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 2wvm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRLEIPNHTE RFGVVRLHEV QRILELDSGR VRDESPAVGL RRLDDADLRD DATA SEQUENCE VLEQTAIVVP TRNERLKLLE GVLSGIPHEA LILVASNSSP DRFQMERDLL DATA SEQUENCE EEFAHLTERP ALIFHQKDPA LAEALRAGGY PHPIGEDGLV RSGKAEGMIL DATA SEQUENCE ALVFAALSGR RYVGFIDADN YFPGAVWEYV RAYAAGFLMA KTPFAMVRIL DATA SEQUENCE WRXXXXXXXX XXXXXRRYGR VSERNNRALN QLIGGVSGFE TDVVKTANAG DATA SEQUENCE EHAMSLGLAL RLPLASGYAV EPQELVSLLE LYGGVFPLED EEVLQHGVEI DATA SEQUENCE FQIETRNPAL HENKGDEHIR DMLLACLATV YHSKLATEEV RQSVLEELQA DATA SEQUENCE AXXXXXXEEP PPPVLYPPLS SLDLQAVRKA LRGHFSRFRV P 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 2 R N 3.656 124.165 120.500 0.015 0.000 2.387 2 R HA 0.820 5.157 4.340 -0.005 0.000 0.314 2 R C -1.837 174.470 176.300 0.013 0.000 0.958 2 R CA -0.409 55.698 56.100 0.012 0.000 0.846 2 R CB 1.261 31.572 30.300 0.018 0.000 1.147 2 R HN 0.675 nan 8.270 nan 0.000 0.447 3 L N 2.012 123.241 121.223 0.008 0.000 2.333 3 L HA 0.406 4.743 4.340 -0.005 0.000 0.269 3 L C 0.134 177.015 176.870 0.019 0.000 1.010 3 L CA -0.743 54.105 54.840 0.015 0.000 0.818 3 L CB 1.872 43.936 42.059 0.008 0.000 1.306 3 L HN 0.541 nan 8.230 nan 0.000 0.430 4 E N 0.967 121.182 120.200 0.025 0.000 2.438 4 E HA 0.122 4.470 4.350 -0.005 0.000 0.261 4 E C -0.683 175.931 176.600 0.023 0.000 1.103 4 E CA 0.173 56.588 56.400 0.025 0.000 0.959 4 E CB 0.656 30.373 29.700 0.029 0.000 0.958 4 E HN 0.319 nan 8.360 nan 0.000 0.447 5 I N 3.620 124.202 120.570 0.021 0.000 2.428 5 I HA 0.129 4.297 4.170 -0.005 0.000 0.289 5 I C -2.045 174.080 176.117 0.014 0.000 1.019 5 I CA -2.243 59.066 61.300 0.015 0.000 1.351 5 I CB 0.910 38.921 38.000 0.019 0.000 1.412 5 I HN 0.245 nan 8.210 nan 0.000 0.513 6 P HA 0.079 nan 4.420 nan 0.000 0.262 6 P C -0.154 177.161 177.300 0.024 0.000 1.199 6 P CA 0.206 63.303 63.100 -0.004 0.000 0.763 6 P CB 0.241 31.929 31.700 -0.020 0.000 0.790 7 N N 1.562 120.286 118.700 0.040 0.000 2.272 7 N HA -0.182 4.556 4.740 -0.005 0.000 0.185 7 N C 0.390 176.013 175.510 0.189 0.000 1.014 7 N CA 0.964 54.078 53.050 0.106 0.000 0.870 7 N CB -0.328 38.244 38.487 0.142 0.000 0.975 7 N HN 0.718 nan 8.380 nan 0.000 0.433 8 H N -4.397 114.694 119.070 0.035 0.000 3.003 8 H HA 0.452 5.006 4.556 -0.005 0.000 0.327 8 H C -1.688 173.663 175.328 0.040 0.000 1.353 8 H CA -1.079 54.987 56.048 0.030 0.000 1.142 8 H CB 1.078 30.845 29.762 0.007 0.000 1.864 8 H HN -0.300 nan 8.280 nan 0.000 0.529 9 T N 1.807 116.397 114.554 0.060 0.000 2.921 9 T HA 0.241 4.588 4.350 -0.005 0.000 0.297 9 T C -0.933 173.761 174.700 -0.010 0.000 1.013 9 T CA -0.960 61.108 62.100 -0.053 0.000 0.990 9 T CB 1.744 70.582 68.868 -0.049 0.000 1.023 9 T HN 0.541 nan 8.240 nan 0.000 0.447 10 E N 2.509 122.675 120.200 -0.056 0.000 2.130 10 E HA 0.284 4.631 4.350 -0.005 0.000 0.284 10 E C -0.184 176.421 176.600 0.008 0.000 1.018 10 E CA -0.395 56.007 56.400 0.003 0.000 0.817 10 E CB 1.097 30.788 29.700 -0.016 0.000 1.078 10 E HN 0.357 nan 8.360 nan 0.000 0.396 11 R N 2.257 122.786 120.500 0.048 0.000 2.254 11 R HA 0.364 4.702 4.340 -0.005 0.000 0.318 11 R C -0.512 175.910 176.300 0.204 0.000 1.031 11 R CA -0.148 55.999 56.100 0.079 0.000 0.905 11 R CB 0.687 31.016 30.300 0.049 0.000 1.050 11 R HN 0.414 nan 8.270 nan 0.000 0.456 12 F N 3.576 123.517 119.950 -0.015 0.000 3.034 12 F HA 0.338 4.862 4.527 -0.005 0.000 0.371 12 F C 0.668 176.470 175.800 0.003 0.000 1.233 12 F CA 0.093 58.089 58.000 -0.007 0.000 1.134 12 F CB 0.796 39.790 39.000 -0.011 0.000 1.495 12 F HN 0.794 nan 8.300 nan 0.000 0.563 13 G N 2.788 111.478 108.800 -0.185 0.000 2.583 13 G HA2 -0.372 3.585 3.960 -0.005 0.000 0.292 13 G HA3 -0.372 3.585 3.960 -0.005 0.000 0.292 13 G C 0.629 175.493 174.900 -0.060 0.000 1.203 13 G CA 0.407 45.401 45.100 -0.177 0.000 0.987 13 G HN 1.387 nan 8.290 nan 0.000 0.554 14 V N -1.035 118.854 119.914 -0.043 0.000 3.649 14 V HA 0.534 4.651 4.120 -0.005 0.000 0.275 14 V C 1.215 177.316 176.094 0.011 0.000 1.281 14 V CA 0.727 63.018 62.300 -0.015 0.000 1.143 14 V CB -0.111 31.690 31.823 -0.037 0.000 0.892 14 V HN 0.941 nan 8.190 nan 0.000 0.441 15 V N 1.851 121.787 119.914 0.036 0.000 2.583 15 V HA 0.479 4.596 4.120 -0.005 0.000 0.287 15 V C 0.259 176.377 176.094 0.040 0.000 1.051 15 V CA -0.152 62.194 62.300 0.077 0.000 1.010 15 V CB 0.864 32.777 31.823 0.151 0.000 0.988 15 V HN 0.523 nan 8.190 nan 0.000 0.478 16 R N 3.936 124.415 120.500 -0.035 0.000 2.451 16 R HA 0.605 4.942 4.340 -0.005 0.000 0.307 16 R C -1.097 175.004 176.300 -0.332 0.000 0.965 16 R CA -0.307 55.686 56.100 -0.178 0.000 0.865 16 R CB 1.602 31.751 30.300 -0.252 0.000 1.174 16 R HN 0.699 nan 8.270 nan 0.000 0.455 17 L N 3.748 124.799 121.223 -0.288 0.000 2.294 17 L HA 0.450 4.787 4.340 -0.005 0.000 0.283 17 L C -0.689 175.977 176.870 -0.339 0.000 1.015 17 L CA -0.671 54.016 54.840 -0.255 0.000 0.831 17 L CB 0.610 42.609 42.059 -0.100 0.000 1.217 17 L HN 0.712 nan 8.230 nan 0.000 0.420 18 H N 1.993 120.923 119.070 -0.233 0.000 2.525 18 H HA 0.212 4.765 4.556 -0.005 0.000 0.339 18 H C -0.294 174.908 175.328 -0.209 0.000 1.109 18 H CA -0.601 55.293 56.048 -0.257 0.000 1.352 18 H CB 1.182 30.726 29.762 -0.364 0.000 1.461 18 H HN 0.463 nan 8.280 nan 0.000 0.533 19 E N 1.573 121.691 120.200 -0.137 0.000 2.418 19 E HA 0.015 4.362 4.350 -0.005 0.000 0.261 19 E C -0.488 176.083 176.600 -0.049 0.000 1.070 19 E CA -0.249 56.037 56.400 -0.191 0.000 0.931 19 E CB 0.525 29.993 29.700 -0.387 0.000 0.954 19 E HN 0.330 nan 8.360 nan 0.000 0.439 20 V N 4.247 124.148 119.914 -0.022 0.000 2.752 20 V HA -0.130 3.987 4.120 -0.005 0.000 0.306 20 V C 0.341 176.455 176.094 0.033 0.000 1.099 20 V CA 0.974 63.289 62.300 0.024 0.000 1.240 20 V CB 0.134 31.971 31.823 0.023 0.000 0.887 20 V HN 0.610 nan 8.190 nan 0.000 0.499 21 Q N 4.644 124.479 119.800 0.059 0.000 2.341 21 Q HA 0.435 4.772 4.340 -0.005 0.000 0.268 21 Q C -0.446 175.589 176.000 0.058 0.000 1.013 21 Q CA -0.609 55.228 55.803 0.056 0.000 0.798 21 Q CB 2.015 30.797 28.738 0.074 0.000 1.253 21 Q HN 0.630 nan 8.270 nan 0.000 0.457 22 R N 1.920 122.450 120.500 0.049 0.000 2.543 22 R HA 0.264 4.601 4.340 -0.005 0.000 0.277 22 R C -0.053 176.277 176.300 0.050 0.000 1.074 22 R CA -0.161 55.971 56.100 0.054 0.000 1.076 22 R CB 0.616 30.945 30.300 0.047 0.000 0.993 22 R HN 0.513 nan 8.270 nan 0.000 0.459 23 I N 3.976 124.580 120.570 0.058 0.000 2.533 23 I HA -0.093 4.074 4.170 -0.005 0.000 0.284 23 I C 1.273 177.418 176.117 0.047 0.000 1.109 23 I CA 0.297 61.624 61.300 0.046 0.000 1.412 23 I CB 0.642 38.671 38.000 0.048 0.000 1.396 23 I HN 0.558 nan 8.210 nan 0.000 0.543 24 L N 4.867 126.113 121.223 0.038 0.000 2.388 24 L HA 0.265 4.602 4.340 -0.005 0.000 0.209 24 L C 0.737 177.628 176.870 0.035 0.000 1.061 24 L CA 0.397 55.258 54.840 0.035 0.000 0.834 24 L CB 0.206 42.282 42.059 0.029 0.000 1.029 24 L HN 0.597 nan 8.230 nan 0.000 0.473 25 E N 0.051 120.273 120.200 0.036 0.000 2.260 25 E HA 0.213 4.560 4.350 -0.005 0.000 0.266 25 E C 0.307 176.940 176.600 0.055 0.000 0.887 25 E CA -0.271 56.153 56.400 0.040 0.000 0.777 25 E CB 2.114 31.833 29.700 0.033 0.000 1.205 25 E HN 0.074 nan 8.360 nan 0.000 0.414 26 L N 2.592 123.858 121.223 0.073 0.000 2.083 26 L HA -0.019 4.318 4.340 -0.005 0.000 0.209 26 L C 0.567 177.538 176.870 0.168 0.000 1.083 26 L CA 1.165 56.081 54.840 0.127 0.000 0.752 26 L CB 0.213 42.363 42.059 0.152 0.000 0.899 26 L HN 0.543 nan 8.230 nan 0.000 0.433 27 D N -1.593 118.885 120.400 0.130 0.000 2.402 27 D HA 0.086 4.723 4.640 -0.005 0.000 0.252 27 D C 0.371 176.718 176.300 0.078 0.000 1.294 27 D CA -0.127 53.957 54.000 0.140 0.000 0.948 27 D CB 1.248 42.127 40.800 0.131 0.000 1.202 27 D HN -0.048 nan 8.370 nan 0.000 0.561 28 S N 1.944 117.681 115.700 0.062 0.000 2.660 28 S HA 0.488 4.955 4.470 -0.005 0.000 0.227 28 S C 1.215 175.836 174.600 0.034 0.000 0.948 28 S CA 0.382 58.605 58.200 0.039 0.000 0.948 28 S CB -0.369 62.849 63.200 0.028 0.000 0.779 28 S HN 0.850 nan 8.310 nan 0.000 0.487 29 G N 1.728 110.553 108.800 0.043 0.000 2.562 29 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.250 29 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.250 29 G C -0.670 174.249 174.900 0.031 0.000 1.269 29 G CA -0.586 44.534 45.100 0.035 0.000 0.919 29 G HN 0.622 nan 8.290 nan 0.000 0.574 30 R N 0.075 120.590 120.500 0.024 0.000 2.275 30 R HA 0.507 4.844 4.340 -0.005 0.000 0.326 30 R C 0.652 176.961 176.300 0.016 0.000 0.973 30 R CA -0.114 55.998 56.100 0.020 0.000 0.854 30 R CB 1.615 31.926 30.300 0.018 0.000 1.156 30 R HN 1.081 nan 8.270 nan 0.000 0.487 31 V N 2.250 122.173 119.914 0.015 0.000 2.872 31 V HA 0.121 4.238 4.120 -0.005 0.000 0.307 31 V C 0.500 176.600 176.094 0.012 0.000 1.072 31 V CA 0.502 62.809 62.300 0.013 0.000 1.148 31 V CB 1.200 33.030 31.823 0.012 0.000 0.954 31 V HN 0.916 nan 8.190 nan 0.000 0.490 32 R N 1.423 121.929 120.500 0.010 0.000 2.570 32 R HA 0.267 4.604 4.340 -0.005 0.000 0.203 32 R C 0.444 176.749 176.300 0.009 0.000 0.968 32 R CA 0.187 56.293 56.100 0.009 0.000 1.514 32 R CB 0.097 30.403 30.300 0.009 0.000 1.719 32 R HN 0.962 nan 8.270 nan 0.000 0.503 33 D N -0.220 120.186 120.400 0.009 0.000 2.636 33 D HA 0.323 4.960 4.640 -0.005 0.000 0.236 33 D C -0.986 175.320 176.300 0.010 0.000 1.176 33 D CA -0.201 53.805 54.000 0.009 0.000 1.081 33 D CB 1.877 42.681 40.800 0.008 0.000 1.213 33 D HN -0.188 nan 8.370 nan 0.000 0.633 34 E N -0.809 119.397 120.200 0.010 0.000 2.378 34 E HA 0.377 4.724 4.350 -0.005 0.000 0.283 34 E C -1.948 174.658 176.600 0.010 0.000 0.979 34 E CA -0.453 55.953 56.400 0.010 0.000 0.795 34 E CB 1.549 31.256 29.700 0.011 0.000 1.221 34 E HN 0.149 nan 8.360 nan 0.000 0.428 35 S N 4.017 119.724 115.700 0.011 0.000 2.705 35 S HA 0.256 4.723 4.470 -0.005 0.000 0.163 35 S C -2.764 171.843 174.600 0.012 0.000 0.785 35 S CA -0.944 57.263 58.200 0.011 0.000 0.990 35 S CB 0.376 63.582 63.200 0.011 0.000 1.526 35 S HN 0.342 nan 8.310 nan 0.000 0.434 36 P HA 0.317 nan 4.420 nan 0.000 0.259 36 P C 0.076 177.384 177.300 0.014 0.000 1.635 36 P CA -0.005 63.104 63.100 0.014 0.000 1.199 36 P CB -0.170 31.539 31.700 0.015 0.000 1.850 37 A N 3.316 126.144 122.820 0.013 0.000 2.492 37 A HA 0.191 4.508 4.320 -0.005 0.000 0.254 37 A C 1.741 179.334 177.584 0.015 0.000 1.091 37 A CA -0.126 51.919 52.037 0.013 0.000 0.768 37 A CB 0.113 19.121 19.000 0.013 0.000 1.028 37 A HN 0.443 nan 8.150 nan 0.000 0.498 38 V N 2.698 122.621 119.914 0.015 0.000 2.265 38 V HA -0.354 3.763 4.120 -0.005 0.000 0.259 38 V C 2.099 178.203 176.094 0.017 0.000 1.084 38 V CA 2.904 65.214 62.300 0.016 0.000 1.076 38 V CB -1.849 29.984 31.823 0.016 0.000 0.680 38 V HN 1.122 nan 8.190 nan 0.000 0.452 39 G N 1.244 110.054 108.800 0.017 0.000 2.450 39 G HA2 0.098 4.055 3.960 -0.005 0.000 0.220 39 G HA3 0.098 4.055 3.960 -0.005 0.000 0.220 39 G C 0.466 175.377 174.900 0.019 0.000 1.130 39 G CA 1.551 46.662 45.100 0.018 0.000 0.760 39 G HN 1.007 nan 8.290 nan 0.000 0.557 40 L N -4.590 116.643 121.223 0.017 0.000 2.502 40 L HA 0.756 5.093 4.340 -0.005 0.000 0.253 40 L C -0.915 175.964 176.870 0.014 0.000 1.070 40 L CA -1.667 53.182 54.840 0.016 0.000 0.871 40 L CB 1.302 43.371 42.059 0.016 0.000 1.487 40 L HN -0.343 nan 8.230 nan 0.000 0.408 41 R N 1.063 121.569 120.500 0.011 0.000 2.393 41 R HA 0.610 4.947 4.340 -0.005 0.000 0.310 41 R C -1.015 175.286 176.300 0.002 0.000 0.968 41 R CA -0.640 55.464 56.100 0.006 0.000 0.867 41 R CB 2.056 32.357 30.300 0.002 0.000 1.124 41 R HN 0.704 nan 8.270 nan 0.000 0.450 42 R N 3.543 124.044 120.500 0.002 0.000 2.561 42 R HA 0.462 4.799 4.340 -0.005 0.000 0.297 42 R C -1.178 175.119 176.300 -0.004 0.000 0.969 42 R CA -0.645 55.456 56.100 0.002 0.000 0.879 42 R CB 1.144 31.449 30.300 0.008 0.000 1.178 42 R HN 0.480 nan 8.270 nan 0.000 0.445 43 L N 3.049 124.266 121.223 -0.009 0.000 2.333 43 L HA 0.357 4.694 4.340 -0.005 0.000 0.280 43 L C -0.339 176.527 176.870 -0.006 0.000 1.004 43 L CA -0.863 53.966 54.840 -0.017 0.000 0.820 43 L CB 1.997 44.031 42.059 -0.041 0.000 1.247 43 L HN 0.607 nan 8.230 nan 0.000 0.416 44 D N 0.827 121.226 120.400 -0.002 0.000 2.382 44 D HA -0.030 4.607 4.640 -0.005 0.000 0.245 44 D C 0.827 177.132 176.300 0.009 0.000 1.120 44 D CA 0.078 54.082 54.000 0.007 0.000 0.890 44 D CB 1.307 42.113 40.800 0.009 0.000 1.201 44 D HN 0.646 nan 8.370 nan 0.000 0.433 45 D N 2.813 123.226 120.400 0.023 0.000 2.104 45 D HA -0.225 4.412 4.640 -0.005 0.000 0.194 45 D C 1.829 178.146 176.300 0.029 0.000 0.994 45 D CA 1.911 55.931 54.000 0.035 0.000 0.830 45 D CB -0.026 40.806 40.800 0.053 0.000 0.959 45 D HN 0.434 nan 8.370 nan 0.000 0.452 46 A N 0.516 123.352 122.820 0.026 0.000 1.873 46 A HA -0.255 4.062 4.320 -0.005 0.000 0.218 46 A C 2.018 179.613 177.584 0.018 0.000 1.193 46 A CA 2.256 54.308 52.037 0.024 0.000 0.629 46 A CB -0.914 18.099 19.000 0.021 0.000 0.826 46 A HN 0.305 nan 8.150 nan 0.000 0.447 47 D N -0.051 120.355 120.400 0.010 0.000 2.104 47 D HA -0.134 4.503 4.640 -0.005 0.000 0.194 47 D C 1.987 178.283 176.300 -0.008 0.000 0.994 47 D CA 1.198 55.200 54.000 0.003 0.000 0.830 47 D CB -0.496 40.303 40.800 -0.002 0.000 0.959 47 D HN 0.461 nan 8.370 nan 0.000 0.452 48 L N 0.637 121.850 121.223 -0.017 0.000 1.990 48 L HA -0.230 4.107 4.340 -0.005 0.000 0.213 48 L C 2.654 179.511 176.870 -0.021 0.000 1.072 48 L CA 1.569 56.387 54.840 -0.036 0.000 0.755 48 L CB -0.316 41.714 42.059 -0.048 0.000 0.889 48 L HN 0.015 nan 8.230 nan 0.000 0.432 49 R N -0.422 120.083 120.500 0.008 0.000 2.075 49 R HA -0.132 4.205 4.340 -0.005 0.000 0.232 49 R C 1.863 178.183 176.300 0.032 0.000 1.126 49 R CA 1.398 57.516 56.100 0.030 0.000 0.963 49 R CB -0.572 29.761 30.300 0.055 0.000 0.858 49 R HN 0.363 nan 8.270 nan 0.000 0.435 50 D N 0.655 121.071 120.400 0.027 0.000 2.149 50 D HA -0.115 4.523 4.640 -0.005 0.000 0.198 50 D C 2.001 178.322 176.300 0.035 0.000 0.990 50 D CA 0.941 54.960 54.000 0.031 0.000 0.839 50 D CB -0.190 40.626 40.800 0.027 0.000 0.948 50 D HN -0.004 nan 8.370 nan 0.000 0.460 51 V N 0.833 120.754 119.914 0.012 0.000 2.307 51 V HA -0.186 3.931 4.120 -0.005 0.000 0.245 51 V C 2.571 178.671 176.094 0.009 0.000 1.045 51 V CA 1.078 63.369 62.300 -0.016 0.000 1.024 51 V CB -0.377 31.385 31.823 -0.102 0.000 0.651 51 V HN 0.226 nan 8.190 nan 0.000 0.449 52 L N -0.445 120.785 121.223 0.011 0.000 2.201 52 L HA -0.176 4.161 4.340 -0.005 0.000 0.212 52 L C 2.478 179.377 176.870 0.048 0.000 1.105 52 L CA 1.357 56.216 54.840 0.032 0.000 0.775 52 L CB -0.525 41.543 42.059 0.015 0.000 0.913 52 L HN 0.425 nan 8.230 nan 0.000 0.440 53 E N -0.149 120.080 120.200 0.048 0.000 2.204 53 E HA -0.233 4.114 4.350 -0.005 0.000 0.195 53 E C 1.684 178.312 176.600 0.047 0.000 0.990 53 E CA 0.801 57.227 56.400 0.043 0.000 0.821 53 E CB 0.087 29.813 29.700 0.044 0.000 0.750 53 E HN 0.541 nan 8.360 nan 0.000 0.477 54 Q N -0.138 119.711 119.800 0.081 0.000 2.320 54 Q HA 0.062 4.399 4.340 -0.005 0.000 0.201 54 Q C -0.440 175.640 176.000 0.134 0.000 0.910 54 Q CA 0.266 56.127 55.803 0.098 0.000 0.946 54 Q CB 0.939 29.766 28.738 0.148 0.000 1.062 54 Q HN -0.020 nan 8.270 nan 0.000 0.503 55 T N 0.617 115.240 114.554 0.116 0.000 2.794 55 T HA 0.606 4.953 4.350 -0.005 0.000 0.280 55 T C -0.546 174.183 174.700 0.049 0.000 0.987 55 T CA -0.615 61.551 62.100 0.110 0.000 0.993 55 T CB 1.587 70.528 68.868 0.122 0.000 0.939 55 T HN 0.129 nan 8.240 nan 0.000 0.449 56 A N 3.499 126.327 122.820 0.015 0.000 2.306 56 A HA 0.740 5.058 4.320 -0.005 0.000 0.314 56 A C -0.413 177.144 177.584 -0.044 0.000 1.164 56 A CA -0.690 51.338 52.037 -0.016 0.000 0.822 56 A CB 0.329 19.305 19.000 -0.040 0.000 1.130 56 A HN 0.724 nan 8.150 nan 0.000 0.496 57 I N 3.584 124.136 120.570 -0.030 0.000 2.390 57 I HA 0.203 4.370 4.170 -0.005 0.000 0.283 57 I C -0.250 175.820 176.117 -0.078 0.000 1.016 57 I CA -0.423 60.854 61.300 -0.038 0.000 1.151 57 I CB 1.026 39.060 38.000 0.055 0.000 1.293 57 I HN 0.279 nan 8.210 nan 0.000 0.458 58 V N 7.344 127.132 119.914 -0.209 0.000 2.488 58 V HA 0.199 4.316 4.120 -0.005 0.000 0.277 58 V C 0.367 176.456 176.094 -0.009 0.000 1.046 58 V CA -0.382 61.837 62.300 -0.136 0.000 0.986 58 V CB 1.679 33.337 31.823 -0.276 0.000 0.989 58 V HN 0.398 nan 8.190 nan 0.000 0.475 59 V N 8.428 128.343 119.914 0.001 0.000 2.293 59 V HA 0.340 4.457 4.120 -0.005 0.000 0.275 59 V C -2.102 173.982 176.094 -0.017 0.000 1.021 59 V CA -1.577 60.731 62.300 0.014 0.000 0.815 59 V CB 1.528 33.340 31.823 -0.018 0.000 1.025 59 V HN 0.751 nan 8.190 nan 0.000 0.448 60 P HA 0.381 nan 4.420 nan 0.000 0.284 60 P C -0.473 176.799 177.300 -0.047 0.000 1.253 60 P CA -0.085 62.999 63.100 -0.026 0.000 0.800 60 P CB 1.863 33.579 31.700 0.027 0.000 0.961 61 T N 2.023 116.525 114.554 -0.086 0.000 3.041 61 T HA 0.410 4.757 4.350 -0.005 0.000 0.321 61 T C -1.342 173.311 174.700 -0.079 0.000 1.184 61 T CA -0.725 61.333 62.100 -0.070 0.000 1.050 61 T CB 0.993 69.821 68.868 -0.066 0.000 1.159 61 T HN 0.400 nan 8.240 nan 0.000 0.469 62 R N 4.138 124.607 120.500 -0.051 0.000 2.625 62 R HA 0.263 4.601 4.340 -0.005 0.000 0.286 62 R C -0.225 176.069 176.300 -0.010 0.000 1.406 62 R CA -0.317 55.761 56.100 -0.037 0.000 1.052 62 R CB 0.098 30.374 30.300 -0.040 0.000 1.203 62 R HN 0.915 nan 8.270 nan 0.000 0.502 63 N N 1.133 119.838 118.700 0.008 0.000 2.708 63 N HA -0.204 4.534 4.740 -0.005 0.000 0.249 63 N C -0.463 175.047 175.510 0.000 0.000 1.097 63 N CA 1.103 54.162 53.050 0.016 0.000 0.710 63 N CB -0.498 38.004 38.487 0.024 0.000 1.032 63 N HN 0.608 nan 8.380 nan 0.000 0.551 64 E N 0.906 121.097 120.200 -0.014 0.000 2.390 64 E HA 0.198 4.545 4.350 -0.005 0.000 0.261 64 E C 0.605 177.186 176.600 -0.031 0.000 1.076 64 E CA -0.125 56.256 56.400 -0.031 0.000 0.905 64 E CB 0.606 30.279 29.700 -0.045 0.000 0.984 64 E HN 0.128 nan 8.360 nan 0.000 0.427 65 R N 2.986 123.462 120.500 -0.041 0.000 2.543 65 R HA 0.119 4.456 4.340 -0.005 0.000 0.277 65 R C 1.314 177.586 176.300 -0.047 0.000 1.074 65 R CA -0.249 55.829 56.100 -0.035 0.000 1.076 65 R CB 0.405 30.686 30.300 -0.031 0.000 0.993 65 R HN 0.539 nan 8.270 nan 0.000 0.459 66 L N 2.480 123.680 121.223 -0.038 0.000 2.046 66 L HA -0.235 4.102 4.340 -0.005 0.000 0.208 66 L C 2.209 179.044 176.870 -0.058 0.000 1.077 66 L CA 1.700 56.512 54.840 -0.047 0.000 0.747 66 L CB -0.390 41.647 42.059 -0.035 0.000 0.896 66 L HN 0.633 nan 8.230 nan 0.000 0.432 67 K N 0.214 120.585 120.400 -0.048 0.000 2.032 67 K HA -0.192 4.125 4.320 -0.005 0.000 0.209 67 K C 2.115 178.670 176.600 -0.075 0.000 1.048 67 K CA 1.333 57.589 56.287 -0.052 0.000 0.927 67 K CB -0.303 32.176 32.500 -0.035 0.000 0.712 67 K HN 0.203 nan 8.250 nan 0.000 0.441 68 L N 0.655 121.828 121.223 -0.083 0.000 2.013 68 L HA -0.245 4.092 4.340 -0.005 0.000 0.212 68 L C 2.485 179.282 176.870 -0.122 0.000 1.073 68 L CA 0.854 55.622 54.840 -0.120 0.000 0.753 68 L CB -0.479 41.486 42.059 -0.156 0.000 0.890 68 L HN 0.239 nan 8.230 nan 0.000 0.432 69 L N -0.270 120.887 121.223 -0.111 0.000 2.056 69 L HA -0.196 4.141 4.340 -0.005 0.000 0.207 69 L C 2.472 179.242 176.870 -0.168 0.000 1.078 69 L CA 1.804 56.572 54.840 -0.121 0.000 0.749 69 L CB -0.739 41.259 42.059 -0.102 0.000 0.901 69 L HN 0.248 nan 8.230 nan 0.000 0.433 70 E N -0.411 119.689 120.200 -0.167 0.000 2.152 70 E HA -0.132 4.215 4.350 -0.005 0.000 0.192 70 E C 2.023 178.478 176.600 -0.241 0.000 0.983 70 E CA 0.954 57.211 56.400 -0.239 0.000 0.818 70 E CB -0.247 29.362 29.700 -0.152 0.000 0.758 70 E HN 0.616 nan 8.360 nan 0.000 0.467 71 G N 0.981 109.689 108.800 -0.153 0.000 2.440 71 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.218 71 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.218 71 G C 1.738 176.567 174.900 -0.119 0.000 1.154 71 G CA 0.965 45.992 45.100 -0.120 0.000 0.767 71 G HN 0.231 nan 8.290 nan 0.000 0.552 72 V N 0.823 120.660 119.914 -0.127 0.000 2.407 72 V HA -0.105 4.013 4.120 -0.005 0.000 0.248 72 V C 2.913 178.939 176.094 -0.115 0.000 1.055 72 V CA 1.343 63.590 62.300 -0.088 0.000 1.049 72 V CB -0.323 31.456 31.823 -0.073 0.000 0.662 72 V HN 0.349 nan 8.190 nan 0.000 0.455 73 L N 0.661 121.726 121.223 -0.263 0.000 2.017 73 L HA -0.154 4.184 4.340 -0.005 0.000 0.208 73 L C 2.719 179.392 176.870 -0.328 0.000 1.073 73 L CA 1.915 56.491 54.840 -0.441 0.000 0.745 73 L CB -0.785 40.686 42.059 -0.980 0.000 0.894 73 L HN 0.567 nan 8.230 nan 0.000 0.432 74 S N -0.345 115.186 115.700 -0.282 0.000 2.442 74 S HA -0.109 4.358 4.470 -0.005 0.000 0.236 74 S C 1.848 176.541 174.600 0.154 0.000 1.007 74 S CA 0.987 59.252 58.200 0.108 0.000 0.965 74 S CB -0.644 62.608 63.200 0.087 0.000 0.773 74 S HN 0.456 nan 8.310 nan 0.000 0.504 75 G N 0.716 109.571 108.800 0.092 0.000 2.683 75 G HA2 0.311 4.268 3.960 -0.005 0.000 0.213 75 G HA3 0.311 4.268 3.960 -0.005 0.000 0.213 75 G C 0.475 175.525 174.900 0.250 0.000 1.142 75 G CA -0.363 44.831 45.100 0.158 0.000 0.793 75 G HN 0.550 nan 8.290 nan 0.000 0.534 76 I N 2.552 123.240 120.570 0.197 0.000 2.471 76 I HA 0.173 4.341 4.170 -0.005 0.000 0.286 76 I C -1.924 174.341 176.117 0.248 0.000 1.079 76 I CA -1.948 59.462 61.300 0.185 0.000 1.398 76 I CB 1.246 39.326 38.000 0.134 0.000 1.403 76 I HN -0.081 nan 8.210 nan 0.000 0.530 77 P HA -0.092 nan 4.420 nan 0.000 0.265 77 P C 0.464 177.893 177.300 0.215 0.000 1.187 77 P CA 0.256 63.513 63.100 0.261 0.000 0.766 77 P CB 0.432 32.199 31.700 0.111 0.000 0.820 78 H N 2.440 121.596 119.070 0.144 0.000 2.357 78 H HA -0.226 4.327 4.556 -0.006 0.000 0.296 78 H C 1.280 176.654 175.328 0.077 0.000 1.108 78 H CA 2.292 58.397 56.048 0.096 0.000 1.273 78 H CB -0.007 29.795 29.762 0.067 0.000 1.367 78 H HN 0.432 nan 8.280 nan 0.000 0.498 79 E N 0.202 120.452 120.200 0.084 0.000 2.265 79 E HA 0.055 4.402 4.350 -0.005 0.000 0.196 79 E C 0.448 177.028 176.600 -0.035 0.000 0.996 79 E CA 0.768 57.175 56.400 0.011 0.000 0.832 79 E CB -0.009 29.737 29.700 0.078 0.000 0.756 79 E HN 0.558 nan 8.360 nan 0.000 0.491 80 A N 0.452 123.267 122.820 -0.010 0.000 2.304 80 A HA 0.433 4.750 4.320 -0.005 0.000 0.301 80 A C -0.499 177.083 177.584 -0.003 0.000 1.132 80 A CA -0.641 51.403 52.037 0.011 0.000 0.819 80 A CB 0.485 19.512 19.000 0.043 0.000 1.094 80 A HN 0.176 nan 8.150 nan 0.000 0.492 81 L N 2.415 123.643 121.223 0.008 0.000 2.331 81 L HA 0.450 4.787 4.340 -0.005 0.000 0.278 81 L C -0.465 176.420 176.870 0.026 0.000 1.106 81 L CA 0.134 54.983 54.840 0.015 0.000 0.824 81 L CB 0.297 42.370 42.059 0.023 0.000 1.142 81 L HN 0.529 nan 8.230 nan 0.000 0.443 82 I N 6.541 127.135 120.570 0.039 0.000 2.297 82 I HA 0.241 4.408 4.170 -0.005 0.000 0.291 82 I C -0.559 175.572 176.117 0.023 0.000 1.033 82 I CA -0.187 61.135 61.300 0.037 0.000 1.253 82 I CB 0.486 38.525 38.000 0.066 0.000 1.396 82 I HN 0.416 nan 8.210 nan 0.000 0.476 83 L N 7.022 128.250 121.223 0.010 0.000 2.272 83 L HA 0.527 4.864 4.340 -0.005 0.000 0.289 83 L C -0.439 176.412 176.870 -0.031 0.000 1.032 83 L CA -0.961 53.889 54.840 0.016 0.000 0.810 83 L CB 1.290 43.401 42.059 0.088 0.000 1.205 83 L HN 0.228 nan 8.230 nan 0.000 0.422 84 V N 2.901 122.753 119.914 -0.102 0.000 2.318 84 V HA 0.427 4.544 4.120 -0.005 0.000 0.271 84 V C 0.627 176.411 176.094 -0.516 0.000 1.030 84 V CA -0.407 61.775 62.300 -0.197 0.000 0.844 84 V CB 1.219 32.957 31.823 -0.141 0.000 1.015 84 V HN 0.870 nan 8.190 nan 0.000 0.460 85 A N 4.135 126.622 122.820 -0.556 0.000 2.316 85 A HA 0.666 4.983 4.320 -0.005 0.000 0.311 85 A C 0.318 177.568 177.584 -0.557 0.000 1.339 85 A CA -0.114 51.331 52.037 -0.987 0.000 0.960 85 A CB 0.648 19.431 19.000 -0.360 0.000 1.152 85 A HN 0.737 nan 8.150 nan 0.000 0.547 86 S N 1.591 116.929 115.700 -0.604 0.000 2.638 86 S HA 0.535 5.002 4.470 -0.005 0.000 0.298 86 S C 0.287 174.503 174.600 -0.640 0.000 1.111 86 S CA -0.587 57.381 58.200 -0.387 0.000 1.027 86 S CB 0.873 64.025 63.200 -0.079 0.000 1.064 86 S HN 0.797 nan 8.310 nan 0.000 0.525 87 N N 1.490 119.886 118.700 -0.506 0.000 2.361 87 N HA 0.128 4.866 4.740 -0.005 0.000 0.253 87 N C -0.655 174.767 175.510 -0.146 0.000 1.413 87 N CA -0.188 52.534 53.050 -0.545 0.000 0.821 87 N CB 0.475 38.809 38.487 -0.256 0.000 1.380 87 N HN 0.485 nan 8.380 nan 0.000 0.493 88 S N 0.332 116.018 115.700 -0.023 0.000 2.626 88 S HA 0.155 4.622 4.470 -0.005 0.000 0.257 88 S C 0.658 175.396 174.600 0.231 0.000 1.288 88 S CA -0.507 57.770 58.200 0.128 0.000 0.980 88 S CB 1.051 64.336 63.200 0.141 0.000 0.975 88 S HN 0.420 nan 8.310 nan 0.000 0.577 89 S N 1.065 116.851 115.700 0.142 0.000 2.579 89 S HA 0.151 4.618 4.470 -0.005 0.000 0.275 89 S C -2.147 172.527 174.600 0.124 0.000 1.345 89 S CA -0.903 57.361 58.200 0.106 0.000 1.031 89 S CB -0.002 63.239 63.200 0.069 0.000 0.892 89 S HN 0.381 nan 8.310 nan 0.000 0.529 90 P HA -0.052 nan 4.420 nan 0.000 0.217 90 P C 0.880 178.256 177.300 0.127 0.000 1.150 90 P CA 0.963 64.099 63.100 0.060 0.000 0.832 90 P CB -0.002 31.690 31.700 -0.013 0.000 0.787 91 D N -0.548 119.901 120.400 0.081 0.000 2.092 91 D HA -0.156 4.481 4.640 -0.005 0.000 0.193 91 D C 2.111 178.458 176.300 0.078 0.000 0.994 91 D CA 1.148 55.187 54.000 0.065 0.000 0.828 91 D CB -0.384 40.441 40.800 0.042 0.000 0.963 91 D HN 0.110 nan 8.370 nan 0.000 0.450 92 R N -0.537 120.021 120.500 0.098 0.000 2.096 92 R HA -0.121 4.216 4.340 -0.005 0.000 0.235 92 R C 2.323 178.696 176.300 0.123 0.000 1.127 92 R CA 0.549 56.703 56.100 0.089 0.000 0.968 92 R CB -0.466 29.884 30.300 0.083 0.000 0.861 92 R HN 0.193 nan 8.270 nan 0.000 0.440 93 F N 2.165 122.143 119.950 0.048 0.000 2.126 93 F HA -0.281 4.246 4.527 0.001 0.000 0.299 93 F C 2.510 178.329 175.800 0.033 0.000 1.096 93 F CA 1.883 59.925 58.000 0.069 0.000 1.255 93 F CB -0.369 38.731 39.000 0.168 0.000 0.997 93 F HN -0.063 nan 8.300 nan 0.000 0.479 94 Q N 0.442 120.193 119.800 -0.081 0.000 2.135 94 Q HA -0.206 4.131 4.340 -0.005 0.000 0.204 94 Q C 2.073 177.971 176.000 -0.171 0.000 0.981 94 Q CA 2.351 58.045 55.803 -0.181 0.000 0.856 94 Q CB -0.404 28.309 28.738 -0.042 0.000 0.902 94 Q HN 0.564 nan 8.270 nan 0.000 0.425 95 M N -0.623 118.920 119.600 -0.095 0.000 2.229 95 M HA -0.129 4.348 4.480 -0.005 0.000 0.264 95 M C 1.825 178.062 176.300 -0.106 0.000 1.063 95 M CA 1.594 56.849 55.300 -0.075 0.000 1.114 95 M CB -0.386 32.193 32.600 -0.035 0.000 1.387 95 M HN 0.228 nan 8.290 nan 0.000 0.420 96 E N 0.557 120.672 120.200 -0.143 0.000 2.047 96 E HA -0.134 4.213 4.350 -0.005 0.000 0.191 96 E C 2.178 178.652 176.600 -0.211 0.000 0.987 96 E CA 0.989 57.297 56.400 -0.155 0.000 0.799 96 E CB -0.050 29.581 29.700 -0.116 0.000 0.752 96 E HN 0.460 nan 8.360 nan 0.000 0.449 97 R N 0.945 121.228 120.500 -0.363 0.000 2.083 97 R HA -0.159 4.178 4.340 -0.005 0.000 0.237 97 R C 1.951 178.157 176.300 -0.156 0.000 1.137 97 R CA 1.553 57.472 56.100 -0.302 0.000 0.951 97 R CB -0.328 29.732 30.300 -0.399 0.000 0.851 97 R HN 0.182 nan 8.270 nan 0.000 0.434 98 D N 1.079 121.395 120.400 -0.140 0.000 2.103 98 D HA -0.207 4.430 4.640 -0.005 0.000 0.190 98 D C 1.923 178.199 176.300 -0.041 0.000 0.997 98 D CA 1.026 54.980 54.000 -0.078 0.000 0.833 98 D CB -0.475 40.284 40.800 -0.069 0.000 0.961 98 D HN 0.091 nan 8.370 nan 0.000 0.447 99 L N 0.089 121.284 121.223 -0.046 0.000 1.997 99 L HA -0.241 4.096 4.340 -0.005 0.000 0.216 99 L C 2.348 179.235 176.870 0.029 0.000 1.074 99 L CA 1.439 56.270 54.840 -0.016 0.000 0.763 99 L CB -0.283 41.747 42.059 -0.048 0.000 0.890 99 L HN 0.057 nan 8.230 nan 0.000 0.434 100 L N -0.216 121.008 121.223 0.003 0.000 2.027 100 L HA -0.218 4.119 4.340 -0.005 0.000 0.206 100 L C 2.463 179.398 176.870 0.108 0.000 1.074 100 L CA 2.077 56.953 54.840 0.060 0.000 0.745 100 L CB -0.705 41.355 42.059 0.002 0.000 0.898 100 L HN 0.427 nan 8.230 nan 0.000 0.433 101 E N -0.528 119.698 120.200 0.044 0.000 2.114 101 E HA -0.351 3.996 4.350 -0.005 0.000 0.199 101 E C 2.086 178.735 176.600 0.081 0.000 1.008 101 E CA 1.874 58.300 56.400 0.043 0.000 0.810 101 E CB -0.135 29.558 29.700 -0.011 0.000 0.739 101 E HN 0.697 nan 8.360 nan 0.000 0.456 102 E N -0.526 119.724 120.200 0.083 0.000 2.028 102 E HA -0.207 4.140 4.350 -0.005 0.000 0.191 102 E C 1.936 178.640 176.600 0.172 0.000 0.988 102 E CA 1.186 57.653 56.400 0.112 0.000 0.799 102 E CB -0.364 29.388 29.700 0.086 0.000 0.755 102 E HN 0.322 nan 8.360 nan 0.000 0.447 103 F N 1.247 121.220 119.950 0.039 0.000 2.065 103 F HA -0.228 4.294 4.527 -0.008 0.000 0.298 103 F C 2.062 177.894 175.800 0.052 0.000 1.112 103 F CA 2.080 60.102 58.000 0.037 0.000 1.212 103 F CB -0.621 38.390 39.000 0.018 0.000 0.975 103 F HN 0.129 nan 8.300 nan 0.000 0.476 104 A N -1.488 121.385 122.820 0.088 0.000 2.014 104 A HA -0.186 4.131 4.320 -0.005 0.000 0.218 104 A C 1.948 179.519 177.584 -0.021 0.000 1.163 104 A CA 1.637 53.669 52.037 -0.008 0.000 0.652 104 A CB -1.210 17.858 19.000 0.112 0.000 0.808 104 A HN 0.687 nan 8.150 nan 0.000 0.449 105 H N -0.145 118.894 119.070 -0.051 0.000 2.307 105 H HA 0.082 4.635 4.556 -0.006 0.000 0.303 105 H C 1.743 177.025 175.328 -0.077 0.000 1.073 105 H CA 1.796 57.817 56.048 -0.044 0.000 1.338 105 H CB -0.223 29.528 29.762 -0.019 0.000 1.389 105 H HN 0.318 nan 8.280 nan 0.000 0.503 106 L N -0.065 121.085 121.223 -0.121 0.000 2.046 106 L HA -0.119 4.218 4.340 -0.005 0.000 0.208 106 L C 2.041 178.763 176.870 -0.245 0.000 1.077 106 L CA 1.823 56.556 54.840 -0.178 0.000 0.747 106 L CB -0.487 41.520 42.059 -0.087 0.000 0.896 106 L HN 0.538 nan 8.230 nan 0.000 0.432 107 T N -4.226 110.126 114.554 -0.336 0.000 3.144 107 T HA 0.086 4.434 4.350 -0.005 0.000 0.249 107 T C 0.486 175.087 174.700 -0.166 0.000 1.089 107 T CA -0.309 61.603 62.100 -0.315 0.000 0.989 107 T CB -0.128 68.390 68.868 -0.583 0.000 0.992 107 T HN 0.289 nan 8.240 nan 0.000 0.540 108 E N 1.439 121.538 120.200 -0.169 0.000 2.210 108 E HA -0.229 4.118 4.350 -0.005 0.000 0.201 108 E C 0.122 176.717 176.600 -0.008 0.000 1.339 108 E CA 0.307 56.650 56.400 -0.094 0.000 0.699 108 E CB -1.059 28.594 29.700 -0.079 0.000 1.126 108 E HN 0.858 nan 8.360 nan 0.000 0.355 109 R N -0.698 119.778 120.500 -0.040 0.000 2.808 109 R HA 0.686 5.023 4.340 -0.005 0.000 0.272 109 R C -3.060 173.237 176.300 -0.006 0.000 0.995 109 R CA -2.138 53.937 56.100 -0.041 0.000 0.917 109 R CB 1.816 32.052 30.300 -0.107 0.000 1.217 109 R HN -0.174 nan 8.270 nan 0.000 0.471 110 P HA 0.412 nan 4.420 nan 0.000 0.282 110 P C -1.292 176.039 177.300 0.052 0.000 1.249 110 P CA -0.398 62.725 63.100 0.039 0.000 0.806 110 P CB 1.793 33.517 31.700 0.040 0.000 0.984 111 A N 2.489 125.352 122.820 0.072 0.000 2.604 111 A HA 0.683 5.000 4.320 -0.005 0.000 0.295 111 A C -1.451 176.169 177.584 0.061 0.000 1.067 111 A CA -0.691 51.388 52.037 0.069 0.000 0.683 111 A CB 1.076 20.128 19.000 0.088 0.000 1.281 111 A HN 0.445 nan 8.150 nan 0.000 0.407 112 L N 1.826 123.067 121.223 0.031 0.000 2.346 112 L HA 0.762 5.099 4.340 -0.005 0.000 0.274 112 L C -0.580 176.280 176.870 -0.017 0.000 1.007 112 L CA -0.646 54.188 54.840 -0.010 0.000 0.818 112 L CB 1.981 43.972 42.059 -0.112 0.000 1.284 112 L HN 0.756 nan 8.230 nan 0.000 0.424 113 I N 2.703 123.284 120.570 0.019 0.000 2.722 113 I HA 0.591 4.758 4.170 -0.005 0.000 0.295 113 I C -1.686 174.549 176.117 0.198 0.000 1.161 113 I CA -0.503 60.803 61.300 0.010 0.000 1.032 113 I CB 2.066 40.060 38.000 -0.010 0.000 1.244 113 I HN 0.582 nan 8.210 nan 0.000 0.421 114 F N 5.013 125.002 119.950 0.064 0.000 2.619 114 F HA 0.519 5.046 4.527 -0.001 0.000 0.308 114 F C -1.128 174.747 175.800 0.124 0.000 1.097 114 F CA -0.853 57.246 58.000 0.165 0.000 0.953 114 F CB 0.979 39.876 39.000 -0.172 0.000 1.287 114 F HN 0.396 nan 8.300 nan 0.000 0.446 115 H N 2.812 121.867 119.070 -0.025 0.000 2.548 115 H HA 0.161 4.712 4.556 -0.008 0.000 0.331 115 H C 0.455 175.780 175.328 -0.005 0.000 1.093 115 H CA 0.324 56.127 56.048 -0.408 0.000 1.367 115 H CB 2.071 31.199 29.762 -1.057 0.000 1.455 115 H HN 1.062 nan 8.280 nan 0.000 0.519 116 Q N 3.043 122.769 119.800 -0.123 0.000 2.436 116 Q HA -0.053 4.284 4.340 -0.005 0.000 0.209 116 Q C 0.348 176.449 176.000 0.169 0.000 0.965 116 Q CA 0.833 56.691 55.803 0.092 0.000 0.910 116 Q CB 0.360 29.070 28.738 -0.048 0.000 0.980 116 Q HN 0.354 nan 8.270 nan 0.000 0.491 117 K N 0.827 121.429 120.400 0.336 0.000 2.373 117 K HA 0.085 4.402 4.320 -0.005 0.000 0.202 117 K C -0.430 176.218 176.600 0.079 0.000 1.025 117 K CA -0.085 56.307 56.287 0.175 0.000 1.115 117 K CB 0.389 32.971 32.500 0.136 0.000 0.858 117 K HN 0.182 nan 8.250 nan 0.000 0.525 118 D N 2.422 122.892 120.400 0.117 0.000 2.487 118 D HA -0.022 4.615 4.640 -0.005 0.000 0.243 118 D C -1.639 174.696 176.300 0.058 0.000 1.154 118 D CA -1.325 52.728 54.000 0.088 0.000 0.876 118 D CB 1.487 42.412 40.800 0.208 0.000 1.161 118 D HN -0.081 nan 8.370 nan 0.000 0.478 119 P HA -0.110 nan 4.420 nan 0.000 0.216 119 P C 0.991 178.281 177.300 -0.017 0.000 1.150 119 P CA 1.351 64.455 63.100 0.006 0.000 0.837 119 P CB 0.081 31.783 31.700 0.004 0.000 0.786 120 A N -0.631 122.160 122.820 -0.048 0.000 1.978 120 A HA -0.168 4.150 4.320 -0.005 0.000 0.220 120 A C 2.221 179.759 177.584 -0.077 0.000 1.170 120 A CA 1.415 53.357 52.037 -0.158 0.000 0.636 120 A CB -1.559 17.182 19.000 -0.432 0.000 0.810 120 A HN 0.145 nan 8.150 nan 0.000 0.448 121 L N -1.276 119.940 121.223 -0.010 0.000 2.095 121 L HA -0.089 4.249 4.340 -0.005 0.000 0.204 121 L C 3.100 179.932 176.870 -0.064 0.000 1.080 121 L CA 0.858 55.662 54.840 -0.059 0.000 0.759 121 L CB -0.583 41.461 42.059 -0.024 0.000 0.914 121 L HN 0.412 nan 8.230 nan 0.000 0.439 122 A N -0.383 122.421 122.820 -0.026 0.000 1.908 122 A HA -0.223 4.094 4.320 -0.005 0.000 0.218 122 A C 2.270 179.835 177.584 -0.032 0.000 1.181 122 A CA 1.620 53.644 52.037 -0.022 0.000 0.627 122 A CB -0.387 18.610 19.000 -0.005 0.000 0.818 122 A HN 0.302 nan 8.150 nan 0.000 0.445 123 E N -0.082 120.098 120.200 -0.033 0.000 2.106 123 E HA -0.058 4.289 4.350 -0.005 0.000 0.192 123 E C 2.279 178.856 176.600 -0.037 0.000 0.984 123 E CA 1.169 57.552 56.400 -0.029 0.000 0.806 123 E CB -0.404 29.282 29.700 -0.024 0.000 0.750 123 E HN 0.500 nan 8.360 nan 0.000 0.458 124 A N 0.738 123.523 122.820 -0.058 0.000 1.930 124 A HA -0.094 4.224 4.320 -0.005 0.000 0.217 124 A C 2.398 179.935 177.584 -0.078 0.000 1.175 124 A CA 0.849 52.844 52.037 -0.071 0.000 0.627 124 A CB -0.586 18.347 19.000 -0.112 0.000 0.815 124 A HN 0.246 nan 8.150 nan 0.000 0.443 125 L N -1.148 120.026 121.223 -0.080 0.000 2.083 125 L HA -0.152 4.186 4.340 -0.005 0.000 0.209 125 L C 2.873 179.733 176.870 -0.016 0.000 1.083 125 L CA 0.973 55.783 54.840 -0.051 0.000 0.752 125 L CB -0.400 41.644 42.059 -0.025 0.000 0.899 125 L HN 0.318 nan 8.230 nan 0.000 0.433 126 R N -0.171 120.309 120.500 -0.032 0.000 2.090 126 R HA -0.065 4.272 4.340 -0.005 0.000 0.228 126 R C 2.310 178.593 176.300 -0.030 0.000 1.110 126 R CA 1.285 57.361 56.100 -0.039 0.000 0.973 126 R CB -0.454 29.824 30.300 -0.037 0.000 0.869 126 R HN 0.335 nan 8.270 nan 0.000 0.440 127 A N 0.433 123.239 122.820 -0.024 0.000 1.883 127 A HA -0.105 4.212 4.320 -0.005 0.000 0.217 127 A C 2.225 179.800 177.584 -0.015 0.000 1.186 127 A CA 1.868 53.895 52.037 -0.017 0.000 0.624 127 A CB -1.053 17.939 19.000 -0.014 0.000 0.822 127 A HN 0.434 nan 8.150 nan 0.000 0.444 128 G N -1.480 107.309 108.800 -0.019 0.000 2.776 128 G HA2 0.328 4.285 3.960 -0.005 0.000 0.209 128 G HA3 0.328 4.285 3.960 -0.005 0.000 0.209 128 G C 1.125 176.039 174.900 0.024 0.000 1.145 128 G CA 0.615 45.710 45.100 -0.009 0.000 0.791 128 G HN 1.716 nan 8.290 nan 0.000 0.530 129 G N -0.993 107.812 108.800 0.008 0.000 2.314 129 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.292 129 G HA3 -0.307 3.650 3.960 -0.005 0.000 0.292 129 G C -0.065 174.835 174.900 -0.000 0.000 1.059 129 G CA 0.409 45.503 45.100 -0.009 0.000 0.982 129 G HN 0.703 nan 8.290 nan 0.000 0.505 130 Y N 0.374 120.571 120.300 -0.171 0.000 2.511 130 Y HA 0.465 5.012 4.550 -0.005 0.000 0.356 130 Y C -1.564 174.133 175.900 -0.339 0.000 1.002 130 Y CA -1.835 56.127 58.100 -0.231 0.000 1.127 130 Y CB 1.616 40.027 38.460 -0.082 0.000 1.137 130 Y HN 0.138 nan 8.280 nan 0.000 0.652 131 P HA -0.043 nan 4.420 nan 0.000 0.245 131 P C 0.546 177.675 177.300 -0.285 0.000 1.212 131 P CA 1.178 64.079 63.100 -0.331 0.000 0.774 131 P CB 0.148 31.670 31.700 -0.297 0.000 0.999 132 H N 2.025 120.968 119.070 -0.212 0.000 2.319 132 H HA -0.052 4.501 4.556 -0.005 0.000 0.299 132 H C -0.573 174.793 175.328 0.063 0.000 1.092 132 H CA 1.669 57.645 56.048 -0.120 0.000 1.302 132 H CB -2.064 27.531 29.762 -0.279 0.000 1.373 132 H HN 0.331 nan 8.280 nan 0.000 0.497 133 P HA 0.071 nan 4.420 nan 0.000 0.257 133 P C -0.144 177.190 177.300 0.057 0.000 1.281 133 P CA 0.475 63.537 63.100 -0.064 0.000 0.826 133 P CB 0.034 31.483 31.700 -0.418 0.000 1.237 134 I N 0.192 120.788 120.570 0.045 0.000 2.474 134 I HA 0.231 4.398 4.170 -0.005 0.000 0.287 134 I C 1.489 177.637 176.117 0.052 0.000 1.048 134 I CA -0.412 60.908 61.300 0.033 0.000 1.383 134 I CB 0.959 38.962 38.000 0.004 0.000 1.412 134 I HN -0.069 nan 8.210 nan 0.000 0.531 135 G N 3.736 112.564 108.800 0.047 0.000 2.510 135 G HA2 0.142 4.099 3.960 -0.005 0.000 0.280 135 G HA3 0.142 4.099 3.960 -0.005 0.000 0.280 135 G C 0.712 175.631 174.900 0.032 0.000 1.386 135 G CA -0.238 44.890 45.100 0.047 0.000 1.047 135 G HN 0.633 nan 8.290 nan 0.000 0.527 136 E N 0.814 121.031 120.200 0.029 0.000 2.033 136 E HA -0.187 4.160 4.350 -0.005 0.000 0.199 136 E C 2.111 178.721 176.600 0.017 0.000 1.011 136 E CA 1.742 58.154 56.400 0.021 0.000 0.815 136 E CB -0.379 29.333 29.700 0.019 0.000 0.755 136 E HN 0.672 nan 8.360 nan 0.000 0.451 137 D N -0.456 119.955 120.400 0.018 0.000 2.384 137 D HA -0.077 4.560 4.640 -0.005 0.000 0.222 137 D C 1.248 177.555 176.300 0.012 0.000 0.976 137 D CA 1.165 55.173 54.000 0.015 0.000 0.915 137 D CB -0.313 40.496 40.800 0.016 0.000 0.896 137 D HN 0.336 nan 8.370 nan 0.000 0.523 138 G N -0.406 108.402 108.800 0.014 0.000 2.141 138 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.231 138 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.231 138 G C -0.085 174.822 174.900 0.011 0.000 0.984 138 G CA 0.196 45.302 45.100 0.009 0.000 0.660 138 G HN 0.407 nan 8.290 nan 0.000 0.525 139 L N 0.109 121.343 121.223 0.019 0.000 2.341 139 L HA 0.647 4.984 4.340 -0.005 0.000 0.267 139 L C 0.879 177.769 176.870 0.033 0.000 1.009 139 L CA -1.537 53.317 54.840 0.024 0.000 0.819 139 L CB 2.070 44.146 42.059 0.027 0.000 1.323 139 L HN -0.111 nan 8.230 nan 0.000 0.425 140 V N 2.312 122.247 119.914 0.035 0.000 2.557 140 V HA 0.009 4.126 4.120 -0.005 0.000 0.301 140 V C 0.843 176.969 176.094 0.053 0.000 1.026 140 V CA 0.010 62.332 62.300 0.037 0.000 1.137 140 V CB 0.111 31.953 31.823 0.032 0.000 0.917 140 V HN 0.665 nan 8.190 nan 0.000 0.484 141 R N 3.260 123.801 120.500 0.068 0.000 2.758 141 R HA 0.093 4.430 4.340 -0.005 0.000 0.263 141 R C 0.625 176.966 176.300 0.068 0.000 1.010 141 R CA -0.141 56.007 56.100 0.080 0.000 1.114 141 R CB 0.195 30.567 30.300 0.120 0.000 0.985 141 R HN 0.767 nan 8.270 nan 0.000 0.439 142 S N 0.182 115.917 115.700 0.057 0.000 2.589 142 S HA 0.481 4.948 4.470 -0.005 0.000 0.265 142 S C 0.323 174.948 174.600 0.041 0.000 1.342 142 S CA 0.208 58.431 58.200 0.039 0.000 1.005 142 S CB 1.346 64.566 63.200 0.033 0.000 0.909 142 S HN 0.835 nan 8.310 nan 0.000 0.555 143 G N 0.472 109.282 108.800 0.015 0.000 2.453 143 G HA2 -0.023 3.934 3.960 -0.005 0.000 0.665 143 G HA3 -0.023 3.934 3.960 -0.005 0.000 0.665 143 G C 0.033 174.930 174.900 -0.005 0.000 1.411 143 G CA -0.285 44.819 45.100 0.006 0.000 0.889 143 G HN 0.584 nan 8.290 nan 0.000 0.651 144 K N 0.712 121.087 120.400 -0.042 0.000 2.002 144 K HA 0.060 4.377 4.320 -0.005 0.000 0.209 144 K C 2.843 179.440 176.600 -0.006 0.000 1.048 144 K CA 2.155 58.416 56.287 -0.044 0.000 0.930 144 K CB -0.292 32.148 32.500 -0.099 0.000 0.714 144 K HN 1.014 nan 8.250 nan 0.000 0.438 145 A N 1.270 124.090 122.820 0.001 0.000 1.948 145 A HA -0.232 4.085 4.320 -0.005 0.000 0.220 145 A C 1.834 179.468 177.584 0.083 0.000 1.177 145 A CA 2.126 54.191 52.037 0.047 0.000 0.636 145 A CB -0.566 18.489 19.000 0.091 0.000 0.815 145 A HN 0.467 nan 8.150 nan 0.000 0.449 146 E N -0.520 119.733 120.200 0.088 0.000 2.106 146 E HA -0.006 4.341 4.350 -0.005 0.000 0.192 146 E C 2.127 178.764 176.600 0.062 0.000 0.984 146 E CA 1.092 57.522 56.400 0.050 0.000 0.806 146 E CB -0.624 29.114 29.700 0.064 0.000 0.750 146 E HN 0.553 nan 8.360 nan 0.000 0.458 147 G N 0.075 108.923 108.800 0.081 0.000 2.421 147 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.217 147 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.217 147 G C 1.506 176.539 174.900 0.221 0.000 1.143 147 G CA 0.607 45.793 45.100 0.143 0.000 0.784 147 G HN 0.134 nan 8.290 nan 0.000 0.541 148 M N -0.192 119.510 119.600 0.170 0.000 2.175 148 M HA 0.094 4.571 4.480 -0.005 0.000 0.264 148 M C 2.500 178.928 176.300 0.213 0.000 1.063 148 M CA 0.952 56.406 55.300 0.258 0.000 1.119 148 M CB -0.306 32.353 32.600 0.099 0.000 1.377 148 M HN 0.180 nan 8.290 nan 0.000 0.415 149 I N 0.629 121.258 120.570 0.099 0.000 2.127 149 I HA -0.333 3.834 4.170 -0.005 0.000 0.241 149 I C 2.300 178.395 176.117 -0.036 0.000 1.075 149 I CA 1.466 62.767 61.300 0.002 0.000 1.334 149 I CB -0.321 37.630 38.000 -0.082 0.000 1.040 149 I HN 0.245 nan 8.210 nan 0.000 0.405 150 L N 0.137 121.358 121.223 -0.004 0.000 2.079 150 L HA -0.261 4.076 4.340 -0.005 0.000 0.210 150 L C 2.774 179.584 176.870 -0.100 0.000 1.081 150 L CA 1.364 56.134 54.840 -0.117 0.000 0.752 150 L CB -0.809 41.241 42.059 -0.016 0.000 0.896 150 L HN 0.300 nan 8.230 nan 0.000 0.433 151 A N 0.401 123.337 122.820 0.193 0.000 1.858 151 A HA -0.184 4.133 4.320 -0.005 0.000 0.216 151 A C 2.218 179.859 177.584 0.096 0.000 1.190 151 A CA 1.471 53.665 52.037 0.263 0.000 0.617 151 A CB -0.827 18.387 19.000 0.356 0.000 0.827 151 A HN 0.359 nan 8.150 nan 0.000 0.443 152 L N -0.290 120.977 121.223 0.074 0.000 2.137 152 L HA -0.230 4.107 4.340 -0.005 0.000 0.213 152 L C 2.503 179.323 176.870 -0.083 0.000 1.085 152 L CA 1.243 56.089 54.840 0.009 0.000 0.760 152 L CB -0.833 41.249 42.059 0.038 0.000 0.893 152 L HN 0.269 nan 8.230 nan 0.000 0.434 153 V N -0.497 119.309 119.914 -0.180 0.000 2.237 153 V HA -0.286 3.831 4.120 -0.005 0.000 0.245 153 V C 2.267 178.170 176.094 -0.319 0.000 1.046 153 V CA 1.969 64.084 62.300 -0.308 0.000 1.007 153 V CB -0.658 30.879 31.823 -0.476 0.000 0.638 153 V HN 0.183 nan 8.190 nan 0.000 0.445 154 F N 0.842 120.611 119.950 -0.302 0.000 2.154 154 F HA -0.218 4.308 4.527 -0.001 0.000 0.301 154 F C 2.388 178.120 175.800 -0.113 0.000 1.087 154 F CA 1.518 59.361 58.000 -0.262 0.000 1.274 154 F CB -0.977 37.794 39.000 -0.383 0.000 1.009 154 F HN 0.096 nan 8.300 nan 0.000 0.485 155 A N 0.019 122.877 122.820 0.063 0.000 1.858 155 A HA -0.080 4.237 4.320 -0.005 0.000 0.216 155 A C 2.467 180.045 177.584 -0.009 0.000 1.190 155 A CA 1.858 53.907 52.037 0.020 0.000 0.617 155 A CB -1.434 17.552 19.000 -0.024 0.000 0.827 155 A HN 0.302 nan 8.150 nan 0.000 0.443 156 A N -0.413 122.380 122.820 -0.046 0.000 1.917 156 A HA -0.144 4.174 4.320 -0.005 0.000 0.219 156 A C 2.187 179.750 177.584 -0.034 0.000 1.182 156 A CA 1.749 53.751 52.037 -0.058 0.000 0.633 156 A CB -0.661 18.288 19.000 -0.084 0.000 0.819 156 A HN 0.495 nan 8.150 nan 0.000 0.448 157 L N 0.139 121.356 121.223 -0.010 0.000 2.156 157 L HA -0.110 4.227 4.340 -0.005 0.000 0.208 157 L C 2.666 179.592 176.870 0.094 0.000 1.095 157 L CA 1.381 56.251 54.840 0.049 0.000 0.770 157 L CB -0.271 41.870 42.059 0.136 0.000 0.914 157 L HN 0.599 nan 8.230 nan 0.000 0.439 158 S N -0.785 114.990 115.700 0.126 0.000 2.603 158 S HA 0.104 4.571 4.470 -0.005 0.000 0.220 158 S C 1.507 176.130 174.600 0.038 0.000 0.967 158 S CA 0.344 58.617 58.200 0.122 0.000 0.920 158 S CB 0.171 63.462 63.200 0.152 0.000 0.773 158 S HN 0.522 nan 8.310 nan 0.000 0.529 159 G N 1.570 110.370 108.800 0.000 0.000 2.153 159 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.252 159 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.252 159 G C 0.025 174.891 174.900 -0.056 0.000 0.994 159 G CA -0.164 44.915 45.100 -0.035 0.000 0.698 159 G HN 0.491 nan 8.290 nan 0.000 0.521 160 R N -0.323 120.146 120.500 -0.052 0.000 2.410 160 R HA 0.418 4.756 4.340 -0.005 0.000 0.288 160 R C 1.376 177.572 176.300 -0.172 0.000 1.051 160 R CA -0.665 55.389 56.100 -0.078 0.000 1.021 160 R CB 0.689 30.968 30.300 -0.036 0.000 1.032 160 R HN 0.316 nan 8.270 nan 0.000 0.481 161 R N 1.135 121.463 120.500 -0.286 0.000 2.193 161 R HA 0.022 4.359 4.340 -0.005 0.000 0.213 161 R C -0.280 175.460 176.300 -0.934 0.000 1.055 161 R CA 1.114 56.836 56.100 -0.631 0.000 0.995 161 R CB 0.394 30.180 30.300 -0.857 0.000 0.893 161 R HN 0.417 nan 8.270 nan 0.000 0.459 162 Y N -1.337 118.791 120.300 -0.286 0.000 2.457 162 Y HA 0.380 4.927 4.550 -0.005 0.000 0.343 162 Y C -0.656 175.103 175.900 -0.236 0.000 0.994 162 Y CA -1.106 56.742 58.100 -0.420 0.000 1.031 162 Y CB 2.099 40.140 38.460 -0.699 0.000 1.246 162 Y HN -0.391 nan 8.280 nan 0.000 0.449 163 V N 2.025 121.915 119.914 -0.039 0.000 2.604 163 V HA 0.943 5.060 4.120 -0.005 0.000 0.305 163 V C 0.057 176.033 176.094 -0.196 0.000 1.043 163 V CA -0.732 61.480 62.300 -0.147 0.000 0.888 163 V CB 1.768 33.455 31.823 -0.227 0.000 0.995 163 V HN 0.943 nan 8.190 nan 0.000 0.429 164 G N 2.195 110.795 108.800 -0.334 0.000 2.563 164 G HA2 0.792 4.749 3.960 -0.005 0.000 0.302 164 G HA3 0.792 4.749 3.960 -0.005 0.000 0.302 164 G C -1.600 172.995 174.900 -0.508 0.000 1.301 164 G CA -0.534 44.315 45.100 -0.419 0.000 0.965 164 G HN 0.395 nan 8.290 nan 0.000 0.480 165 F N 0.334 120.195 119.950 -0.149 0.000 2.522 165 F HA 0.671 5.195 4.527 -0.006 0.000 0.324 165 F C -0.007 175.859 175.800 0.109 0.000 1.077 165 F CA -1.065 56.911 58.000 -0.040 0.000 0.944 165 F CB 2.511 41.406 39.000 -0.174 0.000 1.175 165 F HN -0.010 nan 8.300 nan 0.000 0.468 166 I N 2.075 122.803 120.570 0.264 0.000 2.534 166 I HA 0.171 4.338 4.170 -0.005 0.000 0.286 166 I C -1.112 175.101 176.117 0.159 0.000 1.094 166 I CA -0.703 60.723 61.300 0.209 0.000 1.055 166 I CB 1.489 39.611 38.000 0.205 0.000 1.225 166 I HN 0.496 nan 8.210 nan 0.000 0.435 167 D N 4.329 124.823 120.400 0.156 0.000 2.424 167 D HA 0.223 4.860 4.640 -0.005 0.000 0.244 167 D C 1.069 177.420 176.300 0.084 0.000 1.134 167 D CA 0.119 54.196 54.000 0.129 0.000 0.881 167 D CB 1.534 42.444 40.800 0.185 0.000 1.191 167 D HN 0.643 nan 8.370 nan 0.000 0.445 168 A N 2.426 125.266 122.820 0.033 0.000 2.235 168 A HA -0.090 4.227 4.320 -0.005 0.000 0.208 168 A C 0.987 178.535 177.584 -0.060 0.000 1.172 168 A CA 0.311 52.335 52.037 -0.021 0.000 0.786 168 A CB -0.128 18.849 19.000 -0.038 0.000 0.804 168 A HN 0.520 nan 8.150 nan 0.000 0.479 169 D N -0.568 119.817 120.400 -0.025 0.000 2.325 169 D HA -0.010 4.627 4.640 -0.005 0.000 0.234 169 D C 0.001 176.130 176.300 -0.285 0.000 1.122 169 D CA -0.354 53.587 54.000 -0.097 0.000 0.850 169 D CB -0.640 40.156 40.800 -0.007 0.000 0.921 169 D HN 0.130 nan 8.370 nan 0.000 0.513 170 N N 0.354 118.862 118.700 -0.320 0.000 2.520 170 N HA -0.030 4.708 4.740 -0.005 0.000 0.273 170 N C -0.076 175.261 175.510 -0.289 0.000 1.155 170 N CA -0.174 52.623 53.050 -0.422 0.000 0.967 170 N CB 0.594 38.947 38.487 -0.223 0.000 1.092 170 N HN 0.043 nan 8.380 nan 0.000 0.457 171 Y N 1.693 121.907 120.300 -0.143 0.000 2.519 171 Y HA 0.162 4.707 4.550 -0.008 0.000 0.287 171 Y C 0.032 175.629 175.900 -0.504 0.000 1.128 171 Y CA 0.528 58.474 58.100 -0.257 0.000 1.282 171 Y CB 0.215 38.541 38.460 -0.223 0.000 1.027 171 Y HN 0.382 nan 8.280 nan 0.000 0.551 172 F N 0.049 119.994 119.950 -0.009 0.000 2.445 172 F HA 0.344 4.872 4.527 0.002 0.000 0.348 172 F C -1.756 174.001 175.800 -0.072 0.000 1.125 172 F CA -2.653 55.319 58.000 -0.047 0.000 0.983 172 F CB 1.542 40.493 39.000 -0.081 0.000 1.198 172 F HN -0.193 nan 8.300 nan 0.000 0.436 173 P HA -0.155 nan 4.420 nan 0.000 0.215 173 P C 1.845 179.189 177.300 0.073 0.000 1.157 173 P CA 1.678 64.800 63.100 0.037 0.000 0.874 173 P CB 0.191 31.896 31.700 0.010 0.000 0.790 174 G N -0.099 108.748 108.800 0.079 0.000 2.475 174 G HA2 -0.286 3.671 3.960 -0.005 0.000 0.220 174 G HA3 -0.286 3.671 3.960 -0.005 0.000 0.220 174 G C 1.631 176.540 174.900 0.015 0.000 1.125 174 G CA 1.024 46.160 45.100 0.061 0.000 0.755 174 G HN 0.355 nan 8.290 nan 0.000 0.565 175 A N 0.170 122.938 122.820 -0.086 0.000 1.898 175 A HA 0.099 4.416 4.320 -0.005 0.000 0.216 175 A C 2.608 179.728 177.584 -0.773 0.000 1.181 175 A CA 1.749 53.533 52.037 -0.421 0.000 0.620 175 A CB -0.630 18.157 19.000 -0.354 0.000 0.819 175 A HN 0.272 nan 8.150 nan 0.000 0.442 176 V N -1.999 117.721 119.914 -0.324 0.000 2.324 176 V HA -0.302 3.815 4.120 -0.005 0.000 0.250 176 V C 2.208 178.273 176.094 -0.047 0.000 1.060 176 V CA 2.104 64.356 62.300 -0.080 0.000 1.042 176 V CB -1.044 30.820 31.823 0.069 0.000 0.650 176 V HN 0.860 nan 8.190 nan 0.000 0.450 177 W N 0.915 122.117 121.300 -0.163 0.000 2.381 177 W HA -0.154 4.502 4.660 -0.006 0.000 0.301 177 W C 2.555 178.988 176.519 -0.143 0.000 1.205 177 W CA 1.857 59.140 57.345 -0.104 0.000 1.285 177 W CB -0.028 29.392 29.460 -0.067 0.000 1.133 177 W HN 0.338 nan 8.180 nan 0.000 0.521 178 E N -0.896 119.313 120.200 0.014 0.000 2.077 178 E HA -0.283 4.064 4.350 -0.005 0.000 0.193 178 E C 2.057 178.487 176.600 -0.283 0.000 0.989 178 E CA 1.710 58.020 56.400 -0.150 0.000 0.800 178 E CB -0.653 29.011 29.700 -0.061 0.000 0.746 178 E HN 0.319 nan 8.360 nan 0.000 0.452 179 Y N 0.434 120.580 120.300 -0.257 0.000 2.097 179 Y HA -0.222 4.324 4.550 -0.006 0.000 0.282 179 Y C 2.495 177.867 175.900 -0.881 0.000 1.152 179 Y CA 0.914 58.711 58.100 -0.506 0.000 1.136 179 Y CB -1.126 37.090 38.460 -0.405 0.000 0.975 179 Y HN -0.042 nan 8.280 nan 0.000 0.498 180 V N 0.408 120.042 119.914 -0.466 0.000 2.343 180 V HA -0.265 3.853 4.120 -0.005 0.000 0.247 180 V C 2.506 178.353 176.094 -0.413 0.000 1.051 180 V CA 1.803 63.853 62.300 -0.417 0.000 1.036 180 V CB -0.454 31.254 31.823 -0.191 0.000 0.654 180 V HN 0.335 nan 8.190 nan 0.000 0.451 181 R N 0.354 120.502 120.500 -0.586 0.000 2.081 181 R HA -0.086 4.251 4.340 -0.005 0.000 0.235 181 R C 2.432 178.528 176.300 -0.340 0.000 1.131 181 R CA 1.580 57.354 56.100 -0.544 0.000 0.960 181 R CB -1.192 28.587 30.300 -0.867 0.000 0.856 181 R HN 0.530 nan 8.270 nan 0.000 0.436 182 A N 0.892 123.520 122.820 -0.320 0.000 1.940 182 A HA -0.204 4.113 4.320 -0.005 0.000 0.219 182 A C 1.924 179.402 177.584 -0.177 0.000 1.176 182 A CA 1.338 53.248 52.037 -0.211 0.000 0.631 182 A CB -0.710 18.209 19.000 -0.136 0.000 0.814 182 A HN 0.252 nan 8.150 nan 0.000 0.446 183 Y N -0.193 119.975 120.300 -0.219 0.000 2.128 183 Y HA -0.141 4.405 4.550 -0.005 0.000 0.284 183 Y C 2.979 178.568 175.900 -0.519 0.000 1.154 183 Y CA 0.406 58.283 58.100 -0.371 0.000 1.149 183 Y CB -1.351 37.028 38.460 -0.136 0.000 0.976 183 Y HN 0.332 nan 8.280 nan 0.000 0.505 184 A N 0.027 122.798 122.820 -0.082 0.000 1.930 184 A HA -0.053 4.264 4.320 -0.005 0.000 0.217 184 A C 2.536 180.002 177.584 -0.196 0.000 1.175 184 A CA 1.723 53.714 52.037 -0.077 0.000 0.627 184 A CB -1.172 17.787 19.000 -0.068 0.000 0.815 184 A HN 0.388 nan 8.150 nan 0.000 0.443 185 A N -0.217 122.465 122.820 -0.231 0.000 1.892 185 A HA 0.026 4.343 4.320 -0.005 0.000 0.218 185 A C 2.450 179.790 177.584 -0.407 0.000 1.188 185 A CA 2.199 54.087 52.037 -0.248 0.000 0.631 185 A CB -1.538 17.341 19.000 -0.202 0.000 0.822 185 A HN 0.757 nan 8.150 nan 0.000 0.447 186 G N -0.898 107.546 108.800 -0.593 0.000 2.480 186 G HA2 -0.199 3.759 3.960 -0.005 0.000 0.216 186 G HA3 -0.199 3.759 3.960 -0.005 0.000 0.216 186 G C 1.300 175.695 174.900 -0.841 0.000 1.200 186 G CA 1.228 45.697 45.100 -1.052 0.000 0.782 186 G HN 0.413 nan 8.290 nan 0.000 0.554 187 F N 0.872 120.587 119.950 -0.392 0.000 2.154 187 F HA -0.012 4.512 4.527 -0.006 0.000 0.301 187 F C 2.621 178.279 175.800 -0.237 0.000 1.087 187 F CA 0.575 58.385 58.000 -0.317 0.000 1.274 187 F CB -0.788 37.849 39.000 -0.605 0.000 1.009 187 F HN 0.044 nan 8.300 nan 0.000 0.485 188 L N -1.044 120.119 121.223 -0.101 0.000 2.027 188 L HA -0.218 4.119 4.340 -0.005 0.000 0.206 188 L C 2.504 179.340 176.870 -0.057 0.000 1.074 188 L CA 1.242 56.044 54.840 -0.063 0.000 0.745 188 L CB -0.585 41.430 42.059 -0.073 0.000 0.898 188 L HN 0.129 nan 8.230 nan 0.000 0.433 189 M N -0.149 119.355 119.600 -0.159 0.000 2.159 189 M HA -0.085 4.392 4.480 -0.005 0.000 0.263 189 M C 1.258 177.636 176.300 0.130 0.000 1.063 189 M CA 0.806 56.064 55.300 -0.070 0.000 1.110 189 M CB -0.487 32.003 32.600 -0.183 0.000 1.374 189 M HN 0.242 nan 8.290 nan 0.000 0.411 190 A N 1.185 124.082 122.820 0.128 0.000 2.555 190 A HA -0.028 4.289 4.320 -0.005 0.000 0.233 190 A C 0.618 178.349 177.584 0.245 0.000 1.060 190 A CA 0.473 52.741 52.037 0.385 0.000 0.759 190 A CB 0.072 19.312 19.000 0.399 0.000 0.995 190 A HN 0.457 nan 8.150 nan 0.000 0.506 191 K N 0.164 120.713 120.400 0.250 0.000 2.514 191 K HA 0.189 4.506 4.320 -0.005 0.000 0.207 191 K C -0.061 176.642 176.600 0.172 0.000 1.035 191 K CA 0.367 56.760 56.287 0.177 0.000 1.113 191 K CB 0.667 33.261 32.500 0.156 0.000 0.846 191 K HN 0.688 nan 8.250 nan 0.000 0.491 192 T N -0.218 114.444 114.554 0.181 0.000 2.952 192 T HA 0.236 4.583 4.350 -0.005 0.000 0.305 192 T C -2.230 172.469 174.700 -0.001 0.000 1.064 192 T CA -2.124 60.059 62.100 0.139 0.000 1.008 192 T CB 1.308 70.317 68.868 0.235 0.000 1.078 192 T HN -0.203 nan 8.240 nan 0.000 0.459 193 P HA -0.034 nan 4.420 nan 0.000 0.218 193 P C 0.024 177.047 177.300 -0.462 0.000 1.146 193 P CA 1.119 63.902 63.100 -0.529 0.000 0.820 193 P CB -0.158 30.919 31.700 -1.038 0.000 0.778 194 F N 0.437 120.429 119.950 0.069 0.000 2.303 194 F HA 0.579 5.103 4.527 -0.005 0.000 0.368 194 F C 0.745 176.667 175.800 0.203 0.000 1.105 194 F CA -1.014 57.048 58.000 0.103 0.000 1.153 194 F CB 0.337 39.358 39.000 0.035 0.000 1.362 194 F HN -0.108 nan 8.300 nan 0.000 0.511 195 A N 4.638 127.718 122.820 0.433 0.000 2.498 195 A HA 0.912 5.229 4.320 -0.005 0.000 0.298 195 A C -1.167 176.743 177.584 0.544 0.000 1.075 195 A CA -0.757 51.581 52.037 0.503 0.000 0.714 195 A CB 2.207 21.555 19.000 0.579 0.000 1.299 195 A HN 0.734 nan 8.150 nan 0.000 0.407 196 M N 1.912 121.789 119.600 0.463 0.000 2.501 196 M HA 0.715 5.192 4.480 -0.005 0.000 0.293 196 M C -2.171 174.302 176.300 0.288 0.000 1.192 196 M CA -0.587 54.934 55.300 0.368 0.000 0.886 196 M CB 2.197 34.979 32.600 0.302 0.000 1.710 196 M HN 0.462 nan 8.290 nan 0.000 0.457 197 V N 3.874 123.874 119.914 0.143 0.000 2.577 197 V HA 0.616 4.733 4.120 -0.005 0.000 0.303 197 V C -0.957 175.248 176.094 0.185 0.000 1.042 197 V CA -0.637 61.723 62.300 0.101 0.000 0.872 197 V CB 2.019 33.750 31.823 -0.153 0.000 0.998 197 V HN 0.882 nan 8.190 nan 0.000 0.423 198 R N 4.742 125.369 120.500 0.212 0.000 2.476 198 R HA 0.632 4.969 4.340 -0.005 0.000 0.305 198 R C -1.118 175.303 176.300 0.201 0.000 0.965 198 R CA -0.703 55.520 56.100 0.205 0.000 0.867 198 R CB 1.982 32.361 30.300 0.131 0.000 1.176 198 R HN 0.501 nan 8.270 nan 0.000 0.447 199 I N 5.425 126.127 120.570 0.221 0.000 2.428 199 I HA 0.307 4.474 4.170 -0.005 0.000 0.289 199 I C 0.180 176.401 176.117 0.174 0.000 1.019 199 I CA -0.547 60.869 61.300 0.193 0.000 1.351 199 I CB 0.865 38.958 38.000 0.154 0.000 1.412 199 I HN 0.564 nan 8.210 nan 0.000 0.513 200 L N 3.580 124.916 121.223 0.188 0.000 2.370 200 L HA 0.726 5.063 4.340 -0.005 0.000 0.266 200 L C -1.481 175.563 176.870 0.291 0.000 1.002 200 L CA -0.717 54.244 54.840 0.201 0.000 0.818 200 L CB 2.415 44.551 42.059 0.129 0.000 1.325 200 L HN 0.618 nan 8.230 nan 0.000 0.418 201 W N 3.452 124.837 121.300 0.141 0.000 2.411 201 W HA 0.668 5.327 4.660 -0.002 0.000 0.317 201 W C -0.658 175.932 176.519 0.117 0.000 1.030 201 W CA -0.518 56.908 57.345 0.136 0.000 1.239 201 W CB 1.377 30.932 29.460 0.160 0.000 1.304 201 W HN 0.605 nan 8.180 nan 0.000 0.437 217 R N -0.449 120.111 120.500 0.101 0.000 2.140 217 R HA 0.071 4.408 4.340 -0.005 0.000 0.213 217 R C 1.769 178.123 176.300 0.090 0.000 1.059 217 R CA 1.135 57.279 56.100 0.073 0.000 1.000 217 R CB -0.151 30.186 30.300 0.062 0.000 0.910 217 R HN 0.197 nan 8.270 nan 0.000 0.455 218 Y N 0.461 120.769 120.300 0.015 0.000 2.207 218 Y HA -0.119 4.429 4.550 -0.003 0.000 0.287 218 Y C 1.911 177.817 175.900 0.009 0.000 1.156 218 Y CA 1.684 59.794 58.100 0.016 0.000 1.182 218 Y CB -0.644 37.840 38.460 0.039 0.000 0.979 218 Y HN 0.110 nan 8.280 nan 0.000 0.521 219 G N 0.508 109.332 108.800 0.040 0.000 2.586 219 G HA2 -0.360 3.597 3.960 -0.005 0.000 0.218 219 G HA3 -0.360 3.597 3.960 -0.005 0.000 0.218 219 G C 1.687 176.513 174.900 -0.123 0.000 1.216 219 G CA 1.458 46.529 45.100 -0.049 0.000 0.786 219 G HN 0.449 nan 8.290 nan 0.000 0.583 220 R N -0.131 120.322 120.500 -0.078 0.000 2.091 220 R HA -0.043 4.294 4.340 -0.005 0.000 0.238 220 R C 2.606 178.834 176.300 -0.120 0.000 1.136 220 R CA 1.297 57.350 56.100 -0.080 0.000 0.959 220 R CB -0.831 29.440 30.300 -0.048 0.000 0.856 220 R HN 0.316 nan 8.270 nan 0.000 0.437 221 V N 1.267 121.084 119.914 -0.161 0.000 2.343 221 V HA -0.268 3.850 4.120 -0.005 0.000 0.247 221 V C 2.451 178.405 176.094 -0.232 0.000 1.051 221 V CA 2.234 64.426 62.300 -0.181 0.000 1.036 221 V CB -0.546 31.173 31.823 -0.173 0.000 0.654 221 V HN 0.484 nan 8.190 nan 0.000 0.451 222 S N -0.312 115.167 115.700 -0.370 0.000 2.371 222 S HA -0.205 4.262 4.470 -0.005 0.000 0.224 222 S C 1.830 176.324 174.600 -0.176 0.000 1.029 222 S CA 1.325 59.335 58.200 -0.316 0.000 0.978 222 S CB -0.493 62.440 63.200 -0.445 0.000 0.833 222 S HN 0.652 nan 8.310 nan 0.000 0.466 223 E N 1.089 121.197 120.200 -0.155 0.000 2.086 223 E HA -0.218 4.129 4.350 -0.005 0.000 0.200 223 E C 2.320 178.872 176.600 -0.080 0.000 1.012 223 E CA 1.444 57.786 56.400 -0.097 0.000 0.812 223 E CB -0.134 29.517 29.700 -0.081 0.000 0.743 223 E HN 0.341 nan 8.360 nan 0.000 0.453 224 R N 0.940 121.389 120.500 -0.085 0.000 2.148 224 R HA -0.045 4.292 4.340 -0.005 0.000 0.223 224 R C 1.562 177.826 176.300 -0.061 0.000 1.088 224 R CA 1.188 57.249 56.100 -0.066 0.000 0.985 224 R CB -0.157 30.106 30.300 -0.062 0.000 0.880 224 R HN 0.102 nan 8.270 nan 0.000 0.451 225 N N 0.621 119.276 118.700 -0.075 0.000 2.135 225 N HA -0.093 4.645 4.740 -0.005 0.000 0.186 225 N C 1.084 176.566 175.510 -0.045 0.000 1.027 225 N CA 1.392 54.407 53.050 -0.057 0.000 0.849 225 N CB -0.419 38.029 38.487 -0.064 0.000 1.002 225 N HN 0.269 nan 8.380 nan 0.000 0.425 226 N N 1.117 119.786 118.700 -0.053 0.000 2.069 226 N HA -0.171 4.567 4.740 -0.005 0.000 0.191 226 N C 1.783 177.270 175.510 -0.039 0.000 1.031 226 N CA 0.724 53.749 53.050 -0.042 0.000 0.852 226 N CB -0.393 38.069 38.487 -0.042 0.000 1.018 226 N HN 0.280 nan 8.380 nan 0.000 0.423 227 R N 0.973 121.449 120.500 -0.041 0.000 2.133 227 R HA -0.134 4.203 4.340 -0.005 0.000 0.247 227 R C 2.097 178.375 176.300 -0.036 0.000 1.151 227 R CA 1.645 57.723 56.100 -0.037 0.000 0.971 227 R CB -0.248 30.030 30.300 -0.037 0.000 0.866 227 R HN 0.271 nan 8.270 nan 0.000 0.447 228 A N 0.251 123.051 122.820 -0.033 0.000 1.873 228 A HA -0.113 4.204 4.320 -0.005 0.000 0.215 228 A C 2.100 179.666 177.584 -0.030 0.000 1.186 228 A CA 1.231 53.252 52.037 -0.026 0.000 0.616 228 A CB -0.464 18.526 19.000 -0.017 0.000 0.823 228 A HN 0.321 nan 8.150 nan 0.000 0.442 229 L N -0.170 121.033 121.223 -0.033 0.000 2.083 229 L HA -0.186 4.151 4.340 -0.005 0.000 0.209 229 L C 2.235 179.064 176.870 -0.068 0.000 1.083 229 L CA 1.672 56.487 54.840 -0.041 0.000 0.752 229 L CB -0.537 41.502 42.059 -0.034 0.000 0.899 229 L HN 0.468 nan 8.230 nan 0.000 0.433 230 N N -1.139 117.524 118.700 -0.061 0.000 2.188 230 N HA -0.183 4.554 4.740 -0.005 0.000 0.184 230 N C 1.805 177.266 175.510 -0.081 0.000 1.018 230 N CA 0.665 53.672 53.050 -0.072 0.000 0.858 230 N CB -0.000 38.459 38.487 -0.047 0.000 0.989 230 N HN 0.437 nan 8.380 nan 0.000 0.426 231 Q N 0.476 120.237 119.800 -0.066 0.000 2.119 231 Q HA -0.124 4.213 4.340 -0.005 0.000 0.201 231 Q C 2.095 178.045 176.000 -0.084 0.000 0.972 231 Q CA 0.824 56.587 55.803 -0.067 0.000 0.847 231 Q CB -0.082 28.627 28.738 -0.049 0.000 0.903 231 Q HN 0.311 nan 8.270 nan 0.000 0.433 232 L N 0.708 121.881 121.223 -0.082 0.000 2.042 232 L HA -0.185 4.152 4.340 -0.005 0.000 0.210 232 L C 1.966 178.745 176.870 -0.153 0.000 1.076 232 L CA 1.623 56.410 54.840 -0.089 0.000 0.749 232 L CB -0.241 41.782 42.059 -0.060 0.000 0.893 232 L HN 0.162 nan 8.230 nan 0.000 0.432 233 I N -0.847 119.592 120.570 -0.218 0.000 2.193 233 I HA -0.165 4.002 4.170 -0.005 0.000 0.240 233 I C 2.460 178.378 176.117 -0.332 0.000 1.084 233 I CA 1.291 62.340 61.300 -0.419 0.000 1.365 233 I CB -1.024 36.718 38.000 -0.430 0.000 1.064 233 I HN 0.373 nan 8.210 nan 0.000 0.410 234 G N 0.340 109.022 108.800 -0.196 0.000 2.462 234 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.220 234 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.220 234 G C 1.727 176.550 174.900 -0.128 0.000 1.121 234 G CA 0.810 45.832 45.100 -0.130 0.000 0.758 234 G HN 0.516 nan 8.290 nan 0.000 0.559 235 G N 0.241 108.967 108.800 -0.123 0.000 2.450 235 G HA2 -0.125 3.832 3.960 -0.005 0.000 0.220 235 G HA3 -0.125 3.832 3.960 -0.005 0.000 0.220 235 G C 1.663 176.509 174.900 -0.090 0.000 1.130 235 G CA 1.348 46.387 45.100 -0.102 0.000 0.760 235 G HN 0.363 nan 8.290 nan 0.000 0.557 236 V N 1.330 121.198 119.914 -0.077 0.000 2.426 236 V HA -0.085 4.032 4.120 -0.005 0.000 0.242 236 V C 3.110 179.210 176.094 0.011 0.000 1.036 236 V CA 1.980 64.280 62.300 0.001 0.000 1.044 236 V CB -0.151 31.767 31.823 0.159 0.000 0.688 236 V HN 0.554 nan 8.190 nan 0.000 0.462 237 S N 0.672 116.368 115.700 -0.007 0.000 2.428 237 S HA 0.072 4.540 4.470 -0.005 0.000 0.230 237 S C 1.825 176.381 174.600 -0.074 0.000 1.014 237 S CA 1.028 59.263 58.200 0.058 0.000 0.957 237 S CB -0.152 63.105 63.200 0.095 0.000 0.784 237 S HN 1.288 nan 8.310 nan 0.000 0.499 238 G N 0.270 108.937 108.800 -0.222 0.000 2.148 238 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.254 238 G HA3 -0.225 3.732 3.960 -0.005 0.000 0.254 238 G C -0.168 174.179 174.900 -0.920 0.000 0.981 238 G CA 0.425 45.215 45.100 -0.517 0.000 0.670 238 G HN 0.550 nan 8.290 nan 0.000 0.528 239 F N 0.641 120.565 119.950 -0.042 0.000 2.569 239 F HA 0.503 5.027 4.527 -0.005 0.000 0.312 239 F C 0.342 176.108 175.800 -0.056 0.000 1.109 239 F CA -1.440 56.534 58.000 -0.043 0.000 0.919 239 F CB 1.220 40.198 39.000 -0.036 0.000 1.211 239 F HN 0.026 nan 8.300 nan 0.000 0.446 240 E N 0.507 120.775 120.200 0.114 0.000 2.404 240 E HA 0.315 4.662 4.350 -0.005 0.000 0.261 240 E C -0.349 176.270 176.600 0.032 0.000 1.074 240 E CA -0.123 56.297 56.400 0.033 0.000 0.917 240 E CB 1.553 31.263 29.700 0.017 0.000 0.965 240 E HN 0.549 nan 8.360 nan 0.000 0.433 241 T N -0.333 114.222 114.554 0.002 0.000 2.896 241 T HA 0.156 4.503 4.350 -0.005 0.000 0.297 241 T C -0.253 174.458 174.700 0.019 0.000 1.108 241 T CA -0.686 61.424 62.100 0.016 0.000 1.004 241 T CB 1.278 70.154 68.868 0.012 0.000 1.159 241 T HN 0.528 nan 8.240 nan 0.000 0.499 242 D N 2.478 122.915 120.400 0.062 0.000 2.369 242 D HA 0.037 4.675 4.640 -0.005 0.000 0.211 242 D C 1.748 178.085 176.300 0.062 0.000 1.077 242 D CA 0.126 54.162 54.000 0.059 0.000 0.842 242 D CB -0.162 40.680 40.800 0.071 0.000 0.947 242 D HN 0.269 nan 8.370 nan 0.000 0.509 243 V N 0.431 120.386 119.914 0.068 0.000 2.407 243 V HA -0.076 4.041 4.120 -0.005 0.000 0.248 243 V C 0.860 176.939 176.094 -0.026 0.000 1.055 243 V CA 0.920 63.221 62.300 0.003 0.000 1.049 243 V CB 0.059 31.860 31.823 -0.036 0.000 0.662 243 V HN 0.086 nan 8.190 nan 0.000 0.455 244 V N 2.346 122.245 119.914 -0.025 0.000 2.508 244 V HA 0.183 4.300 4.120 -0.005 0.000 0.281 244 V C 0.834 176.918 176.094 -0.016 0.000 1.041 244 V CA 0.281 62.567 62.300 -0.023 0.000 1.016 244 V CB 1.014 32.819 31.823 -0.029 0.000 0.984 244 V HN 0.462 nan 8.190 nan 0.000 0.478 245 K N 2.137 122.533 120.400 -0.007 0.000 2.517 245 K HA 0.129 4.446 4.320 -0.005 0.000 0.210 245 K C 0.836 177.442 176.600 0.009 0.000 1.166 245 K CA 0.299 56.583 56.287 -0.004 0.000 1.030 245 K CB 1.135 33.636 32.500 0.001 0.000 0.974 245 K HN 0.771 nan 8.250 nan 0.000 0.585 246 T N -2.057 112.506 114.554 0.016 0.000 3.313 246 T HA 0.429 4.776 4.350 -0.005 0.000 0.263 246 T C 1.415 176.121 174.700 0.009 0.000 0.983 246 T CA 0.087 62.205 62.100 0.030 0.000 0.963 246 T CB 0.709 69.607 68.868 0.050 0.000 1.141 246 T HN 0.022 nan 8.240 nan 0.000 0.526 247 A N 2.479 125.297 122.820 -0.003 0.000 1.917 247 A HA -0.036 4.281 4.320 -0.005 0.000 0.219 247 A C 1.176 178.759 177.584 -0.003 0.000 1.182 247 A CA 0.854 52.885 52.037 -0.011 0.000 0.633 247 A CB -0.372 18.616 19.000 -0.020 0.000 0.819 247 A HN 0.697 nan 8.150 nan 0.000 0.448 248 N N -0.830 117.882 118.700 0.020 0.000 2.456 248 N HA 0.546 5.283 4.740 -0.005 0.000 0.296 248 N C -0.821 174.725 175.510 0.061 0.000 1.102 248 N CA 0.511 53.593 53.050 0.053 0.000 0.924 248 N CB 1.766 40.323 38.487 0.117 0.000 1.186 248 N HN 0.339 nan 8.380 nan 0.000 0.492 249 A N 0.350 123.197 122.820 0.045 0.000 2.770 249 A HA 0.446 4.763 4.320 -0.005 0.000 0.295 249 A C 0.943 178.608 177.584 0.135 0.000 1.256 249 A CA -0.506 51.577 52.037 0.077 0.000 0.870 249 A CB -0.207 18.822 19.000 0.047 0.000 1.451 249 A HN 0.715 nan 8.150 nan 0.000 0.505 250 G N 0.540 109.414 108.800 0.123 0.000 2.513 250 G HA2 -0.122 3.835 3.960 -0.005 0.000 0.219 250 G HA3 -0.122 3.835 3.960 -0.005 0.000 0.219 250 G C 0.473 175.496 174.900 0.204 0.000 1.160 250 G CA 1.080 46.257 45.100 0.127 0.000 0.767 250 G HN 0.619 nan 8.290 nan 0.000 0.571 251 E N 1.468 121.752 120.200 0.140 0.000 1.893 251 E HA 0.317 4.665 4.350 -0.005 0.000 0.269 251 E C -0.088 176.716 176.600 0.340 0.000 1.129 251 E CA -0.203 56.281 56.400 0.140 0.000 0.904 251 E CB 0.107 29.632 29.700 -0.291 0.000 1.077 251 E HN 0.726 nan 8.360 nan 0.000 0.407 252 H N 0.288 119.472 119.070 0.190 0.000 3.012 252 H HA 0.824 5.377 4.556 -0.004 0.000 0.367 252 H C -1.370 173.869 175.328 -0.148 0.000 1.211 252 H CA -1.373 54.711 56.048 0.061 0.000 1.139 252 H CB 1.061 30.860 29.762 0.063 0.000 1.838 252 H HN 0.281 nan 8.280 nan 0.000 0.550 253 A N 2.913 125.497 122.820 -0.393 0.000 2.386 253 A HA 0.800 5.117 4.320 -0.005 0.000 0.308 253 A C -0.429 177.283 177.584 0.213 0.000 1.128 253 A CA -0.853 50.983 52.037 -0.335 0.000 0.789 253 A CB 1.703 20.196 19.000 -0.845 0.000 1.325 253 A HN 0.855 nan 8.150 nan 0.000 0.437 254 M N -0.035 119.804 119.600 0.399 0.000 2.465 254 M HA 0.531 5.008 4.480 -0.005 0.000 0.284 254 M C -0.212 176.281 176.300 0.323 0.000 1.212 254 M CA -0.536 55.064 55.300 0.500 0.000 0.910 254 M CB 1.765 34.596 32.600 0.385 0.000 1.725 254 M HN 0.860 nan 8.290 nan 0.000 0.477 255 S N 1.142 117.019 115.700 0.294 0.000 2.558 255 S HA 0.132 4.599 4.470 -0.005 0.000 0.288 255 S C 0.635 175.232 174.600 -0.005 0.000 1.318 255 S CA -0.518 57.671 58.200 -0.018 0.000 1.056 255 S CB 0.927 64.124 63.200 -0.004 0.000 0.853 255 S HN 0.844 nan 8.310 nan 0.000 0.505 256 L N 4.144 125.276 121.223 -0.151 0.000 2.093 256 L HA 0.185 4.522 4.340 -0.005 0.000 0.208 256 L C 2.436 179.310 176.870 0.007 0.000 1.085 256 L CA 2.207 57.007 54.840 -0.068 0.000 0.755 256 L CB -1.287 40.691 42.059 -0.135 0.000 0.904 256 L HN 0.977 nan 8.230 nan 0.000 0.435 257 G N -0.186 108.613 108.800 -0.002 0.000 2.485 257 G HA2 -0.312 3.645 3.960 -0.005 0.000 0.221 257 G HA3 -0.312 3.645 3.960 -0.005 0.000 0.221 257 G C 1.506 176.582 174.900 0.294 0.000 1.115 257 G CA 1.177 46.364 45.100 0.145 0.000 0.751 257 G HN 0.422 nan 8.290 nan 0.000 0.567 258 L N 0.382 121.786 121.223 0.302 0.000 2.307 258 L HA 0.509 4.846 4.340 -0.005 0.000 0.211 258 L C 2.791 179.784 176.870 0.205 0.000 1.099 258 L CA 1.605 56.618 54.840 0.289 0.000 0.816 258 L CB -0.375 41.891 42.059 0.345 0.000 0.952 258 L HN 0.146 nan 8.230 nan 0.000 0.455 259 A N -0.440 122.486 122.820 0.175 0.000 1.930 259 A HA -0.007 4.310 4.320 -0.005 0.000 0.215 259 A C 2.107 179.760 177.584 0.114 0.000 1.176 259 A CA 1.366 53.498 52.037 0.159 0.000 0.632 259 A CB -0.702 18.398 19.000 0.167 0.000 0.819 259 A HN 0.444 nan 8.150 nan 0.000 0.445 260 L N -1.081 120.194 121.223 0.086 0.000 2.362 260 L HA -0.062 4.275 4.340 -0.005 0.000 0.219 260 L C 2.618 179.532 176.870 0.074 0.000 1.134 260 L CA 0.749 55.621 54.840 0.054 0.000 0.807 260 L CB -0.311 41.764 42.059 0.027 0.000 0.927 260 L HN 0.319 nan 8.230 nan 0.000 0.447 261 R N -0.792 119.768 120.500 0.100 0.000 2.161 261 R HA 0.065 4.402 4.340 -0.005 0.000 0.213 261 R C 0.011 176.373 176.300 0.103 0.000 1.055 261 R CA 0.076 56.239 56.100 0.105 0.000 0.996 261 R CB 0.168 30.535 30.300 0.112 0.000 0.901 261 R HN 0.073 nan 8.270 nan 0.000 0.456 262 L N 2.675 123.964 121.223 0.109 0.000 2.349 262 L HA 0.232 4.569 4.340 -0.005 0.000 0.275 262 L C -2.034 174.885 176.870 0.083 0.000 1.115 262 L CA -2.424 52.467 54.840 0.086 0.000 0.820 262 L CB 0.676 42.799 42.059 0.108 0.000 1.135 262 L HN -0.090 nan 8.230 nan 0.000 0.445 263 P HA 0.211 nan 4.420 nan 0.000 0.272 263 P C -1.022 176.334 177.300 0.093 0.000 1.223 263 P CA -0.220 62.927 63.100 0.079 0.000 0.784 263 P CB 0.824 32.543 31.700 0.032 0.000 0.923 264 L N 0.991 122.298 121.223 0.140 0.000 2.362 264 L HA 0.690 5.027 4.340 -0.005 0.000 0.271 264 L C 0.373 177.318 176.870 0.125 0.000 1.002 264 L CA -1.020 53.904 54.840 0.139 0.000 0.818 264 L CB 2.023 44.187 42.059 0.175 0.000 1.298 264 L HN 0.353 nan 8.230 nan 0.000 0.420 265 A N 1.009 123.867 122.820 0.064 0.000 2.269 265 A HA 0.545 4.862 4.320 -0.005 0.000 0.319 265 A C 0.784 178.384 177.584 0.026 0.000 1.110 265 A CA -0.015 52.026 52.037 0.007 0.000 0.847 265 A CB 1.607 20.607 19.000 -0.001 0.000 1.161 265 A HN 0.731 nan 8.150 nan 0.000 0.497 266 S N 0.724 116.409 115.700 -0.025 0.000 2.387 266 S HA 0.161 4.628 4.470 -0.005 0.000 0.221 266 S C 1.329 175.934 174.600 0.008 0.000 1.041 266 S CA 1.400 59.606 58.200 0.010 0.000 0.959 266 S CB -0.613 62.561 63.200 -0.044 0.000 0.843 266 S HN 1.134 nan 8.310 nan 0.000 0.488 267 G N -0.371 108.435 108.800 0.012 0.000 2.873 267 G HA2 0.192 4.149 3.960 -0.005 0.000 0.170 267 G HA3 0.192 4.149 3.960 -0.005 0.000 0.170 267 G C 0.324 175.213 174.900 -0.017 0.000 1.608 267 G CA -0.013 45.106 45.100 0.031 0.000 1.084 267 G HN 0.461 nan 8.290 nan 0.000 0.563 268 Y N 1.040 121.340 120.300 -0.000 0.000 2.639 268 Y HA 0.095 4.642 4.550 -0.005 0.000 0.297 268 Y C 2.911 178.811 175.900 -0.000 0.000 1.151 268 Y CA 0.595 58.696 58.100 0.002 0.000 1.335 268 Y CB -0.047 38.422 38.460 0.015 0.000 0.994 268 Y HN 0.309 nan 8.280 nan 0.000 0.548 269 A N -0.426 122.472 122.820 0.129 0.000 2.019 269 A HA -0.173 4.144 4.320 -0.005 0.000 0.219 269 A C 2.435 180.039 177.584 0.034 0.000 1.164 269 A CA 1.440 53.520 52.037 0.072 0.000 0.644 269 A CB -1.184 17.845 19.000 0.049 0.000 0.805 269 A HN 0.339 nan 8.150 nan 0.000 0.449 270 V N 0.141 120.063 119.914 0.014 0.000 2.250 270 V HA -0.386 3.731 4.120 -0.005 0.000 0.253 270 V C 2.245 178.317 176.094 -0.037 0.000 1.065 270 V CA 3.165 65.460 62.300 -0.009 0.000 1.039 270 V CB -0.588 31.219 31.823 -0.028 0.000 0.647 270 V HN 0.742 nan 8.190 nan 0.000 0.446 271 E N 0.164 120.328 120.200 -0.060 0.000 2.047 271 E HA -0.086 4.261 4.350 -0.005 0.000 0.191 271 E C -0.071 176.479 176.600 -0.084 0.000 0.987 271 E CA 1.837 58.154 56.400 -0.139 0.000 0.799 271 E CB -1.049 28.553 29.700 -0.163 0.000 0.752 271 E HN 0.616 nan 8.360 nan 0.000 0.449 272 P HA -0.194 nan 4.420 nan 0.000 0.216 272 P C 1.307 178.608 177.300 0.001 0.000 1.153 272 P CA 1.391 64.486 63.100 -0.008 0.000 0.848 272 P CB 0.104 31.812 31.700 0.014 0.000 0.787 273 Q N 1.108 120.913 119.800 0.008 0.000 2.112 273 Q HA -0.219 4.119 4.340 -0.005 0.000 0.206 273 Q C 2.093 178.102 176.000 0.016 0.000 0.987 273 Q CA 1.915 57.728 55.803 0.018 0.000 0.858 273 Q CB -0.938 27.811 28.738 0.019 0.000 0.905 273 Q HN 0.281 nan 8.270 nan 0.000 0.420 274 E N -0.259 119.942 120.200 0.003 0.000 2.086 274 E HA -0.243 4.104 4.350 -0.005 0.000 0.205 274 E C 2.011 178.630 176.600 0.032 0.000 1.027 274 E CA 1.785 58.194 56.400 0.015 0.000 0.830 274 E CB -0.358 29.331 29.700 -0.019 0.000 0.751 274 E HN 0.398 nan 8.360 nan 0.000 0.456 275 L N 0.299 121.535 121.223 0.021 0.000 2.056 275 L HA -0.161 4.176 4.340 -0.005 0.000 0.207 275 L C 2.498 179.402 176.870 0.056 0.000 1.078 275 L CA 0.580 55.446 54.840 0.042 0.000 0.749 275 L CB -0.372 41.701 42.059 0.023 0.000 0.901 275 L HN 0.047 nan 8.230 nan 0.000 0.433 276 V N -0.744 119.196 119.914 0.042 0.000 2.343 276 V HA -0.271 3.846 4.120 -0.005 0.000 0.247 276 V C 2.550 178.677 176.094 0.054 0.000 1.051 276 V CA 2.070 64.403 62.300 0.054 0.000 1.036 276 V CB -0.392 31.460 31.823 0.048 0.000 0.654 276 V HN 0.396 nan 8.190 nan 0.000 0.451 277 S N -0.142 115.575 115.700 0.028 0.000 2.402 277 S HA -0.058 4.409 4.470 -0.005 0.000 0.229 277 S C 1.888 176.450 174.600 -0.063 0.000 1.021 277 S CA 1.221 59.413 58.200 -0.012 0.000 0.974 277 S CB -0.289 62.905 63.200 -0.011 0.000 0.800 277 S HN 0.462 nan 8.310 nan 0.000 0.484 278 L N 1.200 122.425 121.223 0.004 0.000 2.093 278 L HA -0.068 4.269 4.340 -0.005 0.000 0.208 278 L C 2.155 179.035 176.870 0.018 0.000 1.085 278 L CA 0.900 55.756 54.840 0.026 0.000 0.755 278 L CB -0.549 41.595 42.059 0.142 0.000 0.904 278 L HN 0.314 nan 8.230 nan 0.000 0.435 279 L N -0.785 120.503 121.223 0.108 0.000 1.994 279 L HA -0.197 4.140 4.340 -0.005 0.000 0.208 279 L C 2.487 179.325 176.870 -0.054 0.000 1.071 279 L CA 1.468 56.415 54.840 0.179 0.000 0.745 279 L CB -0.845 41.505 42.059 0.486 0.000 0.892 279 L HN 0.308 nan 8.230 nan 0.000 0.431 280 E N 0.395 120.594 120.200 -0.001 0.000 2.085 280 E HA -0.217 4.131 4.350 -0.005 0.000 0.194 280 E C 2.333 178.928 176.600 -0.009 0.000 0.994 280 E CA 1.242 57.670 56.400 0.047 0.000 0.801 280 E CB -0.106 29.663 29.700 0.116 0.000 0.743 280 E HN 0.480 nan 8.360 nan 0.000 0.453 281 L N -0.919 120.160 121.223 -0.240 0.000 2.168 281 L HA -0.071 4.266 4.340 -0.005 0.000 0.203 281 L C 1.285 177.908 176.870 -0.411 0.000 1.078 281 L CA 0.687 55.239 54.840 -0.479 0.000 0.780 281 L CB 0.170 41.591 42.059 -1.063 0.000 0.939 281 L HN 0.131 nan 8.230 nan 0.000 0.451 282 Y N -1.686 118.560 120.300 -0.089 0.000 2.588 282 Y HA 0.332 4.879 4.550 -0.005 0.000 0.247 282 Y C 1.870 177.616 175.900 -0.256 0.000 1.157 282 Y CA -0.494 57.527 58.100 -0.132 0.000 1.215 282 Y CB -0.408 37.997 38.460 -0.091 0.000 1.245 282 Y HN -0.066 nan 8.280 nan 0.000 0.534 283 G N -0.248 108.342 108.800 -0.351 0.000 2.712 283 G HA2 0.254 4.211 3.960 -0.005 0.000 0.212 283 G HA3 0.254 4.211 3.960 -0.005 0.000 0.212 283 G C 1.559 176.117 174.900 -0.570 0.000 1.142 283 G CA 0.375 44.953 45.100 -0.869 0.000 0.789 283 G HN 0.529 nan 8.290 nan 0.000 0.535 284 G N -0.590 108.022 108.800 -0.314 0.000 2.179 284 G HA2 -0.299 3.659 3.960 -0.005 0.000 0.257 284 G HA3 -0.299 3.659 3.960 -0.005 0.000 0.257 284 G C 1.041 175.809 174.900 -0.220 0.000 1.010 284 G CA 0.542 45.527 45.100 -0.191 0.000 0.736 284 G HN 0.473 nan 8.290 nan 0.000 0.513 285 V N -0.536 119.160 119.914 -0.363 0.000 2.302 285 V HA 0.212 4.329 4.120 -0.005 0.000 0.243 285 V C 1.667 177.585 176.094 -0.293 0.000 1.036 285 V CA 1.528 63.588 62.300 -0.400 0.000 1.020 285 V CB -0.537 30.890 31.823 -0.661 0.000 0.657 285 V HN 0.292 nan 8.190 nan 0.000 0.453 286 F N 1.353 121.262 119.950 -0.068 0.000 2.378 286 F HA 0.461 4.985 4.527 -0.005 0.000 0.319 286 F C -1.815 173.957 175.800 -0.047 0.000 1.155 286 F CA -3.596 54.372 58.000 -0.054 0.000 1.157 286 F CB -0.891 38.074 39.000 -0.060 0.000 1.252 286 F HN 0.008 nan 8.300 nan 0.000 0.550 287 P HA 0.173 nan 4.420 nan 0.000 0.275 287 P C -0.992 176.357 177.300 0.081 0.000 1.227 287 P CA -0.286 62.865 63.100 0.085 0.000 0.781 287 P CB 1.367 33.104 31.700 0.062 0.000 0.906 288 L N 3.460 124.720 121.223 0.062 0.000 2.262 288 L HA 0.301 4.638 4.340 -0.005 0.000 0.288 288 L C -0.027 176.880 176.870 0.062 0.000 1.035 288 L CA 0.099 54.988 54.840 0.081 0.000 0.820 288 L CB 0.138 42.244 42.059 0.079 0.000 1.204 288 L HN 0.308 nan 8.230 nan 0.000 0.424 289 E N 4.461 124.703 120.200 0.069 0.000 2.376 289 E HA 0.340 4.687 4.350 -0.005 0.000 0.236 289 E C -1.196 175.435 176.600 0.053 0.000 0.962 289 E CA -0.283 56.145 56.400 0.047 0.000 0.768 289 E CB 1.127 30.848 29.700 0.034 0.000 1.236 289 E HN 0.490 nan 8.360 nan 0.000 0.431 290 D N 2.619 123.040 120.400 0.035 0.000 2.491 290 D HA 0.016 4.653 4.640 -0.005 0.000 0.232 290 D C 0.581 176.877 176.300 -0.008 0.000 1.334 290 D CA -0.172 53.834 54.000 0.011 0.000 0.909 290 D CB 0.533 41.328 40.800 -0.008 0.000 1.513 290 D HN 0.238 nan 8.370 nan 0.000 0.514 291 E N 0.868 121.080 120.200 0.020 0.000 2.172 291 E HA -0.272 4.075 4.350 -0.005 0.000 0.213 291 E C 1.212 177.848 176.600 0.060 0.000 1.051 291 E CA 1.667 58.087 56.400 0.034 0.000 0.860 291 E CB 0.388 30.116 29.700 0.046 0.000 0.755 291 E HN 0.477 nan 8.360 nan 0.000 0.462 292 E N -0.283 119.977 120.200 0.100 0.000 2.076 292 E HA -0.093 4.254 4.350 -0.005 0.000 0.190 292 E C 2.272 179.039 176.600 0.279 0.000 0.979 292 E CA 0.657 57.225 56.400 0.280 0.000 0.807 292 E CB 0.048 29.969 29.700 0.367 0.000 0.761 292 E HN 0.150 nan 8.360 nan 0.000 0.454 293 V N 1.863 121.692 119.914 -0.142 0.000 2.515 293 V HA -0.173 3.944 4.120 -0.005 0.000 0.250 293 V C 2.471 178.445 176.094 -0.202 0.000 1.058 293 V CA 0.959 62.994 62.300 -0.441 0.000 1.064 293 V CB -0.383 30.816 31.823 -1.040 0.000 0.675 293 V HN 0.207 nan 8.190 nan 0.000 0.461 294 L N -0.201 120.954 121.223 -0.113 0.000 2.201 294 L HA -0.178 4.159 4.340 -0.005 0.000 0.212 294 L C 2.478 179.323 176.870 -0.041 0.000 1.105 294 L CA 1.474 56.277 54.840 -0.061 0.000 0.775 294 L CB -0.009 42.032 42.059 -0.030 0.000 0.913 294 L HN 0.393 nan 8.230 nan 0.000 0.440 295 Q N -1.278 118.503 119.800 -0.032 0.000 2.226 295 Q HA -0.122 4.216 4.340 -0.005 0.000 0.199 295 Q C 1.995 177.859 176.000 -0.227 0.000 0.945 295 Q CA 1.479 57.198 55.803 -0.139 0.000 0.861 295 Q CB -0.001 28.624 28.738 -0.188 0.000 0.953 295 Q HN 0.506 nan 8.270 nan 0.000 0.490 296 H N -0.737 118.399 119.070 0.110 0.000 2.431 296 H HA 0.312 4.866 4.556 -0.004 0.000 0.295 296 H C 0.844 176.257 175.328 0.141 0.000 1.038 296 H CA 1.009 57.147 56.048 0.150 0.000 1.360 296 H CB 0.106 30.010 29.762 0.237 0.000 1.433 296 H HN 0.349 nan 8.280 nan 0.000 0.536 297 G N 0.595 109.510 108.800 0.191 0.000 2.860 297 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.553 297 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.553 297 G C -0.612 174.387 174.900 0.164 0.000 1.439 297 G CA -0.117 45.036 45.100 0.088 0.000 0.879 297 G HN 0.251 nan 8.290 nan 0.000 0.545 298 V N 0.739 120.709 119.914 0.092 0.000 2.448 298 V HA 0.564 4.682 4.120 -0.005 0.000 0.295 298 V C 0.304 176.479 176.094 0.135 0.000 1.025 298 V CA -0.567 61.828 62.300 0.158 0.000 0.859 298 V CB 1.607 33.510 31.823 0.134 0.000 0.988 298 V HN 0.749 nan 8.190 nan 0.000 0.431 299 E N 4.295 124.611 120.200 0.195 0.000 2.175 299 E HA 0.597 4.944 4.350 -0.005 0.000 0.278 299 E C -1.103 175.595 176.600 0.162 0.000 0.969 299 E CA -0.499 55.968 56.400 0.112 0.000 0.796 299 E CB 2.230 32.071 29.700 0.235 0.000 1.104 299 E HN 0.570 nan 8.360 nan 0.000 0.395 300 I N 3.886 124.448 120.570 -0.014 0.000 2.355 300 I HA 0.297 4.464 4.170 -0.005 0.000 0.288 300 I C -0.793 175.328 176.117 0.006 0.000 0.999 300 I CA -0.531 60.821 61.300 0.086 0.000 1.163 300 I CB 0.695 38.728 38.000 0.055 0.000 1.316 300 I HN 0.363 nan 8.210 nan 0.000 0.454 301 F N 4.237 124.279 119.950 0.153 0.000 2.421 301 F HA 0.449 4.973 4.527 -0.005 0.000 0.337 301 F C 0.280 176.129 175.800 0.083 0.000 1.105 301 F CA -0.555 57.520 58.000 0.125 0.000 1.049 301 F CB 1.380 40.407 39.000 0.044 0.000 1.139 301 F HN 0.342 nan 8.300 nan 0.000 0.479 302 Q N 4.278 124.214 119.800 0.226 0.000 2.381 302 Q HA 0.515 4.852 4.340 -0.005 0.000 0.263 302 Q C -1.023 175.069 176.000 0.154 0.000 1.030 302 Q CA -0.350 55.548 55.803 0.158 0.000 0.772 302 Q CB 2.193 30.986 28.738 0.091 0.000 1.232 302 Q HN 0.580 nan 8.270 nan 0.000 0.476 303 I N 1.753 122.417 120.570 0.157 0.000 2.354 303 I HA 0.219 4.386 4.170 -0.005 0.000 0.292 303 I C 0.071 176.268 176.117 0.133 0.000 0.989 303 I CA -0.511 60.866 61.300 0.129 0.000 1.188 303 I CB 1.571 39.634 38.000 0.104 0.000 1.342 303 I HN 0.524 nan 8.210 nan 0.000 0.457 304 E N 4.639 124.909 120.200 0.116 0.000 2.146 304 E HA 0.275 4.622 4.350 -0.005 0.000 0.282 304 E C -0.812 175.881 176.600 0.155 0.000 0.989 304 E CA -0.402 56.078 56.400 0.134 0.000 0.799 304 E CB 1.216 30.971 29.700 0.092 0.000 1.088 304 E HN 0.483 nan 8.360 nan 0.000 0.397 305 T N 3.644 118.336 114.554 0.229 0.000 2.909 305 T HA 0.206 4.553 4.350 -0.005 0.000 0.289 305 T C 1.142 175.985 174.700 0.240 0.000 1.005 305 T CA -0.582 61.655 62.100 0.227 0.000 1.084 305 T CB 0.915 69.965 68.868 0.303 0.000 0.975 305 T HN 0.424 nan 8.240 nan 0.000 0.509 306 R N 1.912 122.498 120.500 0.143 0.000 2.119 306 R HA 0.107 4.444 4.340 -0.005 0.000 0.222 306 R C 0.305 176.652 176.300 0.079 0.000 1.088 306 R CA 0.575 56.747 56.100 0.120 0.000 0.984 306 R CB -0.120 30.220 30.300 0.067 0.000 0.884 306 R HN 0.527 nan 8.270 nan 0.000 0.447 307 N N 2.206 120.894 118.700 -0.020 0.000 2.444 307 N HA 0.182 4.919 4.740 -0.005 0.000 0.271 307 N C -2.470 172.782 175.510 -0.430 0.000 1.069 307 N CA -1.388 51.540 53.050 -0.203 0.000 0.965 307 N CB 1.089 39.422 38.487 -0.256 0.000 1.092 307 N HN -0.098 nan 8.380 nan 0.000 0.476 308 P HA -0.042 nan 4.420 nan 0.000 0.265 308 P C -0.695 175.958 177.300 -1.078 0.000 1.187 308 P CA 0.075 62.329 63.100 -1.411 0.000 0.766 308 P CB 0.491 31.663 31.700 -0.879 0.000 0.820 309 A N 3.383 125.474 122.820 -1.214 0.000 2.366 309 A HA 0.472 4.789 4.320 -0.005 0.000 0.272 309 A C -0.697 176.801 177.584 -0.144 0.000 1.135 309 A CA 0.133 52.004 52.037 -0.276 0.000 0.804 309 A CB -0.465 18.616 19.000 0.135 0.000 1.064 309 A HN 0.465 nan 8.150 nan 0.000 0.499 310 L N 4.122 125.423 121.223 0.131 0.000 2.504 310 L HA 0.364 4.702 4.340 -0.005 0.000 0.265 310 L C -0.195 176.897 176.870 0.370 0.000 0.975 310 L CA 0.167 55.191 54.840 0.306 0.000 0.864 310 L CB 1.133 43.409 42.059 0.362 0.000 1.212 310 L HN 0.886 nan 8.230 nan 0.000 0.416 311 H N 1.069 120.251 119.070 0.186 0.000 2.649 311 H HA 0.449 5.003 4.556 -0.004 0.000 0.337 311 H C -0.872 174.414 175.328 -0.070 0.000 1.282 311 H CA -0.852 55.191 56.048 -0.008 0.000 1.333 311 H CB 2.410 32.169 29.762 -0.005 0.000 1.787 311 H HN 0.456 nan 8.280 nan 0.000 0.632 312 E N 1.471 121.566 120.200 -0.176 0.000 2.151 312 E HA 0.169 4.516 4.350 -0.005 0.000 0.275 312 E C -1.356 175.267 176.600 0.038 0.000 0.936 312 E CA -0.767 55.586 56.400 -0.078 0.000 0.777 312 E CB 0.660 30.195 29.700 -0.275 0.000 1.108 312 E HN 0.607 nan 8.360 nan 0.000 0.401 313 N N 1.835 120.590 118.700 0.091 0.000 2.262 313 N HA 0.657 5.394 4.740 -0.005 0.000 0.295 313 N C -1.520 174.044 175.510 0.090 0.000 1.161 313 N CA -0.957 52.145 53.050 0.087 0.000 0.767 313 N CB 1.732 40.273 38.487 0.090 0.000 1.499 313 N HN 0.455 nan 8.380 nan 0.000 0.476 314 K N -0.702 119.754 120.400 0.093 0.000 2.501 314 K HA 0.788 5.106 4.320 -0.005 0.000 0.252 314 K C 0.359 177.010 176.600 0.086 0.000 0.934 314 K CA -0.707 55.629 56.287 0.081 0.000 0.797 314 K CB 0.794 33.335 32.500 0.068 0.000 1.270 314 K HN 1.666 nan 8.250 nan 0.000 0.431 315 G N 2.204 111.034 108.800 0.051 0.000 2.387 315 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.270 315 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.270 315 G C -0.167 174.716 174.900 -0.029 0.000 0.957 315 G CA 0.381 45.487 45.100 0.010 0.000 1.352 315 G HN 0.873 nan 8.290 nan 0.000 0.457 316 D N 0.446 120.839 120.400 -0.013 0.000 2.413 316 D HA 0.127 4.764 4.640 -0.005 0.000 0.237 316 D C 1.816 178.066 176.300 -0.084 0.000 1.171 316 D CA -0.029 53.977 54.000 0.010 0.000 0.839 316 D CB 0.361 41.191 40.800 0.050 0.000 0.950 316 D HN 0.466 nan 8.370 nan 0.000 0.499 317 E N 0.225 120.280 120.200 -0.241 0.000 2.187 317 E HA -0.254 4.093 4.350 -0.005 0.000 0.199 317 E C 0.882 177.357 176.600 -0.209 0.000 1.004 317 E CA 1.126 57.382 56.400 -0.240 0.000 0.813 317 E CB 0.015 29.544 29.700 -0.286 0.000 0.736 317 E HN 0.643 nan 8.360 nan 0.000 0.468 318 H N -0.608 118.449 119.070 -0.021 0.000 2.518 318 H HA -0.122 4.431 4.556 -0.005 0.000 0.292 318 H C 1.956 177.170 175.328 -0.191 0.000 1.068 318 H CA 0.721 56.706 56.048 -0.105 0.000 1.275 318 H CB -0.035 29.684 29.762 -0.072 0.000 1.375 318 H HN 0.110 nan 8.280 nan 0.000 0.563 319 I N 0.860 121.435 120.570 0.007 0.000 2.185 319 I HA -0.339 3.829 4.170 -0.005 0.000 0.246 319 I C 2.629 178.715 176.117 -0.052 0.000 1.088 319 I CA 1.458 62.764 61.300 0.009 0.000 1.347 319 I CB -0.358 37.685 38.000 0.073 0.000 1.041 319 I HN 0.222 nan 8.210 nan 0.000 0.415 320 R N 0.295 120.763 120.500 -0.052 0.000 2.073 320 R HA -0.178 4.159 4.340 -0.005 0.000 0.234 320 R C 1.816 178.070 176.300 -0.076 0.000 1.134 320 R CA 1.919 57.986 56.100 -0.055 0.000 0.952 320 R CB -0.329 29.945 30.300 -0.043 0.000 0.850 320 R HN 0.403 nan 8.270 nan 0.000 0.433 321 D N 0.204 120.546 120.400 -0.096 0.000 2.264 321 D HA -0.184 4.453 4.640 -0.005 0.000 0.208 321 D C 1.806 177.985 176.300 -0.202 0.000 0.966 321 D CA 0.999 54.936 54.000 -0.106 0.000 0.864 321 D CB -0.032 40.736 40.800 -0.053 0.000 0.933 321 D HN 0.352 nan 8.370 nan 0.000 0.499 322 M N 0.180 119.593 119.600 -0.312 0.000 2.099 322 M HA -0.131 4.346 4.480 -0.005 0.000 0.262 322 M C 2.108 178.344 176.300 -0.106 0.000 1.067 322 M CA 0.891 56.017 55.300 -0.288 0.000 1.124 322 M CB 0.061 32.514 32.600 -0.245 0.000 1.353 322 M HN -0.028 nan 8.290 nan 0.000 0.410 323 L N 0.304 121.472 121.223 -0.090 0.000 1.994 323 L HA -0.193 4.144 4.340 -0.005 0.000 0.208 323 L C 2.180 179.028 176.870 -0.037 0.000 1.071 323 L CA 1.662 56.467 54.840 -0.059 0.000 0.745 323 L CB -0.768 41.257 42.059 -0.058 0.000 0.892 323 L HN 0.381 nan 8.230 nan 0.000 0.431 324 L N -0.303 120.898 121.223 -0.036 0.000 2.127 324 L HA -0.104 4.233 4.340 -0.005 0.000 0.211 324 L C 2.362 179.235 176.870 0.006 0.000 1.089 324 L CA 2.028 56.856 54.840 -0.019 0.000 0.757 324 L CB -0.951 41.095 42.059 -0.021 0.000 0.899 324 L HN 0.278 nan 8.230 nan 0.000 0.434 325 A N -1.044 121.785 122.820 0.015 0.000 1.841 325 A HA -0.245 4.072 4.320 -0.005 0.000 0.214 325 A C 2.527 180.144 177.584 0.054 0.000 1.195 325 A CA 1.583 53.652 52.037 0.053 0.000 0.611 325 A CB -1.613 17.448 19.000 0.102 0.000 0.835 325 A HN 0.672 nan 8.150 nan 0.000 0.443 326 C N -0.884 118.440 119.300 0.040 0.000 2.432 326 C HA -0.038 4.419 4.460 -0.005 0.000 0.277 326 C C 2.536 177.549 174.990 0.037 0.000 1.249 326 C CA 1.309 60.349 59.018 0.035 0.000 1.725 326 C CB -1.539 26.210 27.740 0.015 0.000 2.028 326 C HN 0.501 nan 8.230 nan 0.000 0.477 327 L N 1.534 122.772 121.223 0.024 0.000 2.265 327 L HA 0.018 4.355 4.340 -0.005 0.000 0.215 327 L C 2.754 179.666 176.870 0.070 0.000 1.117 327 L CA 1.864 56.723 54.840 0.031 0.000 0.782 327 L CB -0.825 41.238 42.059 0.007 0.000 0.914 327 L HN 0.462 nan 8.230 nan 0.000 0.441 328 A N -1.353 121.514 122.820 0.079 0.000 1.898 328 A HA -0.173 4.144 4.320 -0.005 0.000 0.216 328 A C 2.341 180.076 177.584 0.250 0.000 1.181 328 A CA 2.040 54.174 52.037 0.162 0.000 0.620 328 A CB -0.912 18.173 19.000 0.142 0.000 0.819 328 A HN 0.404 nan 8.150 nan 0.000 0.442 329 T N 0.093 114.739 114.554 0.153 0.000 2.635 329 T HA -0.186 4.161 4.350 -0.005 0.000 0.267 329 T C 1.889 176.669 174.700 0.133 0.000 1.040 329 T CA 1.929 64.107 62.100 0.130 0.000 1.156 329 T CB -0.666 68.247 68.868 0.075 0.000 0.863 329 T HN 0.170 nan 8.240 nan 0.000 0.430 330 V N 0.377 120.351 119.914 0.099 0.000 2.261 330 V HA -0.193 3.924 4.120 -0.005 0.000 0.246 330 V C 2.019 178.150 176.094 0.062 0.000 1.047 330 V CA 1.852 64.191 62.300 0.065 0.000 1.015 330 V CB -0.897 30.949 31.823 0.038 0.000 0.642 330 V HN 0.482 nan 8.190 nan 0.000 0.446 331 Y N 0.849 121.111 120.300 -0.063 0.000 2.102 331 Y HA -0.305 4.242 4.550 -0.005 0.000 0.280 331 Y C 2.484 178.251 175.900 -0.223 0.000 1.178 331 Y CA 2.278 60.269 58.100 -0.182 0.000 1.146 331 Y CB -0.276 38.002 38.460 -0.304 0.000 0.968 331 Y HN 0.372 nan 8.280 nan 0.000 0.504 332 H N -0.595 118.579 119.070 0.175 0.000 2.536 332 H HA 0.162 4.715 4.556 -0.005 0.000 0.276 332 H C 0.715 176.056 175.328 0.022 0.000 1.019 332 H CA 0.523 56.628 56.048 0.094 0.000 1.159 332 H CB -0.131 29.718 29.762 0.146 0.000 1.373 332 H HN 0.108 nan 8.280 nan 0.000 0.584 333 S N 0.685 116.430 115.700 0.075 0.000 2.576 333 S HA 0.037 4.504 4.470 -0.005 0.000 0.276 333 S C 1.340 175.976 174.600 0.060 0.000 1.339 333 S CA -0.497 57.745 58.200 0.070 0.000 1.039 333 S CB 1.006 64.239 63.200 0.055 0.000 0.902 333 S HN 0.333 nan 8.310 nan 0.000 0.516 334 K N 3.022 123.493 120.400 0.119 0.000 2.442 334 K HA 0.044 4.361 4.320 -0.005 0.000 0.198 334 K C 1.071 177.786 176.600 0.193 0.000 1.044 334 K CA 0.982 57.376 56.287 0.179 0.000 0.948 334 K CB -0.135 32.535 32.500 0.284 0.000 0.762 334 K HN 0.571 nan 8.250 nan 0.000 0.472 335 L N -0.025 121.263 121.223 0.109 0.000 2.616 335 L HA 0.210 4.547 4.340 -0.005 0.000 0.229 335 L C 0.550 177.416 176.870 -0.008 0.000 1.110 335 L CA -0.565 54.295 54.840 0.033 0.000 0.884 335 L CB 0.282 42.355 42.059 0.023 0.000 1.115 335 L HN -0.032 nan 8.230 nan 0.000 0.481 336 A N 0.964 123.766 122.820 -0.030 0.000 2.511 336 A HA 0.340 4.658 4.320 -0.005 0.000 0.242 336 A C 0.709 178.238 177.584 -0.092 0.000 1.069 336 A CA 0.210 52.199 52.037 -0.081 0.000 0.763 336 A CB -0.152 18.760 19.000 -0.146 0.000 1.001 336 A HN 0.333 nan 8.150 nan 0.000 0.498 337 T N -0.191 114.310 114.554 -0.089 0.000 2.927 337 T HA 0.382 4.729 4.350 -0.005 0.000 0.281 337 T C 0.867 175.508 174.700 -0.098 0.000 0.998 337 T CA -0.453 61.597 62.100 -0.082 0.000 1.019 337 T CB 1.034 69.859 68.868 -0.071 0.000 1.061 337 T HN 0.556 nan 8.240 nan 0.000 0.518 338 E N 0.836 120.986 120.200 -0.084 0.000 2.114 338 E HA -0.185 4.162 4.350 -0.005 0.000 0.199 338 E C 1.912 178.472 176.600 -0.067 0.000 1.008 338 E CA 1.735 58.086 56.400 -0.081 0.000 0.810 338 E CB -0.318 29.348 29.700 -0.057 0.000 0.739 338 E HN 0.797 nan 8.360 nan 0.000 0.456 339 E N -0.215 119.950 120.200 -0.059 0.000 2.051 339 E HA -0.128 4.219 4.350 -0.005 0.000 0.192 339 E C 2.250 178.823 176.600 -0.044 0.000 0.991 339 E CA 1.136 57.508 56.400 -0.047 0.000 0.799 339 E CB -0.296 29.374 29.700 -0.050 0.000 0.748 339 E HN 0.080 nan 8.360 nan 0.000 0.449 340 V N 0.764 120.644 119.914 -0.057 0.000 2.261 340 V HA -0.258 3.860 4.120 -0.005 0.000 0.246 340 V C 2.317 178.389 176.094 -0.036 0.000 1.047 340 V CA 1.866 64.136 62.300 -0.050 0.000 1.015 340 V CB -0.511 31.274 31.823 -0.064 0.000 0.642 340 V HN 0.186 nan 8.190 nan 0.000 0.446 341 R N -0.345 120.105 120.500 -0.083 0.000 2.112 341 R HA -0.288 4.050 4.340 -0.005 0.000 0.242 341 R C 2.496 178.834 176.300 0.064 0.000 1.137 341 R CA 2.408 58.453 56.100 -0.092 0.000 0.944 341 R CB -0.412 29.697 30.300 -0.318 0.000 0.857 341 R HN 0.501 nan 8.270 nan 0.000 0.435 342 Q N 0.376 120.187 119.800 0.019 0.000 2.020 342 Q HA -0.145 4.192 4.340 -0.005 0.000 0.202 342 Q C 2.047 178.064 176.000 0.028 0.000 0.982 342 Q CA 2.317 58.140 55.803 0.035 0.000 0.838 342 Q CB -0.577 28.164 28.738 0.006 0.000 0.899 342 Q HN 0.202 nan 8.270 nan 0.000 0.423 343 S N -1.204 114.501 115.700 0.008 0.000 2.372 343 S HA -0.190 4.277 4.470 -0.005 0.000 0.227 343 S C 1.925 176.532 174.600 0.012 0.000 1.044 343 S CA 1.732 59.933 58.200 0.001 0.000 1.050 343 S CB -0.623 62.570 63.200 -0.011 0.000 0.901 343 S HN 0.301 nan 8.310 nan 0.000 0.447 344 V N 1.699 121.632 119.914 0.033 0.000 2.287 344 V HA -0.166 3.951 4.120 -0.005 0.000 0.248 344 V C 2.493 178.603 176.094 0.027 0.000 1.053 344 V CA 2.093 64.419 62.300 0.044 0.000 1.027 344 V CB -0.700 31.182 31.823 0.100 0.000 0.646 344 V HN 0.482 nan 8.190 nan 0.000 0.447 345 L N -0.518 120.733 121.223 0.047 0.000 2.017 345 L HA -0.230 4.107 4.340 -0.005 0.000 0.208 345 L C 2.582 179.443 176.870 -0.015 0.000 1.073 345 L CA 1.837 56.674 54.840 -0.005 0.000 0.745 345 L CB -0.557 41.516 42.059 0.024 0.000 0.894 345 L HN 0.364 nan 8.230 nan 0.000 0.432 346 E N -0.425 119.774 120.200 -0.002 0.000 2.070 346 E HA -0.307 4.040 4.350 -0.005 0.000 0.197 346 E C 2.028 178.619 176.600 -0.016 0.000 1.004 346 E CA 1.671 58.065 56.400 -0.009 0.000 0.805 346 E CB 0.021 29.717 29.700 -0.007 0.000 0.744 346 E HN 0.356 nan 8.360 nan 0.000 0.451 347 E N 0.710 120.901 120.200 -0.016 0.000 2.017 347 E HA -0.168 4.179 4.350 -0.005 0.000 0.193 347 E C 2.002 178.586 176.600 -0.026 0.000 0.997 347 E CA 1.013 57.400 56.400 -0.021 0.000 0.804 347 E CB -0.229 29.459 29.700 -0.020 0.000 0.757 347 E HN 0.145 nan 8.360 nan 0.000 0.448 348 L N 0.298 121.502 121.223 -0.032 0.000 2.013 348 L HA -0.291 4.046 4.340 -0.005 0.000 0.212 348 L C 2.807 179.654 176.870 -0.039 0.000 1.073 348 L CA 1.867 56.683 54.840 -0.040 0.000 0.753 348 L CB -0.476 41.549 42.059 -0.057 0.000 0.890 348 L HN 0.269 nan 8.230 nan 0.000 0.432 349 Q N -0.560 119.217 119.800 -0.038 0.000 2.152 349 Q HA -0.173 4.164 4.340 -0.005 0.000 0.206 349 Q C 1.549 177.534 176.000 -0.026 0.000 0.985 349 Q CA 1.487 57.270 55.803 -0.033 0.000 0.863 349 Q CB -0.199 28.521 28.738 -0.029 0.000 0.904 349 Q HN 0.561 nan 8.270 nan 0.000 0.422 350 A N -0.455 122.351 122.820 -0.024 0.000 2.543 350 A HA 0.526 4.843 4.320 -0.005 0.000 0.258 350 A C -0.035 177.536 177.584 -0.022 0.000 1.391 350 A CA 0.529 52.554 52.037 -0.021 0.000 1.066 350 A CB -0.406 18.583 19.000 -0.019 0.000 0.972 350 A HN 0.288 nan 8.150 nan 0.000 0.560 359 E N 2.016 122.173 120.200 -0.070 0.000 3.664 359 E HA 0.128 4.475 4.350 -0.005 0.000 0.378 359 E C -2.986 173.550 176.600 -0.105 0.000 1.032 359 E CA -0.926 55.430 56.400 -0.073 0.000 0.817 359 E CB 1.396 31.072 29.700 -0.040 0.000 1.281 359 E HN 0.084 nan 8.360 nan 0.000 0.488 360 P HA 0.550 nan 4.420 nan 0.000 0.310 360 P C -2.921 174.380 177.300 0.002 0.000 1.505 360 P CA -1.532 61.457 63.100 -0.184 0.000 1.118 360 P CB 1.705 33.073 31.700 -0.552 0.000 1.177 361 P HA 0.380 nan 4.420 nan 0.000 0.296 361 P C -2.706 174.563 177.300 -0.052 0.000 1.306 361 P CA -1.827 61.283 63.100 0.017 0.000 0.818 361 P CB 0.710 32.400 31.700 -0.018 0.000 0.969 362 P HA 0.265 nan 4.420 nan 0.000 0.279 362 P C -2.258 174.867 177.300 -0.291 0.000 1.239 362 P CA -1.338 61.317 63.100 -0.742 0.000 0.789 362 P CB -0.386 30.883 31.700 -0.718 0.000 0.933 363 P HA 0.149 nan 4.420 nan 0.000 0.276 363 P C -0.693 176.521 177.300 -0.143 0.000 1.252 363 P CA -0.308 62.724 63.100 -0.113 0.000 0.802 363 P CB 0.523 32.190 31.700 -0.055 0.000 1.035 364 V N 2.033 121.855 119.914 -0.154 0.000 2.385 364 V HA 0.179 4.297 4.120 -0.005 0.000 0.269 364 V C 0.295 176.211 176.094 -0.297 0.000 1.043 364 V CA -0.282 61.878 62.300 -0.233 0.000 0.906 364 V CB 0.471 32.139 31.823 -0.260 0.000 0.995 364 V HN 0.357 nan 8.190 nan 0.000 0.467 365 L N 6.485 127.538 121.223 -0.284 0.000 2.342 365 L HA 0.546 4.883 4.340 -0.005 0.000 0.276 365 L C -0.725 176.024 176.870 -0.201 0.000 0.997 365 L CA -0.219 54.497 54.840 -0.207 0.000 0.838 365 L CB 1.129 43.121 42.059 -0.111 0.000 1.224 365 L HN 0.485 nan 8.230 nan 0.000 0.416 366 Y N 5.965 126.246 120.300 -0.031 0.000 2.346 366 Y HA 0.352 4.899 4.550 -0.005 0.000 0.330 366 Y C -1.778 174.093 175.900 -0.048 0.000 1.178 366 Y CA -2.183 55.891 58.100 -0.043 0.000 1.331 366 Y CB 0.033 38.548 38.460 0.092 0.000 1.253 366 Y HN 0.465 nan 8.280 nan 0.000 0.529 367 P HA 0.112 nan 4.420 nan 0.000 0.272 367 P C -2.656 174.768 177.300 0.206 0.000 1.230 367 P CA -1.553 61.546 63.100 -0.001 0.000 0.788 367 P CB 0.273 31.852 31.700 -0.202 0.000 0.949 368 P HA 0.034 nan 4.420 nan 0.000 0.266 368 P C 0.971 178.395 177.300 0.207 0.000 1.186 368 P CA 0.362 63.554 63.100 0.153 0.000 0.767 368 P CB 0.229 31.986 31.700 0.095 0.000 0.820 369 L N 1.618 122.890 121.223 0.082 0.000 2.552 369 L HA -0.113 4.224 4.340 -0.005 0.000 0.227 369 L C 2.143 179.001 176.870 -0.020 0.000 1.146 369 L CA 0.925 55.718 54.840 -0.078 0.000 0.858 369 L CB -0.521 41.422 42.059 -0.195 0.000 0.969 369 L HN 0.449 nan 8.230 nan 0.000 0.451 370 S N -1.109 114.617 115.700 0.043 0.000 2.400 370 S HA -0.212 4.255 4.470 -0.005 0.000 0.232 370 S C 2.124 176.757 174.600 0.054 0.000 1.025 370 S CA 1.280 59.504 58.200 0.041 0.000 0.993 370 S CB -0.594 62.638 63.200 0.053 0.000 0.808 370 S HN 0.571 nan 8.310 nan 0.000 0.478 371 S N 1.231 116.994 115.700 0.104 0.000 2.474 371 S HA 0.074 4.541 4.470 -0.005 0.000 0.235 371 S C 0.617 175.290 174.600 0.122 0.000 0.997 371 S CA 0.079 58.355 58.200 0.127 0.000 0.949 371 S CB -0.862 62.449 63.200 0.185 0.000 0.766 371 S HN 0.561 nan 8.310 nan 0.000 0.517 372 L N 2.742 124.020 121.223 0.091 0.000 2.360 372 L HA 0.439 4.776 4.340 -0.005 0.000 0.276 372 L C -0.466 176.401 176.870 -0.005 0.000 1.121 372 L CA -0.112 54.754 54.840 0.043 0.000 0.845 372 L CB 0.711 42.704 42.059 -0.111 0.000 1.143 372 L HN -0.031 nan 8.230 nan 0.000 0.452 373 D N 4.365 124.766 120.400 0.001 0.000 2.374 373 D HA 0.104 4.741 4.640 -0.005 0.000 0.240 373 D C 1.013 177.291 176.300 -0.038 0.000 1.229 373 D CA 0.159 54.151 54.000 -0.014 0.000 0.895 373 D CB 0.637 41.435 40.800 -0.002 0.000 1.046 373 D HN 0.669 nan 8.370 nan 0.000 0.498 374 L N 2.755 123.949 121.223 -0.049 0.000 2.201 374 L HA -0.147 4.190 4.340 -0.005 0.000 0.212 374 L C 2.380 179.223 176.870 -0.045 0.000 1.105 374 L CA 0.660 55.462 54.840 -0.063 0.000 0.775 374 L CB -0.127 41.893 42.059 -0.066 0.000 0.913 374 L HN 0.434 nan 8.230 nan 0.000 0.440 375 Q N -0.128 119.654 119.800 -0.031 0.000 2.020 375 Q HA -0.184 4.153 4.340 -0.005 0.000 0.202 375 Q C 2.488 178.478 176.000 -0.016 0.000 0.982 375 Q CA 1.822 57.612 55.803 -0.022 0.000 0.838 375 Q CB -0.331 28.397 28.738 -0.017 0.000 0.899 375 Q HN 0.542 nan 8.270 nan 0.000 0.423 376 A N 0.465 123.276 122.820 -0.016 0.000 1.873 376 A HA -0.173 4.144 4.320 -0.005 0.000 0.218 376 A C 2.421 179.996 177.584 -0.014 0.000 1.193 376 A CA 1.965 53.995 52.037 -0.011 0.000 0.629 376 A CB -0.907 18.086 19.000 -0.012 0.000 0.826 376 A HN 0.230 nan 8.150 nan 0.000 0.447 377 V N -0.305 119.586 119.914 -0.037 0.000 2.392 377 V HA -0.268 3.849 4.120 -0.005 0.000 0.249 377 V C 2.621 178.708 176.094 -0.012 0.000 1.059 377 V CA 2.340 64.606 62.300 -0.057 0.000 1.051 377 V CB -0.845 30.903 31.823 -0.124 0.000 0.658 377 V HN 0.583 nan 8.190 nan 0.000 0.455 378 R N 0.172 120.671 120.500 -0.002 0.000 2.070 378 R HA -0.186 4.151 4.340 -0.005 0.000 0.233 378 R C 2.513 178.845 176.300 0.053 0.000 1.137 378 R CA 1.960 58.078 56.100 0.031 0.000 0.945 378 R CB -0.323 29.972 30.300 -0.009 0.000 0.845 378 R HN 0.485 nan 8.270 nan 0.000 0.430 379 K N 0.074 120.492 120.400 0.031 0.000 2.020 379 K HA -0.189 4.128 4.320 -0.005 0.000 0.212 379 K C 1.815 178.459 176.600 0.074 0.000 1.050 379 K CA 1.909 58.220 56.287 0.040 0.000 0.929 379 K CB -0.259 32.255 32.500 0.023 0.000 0.714 379 K HN 0.243 nan 8.250 nan 0.000 0.443 380 A N 0.829 123.688 122.820 0.066 0.000 2.067 380 A HA -0.017 4.300 4.320 -0.005 0.000 0.219 380 A C 1.732 179.415 177.584 0.165 0.000 1.158 380 A CA 0.892 52.981 52.037 0.086 0.000 0.661 380 A CB -0.197 18.825 19.000 0.036 0.000 0.801 380 A HN 0.373 nan 8.150 nan 0.000 0.452 381 L N -0.789 120.552 121.223 0.196 0.000 2.791 381 L HA 0.142 4.479 4.340 -0.005 0.000 0.239 381 L C 1.961 179.090 176.870 0.431 0.000 1.203 381 L CA -0.328 54.726 54.840 0.357 0.000 1.002 381 L CB -0.160 42.090 42.059 0.319 0.000 1.295 381 L HN 0.346 nan 8.230 nan 0.000 0.504 382 R N 0.810 121.477 120.500 0.278 0.000 2.205 382 R HA -0.160 4.177 4.340 -0.005 0.000 0.221 382 R C 2.077 178.453 176.300 0.127 0.000 1.101 382 R CA 1.811 58.012 56.100 0.167 0.000 0.869 382 R CB -0.928 29.422 30.300 0.084 0.000 0.815 382 R HN 0.427 nan 8.270 nan 0.000 0.434 383 G N 0.325 109.105 108.800 -0.032 0.000 2.653 383 G HA2 -0.205 3.753 3.960 -0.005 0.000 0.212 383 G HA3 -0.205 3.753 3.960 -0.005 0.000 0.212 383 G C 0.897 175.657 174.900 -0.235 0.000 1.138 383 G CA 0.666 45.657 45.100 -0.182 0.000 0.782 383 G HN 0.475 nan 8.290 nan 0.000 0.535 384 H N -1.728 117.407 119.070 0.108 0.000 2.506 384 H HA 0.149 4.701 4.556 -0.006 0.000 0.289 384 H C 1.976 177.289 175.328 -0.025 0.000 1.009 384 H CA -0.228 55.814 56.048 -0.009 0.000 1.303 384 H CB -0.116 29.681 29.762 0.058 0.000 1.453 384 H HN 0.318 nan 8.280 nan 0.000 0.526 385 F N 2.385 122.504 119.950 0.283 0.000 2.115 385 F HA -0.320 4.205 4.527 -0.003 0.000 0.300 385 F C 2.861 178.774 175.800 0.187 0.000 1.092 385 F CA 1.598 59.844 58.000 0.409 0.000 1.245 385 F CB -0.183 38.998 39.000 0.303 0.000 0.995 385 F HN 0.050 nan 8.300 nan 0.000 0.481 386 S N 0.218 116.082 115.700 0.273 0.000 2.421 386 S HA -0.318 4.149 4.470 -0.005 0.000 0.239 386 S C 1.944 176.564 174.600 0.034 0.000 1.054 386 S CA 2.076 60.353 58.200 0.128 0.000 1.035 386 S CB -0.445 62.788 63.200 0.054 0.000 0.840 386 S HN 0.653 nan 8.310 nan 0.000 0.475 387 R N -1.728 118.705 120.500 -0.112 0.000 2.404 387 R HA 0.284 4.621 4.340 -0.005 0.000 0.237 387 R C 1.121 177.290 176.300 -0.218 0.000 0.907 387 R CA 0.193 56.184 56.100 -0.183 0.000 1.063 387 R CB -0.386 29.778 30.300 -0.228 0.000 1.134 387 R HN 0.388 nan 8.270 nan 0.000 0.529 388 F N 1.299 121.271 119.950 0.037 0.000 2.569 388 F HA 0.296 4.820 4.527 -0.006 0.000 0.295 388 F C 1.044 176.805 175.800 -0.066 0.000 1.115 388 F CA -0.083 57.875 58.000 -0.069 0.000 1.450 388 F CB 0.068 38.914 39.000 -0.255 0.000 1.107 388 F HN -0.148 nan 8.300 nan 0.000 0.563 389 R N 1.451 122.051 120.500 0.166 0.000 2.229 389 R HA 0.447 4.784 4.340 -0.005 0.000 0.328 389 R C -1.045 175.319 176.300 0.106 0.000 1.009 389 R CA -0.445 55.752 56.100 0.163 0.000 0.864 389 R CB 1.216 31.671 30.300 0.257 0.000 1.085 389 R HN -0.029 nan 8.270 nan 0.000 0.453 390 V N 3.549 123.515 119.914 0.086 0.000 2.364 390 V HA 0.471 4.588 4.120 -0.005 0.000 0.272 390 V C -2.134 174.008 176.094 0.080 0.000 1.036 390 V CA -1.992 60.348 62.300 0.067 0.000 0.880 390 V CB 0.714 32.567 31.823 0.050 0.000 0.991 390 V HN 0.678 nan 8.190 nan 0.000 0.460 391 P HA 0.000 nan 4.420 nan 0.000 0.216 391 P CA 0.000 63.153 63.100 0.088 0.000 0.800 391 P CB 0.000 31.740 31.700 0.067 0.000 0.726