.233 4.740 -0.000 0.000 0.268 2318 N C 1.064 176.712 175.510 0.230 0.000 1.450 2318 N CA -0.663 52.317 53.050 -0.117 0.000 0.819 2318 N CB 1.044 39.432 38.487 -0.165 0.000 1.540 2318 N HN 0.630 nan 8.380 nan 0.000 0.545 2319 I N 0.363 121.035 120.570 0.172 0.000 2.127 2319 I HA -0.187 3.983 4.170 -0.000 0.000 0.241 2319 I C 0.162 176.383 176.117 0.173 0.000 1.075 2319 I CA 1.126 62.555 61.300 0.215 0.000 1.334 2319 I CB -0.147 37.881 38.000 0.046 0.000 1.040 2319 I HN 0.302 nan 8.210 nan 0.000 0.405 2320 N N 1.135 119.869 118.700 0.057 0.000 2.269 2320 N HA 0.211 4.951 4.740 -0.000 0.000 0.304 2320 N C -0.741 174.719 175.510 -0.085 0.000 1.072 2320 N CA -0.497 52.564 53.050 0.018 0.000 0.802 2320 N CB 1.490 39.989 38.487 0.020 0.000 1.348 2320 N HN 0.229 nan 8.380 nan 0.000 0.484 2321 E N 0.307 120.413 120.200 -0.156 0.000 2.416 2321 E HA 0.443 4.793 4.350 -0.000 0.000 0.254 2321 E C 0.733 177.011 176.600 -0.538 0.000 1.241 2321 E CA -0.493 55.651 56.400 -0.427 0.000 0.969 2321 E CB 0.282 29.658 29.700 -0.540 0.000 0.999 2321 E HN 0.652 nan 8.360 nan 0.000 0.481 2322 G N 0.786 108.985 108.800 -1.001 0.000 2.642 2322 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 2322 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 2322 G C -0.516 174.228 174.900 -0.261 0.000 1.338 2322 G CA 0.017 44.763 45.100 -0.590 0.000 0.883 2322 G HN 1.173 nan 8.290 nan 0.000 0.570 2323 N N -0.572 118.060 118.700 -0.113 0.000 3.387 2323 N HA 0.675 5.415 4.740 -0.000 0.000 0.322 2323 N C -0.625 174.848 175.510 -0.062 0.000 1.588 2323 N CA 0.243 53.243 53.050 -0.084 0.000 0.778 2323 N CB 1.585 40.045 38.487 -0.044 0.000 1.883 2323 N HN 1.732 nan 8.380 nan 0.000 0.628 2324 Q N -1.314 118.446 119.800 -0.067 0.000 2.666 2324 Q HA 0.489 4.829 4.340 -0.000 0.000 0.276 2324 Q C -1.258 174.700 176.000 -0.071 0.000 0.952 2324 Q CA -1.072 54.695 55.803 -0.060 0.000 0.850 2324 Q CB 0.640 29.336 28.738 -0.069 0.000 1.512 2324 Q HN 0.705 nan 8.270 nan 0.000 0.395 2325 G N 1.002 109.772 108.800 -0.050 0.000 2.543 2325 G HA2 0.695 4.655 3.960 -0.000 0.000 0.267 2325 G HA3 0.695 4.655 3.960 -0.000 0.000 0.267 2325 G C 0.069 174.928 174.900 -0.069 0.000 1.406 2325 G CA -0.676 44.395 45.100 -0.049 0.000 1.048 2325 G HN 0.793 nan 8.290 nan 0.000 0.548 2330 G N 1.686 110.469 108.800 -0.028 0.000 2.632 2330 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.224 2330 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.224 2330 G C 0.630 175.503 174.900 -0.046 0.000 1.341 2330 G CA 0.042 45.119 45.100 -0.038 0.000 0.880 2330 G HN 0.068 nan 8.290 nan 0.000 0.566 2331 K N 0.042 120.412 120.400 -0.050 0.000 2.059 2331 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 2331 K C 3.073 179.661 176.600 -0.020 0.000 1.050 2331 K CA 2.350 58.611 56.287 -0.042 0.000 0.927 2331 K CB -0.553 31.927 32.500 -0.034 0.000 0.714 2331 K HN 1.068 nan 8.250 nan 0.000 0.447 2332 A N 1.208 124.018 122.820 -0.016 0.000 2.001 2332 A HA -0.244 4.076 4.320 -0.000 0.000 0.224 2332 A C 2.386 179.967 177.584 -0.006 0.000 1.203 2332 A CA 2.403 54.434 52.037 -0.009 0.000 0.667 2332 A CB -1.281 17.713 19.000 -0.011 0.000 0.823 2332 A HN 0.539 nan 8.150 nan 0.000 0.473 2333 G N -1.204 107.589 108.800 -0.012 0.000 2.539 2333 G HA2 0.297 4.257 3.960 -0.000 0.000 0.215 2333 G HA3 0.297 4.257 3.960 -0.000 0.000 0.215 2333 G C 0.653 175.550 174.900 -0.006 0.000 1.141 2333 G CA 0.010 45.104 45.100 -0.010 0.000 0.806 2333 G HN 0.449 nan 8.290 nan 0.000 0.533 2334 L N 1.174 122.390 121.223 -0.012 0.000 2.543 2334 L HA 0.066 4.406 4.340 -0.000 0.000 0.285 2334 L C 0.592 177.479 176.870 0.028 0.000 1.236 2334 L CA 0.171 55.006 54.840 -0.009 0.000 0.871 2334 L CB 0.333 42.382 42.059 -0.016 0.000 1.121 2334 L HN 0.079 nan 8.230 nan 0.000 0.501 2335 K N 1.717 122.132 120.400 0.024 0.000 2.258 2335 K HA -0.005 4.315 4.320 -0.000 0.000 0.264 2335 K C 0.384 177.047 176.600 0.105 0.000 1.007 2335 K CA -0.398 55.923 56.287 0.056 0.000 0.941 2335 K CB 0.604 33.122 32.500 0.031 0.000 0.966 2335 K HN 0.315 nan 8.250 nan 0.000 0.480 2336 Y N 1.786 122.080 120.300 -0.010 0.000 2.229 2336 Y HA -0.181 4.369 4.550 -0.000 0.000 0.203 2336 Y C 1.765 177.661 175.900 -0.006 0.000 0.940 2336 Y CA 2.202 60.294 58.100 -0.014 0.000 0.928 2336 Y CB -0.869 37.579 38.460 -0.021 0.000 0.947 2336 Y HN 0.742 nan 8.280 nan 0.000 0.549 2337 G N 0.534 109.147 108.800 -0.312 0.000 3.352 2337 G HA2 0.319 4.279 3.960 -0.000 0.000 0.236 2337 G HA3 0.319 4.279 3.960 -0.000 0.000 0.236 2337 G C -1.098 173.712 174.900 -0.150 0.000 1.324 2337 G CA 0.171 45.053 45.100 -0.363 0.000 1.404 2337 G HN 0.151 nan 8.290 nan 0.000 0.542 2338 V N 0.184 120.040 119.914 -0.098 0.000 2.448 2338 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 2338 V C 0.638 176.687 176.094 -0.074 0.000 1.025 2338 V CA -1.059 61.192 62.300 -0.083 0.000 0.859 2338 V CB 1.507 33.291 31.823 -0.066 0.000 0.988 2338 V HN 0.323 nan 8.190 nan 0.000 0.431 2339 S N 4.358 119.996 115.700 -0.103 0.000 2.566 2339 S HA 0.212 4.682 4.470 -0.000 0.000 0.280 2339 S C 0.714 175.195 174.600 -0.198 0.000 1.343 2339 S CA 0.085 58.213 58.200 -0.120 0.000 1.036 2339 S CB 0.250 63.391 63.200 -0.099 0.000 0.866 2339 S HN 0.790 nan 8.310 nan 0.000 0.526 2340 I N 0.855 121.247 120.570 -0.297 0.000 3.856 2340 I HA 0.324 4.494 4.170 -0.000 0.000 0.330 2340 I C 0.389 176.457 176.117 -0.083 0.000 1.546 2340 I CA -0.462 60.666 61.300 -0.286 0.000 1.132 2340 I CB -0.246 37.410 38.000 -0.574 0.000 1.157 2340 I HN 0.665 nan 8.210 nan 0.000 0.440 2341 T N -2.942 111.599 114.554 -0.021 0.000 1.999 2341 T HA 0.317 4.667 4.350 -0.000 0.000 0.176 2341 T C -0.258 174.457 174.700 0.025 0.000 0.685 2341 T CA -0.399 61.735 62.100 0.057 0.000 1.245 2341 T CB -0.057 68.890 68.868 0.132 0.000 2.785 2341 T HN -0.010 nan 8.240 nan 0.000 0.425 2342 D N 2.115 122.534 120.400 0.031 0.000 2.389 2342 D HA 0.535 5.174 4.640 -0.000 0.000 0.247 2342 D C 0.295 176.574 176.300 -0.034 0.000 1.128 2342 D CA 0.026 54.028 54.000 0.003 0.000 0.884 2342 D CB 0.933 41.721 40.800 -0.020 0.000 1.194 2342 D HN 0.822 nan 8.370 nan 0.000 0.441 2343 A N 1.856 124.672 122.820 -0.006 0.000 2.520 2343 A HA 0.272 4.592 4.320 -0.000 0.000 0.235 2343 A C 0.067 177.607 177.584 -0.074 0.000 1.065 2343 A CA -0.092 51.929 52.037 -0.028 0.000 0.764 2343 A CB 0.107 19.203 19.000 0.160 0.000 1.002 2343 A HN 0.677 nan 8.150 nan 0.000 0.502 2344 C N 1.059 120.226 119.300 -0.222 0.000 2.848 2344 C HA 0.672 5.132 4.460 -0.000 0.000 0.317 2344 C C 0.333 175.137 174.990 -0.309 0.000 1.260 2344 C CA -0.621 58.289 59.018 -0.180 0.000 1.656 2344 C CB 1.047 28.693 27.740 -0.156 0.000 2.174 2344 C HN 0.876 nan 8.230 nan 0.000 0.479 2345 I N 1.033 121.551 120.570 -0.087 0.000 2.581 2345 I HA 0.653 4.823 4.170 -0.000 0.000 0.288 2345 I C 0.677 176.763 176.117 -0.052 0.000 1.047 2345 I CA 0.182 61.467 61.300 -0.024 0.000 1.374 2345 I CB 0.226 38.286 38.000 0.101 0.000 1.423 2345 I HN 0.737 nan 8.210 nan 0.000 0.549 2346 G N 3.930 112.705 108.800 -0.042 0.000 2.683 2346 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.260 2346 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.260 2346 G C 0.268 175.242 174.900 0.123 0.000 1.238 2346 G CA -0.553 44.572 45.100 0.042 0.000 0.934 2346 G HN 1.063 nan 8.290 nan 0.000 0.534 2347 W N 0.371 121.700 121.300 0.048 0.000 2.333 2347 W HA -0.152 4.508 4.660 -0.000 0.000 0.316 2347 W C 2.236 178.765 176.519 0.016 0.000 1.215 2347 W CA 1.887 59.261 57.345 0.047 0.000 1.278 2347 W CB 0.118 29.595 29.460 0.028 0.000 1.154 2347 W HN 0.733 nan 8.180 nan 0.000 0.486 2348 E N -0.179 119.960 120.200 -0.102 0.000 2.160 2348 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 2348 E C 1.866 178.337 176.600 -0.215 0.000 0.991 2348 E CA 1.983 58.267 56.400 -0.192 0.000 0.810 2348 E CB -1.345 28.352 29.700 -0.005 0.000 0.742 2348 E HN 0.192 nan 8.360 nan 0.000 0.466 2349 T N 1.439 115.918 114.554 -0.125 0.000 2.737 2349 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 2349 T C 1.971 176.574 174.700 -0.161 0.000 1.038 2349 T CA 2.043 64.091 62.100 -0.087 0.000 1.144 2349 T CB -0.521 68.347 68.868 0.000 0.000 0.866 2349 T HN 0.274 nan 8.240 nan 0.000 0.434 2350 T N 1.776 116.188 114.554 -0.235 0.000 2.665 2350 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 2350 T C 1.924 176.360 174.700 -0.440 0.000 1.035 2350 T CA 1.743 63.660 62.100 -0.304 0.000 1.151 2350 T CB -0.356 68.302 68.868 -0.351 0.000 0.862 2350 T HN 0.597 nan 8.240 nan 0.000 0.438 2351 E N 0.784 120.566 120.200 -0.697 0.000 2.085 2351 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 2351 E C 2.008 178.439 176.600 -0.282 0.000 0.994 2351 E CA 1.609 57.667 56.400 -0.569 0.000 0.801 2351 E CB -0.180 29.149 29.700 -0.618 0.000 0.743 2351 E HN 0.407 nan 8.360 nan 0.000 0.453 2352 D N -0.464 119.805 120.400 -0.218 0.000 2.117 2352 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 2352 D C 1.984 178.227 176.300 -0.095 0.000 0.982 2352 D CA 1.307 55.233 54.000 -0.123 0.000 0.828 2352 D CB -0.035 40.711 40.800 -0.091 0.000 0.967 2352 D HN 0.135 nan 8.370 nan 0.000 0.464 2353 V N 0.595 120.453 119.914 -0.094 0.000 2.287 2353 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 2353 V C 2.707 178.780 176.094 -0.035 0.000 1.053 2353 V CA 1.420 63.698 62.300 -0.037 0.000 1.027 2353 V CB -0.520 31.303 31.823 0.001 0.000 0.646 2353 V HN 0.324 nan 8.190 nan 0.000 0.447 2354 L N -0.773 120.397 121.223 -0.090 0.000 2.056 2354 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 2354 L C 2.817 179.649 176.870 -0.063 0.000 1.078 2354 L CA 1.550 56.341 54.840 -0.082 0.000 0.749 2354 L CB -0.634 41.349 42.059 -0.127 0.000 0.901 2354 L HN 0.242 nan 8.230 nan 0.000 0.433 2355 R N 0.287 120.741 120.500 -0.076 0.000 2.120 2355 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 2355 R C 2.259 178.538 176.300 -0.036 0.000 1.123 2355 R CA 1.119 57.187 56.100 -0.054 0.000 0.975 2355 R CB -0.219 30.046 30.300 -0.058 0.000 0.866 2355 R HN 0.427 nan 8.270 nan 0.000 0.446 2356 K N 0.760 121.141 120.400 -0.033 0.000 2.025 2356 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 2356 K C 2.199 178.795 176.600 -0.008 0.000 1.049 2356 K CA 0.866 57.141 56.287 -0.020 0.000 0.933 2356 K CB -0.213 32.276 32.500 -0.019 0.000 0.714 2356 K HN 0.129 nan 8.250 nan 0.000 0.438 2357 L N 0.838 122.062 121.223 0.001 0.000 2.042 2357 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 2357 L C 2.451 179.320 176.870 -0.002 0.000 1.076 2357 L CA 1.335 56.184 54.840 0.015 0.000 0.749 2357 L CB -0.425 41.649 42.059 0.024 0.000 0.893 2357 L HN 0.228 nan 8.230 nan 0.000 0.432 2358 A N -0.368 122.443 122.820 -0.014 0.000 1.908 2358 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 2358 A C 2.430 180.007 177.584 -0.012 0.000 1.181 2358 A CA 1.851 53.878 52.037 -0.017 0.000 0.627 2358 A CB -0.798 18.189 19.000 -0.022 0.000 0.818 2358 A HN 0.548 nan 8.150 nan 0.000 0.445 2359 A N -0.185 122.629 122.820 -0.011 0.000 1.902 2359 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 2359 A C 2.525 180.106 177.584 -0.005 0.000 1.181 2359 A CA 2.135 54.167 52.037 -0.009 0.000 0.623 2359 A CB -1.093 17.901 19.000 -0.010 0.000 0.818 2359 A HN 1.138 nan 8.150 nan 0.000 0.443 2360 A N -0.451 122.368 122.820 -0.002 0.000 1.940 2360 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 2360 A C 2.235 179.821 177.584 0.002 0.000 1.176 2360 A CA 1.951 53.989 52.037 0.002 0.000 0.631 2360 A CB -0.981 18.024 19.000 0.009 0.000 0.814 2360 A HN 0.416 nan 8.150 nan 0.000 0.446 2361 V N -0.411 119.503 119.914 -0.001 0.000 2.261 2361 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 2361 V C 2.613 178.705 176.094 -0.003 0.000 1.047 2361 V CA 2.410 64.708 62.300 -0.003 0.000 1.015 2361 V CB -0.821 30.997 31.823 -0.008 0.000 0.642 2361 V HN 0.533 nan 8.190 nan 0.000 0.446 2362 R N -0.328 120.169 120.500 -0.005 0.000 2.091 2362 R HA -0.226 4.114 4.340 -0.000 0.000 0.238 2362 R C 2.443 178.742 176.300 -0.002 0.000 1.136 2362 R CA 1.761 57.858 56.100 -0.004 0.000 0.959 2362 R CB -0.431 29.866 30.300 -0.005 0.000 0.856 2362 R HN 0.488 nan 8.270 nan 0.000 0.437 2363 Q N 0.640 120.439 119.800 -0.002 0.000 2.050 2363 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 2363 Q C 1.919 177.920 176.000 0.001 0.000 0.980 2363 Q CA 1.833 57.636 55.803 -0.001 0.000 0.840 2363 Q CB -0.191 28.547 28.738 -0.000 0.000 0.898 2363 Q HN 0.203 nan 8.270 nan 0.000 0.424 2364 R N -0.417 120.085 120.500 0.002 0.000 2.105 2364 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 2364 R C 2.223 178.524 176.300 0.002 0.000 1.135 2364 R CA 1.466 57.568 56.100 0.003 0.000 0.967 2364 R CB -0.059 30.243 30.300 0.004 0.000 0.861 2364 R HN 0.217 nan 8.270 nan 0.000 0.442 2365 R N 0.049 120.549 120.500 0.001 0.000 2.083 2365 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 2365 R C 2.168 178.469 176.300 0.001 0.000 1.137 2365 R CA 1.708 57.809 56.100 0.001 0.000 0.951 2365 R CB -0.281 30.018 30.300 -0.001 0.000 0.851 2365 R HN 0.190 nan 8.270 nan 0.000 0.434 2366 E N 0.323 120.524 120.200 0.001 0.000 2.058 2366 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 2366 E C 2.022 178.624 176.600 0.002 0.000 0.997 2366 E CA 0.993 57.394 56.400 0.001 0.000 0.801 2366 E CB -0.237 29.464 29.700 0.001 0.000 0.746 2366 E HN 0.049 nan 8.360 nan 0.000 0.450 2367 V N 1.781 121.696 119.914 0.003 0.000 2.392 2367 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 2367 V C 1.803 177.900 176.094 0.004 0.000 1.059 2367 V CA 1.826 64.128 62.300 0.003 0.000 1.051 2367 V CB -0.537 31.288 31.823 0.004 0.000 0.658 2367 V HN 0.295 nan 8.190 nan 0.000 0.455 2368 N N 0.251 118.954 118.700 0.004 0.000 2.270 2368 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 2368 N C 1.812 177.324 175.510 0.005 0.000 1.016 2368 N CA 1.005 54.057 53.050 0.005 0.000 0.870 2368 N CB -0.165 38.325 38.487 0.005 0.000 0.979 2368 N HN 0.539 nan 8.380 nan 0.000 0.431 2369 K N 1.423 121.825 120.400 0.004 0.000 2.148 2369 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 2369 K C 1.442 178.044 176.600 0.004 0.000 1.050 2369 K CA 0.840 57.129 56.287 0.004 0.000 0.942 2369 K CB -0.139 32.362 32.500 0.003 0.000 0.724 2369 K HN 0.211 nan 8.250 nan 0.000 0.446 2370 K N 0.000 120.402 120.400 0.004 0.000 2.780 2370 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2370 K CA 0.000 56.289 56.287 0.004 0.000 0.838 2370 K CB 0.000 32.502 32.500 0.003 0.000 1.064 2370 K HN 0.000 nan 8.250 nan 0.000 0.543