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 3iow_1_B DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA MATLEKLMKA FESLKSFQQQ QQQQQQQQQQ DATA SEQUENCE QQQQ 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.568 176.600 -0.054 0.000 0.988 1 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 1 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 2 I N -0.654 119.887 120.570 -0.049 0.000 2.178 2 I HA 0.076 4.245 4.170 -0.000 0.000 0.243 2 I C 2.354 178.434 176.117 -0.062 0.000 1.019 2 I CA 5.470 66.736 61.300 -0.057 0.000 1.294 2 I CB -1.886 36.089 38.000 -0.042 0.000 0.996 2 I HN 2.635 nan 8.210 nan 0.000 0.415 3 E N -2.658 117.513 120.200 -0.049 0.000 3.834 3 E HA 0.108 4.458 4.350 -0.000 0.000 0.323 3 E C 1.215 177.795 176.600 -0.033 0.000 0.535 3 E CA 1.417 57.788 56.400 -0.050 0.000 2.102 3 E CB -2.490 27.168 29.700 -0.069 0.000 1.810 3 E HN 2.748 nan 8.360 nan 0.000 0.579 4 E N 0.393 120.576 120.200 -0.028 0.000 2.603 4 E HA 0.492 4.842 4.350 -0.000 0.000 0.242 4 E C 1.908 178.503 176.600 -0.009 0.000 1.083 4 E CA 1.059 57.448 56.400 -0.018 0.000 0.950 4 E CB -1.290 28.400 29.700 -0.018 0.000 0.952 4 E HN 2.262 nan 8.360 nan 0.000 0.498 5 G N 1.750 110.550 108.800 -0.001 0.000 2.176 5 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.232 5 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.232 5 G C 0.402 175.312 174.900 0.017 0.000 0.986 5 G CA 0.739 45.844 45.100 0.009 0.000 0.643 5 G HN 1.383 nan 8.290 nan 0.000 0.522 6 K N -1.309 119.095 120.400 0.008 0.000 2.373 6 K HA 0.877 5.197 4.320 -0.000 0.000 0.274 6 K C -1.232 175.352 176.600 -0.027 0.000 1.024 6 K CA -1.301 54.991 56.287 0.008 0.000 0.867 6 K CB 1.197 33.699 32.500 0.003 0.000 1.524 6 K HN 0.240 nan 8.250 nan 0.000 0.406 7 L N 1.184 122.370 121.223 -0.061 0.000 2.408 7 L HA 0.608 4.948 4.340 -0.000 0.000 0.268 7 L C -1.346 175.458 176.870 -0.111 0.000 0.986 7 L CA -1.274 53.485 54.840 -0.135 0.000 0.820 7 L CB 2.241 44.127 42.059 -0.289 0.000 1.303 7 L HN 0.493 nan 8.230 nan 0.000 0.411 8 V N 4.876 124.732 119.914 -0.097 0.000 2.483 8 V HA 0.600 4.720 4.120 -0.000 0.000 0.297 8 V C -0.764 175.322 176.094 -0.014 0.000 1.027 8 V CA -0.193 62.087 62.300 -0.033 0.000 0.855 8 V CB 1.768 33.584 31.823 -0.012 0.000 0.995 8 V HN 0.587 nan 8.190 nan 0.000 0.424 9 I N 6.758 127.389 120.570 0.102 0.000 2.433 9 I HA 0.472 4.641 4.170 -0.000 0.000 0.292 9 I C -1.168 175.230 176.117 0.469 0.000 1.001 9 I CA -0.414 61.013 61.300 0.211 0.000 1.119 9 I CB 1.897 40.012 38.000 0.192 0.000 1.289 9 I HN 0.559 nan 8.210 nan 0.000 0.438 10 W N 7.531 128.929 121.300 0.163 0.000 2.429 10 W HA 0.709 5.369 4.660 -0.000 0.000 0.314 10 W C -0.403 176.300 176.519 0.307 0.000 1.062 10 W CA -0.923 56.526 57.345 0.172 0.000 1.211 10 W CB 1.292 30.816 29.460 0.107 0.000 1.305 10 W HN 0.203 nan 8.180 nan 0.000 0.476 11 I N 3.321 124.138 120.570 0.412 0.000 2.841 11 I HA 0.285 4.454 4.170 -0.000 0.000 0.298 11 I C -0.435 175.827 176.117 0.243 0.000 1.304 11 I CA -0.819 60.699 61.300 0.363 0.000 1.019 11 I CB 1.675 39.777 38.000 0.170 0.000 1.282 11 I HN 0.194 nan 8.210 nan 0.000 0.432 12 N N 3.301 122.160 118.700 0.266 0.000 2.479 12 N HA 0.204 4.944 4.740 -0.000 0.000 0.257 12 N C 0.987 176.543 175.510 0.077 0.000 1.232 12 N CA 0.975 54.150 53.050 0.208 0.000 0.920 12 N CB 1.590 40.187 38.487 0.183 0.000 1.105 12 N HN 0.766 nan 8.380 nan 0.000 0.444 13 G N 0.688 109.509 108.800 0.036 0.000 2.625 13 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 13 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 13 G C 0.462 175.388 174.900 0.045 0.000 1.132 13 G CA 0.671 45.718 45.100 -0.087 0.000 0.782 13 G HN 0.788 nan 8.290 nan 0.000 0.538 14 D N -0.403 120.024 120.400 0.045 0.000 2.358 14 D HA 0.113 4.752 4.640 -0.000 0.000 0.224 14 D C 0.678 176.993 176.300 0.024 0.000 1.123 14 D CA -0.009 54.011 54.000 0.032 0.000 0.833 14 D CB 0.290 41.087 40.800 -0.005 0.000 0.946 14 D HN 0.070 nan 8.370 nan 0.000 0.505 15 K N -0.336 120.101 120.400 0.062 0.000 2.303 15 K HA 0.556 4.876 4.320 -0.000 0.000 0.233 15 K C 0.674 177.277 176.600 0.006 0.000 1.046 15 K CA -1.002 55.298 56.287 0.022 0.000 0.895 15 K CB 1.062 33.558 32.500 -0.006 0.000 1.220 15 K HN -0.017 nan 8.250 nan 0.000 0.470 16 G N 1.696 110.457 108.800 -0.065 0.000 3.213 16 G HA2 0.111 4.071 3.960 -0.000 0.000 0.263 16 G HA3 0.111 4.071 3.960 -0.000 0.000 0.263 16 G C 0.712 175.526 174.900 -0.145 0.000 0.829 16 G CA -0.172 44.838 45.100 -0.150 0.000 1.983 16 G HN 0.598 nan 8.290 nan 0.000 0.616 17 Y N -0.378 119.864 120.300 -0.096 0.000 2.373 17 Y HA -0.055 4.494 4.550 -0.000 0.000 0.293 17 Y C 2.059 177.947 175.900 -0.019 0.000 1.129 17 Y CA 1.003 59.063 58.100 -0.066 0.000 1.226 17 Y CB -0.462 37.959 38.460 -0.066 0.000 1.000 17 Y HN 0.341 nan 8.280 nan 0.000 0.549 18 N N 0.794 119.247 118.700 -0.411 0.000 2.142 18 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 18 N C 2.145 177.607 175.510 -0.080 0.000 1.023 18 N CA 1.271 54.201 53.050 -0.200 0.000 0.852 18 N CB -0.519 37.786 38.487 -0.303 0.000 0.998 18 N HN 0.550 nan 8.380 nan 0.000 0.424 19 G N 0.588 109.324 108.800 -0.106 0.000 2.443 19 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 19 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 19 G C 1.411 176.313 174.900 0.003 0.000 1.131 19 G CA 0.252 45.325 45.100 -0.045 0.000 0.775 19 G HN 0.131 nan 8.290 nan 0.000 0.547 20 L N 1.123 122.355 121.223 0.014 0.000 2.109 20 L HA 0.303 4.643 4.340 -0.000 0.000 0.207 20 L C 3.002 179.965 176.870 0.156 0.000 1.086 20 L CA 1.759 56.647 54.840 0.080 0.000 0.760 20 L CB -0.527 41.558 42.059 0.043 0.000 0.910 20 L HN 0.198 nan 8.230 nan 0.000 0.437 21 A N -1.084 121.814 122.820 0.129 0.000 2.019 21 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 21 A C 2.114 179.777 177.584 0.130 0.000 1.164 21 A CA 1.439 53.559 52.037 0.138 0.000 0.644 21 A CB -0.439 18.640 19.000 0.131 0.000 0.805 21 A HN 0.473 nan 8.150 nan 0.000 0.449 22 E N -0.163 120.097 120.200 0.101 0.000 2.152 22 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 22 E C 2.110 178.787 176.600 0.128 0.000 0.983 22 E CA 1.121 57.576 56.400 0.092 0.000 0.818 22 E CB -0.322 29.408 29.700 0.051 0.000 0.758 22 E HN 0.434 nan 8.360 nan 0.000 0.467 23 V N 0.501 120.508 119.914 0.156 0.000 2.548 23 V HA -0.115 4.004 4.120 -0.000 0.000 0.249 23 V C 2.360 178.666 176.094 0.354 0.000 1.055 23 V CA 1.720 64.139 62.300 0.199 0.000 1.065 23 V CB -0.869 31.026 31.823 0.120 0.000 0.681 23 V HN 0.275 nan 8.190 nan 0.000 0.462 24 G N 0.008 109.028 108.800 0.366 0.000 2.422 24 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 24 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 24 G C 1.608 176.663 174.900 0.259 0.000 1.140 24 G CA 1.052 46.353 45.100 0.335 0.000 0.775 24 G HN 0.459 nan 8.290 nan 0.000 0.545 25 K N 0.694 121.211 120.400 0.195 0.000 2.103 25 K HA 0.077 4.397 4.320 -0.000 0.000 0.204 25 K C 2.281 178.975 176.600 0.158 0.000 1.052 25 K CA 1.105 57.481 56.287 0.147 0.000 0.945 25 K CB -0.194 32.370 32.500 0.108 0.000 0.722 25 K HN 0.171 nan 8.250 nan 0.000 0.443 26 K N -0.581 119.937 120.400 0.197 0.000 2.097 26 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 26 K C 1.849 178.610 176.600 0.268 0.000 1.049 26 K CA 1.251 57.672 56.287 0.223 0.000 0.933 26 K CB -0.456 32.195 32.500 0.250 0.000 0.717 26 K HN 0.173 nan 8.250 nan 0.000 0.442 27 F N 1.397 121.381 119.950 0.056 0.000 2.113 27 F HA -0.081 4.446 4.527 -0.000 0.000 0.297 27 F C 2.071 177.818 175.800 -0.088 0.000 1.103 27 F CA 1.731 59.582 58.000 -0.248 0.000 1.248 27 F CB -0.185 38.682 39.000 -0.222 0.000 0.999 27 F HN 0.166 nan 8.300 nan 0.000 0.475 28 E N 0.577 120.823 120.200 0.076 0.000 2.204 28 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 28 E C 2.148 178.720 176.600 -0.047 0.000 0.990 28 E CA 1.334 57.733 56.400 -0.001 0.000 0.821 28 E CB -0.148 29.597 29.700 0.075 0.000 0.750 28 E HN 0.603 nan 8.360 nan 0.000 0.477 29 K N -0.095 120.301 120.400 -0.007 0.000 2.103 29 K HA -0.115 4.204 4.320 -0.000 0.000 0.204 29 K C 0.989 177.574 176.600 -0.026 0.000 1.052 29 K CA 1.563 57.851 56.287 0.003 0.000 0.945 29 K CB 0.140 32.665 32.500 0.043 0.000 0.722 29 K HN -0.012 nan 8.250 nan 0.000 0.443 30 D N 0.321 120.688 120.400 -0.054 0.000 2.346 30 D HA 0.003 4.643 4.640 -0.000 0.000 0.206 30 D C 0.956 177.168 176.300 -0.147 0.000 1.001 30 D CA 0.904 54.871 54.000 -0.054 0.000 0.871 30 D CB 0.751 41.580 40.800 0.048 0.000 0.943 30 D HN 0.326 nan 8.370 nan 0.000 0.518 31 T N -1.872 112.517 114.554 -0.275 0.000 3.058 31 T HA 0.331 4.680 4.350 -0.000 0.000 0.247 31 T C 1.601 176.195 174.700 -0.176 0.000 0.987 31 T CA 0.553 62.465 62.100 -0.313 0.000 1.062 31 T CB 1.422 69.879 68.868 -0.685 0.000 1.048 31 T HN 0.182 nan 8.240 nan 0.000 0.468 32 G N 1.466 110.180 108.800 -0.144 0.000 2.194 32 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.236 32 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.236 32 G C 0.008 174.888 174.900 -0.034 0.000 0.987 32 G CA -0.387 44.675 45.100 -0.064 0.000 0.635 32 G HN 0.436 nan 8.290 nan 0.000 0.520 33 I N 2.784 123.326 120.570 -0.046 0.000 2.379 33 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 33 I C 1.098 177.281 176.117 0.111 0.000 1.063 33 I CA -0.835 60.497 61.300 0.052 0.000 1.351 33 I CB 0.715 38.799 38.000 0.139 0.000 1.410 33 I HN 0.353 nan 8.210 nan 0.000 0.505 34 K N 5.810 126.252 120.400 0.070 0.000 2.350 34 K HA 0.460 4.779 4.320 -0.000 0.000 0.279 34 K C -0.826 175.800 176.600 0.044 0.000 1.027 34 K CA -0.548 55.776 56.287 0.062 0.000 0.969 34 K CB 0.920 33.443 32.500 0.038 0.000 0.954 34 K HN 0.254 nan 8.250 nan 0.000 0.474 35 V N 2.897 122.833 119.914 0.036 0.000 2.384 35 V HA 0.197 4.317 4.120 -0.000 0.000 0.287 35 V C -0.495 175.596 176.094 -0.004 0.000 1.020 35 V CA -0.755 61.517 62.300 -0.046 0.000 0.850 35 V CB 1.633 33.389 31.823 -0.111 0.000 0.987 35 V HN 0.880 nan 8.190 nan 0.000 0.436 36 T N 4.336 118.886 114.554 -0.008 0.000 2.963 36 T HA 0.394 4.743 4.350 -0.000 0.000 0.343 36 T C -0.184 174.566 174.700 0.084 0.000 1.146 36 T CA -0.332 61.795 62.100 0.045 0.000 1.016 36 T CB 1.001 69.898 68.868 0.049 0.000 1.046 36 T HN 0.325 nan 8.240 nan 0.000 0.496 37 V N 5.071 125.052 119.914 0.111 0.000 2.461 37 V HA 0.367 4.486 4.120 -0.000 0.000 0.275 37 V C 0.347 176.538 176.094 0.161 0.000 1.047 37 V CA -0.485 61.914 62.300 0.166 0.000 0.955 37 V CB 0.409 32.347 31.823 0.192 0.000 0.988 37 V HN 0.863 nan 8.190 nan 0.000 0.471 38 E N 3.690 123.985 120.200 0.159 0.000 2.340 38 E HA 0.597 4.946 4.350 -0.000 0.000 0.273 38 E C -1.283 175.237 176.600 -0.133 0.000 0.891 38 E CA -0.940 55.450 56.400 -0.017 0.000 0.757 38 E CB 1.946 31.614 29.700 -0.053 0.000 1.231 38 E HN 0.933 nan 8.360 nan 0.000 0.439 39 H N -0.891 117.970 119.070 -0.348 0.000 2.348 39 H HA 0.403 4.959 4.556 -0.000 0.000 0.232 39 H C -2.614 172.482 175.328 -0.387 0.000 1.419 39 H CA -2.125 53.697 56.048 -0.377 0.000 1.416 39 H CB 0.056 29.529 29.762 -0.483 0.000 1.510 39 H HN 0.259 nan 8.280 nan 0.000 0.507 40 P HA 0.063 nan 4.420 nan 0.000 0.277 40 P C -0.084 177.012 177.300 -0.339 0.000 1.240 40 P CA -0.399 62.373 63.100 -0.547 0.000 0.798 40 P CB 1.357 32.550 31.700 -0.846 0.000 0.979 41 D N 1.956 122.217 120.400 -0.233 0.000 2.450 41 D HA -0.036 4.603 4.640 -0.000 0.000 0.247 41 D C 0.207 176.432 176.300 -0.125 0.000 1.162 41 D CA 0.448 54.371 54.000 -0.129 0.000 0.879 41 D CB 0.272 41.012 40.800 -0.099 0.000 1.163 41 D HN 0.204 nan 8.370 nan 0.000 0.472 42 K N 1.770 122.126 120.400 -0.074 0.000 3.096 42 K HA -0.204 4.116 4.320 -0.000 0.000 0.266 42 K C 1.191 177.721 176.600 -0.118 0.000 1.043 42 K CA 0.366 56.607 56.287 -0.077 0.000 0.758 42 K CB -1.868 30.598 32.500 -0.058 0.000 1.260 42 K HN 0.502 nan 8.250 nan 0.000 0.481 43 L N -0.682 120.449 121.223 -0.153 0.000 2.191 43 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 43 L C 1.988 178.848 176.870 -0.017 0.000 1.103 43 L CA 1.998 56.768 54.840 -0.117 0.000 0.769 43 L CB -0.428 41.537 42.059 -0.156 0.000 0.908 43 L HN 0.360 nan 8.230 nan 0.000 0.438 44 E N 0.457 120.455 120.200 -0.336 0.000 2.482 44 E HA -0.195 4.154 4.350 -0.000 0.000 0.196 44 E C 1.225 177.780 176.600 -0.075 0.000 1.047 44 E CA 1.065 57.227 56.400 -0.396 0.000 0.869 44 E CB -0.028 28.922 29.700 -1.250 0.000 0.836 44 E HN 0.677 nan 8.360 nan 0.000 0.520 45 E N 0.792 120.961 120.200 -0.052 0.000 2.290 45 E HA 0.144 4.494 4.350 -0.000 0.000 0.197 45 E C 1.673 178.303 176.600 0.049 0.000 0.948 45 E CA 0.488 56.893 56.400 0.008 0.000 0.895 45 E CB 0.244 29.930 29.700 -0.024 0.000 0.865 45 E HN 0.146 nan 8.360 nan 0.000 0.486 46 K N -0.259 120.192 120.400 0.085 0.000 2.155 46 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 46 K C 1.764 178.482 176.600 0.197 0.000 1.052 46 K CA 0.694 57.072 56.287 0.151 0.000 0.948 46 K CB -0.124 32.494 32.500 0.196 0.000 0.728 46 K HN 0.076 nan 8.250 nan 0.000 0.448 47 F N 2.487 122.485 119.950 0.080 0.000 2.095 47 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 47 F C -1.230 174.414 175.800 -0.261 0.000 1.104 47 F CA 1.015 58.933 58.000 -0.137 0.000 1.232 47 F CB -0.849 37.976 39.000 -0.293 0.000 0.987 47 F HN -0.014 nan 8.300 nan 0.000 0.475 48 P HA -0.162 nan 4.420 nan 0.000 0.217 48 P C 1.322 178.471 177.300 -0.252 0.000 1.150 48 P CA 1.682 64.619 63.100 -0.272 0.000 0.832 48 P CB -0.039 31.660 31.700 -0.002 0.000 0.787 49 Q N -0.603 119.103 119.800 -0.157 0.000 2.046 49 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 49 Q C 2.075 177.975 176.000 -0.166 0.000 0.975 49 Q CA 1.639 57.369 55.803 -0.122 0.000 0.836 49 Q CB -0.966 27.739 28.738 -0.056 0.000 0.896 49 Q HN 0.202 nan 8.270 nan 0.000 0.428 50 V N -2.901 116.893 119.914 -0.200 0.000 2.788 50 V HA 0.131 4.251 4.120 -0.000 0.000 0.251 50 V C 1.935 177.821 176.094 -0.347 0.000 1.068 50 V CA 1.240 63.407 62.300 -0.220 0.000 1.090 50 V CB -0.892 30.835 31.823 -0.161 0.000 0.710 50 V HN 0.237 nan 8.190 nan 0.000 0.467 51 A N 0.676 123.157 122.820 -0.565 0.000 2.014 51 A HA 0.331 4.651 4.320 -0.000 0.000 0.218 51 A C 2.333 179.666 177.584 -0.419 0.000 1.163 51 A CA 1.514 53.156 52.037 -0.658 0.000 0.652 51 A CB -0.683 17.553 19.000 -1.273 0.000 0.808 51 A HN 0.870 nan 8.150 nan 0.000 0.449 52 A N -0.310 122.310 122.820 -0.334 0.000 2.119 52 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 52 A C 2.047 179.532 177.584 -0.164 0.000 1.153 52 A CA 1.880 53.787 52.037 -0.216 0.000 0.692 52 A CB -0.738 18.161 19.000 -0.168 0.000 0.799 52 A HN 0.715 nan 8.150 nan 0.000 0.458 53 T N -5.459 108.993 114.554 -0.169 0.000 3.092 53 T HA 0.440 4.790 4.350 -0.000 0.000 0.258 53 T C 1.178 175.799 174.700 -0.131 0.000 1.031 53 T CA 0.982 63.005 62.100 -0.128 0.000 0.925 53 T CB 0.210 69.014 68.868 -0.106 0.000 1.036 53 T HN 1.577 nan 8.240 nan 0.000 0.544 54 G N 0.852 109.553 108.800 -0.166 0.000 2.141 54 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.242 54 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.242 54 G C -0.311 174.490 174.900 -0.165 0.000 0.982 54 G CA 0.112 45.119 45.100 -0.155 0.000 0.662 54 G HN 0.578 nan 8.290 nan 0.000 0.527 55 D N -0.212 120.072 120.400 -0.194 0.000 2.588 55 D HA 0.679 5.319 4.640 -0.000 0.000 0.268 55 D C 1.009 177.138 176.300 -0.284 0.000 1.176 55 D CA 0.954 54.839 54.000 -0.191 0.000 1.080 55 D CB 1.058 41.774 40.800 -0.140 0.000 1.186 55 D HN 1.354 nan 8.370 nan 0.000 0.619 56 G N 0.143 108.764 108.800 -0.299 0.000 2.660 56 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.247 56 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.247 56 G C -2.780 171.803 174.900 -0.528 0.000 1.328 56 G CA -0.778 44.004 45.100 -0.530 0.000 0.884 56 G HN 0.426 nan 8.290 nan 0.000 0.531 57 P HA 0.317 nan 4.420 nan 0.000 0.276 57 P C 0.145 177.275 177.300 -0.283 0.000 1.252 57 P CA -0.200 62.562 63.100 -0.564 0.000 0.802 57 P CB 0.940 32.136 31.700 -0.840 0.000 1.035 58 D N -0.081 120.204 120.400 -0.190 0.000 2.097 58 D HA -0.057 4.583 4.640 -0.000 0.000 0.197 58 D C 0.893 177.125 176.300 -0.113 0.000 0.984 58 D CA 1.691 55.613 54.000 -0.131 0.000 0.826 58 D CB 0.225 40.953 40.800 -0.119 0.000 0.973 58 D HN 0.383 nan 8.370 nan 0.000 0.460 59 I N -1.320 119.181 120.570 -0.115 0.000 2.647 59 I HA 0.479 4.649 4.170 -0.000 0.000 0.295 59 I C -1.477 174.587 176.117 -0.089 0.000 1.078 59 I CA -0.928 60.309 61.300 -0.105 0.000 1.048 59 I CB 2.637 40.590 38.000 -0.078 0.000 1.239 59 I HN -0.261 nan 8.210 nan 0.000 0.421 60 I N 6.357 126.825 120.570 -0.170 0.000 2.509 60 I HA 0.581 4.751 4.170 -0.000 0.000 0.293 60 I C -1.758 174.391 176.117 0.054 0.000 1.020 60 I CA -0.284 60.966 61.300 -0.083 0.000 1.088 60 I CB 1.536 39.193 38.000 -0.572 0.000 1.267 60 I HN 0.555 nan 8.210 nan 0.000 0.430 61 F N 7.532 127.679 119.950 0.328 0.000 2.402 61 F HA 0.545 5.072 4.527 0.000 0.000 0.355 61 F C -0.563 175.521 175.800 0.475 0.000 1.123 61 F CA -0.089 58.122 58.000 0.351 0.000 1.021 61 F CB 1.115 40.268 39.000 0.255 0.000 1.160 61 F HN 0.395 nan 8.300 nan 0.000 0.451 62 W N 2.000 123.431 121.300 0.219 0.000 2.989 62 W HA 0.612 5.271 4.660 -0.000 0.000 0.344 62 W C -1.279 175.141 176.519 -0.166 0.000 1.233 62 W CA -1.353 56.037 57.345 0.075 0.000 1.187 62 W CB 1.619 31.196 29.460 0.195 0.000 1.443 62 W HN 0.533 nan 8.180 nan 0.000 0.573 63 A N 1.393 123.992 122.820 -0.369 0.000 2.540 63 A HA 0.005 4.325 4.320 -0.000 0.000 0.239 63 A C 0.995 178.473 177.584 -0.176 0.000 1.061 63 A CA 1.175 53.084 52.037 -0.214 0.000 0.758 63 A CB -0.194 18.651 19.000 -0.260 0.000 0.991 63 A HN 0.825 nan 8.150 nan 0.000 0.502 64 H N 1.199 120.115 119.070 -0.257 0.000 2.457 64 H HA -0.182 4.374 4.556 -0.001 0.000 0.297 64 H C 1.200 176.478 175.328 -0.083 0.000 1.092 64 H CA 1.540 57.421 56.048 -0.279 0.000 1.309 64 H CB -0.015 29.681 29.762 -0.110 0.000 1.382 64 H HN 0.717 nan 8.280 nan 0.000 0.535 65 D N 0.635 120.605 120.400 -0.717 0.000 2.219 65 D HA -0.178 4.462 4.640 -0.000 0.000 0.205 65 D C 2.083 178.277 176.300 -0.177 0.000 0.970 65 D CA 0.737 54.451 54.000 -0.478 0.000 0.851 65 D CB -0.329 40.218 40.800 -0.420 0.000 0.943 65 D HN 0.293 nan 8.370 nan 0.000 0.488 66 R N -0.792 119.652 120.500 -0.093 0.000 2.236 66 R HA 0.095 4.435 4.340 -0.000 0.000 0.208 66 R C 1.574 177.670 176.300 -0.341 0.000 1.036 66 R CA 0.266 56.265 56.100 -0.168 0.000 1.001 66 R CB -0.663 29.611 30.300 -0.044 0.000 0.896 66 R HN 0.088 nan 8.270 nan 0.000 0.464 67 F N -0.903 118.862 119.950 -0.307 0.000 2.456 67 F HA 0.222 4.748 4.527 -0.000 0.000 0.298 67 F C 2.186 177.881 175.800 -0.176 0.000 1.104 67 F CA 0.824 58.722 58.000 -0.170 0.000 1.435 67 F CB -0.974 38.074 39.000 0.080 0.000 1.078 67 F HN 0.145 nan 8.300 nan 0.000 0.546 68 G N 0.060 108.876 108.800 0.027 0.000 2.446 68 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 68 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 68 G C 2.091 176.796 174.900 -0.325 0.000 1.168 68 G CA 0.934 45.990 45.100 -0.074 0.000 0.771 68 G HN 0.475 nan 8.290 nan 0.000 0.551 69 G N -0.542 108.133 108.800 -0.208 0.000 2.422 69 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 69 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 69 G C 1.609 176.466 174.900 -0.072 0.000 1.140 69 G CA 0.946 45.952 45.100 -0.156 0.000 0.775 69 G HN 0.395 nan 8.290 nan 0.000 0.545 70 Y N 1.100 121.340 120.300 -0.100 0.000 2.184 70 Y HA 0.154 4.703 4.550 -0.001 0.000 0.290 70 Y C 3.063 178.851 175.900 -0.187 0.000 1.129 70 Y CA 0.075 58.118 58.100 -0.096 0.000 1.144 70 Y CB -1.095 37.323 38.460 -0.070 0.000 0.995 70 Y HN 0.241 nan 8.280 nan 0.000 0.513 71 A N -0.294 122.440 122.820 -0.142 0.000 2.015 71 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 71 A C 2.252 179.621 177.584 -0.358 0.000 1.163 71 A CA 1.448 53.325 52.037 -0.267 0.000 0.646 71 A CB -0.685 18.115 19.000 -0.334 0.000 0.806 71 A HN 0.526 nan 8.150 nan 0.000 0.448 72 Q N -0.088 119.403 119.800 -0.514 0.000 2.119 72 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 72 Q C 1.488 177.449 176.000 -0.066 0.000 0.972 72 Q CA 1.644 57.313 55.803 -0.224 0.000 0.847 72 Q CB -0.057 28.600 28.738 -0.135 0.000 0.903 72 Q HN 0.585 nan 8.270 nan 0.000 0.433 73 S N -0.695 114.966 115.700 -0.065 0.000 2.603 73 S HA 0.155 4.625 4.470 -0.000 0.000 0.220 73 S C 0.805 175.374 174.600 -0.052 0.000 0.967 73 S CA 0.517 58.695 58.200 -0.037 0.000 0.920 73 S CB 0.501 63.688 63.200 -0.022 0.000 0.773 73 S HN 0.659 nan 8.310 nan 0.000 0.529 74 G N 1.595 110.362 108.800 -0.055 0.000 2.246 74 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.273 74 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.273 74 G C 0.340 175.196 174.900 -0.074 0.000 1.055 74 G CA 0.262 45.332 45.100 -0.050 0.000 0.851 74 G HN 0.537 nan 8.290 nan 0.000 0.500 75 L N -1.388 119.787 121.223 -0.082 0.000 2.640 75 L HA 0.439 4.778 4.340 -0.000 0.000 0.230 75 L C 1.094 177.923 176.870 -0.069 0.000 1.123 75 L CA 0.147 54.906 54.840 -0.134 0.000 0.900 75 L CB 0.174 42.092 42.059 -0.234 0.000 1.146 75 L HN 0.229 nan 8.230 nan 0.000 0.484 76 L N 0.147 121.340 121.223 -0.051 0.000 2.346 76 L HA 0.661 5.001 4.340 -0.000 0.000 0.276 76 L C 0.078 176.929 176.870 -0.032 0.000 1.006 76 L CA -0.659 54.148 54.840 -0.056 0.000 0.817 76 L CB 1.951 43.949 42.059 -0.102 0.000 1.272 76 L HN -0.109 nan 8.230 nan 0.000 0.421 77 A N 2.067 124.872 122.820 -0.025 0.000 2.363 77 A HA 0.224 4.544 4.320 -0.000 0.000 0.270 77 A C 0.059 177.646 177.584 0.005 0.000 1.121 77 A CA -0.311 51.721 52.037 -0.009 0.000 0.800 77 A CB 0.378 19.375 19.000 -0.006 0.000 1.052 77 A HN 0.789 nan 8.150 nan 0.000 0.493 78 E N 2.135 122.342 120.200 0.013 0.000 2.415 78 E HA 0.241 4.591 4.350 -0.000 0.000 0.260 78 E C -0.274 176.330 176.600 0.006 0.000 1.016 78 E CA -0.143 56.268 56.400 0.019 0.000 0.924 78 E CB 0.108 29.822 29.700 0.024 0.000 0.961 78 E HN 0.554 nan 8.360 nan 0.000 0.459 79 I N 1.590 122.150 120.570 -0.018 0.000 2.577 79 I HA 0.402 4.571 4.170 -0.000 0.000 0.300 79 I C -0.240 175.854 176.117 -0.038 0.000 0.990 79 I CA -0.630 60.643 61.300 -0.045 0.000 1.283 79 I CB 1.906 39.778 38.000 -0.213 0.000 1.411 79 I HN 0.307 nan 8.210 nan 0.000 0.515 80 T N 1.984 116.537 114.554 -0.002 0.000 3.226 80 T HA 0.486 4.836 4.350 -0.000 0.000 0.378 80 T C -2.484 172.235 174.700 0.032 0.000 1.380 80 T CA -1.195 60.902 62.100 -0.005 0.000 1.396 80 T CB 0.268 69.137 68.868 0.002 0.000 1.044 80 T HN 0.563 nan 8.240 nan 0.000 0.586 81 P HA 0.333 nan 4.420 nan 0.000 0.285 81 P C -0.351 176.990 177.300 0.068 0.000 1.259 81 P CA -0.300 62.883 63.100 0.138 0.000 0.794 81 P CB 1.100 33.059 31.700 0.430 0.000 0.940 82 D N 2.072 122.531 120.400 0.098 0.000 2.371 82 D HA -0.003 4.636 4.640 -0.000 0.000 0.242 82 D C 1.011 177.348 176.300 0.063 0.000 1.218 82 D CA -0.405 53.630 54.000 0.058 0.000 0.945 82 D CB 1.156 41.992 40.800 0.061 0.000 1.137 82 D HN 0.190 nan 8.370 nan 0.000 0.464 83 K N 0.639 121.048 120.400 0.015 0.000 2.173 83 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 83 K C 1.943 178.568 176.600 0.041 0.000 1.046 83 K CA 1.899 58.185 56.287 -0.002 0.000 0.929 83 K CB -0.541 31.955 32.500 -0.007 0.000 0.720 83 K HN 0.511 nan 8.250 nan 0.000 0.453 84 A N -0.314 122.554 122.820 0.079 0.000 1.930 84 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 84 A C 2.054 179.730 177.584 0.153 0.000 1.175 84 A CA 1.352 53.448 52.037 0.098 0.000 0.627 84 A CB -0.678 18.381 19.000 0.098 0.000 0.815 84 A HN 0.501 nan 8.150 nan 0.000 0.443 85 F N 0.303 120.297 119.950 0.073 0.000 2.335 85 F HA -0.034 4.493 4.527 -0.001 0.000 0.296 85 F C 2.392 178.330 175.800 0.230 0.000 1.091 85 F CA 1.593 59.676 58.000 0.138 0.000 1.399 85 F CB -0.205 38.894 39.000 0.165 0.000 1.067 85 F HN 0.382 nan 8.300 nan 0.000 0.520 86 Q N 0.137 120.044 119.800 0.179 0.000 2.124 86 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 86 Q C 1.007 177.130 176.000 0.204 0.000 0.977 86 Q CA 2.069 57.940 55.803 0.114 0.000 0.850 86 Q CB -0.286 28.279 28.738 -0.289 0.000 0.901 86 Q HN 0.308 nan 8.270 nan 0.000 0.429 87 D N 0.025 120.463 120.400 0.064 0.000 2.363 87 D HA -0.044 4.596 4.640 -0.000 0.000 0.226 87 D C 1.148 177.428 176.300 -0.034 0.000 1.020 87 D CA 0.449 54.469 54.000 0.033 0.000 0.892 87 D CB 0.205 41.013 40.800 0.013 0.000 0.900 87 D HN 0.174 nan 8.370 nan 0.000 0.531 88 K N -0.136 120.207 120.400 -0.095 0.000 2.366 88 K HA 0.099 4.419 4.320 -0.000 0.000 0.198 88 K C 0.806 177.279 176.600 -0.211 0.000 1.044 88 K CA 0.309 56.491 56.287 -0.176 0.000 0.973 88 K CB 0.697 33.030 32.500 -0.277 0.000 0.767 88 K HN 0.228 nan 8.250 nan 0.000 0.475 89 L N -0.101 121.028 121.223 -0.158 0.000 2.313 89 L HA 0.349 4.689 4.340 -0.000 0.000 0.268 89 L C -0.142 176.624 176.870 -0.172 0.000 1.010 89 L CA -1.384 53.333 54.840 -0.206 0.000 0.814 89 L CB 0.417 42.277 42.059 -0.333 0.000 1.304 89 L HN -0.115 nan 8.230 nan 0.000 0.441 90 Y N 1.082 121.277 120.300 -0.174 0.000 2.544 90 Y HA 0.045 4.595 4.550 -0.000 0.000 0.330 90 Y C -1.439 174.377 175.900 -0.141 0.000 1.136 90 Y CA -1.004 57.022 58.100 -0.123 0.000 1.417 90 Y CB 0.165 38.517 38.460 -0.179 0.000 1.229 90 Y HN 0.412 nan 8.280 nan 0.000 0.532 91 P HA -0.259 nan 4.420 nan 0.000 0.216 91 P C 1.390 178.852 177.300 0.269 0.000 1.150 91 P CA 1.632 64.917 63.100 0.308 0.000 0.843 91 P CB -0.123 31.738 31.700 0.269 0.000 0.787 92 F N -0.306 119.755 119.950 0.185 0.000 2.365 92 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 92 F C 1.833 177.668 175.800 0.059 0.000 1.090 92 F CA 1.489 59.558 58.000 0.114 0.000 1.408 92 F CB -2.147 36.895 39.000 0.071 0.000 1.060 92 F HN -0.109 nan 8.300 nan 0.000 0.534 93 T N -3.498 110.592 114.554 -0.772 0.000 2.951 93 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 93 T C 1.554 176.055 174.700 -0.331 0.000 1.073 93 T CA 0.971 62.673 62.100 -0.664 0.000 1.134 93 T CB -1.181 67.211 68.868 -0.793 0.000 0.884 93 T HN 0.576 nan 8.240 nan 0.000 0.479 94 W N 2.025 123.265 121.300 -0.100 0.000 2.402 94 W HA 0.047 4.707 4.660 0.000 0.000 0.286 94 W C 1.774 178.316 176.519 0.037 0.000 1.221 94 W CA 0.289 57.630 57.345 -0.006 0.000 1.257 94 W CB -0.080 29.393 29.460 0.022 0.000 1.120 94 W HN 0.224 nan 8.180 nan 0.000 0.551 95 D N -0.216 120.341 120.400 0.260 0.000 2.350 95 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 95 D C 1.971 178.341 176.300 0.117 0.000 0.968 95 D CA 1.185 55.312 54.000 0.212 0.000 0.894 95 D CB -0.401 40.495 40.800 0.161 0.000 0.909 95 D HN 0.159 nan 8.370 nan 0.000 0.520 96 A N 0.245 123.089 122.820 0.041 0.000 2.178 96 A HA 0.052 4.371 4.320 -0.000 0.000 0.211 96 A C 1.596 179.285 177.584 0.175 0.000 1.157 96 A CA 0.376 52.386 52.037 -0.045 0.000 0.780 96 A CB 0.164 18.858 19.000 -0.509 0.000 0.828 96 A HN 0.173 nan 8.150 nan 0.000 0.476 97 V N -3.236 116.801 119.914 0.205 0.000 2.915 97 V HA 0.473 4.593 4.120 -0.000 0.000 0.364 97 V C 0.019 176.303 176.094 0.317 0.000 1.354 97 V CA -0.556 61.912 62.300 0.280 0.000 1.213 97 V CB -0.718 31.247 31.823 0.235 0.000 1.268 97 V HN 0.306 nan 8.190 nan 0.000 0.557 98 R N 0.883 121.577 120.500 0.323 0.000 2.337 98 R HA 0.493 4.833 4.340 -0.000 0.000 0.319 98 R C -1.645 174.854 176.300 0.331 0.000 0.954 98 R CA -0.615 55.661 56.100 0.293 0.000 0.840 98 R CB 1.718 32.171 30.300 0.255 0.000 1.164 98 R HN 0.517 nan 8.270 nan 0.000 0.472 99 Y N 4.505 124.916 120.300 0.186 0.000 2.417 99 Y HA 0.148 4.698 4.550 -0.001 0.000 0.336 99 Y C -0.441 175.528 175.900 0.116 0.000 0.961 99 Y CA -0.785 57.415 58.100 0.166 0.000 1.215 99 Y CB 0.647 39.198 38.460 0.152 0.000 1.120 99 Y HN 0.662 nan 8.280 nan 0.000 0.499 100 N N 4.481 123.039 118.700 -0.236 0.000 2.667 100 N HA -0.213 4.527 4.740 -0.000 0.000 0.263 100 N C 0.958 176.448 175.510 -0.033 0.000 1.038 100 N CA 1.548 54.495 53.050 -0.170 0.000 0.749 100 N CB -1.123 37.229 38.487 -0.225 0.000 0.892 100 N HN 1.191 nan 8.380 nan 0.000 0.546 101 G N -1.599 107.194 108.800 -0.012 0.000 2.417 101 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.233 101 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.233 101 G C 0.222 175.147 174.900 0.041 0.000 1.103 101 G CA 0.805 45.907 45.100 0.002 0.000 0.647 101 G HN 0.521 nan 8.290 nan 0.000 0.512 102 K N 0.567 121.014 120.400 0.077 0.000 2.249 102 K HA 0.646 4.966 4.320 -0.000 0.000 0.280 102 K C 0.112 176.787 176.600 0.126 0.000 1.033 102 K CA -0.379 55.962 56.287 0.091 0.000 0.946 102 K CB 0.972 33.537 32.500 0.108 0.000 1.005 102 K HN 0.195 nan 8.250 nan 0.000 0.469 103 L N 4.681 125.956 121.223 0.088 0.000 2.313 103 L HA 0.181 4.521 4.340 -0.000 0.000 0.282 103 L C 0.624 177.556 176.870 0.104 0.000 1.092 103 L CA 0.345 55.252 54.840 0.112 0.000 0.831 103 L CB 0.560 42.646 42.059 0.044 0.000 1.159 103 L HN 0.651 nan 8.230 nan 0.000 0.442 104 I N 0.437 121.103 120.570 0.161 0.000 4.154 104 I HA 0.721 4.891 4.170 -0.000 0.000 0.334 104 I C 0.505 176.712 176.117 0.149 0.000 1.371 104 I CA 0.032 61.416 61.300 0.141 0.000 1.110 104 I CB 0.046 38.151 38.000 0.176 0.000 1.085 104 I HN 0.425 nan 8.210 nan 0.000 0.398 105 A N -0.411 122.503 122.820 0.157 0.000 2.586 105 A HA 0.733 5.053 4.320 -0.000 0.000 0.290 105 A C -2.021 175.587 177.584 0.039 0.000 1.086 105 A CA -0.508 51.627 52.037 0.163 0.000 0.665 105 A CB 0.459 19.736 19.000 0.462 0.000 1.279 105 A HN 0.076 nan 8.150 nan 0.000 0.423 106 Y N 0.564 120.987 120.300 0.206 0.000 2.326 106 Y HA 0.483 5.033 4.550 -0.000 0.000 0.337 106 Y C -2.214 173.670 175.900 -0.026 0.000 1.023 106 Y CA -2.054 56.124 58.100 0.130 0.000 1.143 106 Y CB 1.133 39.703 38.460 0.185 0.000 1.183 106 Y HN 0.362 nan 8.280 nan 0.000 0.485 107 P HA 0.094 nan 4.420 nan 0.000 0.276 107 P C -0.093 177.177 177.300 -0.049 0.000 1.230 107 P CA 0.180 63.174 63.100 -0.177 0.000 0.776 107 P CB 1.106 32.520 31.700 -0.476 0.000 0.888 108 I N 1.259 121.843 120.570 0.024 0.000 3.523 108 I HA 0.329 4.499 4.170 -0.000 0.000 0.244 108 I C 0.924 177.073 176.117 0.054 0.000 1.110 108 I CA 0.341 61.698 61.300 0.094 0.000 1.517 108 I CB -1.191 36.944 38.000 0.225 0.000 1.505 108 I HN 0.248 nan 8.210 nan 0.000 0.460 109 A N 1.049 123.895 122.820 0.044 0.000 2.413 109 A HA 0.731 5.051 4.320 -0.000 0.000 0.307 109 A C -0.923 176.673 177.584 0.019 0.000 1.087 109 A CA -0.367 51.694 52.037 0.040 0.000 0.750 109 A CB 1.904 20.937 19.000 0.055 0.000 1.296 109 A HN -0.051 nan 8.150 nan 0.000 0.423 110 V N 0.907 120.843 119.914 0.036 0.000 2.581 110 V HA 0.631 4.751 4.120 -0.000 0.000 0.303 110 V C -0.109 176.042 176.094 0.095 0.000 1.041 110 V CA -0.455 61.885 62.300 0.066 0.000 0.907 110 V CB 1.546 33.429 31.823 0.099 0.000 0.994 110 V HN 0.965 nan 8.190 nan 0.000 0.442 111 E N 2.011 122.293 120.200 0.136 0.000 2.275 111 E HA 0.776 5.125 4.350 -0.000 0.000 0.270 111 E C -1.076 175.668 176.600 0.240 0.000 0.882 111 E CA -0.451 56.052 56.400 0.172 0.000 0.758 111 E CB 2.120 31.937 29.700 0.196 0.000 1.195 111 E HN 0.966 nan 8.360 nan 0.000 0.419 112 A N 3.761 126.708 122.820 0.213 0.000 2.606 112 A HA 0.554 4.874 4.320 -0.000 0.000 0.293 112 A C -1.334 176.356 177.584 0.177 0.000 1.082 112 A CA -0.745 51.429 52.037 0.228 0.000 0.685 112 A CB 0.877 19.966 19.000 0.149 0.000 1.284 112 A HN 0.598 nan 8.150 nan 0.000 0.408 113 L N 1.096 122.432 121.223 0.189 0.000 2.452 113 L HA 0.493 4.833 4.340 -0.000 0.000 0.267 113 L C 0.470 177.379 176.870 0.065 0.000 1.188 113 L CA 0.188 55.111 54.840 0.138 0.000 0.821 113 L CB 1.104 43.293 42.059 0.217 0.000 1.102 113 L HN 0.695 nan 8.230 nan 0.000 0.470 114 S N 1.524 117.228 115.700 0.006 0.000 2.588 114 S HA 0.478 4.948 4.470 -0.000 0.000 0.275 114 S C -0.841 173.718 174.600 -0.069 0.000 1.130 114 S CA -0.704 57.500 58.200 0.007 0.000 0.855 114 S CB 1.910 65.155 63.200 0.075 0.000 1.116 114 S HN 0.416 nan 8.310 nan 0.000 0.472 115 L N 2.673 123.861 121.223 -0.059 0.000 2.315 115 L HA 0.487 4.827 4.340 -0.000 0.000 0.283 115 L C -1.386 175.468 176.870 -0.025 0.000 1.089 115 L CA -0.195 54.580 54.840 -0.108 0.000 0.833 115 L CB 0.041 42.026 42.059 -0.122 0.000 1.170 115 L HN 0.584 nan 8.230 nan 0.000 0.442 116 I N 5.933 126.414 120.570 -0.148 0.000 2.362 116 I HA 0.294 4.463 4.170 -0.000 0.000 0.289 116 I C -0.830 175.260 176.117 -0.045 0.000 0.994 116 I CA -0.692 60.532 61.300 -0.127 0.000 1.158 116 I CB 1.264 39.058 38.000 -0.344 0.000 1.315 116 I HN 0.432 nan 8.210 nan 0.000 0.451 117 Y N 3.926 124.305 120.300 0.131 0.000 2.536 117 Y HA 0.547 5.096 4.550 -0.000 0.000 0.347 117 Y C -0.651 175.464 175.900 0.358 0.000 1.000 117 Y CA -1.524 56.735 58.100 0.265 0.000 1.051 117 Y CB 0.928 39.433 38.460 0.074 0.000 1.259 117 Y HN 0.436 nan 8.280 nan 0.000 0.468 118 N N 3.040 121.925 118.700 0.308 0.000 2.439 118 N HA 0.072 4.812 4.740 -0.000 0.000 0.243 118 N C 0.452 176.015 175.510 0.089 0.000 1.088 118 N CA -0.317 52.744 53.050 0.018 0.000 0.940 118 N CB 0.978 39.361 38.487 -0.172 0.000 1.180 118 N HN 0.961 nan 8.380 nan 0.000 0.505 119 K N 1.932 122.340 120.400 0.013 0.000 2.442 119 K HA -0.035 4.285 4.320 -0.000 0.000 0.198 119 K C 0.093 176.721 176.600 0.048 0.000 1.042 119 K CA 0.925 57.273 56.287 0.101 0.000 0.958 119 K CB 0.361 32.878 32.500 0.028 0.000 0.766 119 K HN 0.240 nan 8.250 nan 0.000 0.474 120 D N 0.999 121.399 120.400 -0.001 0.000 2.234 120 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 120 D C 1.776 178.073 176.300 -0.006 0.000 0.962 120 D CA 0.817 54.808 54.000 -0.015 0.000 0.855 120 D CB 0.217 40.993 40.800 -0.040 0.000 0.951 120 D HN 0.279 nan 8.370 nan 0.000 0.500 121 L N -0.709 120.516 121.223 0.004 0.000 2.357 121 L HA 0.145 4.485 4.340 -0.000 0.000 0.211 121 L C 0.252 177.140 176.870 0.030 0.000 1.075 121 L CA 0.128 54.973 54.840 0.008 0.000 0.830 121 L CB 0.592 42.650 42.059 -0.002 0.000 0.996 121 L HN -0.076 nan 8.230 nan 0.000 0.467 122 L N 1.058 122.323 121.223 0.069 0.000 2.415 122 L HA 0.409 4.749 4.340 -0.000 0.000 0.268 122 L C -1.850 175.072 176.870 0.087 0.000 0.984 122 L CA -1.974 52.906 54.840 0.066 0.000 0.853 122 L CB 1.405 43.510 42.059 0.077 0.000 1.215 122 L HN -0.280 nan 8.230 nan 0.000 0.419 123 P HA -0.107 nan 4.420 nan 0.000 0.214 123 P C -0.170 177.132 177.300 0.004 0.000 1.162 123 P CA 0.932 64.051 63.100 0.031 0.000 0.879 123 P CB 0.340 32.041 31.700 0.001 0.000 0.786 124 N N -0.191 118.464 118.700 -0.074 0.000 2.372 124 N HA 0.258 4.998 4.740 -0.000 0.000 0.285 124 N C -2.660 172.684 175.510 -0.277 0.000 1.008 124 N CA -1.812 51.138 53.050 -0.167 0.000 0.880 124 N CB 2.301 40.719 38.487 -0.115 0.000 1.239 124 N HN -0.078 nan 8.380 nan 0.000 0.484 125 P HA 0.266 nan 4.420 nan 0.000 0.279 125 P C -2.728 174.382 177.300 -0.317 0.000 1.239 125 P CA -1.061 61.717 63.100 -0.537 0.000 0.789 125 P CB 0.231 31.374 31.700 -0.929 0.000 0.933 126 P HA 0.099 nan 4.420 nan 0.000 0.268 126 P C 0.392 177.567 177.300 -0.207 0.000 1.204 126 P CA -0.016 62.968 63.100 -0.193 0.000 0.768 126 P CB 0.722 32.316 31.700 -0.177 0.000 0.842 127 K N 0.656 120.964 120.400 -0.153 0.000 2.444 127 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 127 K C 0.430 176.962 176.600 -0.114 0.000 1.024 127 K CA 0.544 56.752 56.287 -0.132 0.000 1.077 127 K CB 0.154 32.597 32.500 -0.094 0.000 0.833 127 K HN 0.401 nan 8.250 nan 0.000 0.517 128 T N -0.511 113.974 114.554 -0.115 0.000 2.881 128 T HA 0.201 4.551 4.350 -0.000 0.000 0.290 128 T C 0.178 174.858 174.700 -0.032 0.000 1.000 128 T CA -0.661 61.414 62.100 -0.042 0.000 0.978 128 T CB 0.857 69.720 68.868 -0.008 0.000 0.997 128 T HN 0.144 nan 8.240 nan 0.000 0.443 129 W N 1.645 122.933 121.300 -0.020 0.000 2.358 129 W HA -0.058 4.602 4.660 -0.000 0.000 0.303 129 W C 2.044 178.603 176.519 0.067 0.000 1.208 129 W CA 0.821 58.157 57.345 -0.015 0.000 1.274 129 W CB 0.053 29.408 29.460 -0.175 0.000 1.138 129 W HN 0.766 nan 8.180 nan 0.000 0.515 130 E N -0.006 120.334 120.200 0.232 0.000 2.284 130 E HA -0.272 4.078 4.350 -0.000 0.000 0.200 130 E C 1.678 178.440 176.600 0.269 0.000 1.008 130 E CA 1.853 58.418 56.400 0.275 0.000 0.829 130 E CB -0.331 29.451 29.700 0.137 0.000 0.744 130 E HN 0.571 nan 8.360 nan 0.000 0.491 131 E N -0.248 120.049 120.200 0.161 0.000 2.474 131 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 131 E C 1.551 178.180 176.600 0.048 0.000 1.039 131 E CA 0.004 56.451 56.400 0.079 0.000 0.881 131 E CB -0.050 29.663 29.700 0.022 0.000 0.970 131 E HN 0.231 nan 8.360 nan 0.000 0.486 132 I N 1.529 122.159 120.570 0.100 0.000 2.394 132 I HA -0.110 4.060 4.170 -0.000 0.000 0.251 132 I C -0.704 175.358 176.117 -0.092 0.000 1.136 132 I CA 0.534 61.856 61.300 0.037 0.000 1.425 132 I CB -0.844 37.230 38.000 0.124 0.000 1.079 132 I HN 0.165 nan 8.210 nan 0.000 0.425 133 P HA -0.210 nan 4.420 nan 0.000 0.213 133 P C 1.588 178.692 177.300 -0.328 0.000 1.170 133 P CA 1.989 64.774 63.100 -0.525 0.000 0.898 133 P CB -0.046 31.512 31.700 -0.238 0.000 0.787 134 A N -0.992 121.763 122.820 -0.108 0.000 1.940 134 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 134 A C 2.243 179.804 177.584 -0.038 0.000 1.176 134 A CA 1.587 53.600 52.037 -0.040 0.000 0.631 134 A CB -1.736 17.261 19.000 -0.004 0.000 0.814 134 A HN 0.154 nan 8.150 nan 0.000 0.446 135 L N -0.346 120.848 121.223 -0.048 0.000 2.141 135 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 135 L C 2.038 178.893 176.870 -0.024 0.000 1.094 135 L CA 2.281 57.100 54.840 -0.033 0.000 0.763 135 L CB -0.304 41.733 42.059 -0.038 0.000 0.908 135 L HN 0.470 nan 8.230 nan 0.000 0.437 136 D N -0.691 119.678 120.400 -0.050 0.000 2.097 136 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 136 D C 2.059 178.390 176.300 0.051 0.000 0.984 136 D CA 1.230 55.233 54.000 0.005 0.000 0.826 136 D CB 0.112 40.915 40.800 0.004 0.000 0.973 136 D HN 0.170 nan 8.370 nan 0.000 0.460 137 K N 0.441 120.873 120.400 0.054 0.000 2.063 137 K HA -0.172 4.147 4.320 -0.000 0.000 0.208 137 K C 2.156 178.781 176.600 0.040 0.000 1.048 137 K CA 1.042 57.371 56.287 0.071 0.000 0.928 137 K CB -0.292 32.252 32.500 0.073 0.000 0.713 137 K HN 0.414 nan 8.250 nan 0.000 0.442 138 E N 0.677 120.890 120.200 0.022 0.000 2.153 138 E HA -0.106 4.243 4.350 -0.000 0.000 0.194 138 E C 2.078 178.687 176.600 0.015 0.000 0.988 138 E CA 0.721 57.130 56.400 0.014 0.000 0.811 138 E CB -0.002 29.701 29.700 0.004 0.000 0.746 138 E HN 0.220 nan 8.360 nan 0.000 0.466 139 L N 0.434 121.669 121.223 0.019 0.000 2.307 139 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 139 L C 2.189 179.074 176.870 0.026 0.000 1.099 139 L CA 0.401 55.253 54.840 0.020 0.000 0.816 139 L CB 0.052 42.124 42.059 0.022 0.000 0.952 139 L HN -0.092 nan 8.230 nan 0.000 0.455 140 K N 0.347 120.768 120.400 0.036 0.000 2.209 140 K HA -0.053 4.266 4.320 -0.000 0.000 0.204 140 K C 2.043 178.658 176.600 0.026 0.000 1.048 140 K CA 1.231 57.541 56.287 0.038 0.000 0.940 140 K CB -0.234 32.298 32.500 0.054 0.000 0.729 140 K HN 0.256 nan 8.250 nan 0.000 0.451 141 A N 1.220 124.054 122.820 0.022 0.000 2.067 141 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 141 A C 1.686 179.277 177.584 0.011 0.000 1.158 141 A CA 1.262 53.308 52.037 0.016 0.000 0.661 141 A CB -0.089 18.919 19.000 0.014 0.000 0.801 141 A HN 0.208 nan 8.150 nan 0.000 0.452 142 K N -1.402 119.004 120.400 0.011 0.000 2.372 142 K HA 0.286 4.606 4.320 -0.000 0.000 0.200 142 K C 0.734 177.338 176.600 0.006 0.000 1.022 142 K CA 0.378 56.669 56.287 0.006 0.000 1.125 142 K CB 0.231 32.733 32.500 0.004 0.000 0.855 142 K HN 0.544 nan 8.250 nan 0.000 0.524 143 G N 2.351 111.157 108.800 0.010 0.000 2.198 143 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.257 143 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.257 143 G C -0.344 174.563 174.900 0.011 0.000 1.042 143 G CA 0.305 45.411 45.100 0.010 0.000 0.791 143 G HN 0.097 nan 8.290 nan 0.000 0.502 144 K N -0.270 120.139 120.400 0.016 0.000 2.400 144 K HA 0.773 5.093 4.320 -0.000 0.000 0.246 144 K C 0.142 176.762 176.600 0.033 0.000 0.995 144 K CA -0.167 56.131 56.287 0.018 0.000 0.840 144 K CB 1.944 34.450 32.500 0.011 0.000 1.293 144 K HN 0.608 nan 8.250 nan 0.000 0.445 145 S N -1.148 114.578 115.700 0.042 0.000 2.578 145 S HA 0.594 5.063 4.470 -0.000 0.000 0.301 145 S C 0.763 175.400 174.600 0.062 0.000 1.091 145 S CA -0.392 57.844 58.200 0.059 0.000 1.032 145 S CB 1.863 65.104 63.200 0.068 0.000 1.064 145 S HN 0.611 nan 8.310 nan 0.000 0.508 146 A N 1.150 124.006 122.820 0.060 0.000 1.854 146 A HA 0.403 4.723 4.320 -0.000 0.000 0.214 146 A C 0.547 178.167 177.584 0.059 0.000 1.192 146 A CA 0.911 52.975 52.037 0.046 0.000 0.611 146 A CB -0.575 18.436 19.000 0.019 0.000 0.832 146 A HN 0.940 nan 8.150 nan 0.000 0.442 147 L N -1.337 119.930 121.223 0.074 0.000 2.455 147 L HA 0.714 5.054 4.340 -0.000 0.000 0.264 147 L C -1.221 175.717 176.870 0.114 0.000 0.968 147 L CA -0.160 54.728 54.840 0.079 0.000 0.827 147 L CB 1.916 44.011 42.059 0.061 0.000 1.317 147 L HN 0.314 nan 8.230 nan 0.000 0.407 148 M N 5.370 125.038 119.600 0.113 0.000 2.183 148 M HA 0.455 4.935 4.480 -0.000 0.000 0.277 148 M C -1.802 174.605 176.300 0.178 0.000 0.995 148 M CA -0.278 55.101 55.300 0.133 0.000 0.969 148 M CB 1.991 34.656 32.600 0.107 0.000 1.659 148 M HN 0.513 nan 8.290 nan 0.000 0.462 149 F N 2.072 122.011 119.950 -0.019 0.000 2.626 149 F HA 0.477 5.003 4.527 -0.000 0.000 0.311 149 F C -0.411 175.344 175.800 -0.074 0.000 1.088 149 F CA -1.509 56.440 58.000 -0.085 0.000 0.949 149 F CB 1.397 40.383 39.000 -0.024 0.000 1.322 149 F HN 0.472 nan 8.300 nan 0.000 0.461 150 N N 3.457 121.757 118.700 -0.668 0.000 2.418 150 N HA 0.065 4.804 4.740 -0.000 0.000 0.277 150 N C 0.520 175.800 175.510 -0.384 0.000 1.317 150 N CA 0.557 53.255 53.050 -0.588 0.000 0.922 150 N CB 0.089 38.066 38.487 -0.851 0.000 1.194 150 N HN 0.680 nan 8.380 nan 0.000 0.485 151 L N 2.204 123.357 121.223 -0.116 0.000 2.567 151 L HA 0.059 4.398 4.340 -0.000 0.000 0.225 151 L C 1.794 178.689 176.870 0.041 0.000 1.119 151 L CA 0.085 54.916 54.840 -0.016 0.000 0.871 151 L CB 0.017 42.083 42.059 0.012 0.000 1.036 151 L HN 0.431 nan 8.230 nan 0.000 0.459 152 Q N 0.586 120.418 119.800 0.054 0.000 2.123 152 Q HA 0.001 4.340 4.340 -0.000 0.000 0.199 152 Q C 0.193 176.264 176.000 0.119 0.000 0.966 152 Q CA 0.976 56.827 55.803 0.080 0.000 0.845 152 Q CB 0.008 28.791 28.738 0.075 0.000 0.907 152 Q HN 0.424 nan 8.270 nan 0.000 0.439 153 E N 0.207 120.523 120.200 0.192 0.000 2.179 153 E HA 0.177 4.527 4.350 -0.000 0.000 0.275 153 E C -1.949 174.792 176.600 0.235 0.000 0.945 153 E CA -2.081 54.435 56.400 0.193 0.000 0.792 153 E CB 1.354 31.157 29.700 0.172 0.000 1.125 153 E HN -0.161 nan 8.360 nan 0.000 0.397 154 P HA -0.165 nan 4.420 nan 0.000 0.220 154 P C 0.796 178.387 177.300 0.484 0.000 1.148 154 P CA 0.748 64.080 63.100 0.387 0.000 0.803 154 P CB 0.057 32.045 31.700 0.479 0.000 0.782 155 Y N -0.271 120.121 120.300 0.153 0.000 2.193 155 Y HA -0.237 4.313 4.550 -0.001 0.000 0.285 155 Y C 1.795 177.764 175.900 0.116 0.000 1.166 155 Y CA 1.700 59.840 58.100 0.066 0.000 1.181 155 Y CB -0.959 37.199 38.460 -0.503 0.000 0.976 155 Y HN -0.109 nan 8.280 nan 0.000 0.520 156 F N -1.339 118.779 119.950 0.280 0.000 2.387 156 F HA -0.052 4.475 4.527 -0.000 0.000 0.294 156 F C 2.394 178.298 175.800 0.175 0.000 1.093 156 F CA 1.083 59.173 58.000 0.149 0.000 1.420 156 F CB -0.411 38.377 39.000 -0.353 0.000 1.086 156 F HN 0.028 nan 8.300 nan 0.000 0.531 157 T N -3.241 111.510 114.554 0.329 0.000 3.065 157 T HA -0.128 4.222 4.350 -0.000 0.000 0.252 157 T C 1.756 176.584 174.700 0.212 0.000 1.099 157 T CA -0.135 62.101 62.100 0.227 0.000 1.063 157 T CB -0.570 68.391 68.868 0.155 0.000 0.948 157 T HN 0.489 nan 8.240 nan 0.000 0.506 158 W N 2.792 124.163 121.300 0.117 0.000 2.335 158 W HA -0.056 4.603 4.660 -0.000 0.000 0.311 158 W C -1.666 174.831 176.519 -0.036 0.000 1.213 158 W CA 0.989 58.374 57.345 0.066 0.000 1.274 158 W CB -1.107 28.446 29.460 0.155 0.000 1.148 158 W HN 0.261 nan 8.180 nan 0.000 0.498 159 P HA -0.267 nan 4.420 nan 0.000 0.218 159 P C 2.075 179.270 177.300 -0.175 0.000 1.154 159 P CA 2.091 65.165 63.100 -0.044 0.000 0.872 159 P CB -0.554 31.237 31.700 0.152 0.000 0.790 160 L N -1.348 119.733 121.223 -0.237 0.000 2.023 160 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 160 L C 2.341 178.894 176.870 -0.528 0.000 1.073 160 L CA 1.568 56.087 54.840 -0.535 0.000 0.745 160 L CB -0.661 40.887 42.059 -0.852 0.000 0.900 160 L HN -0.111 nan 8.230 nan 0.000 0.435 161 I N 0.318 120.589 120.570 -0.499 0.000 2.151 161 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 161 I C 2.632 178.371 176.117 -0.630 0.000 1.080 161 I CA 1.458 62.448 61.300 -0.515 0.000 1.339 161 I CB -0.519 37.215 38.000 -0.445 0.000 1.039 161 I HN 0.296 nan 8.210 nan 0.000 0.409 162 A N 0.460 122.706 122.820 -0.955 0.000 2.119 162 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 162 A C 2.504 179.879 177.584 -0.348 0.000 1.153 162 A CA 1.213 52.759 52.037 -0.819 0.000 0.692 162 A CB -0.622 17.709 19.000 -1.115 0.000 0.799 162 A HN 0.428 nan 8.150 nan 0.000 0.458 163 A N 0.157 122.822 122.820 -0.259 0.000 1.892 163 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 163 A C 1.732 179.309 177.584 -0.012 0.000 1.188 163 A CA 2.117 54.111 52.037 -0.071 0.000 0.631 163 A CB -0.450 18.568 19.000 0.029 0.000 0.822 163 A HN 0.433 nan 8.150 nan 0.000 0.447 164 D N -2.646 117.762 120.400 0.013 0.000 2.358 164 D HA 0.355 4.995 4.640 -0.000 0.000 0.224 164 D C 0.862 177.153 176.300 -0.014 0.000 1.123 164 D CA 0.982 54.977 54.000 -0.008 0.000 0.833 164 D CB 0.020 40.818 40.800 -0.002 0.000 0.946 164 D HN 0.498 nan 8.370 nan 0.000 0.505 165 G N -1.207 107.585 108.800 -0.013 0.000 2.370 165 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.174 165 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.174 165 G C 0.677 175.628 174.900 0.085 0.000 1.002 165 G CA -0.266 44.867 45.100 0.055 0.000 0.730 165 G HN 0.485 nan 8.290 nan 0.000 0.497 166 G N 0.262 109.020 108.800 -0.070 0.000 2.483 166 G HA2 0.681 4.641 3.960 -0.000 0.000 0.248 166 G HA3 0.681 4.641 3.960 -0.000 0.000 0.248 166 G C -0.337 174.618 174.900 0.091 0.000 1.248 166 G CA 0.378 45.381 45.100 -0.161 0.000 0.838 166 G HN 1.462 nan 8.290 nan 0.000 0.566 167 Y N -1.914 118.560 120.300 0.291 0.000 2.624 167 Y HA 0.683 5.233 4.550 -0.000 0.000 0.334 167 Y C 0.651 176.780 175.900 0.382 0.000 1.155 167 Y CA -0.840 57.524 58.100 0.439 0.000 1.046 167 Y CB 0.692 39.288 38.460 0.227 0.000 1.316 167 Y HN 0.694 nan 8.280 nan 0.000 0.457 168 A N 1.601 124.566 122.820 0.241 0.000 1.821 168 A HA 0.302 4.621 4.320 -0.000 0.000 0.215 168 A C -0.309 176.904 177.584 -0.617 0.000 1.214 168 A CA 1.367 52.985 52.037 -0.698 0.000 0.608 168 A CB -0.493 17.786 19.000 -1.202 0.000 0.862 168 A HN 0.592 nan 8.150 nan 0.000 0.448 169 F N -1.194 118.869 119.950 0.187 0.000 2.569 169 F HA 0.460 4.987 4.527 -0.000 0.000 0.312 169 F C -0.101 175.936 175.800 0.395 0.000 1.109 169 F CA -1.140 57.043 58.000 0.305 0.000 0.919 169 F CB 1.689 40.774 39.000 0.142 0.000 1.211 169 F HN 0.252 nan 8.300 nan 0.000 0.446 170 K N 1.860 122.521 120.400 0.435 0.000 2.401 170 K HA 0.236 4.556 4.320 -0.000 0.000 0.278 170 K C -1.702 175.031 176.600 0.222 0.000 1.018 170 K CA 0.064 56.418 56.287 0.111 0.000 0.981 170 K CB 0.578 33.042 32.500 -0.060 0.000 0.933 170 K HN 0.677 nan 8.250 nan 0.000 0.477 171 Y N 2.061 122.340 120.300 -0.035 0.000 2.326 171 Y HA 0.325 4.875 4.550 0.000 0.000 0.331 171 Y C -1.294 174.514 175.900 -0.155 0.000 0.962 171 Y CA -0.536 57.441 58.100 -0.204 0.000 1.167 171 Y CB 1.720 39.956 38.460 -0.374 0.000 1.148 171 Y HN 0.920 nan 8.280 nan 0.000 0.463 172 E N 5.441 125.336 120.200 -0.508 0.000 3.428 172 E HA 0.229 4.579 4.350 -0.000 0.000 0.286 172 E C -1.077 175.277 176.600 -0.410 0.000 1.204 172 E CA -0.253 55.930 56.400 -0.361 0.000 1.015 172 E CB 0.183 29.785 29.700 -0.165 0.000 1.370 172 E HN 0.919 nan 8.360 nan 0.000 0.391 173 N N 0.024 118.361 118.700 -0.605 0.000 4.111 173 N HA -0.068 4.672 4.740 -0.000 0.000 0.167 173 N C 0.353 175.616 175.510 -0.412 0.000 0.886 173 N CA 0.185 53.004 53.050 -0.386 0.000 2.830 173 N CB -0.134 38.212 38.487 -0.236 0.000 1.296 173 N HN 0.498 nan 8.380 nan 0.000 0.777 174 G N 0.719 109.151 108.800 -0.614 0.000 2.175 174 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.265 174 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.265 174 G C 0.014 174.751 174.900 -0.272 0.000 0.979 174 G CA 1.349 46.299 45.100 -0.251 0.000 0.663 174 G HN 0.423 nan 8.290 nan 0.000 0.533 175 K N -0.338 119.723 120.400 -0.565 0.000 2.471 175 K HA 0.652 4.972 4.320 -0.000 0.000 0.252 175 K C -0.877 175.522 176.600 -0.334 0.000 0.938 175 K CA -1.029 55.067 56.287 -0.317 0.000 0.796 175 K CB 0.797 33.163 32.500 -0.224 0.000 1.161 175 K HN 0.071 nan 8.250 nan 0.000 0.425 176 Y N 2.183 122.471 120.300 -0.020 0.000 2.350 176 Y HA 0.173 4.723 4.550 -0.001 0.000 0.340 176 Y C 0.099 175.993 175.900 -0.011 0.000 1.006 176 Y CA -0.378 57.754 58.100 0.053 0.000 1.166 176 Y CB 1.085 39.577 38.460 0.054 0.000 1.168 176 Y HN 0.595 nan 8.280 nan 0.000 0.502 177 D N 4.535 125.040 120.400 0.174 0.000 2.338 177 D HA 0.022 4.662 4.640 -0.000 0.000 0.255 177 D C 0.818 177.248 176.300 0.216 0.000 1.237 177 D CA -0.053 54.030 54.000 0.138 0.000 0.883 177 D CB 0.517 41.384 40.800 0.112 0.000 1.087 177 D HN 0.647 nan 8.370 nan 0.000 0.485 178 I N 0.891 121.532 120.570 0.118 0.000 3.684 178 I HA 0.112 4.281 4.170 -0.000 0.000 0.304 178 I C 1.186 177.451 176.117 0.247 0.000 1.278 178 I CA 0.093 61.461 61.300 0.114 0.000 1.272 178 I CB 0.196 38.127 38.000 -0.115 0.000 1.029 178 I HN 0.012 nan 8.210 nan 0.000 0.458 179 K N 0.659 121.179 120.400 0.200 0.000 2.367 179 K HA 0.128 4.448 4.320 -0.000 0.000 0.194 179 K C -0.070 176.655 176.600 0.209 0.000 1.027 179 K CA 0.256 56.650 56.287 0.179 0.000 1.075 179 K CB 0.130 32.700 32.500 0.117 0.000 0.845 179 K HN 0.279 nan 8.250 nan 0.000 0.529 180 D N 1.663 122.226 120.400 0.272 0.000 2.518 180 D HA 0.115 4.755 4.640 -0.000 0.000 0.230 180 D C -0.901 175.650 176.300 0.418 0.000 1.138 180 D CA -0.254 53.931 54.000 0.308 0.000 0.964 180 D CB 0.409 41.374 40.800 0.275 0.000 1.011 180 D HN -0.277 nan 8.370 nan 0.000 0.517 181 V N 1.276 121.345 119.914 0.258 0.000 2.539 181 V HA 0.660 4.780 4.120 -0.000 0.000 0.292 181 V C 1.313 177.330 176.094 -0.129 0.000 1.045 181 V CA -0.753 61.593 62.300 0.077 0.000 0.945 181 V CB 1.913 33.751 31.823 0.025 0.000 0.993 181 V HN 0.521 nan 8.190 nan 0.000 0.464 182 G N 1.672 110.167 108.800 -0.510 0.000 4.637 182 G HA2 0.348 4.308 3.960 -0.000 0.000 0.294 182 G HA3 0.348 4.308 3.960 -0.000 0.000 0.294 182 G C 0.495 175.173 174.900 -0.370 0.000 1.215 182 G CA 0.457 45.001 45.100 -0.926 0.000 0.943 182 G HN 0.847 nan 8.290 nan 0.000 0.572 183 V N -3.241 116.597 119.914 -0.126 0.000 3.647 183 V HA 0.274 4.394 4.120 -0.000 0.000 0.279 183 V C 0.915 176.971 176.094 -0.064 0.000 1.314 183 V CA 1.125 63.413 62.300 -0.019 0.000 1.125 183 V CB 0.781 32.594 31.823 -0.017 0.000 0.907 183 V HN 0.118 nan 8.190 nan 0.000 0.434 184 D N 1.016 121.365 120.400 -0.085 0.000 2.469 184 D HA 0.150 4.789 4.640 -0.000 0.000 0.213 184 D C 0.682 176.951 176.300 -0.052 0.000 1.135 184 D CA 0.090 54.056 54.000 -0.058 0.000 0.834 184 D CB 0.096 40.872 40.800 -0.040 0.000 1.009 184 D HN 0.810 nan 8.370 nan 0.000 0.507 185 N N -0.444 118.212 118.700 -0.075 0.000 2.347 185 N HA 0.254 4.994 4.740 -0.000 0.000 0.253 185 N C 1.204 176.694 175.510 -0.033 0.000 1.274 185 N CA 0.138 53.162 53.050 -0.044 0.000 0.941 185 N CB 0.497 38.961 38.487 -0.037 0.000 1.200 185 N HN -0.155 nan 8.380 nan 0.000 0.514 186 A N -0.322 122.491 122.820 -0.013 0.000 1.972 186 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 186 A C 2.051 179.630 177.584 -0.008 0.000 1.169 186 A CA 1.785 53.817 52.037 -0.007 0.000 0.635 186 A CB -1.707 17.292 19.000 -0.001 0.000 0.810 186 A HN 0.815 nan 8.150 nan 0.000 0.446 187 G N -0.382 108.409 108.800 -0.015 0.000 2.453 187 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.215 187 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.215 187 G C 1.795 176.669 174.900 -0.044 0.000 1.201 187 G CA 1.549 46.639 45.100 -0.018 0.000 0.784 187 G HN 0.823 nan 8.290 nan 0.000 0.545 188 A N 0.800 123.562 122.820 -0.097 0.000 1.933 188 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 188 A C 2.207 179.736 177.584 -0.092 0.000 1.175 188 A CA 2.428 54.376 52.037 -0.148 0.000 0.628 188 A CB -0.429 18.480 19.000 -0.151 0.000 0.814 188 A HN 0.408 nan 8.150 nan 0.000 0.444 189 K N 0.387 120.758 120.400 -0.049 0.000 2.032 189 K HA -0.076 4.244 4.320 -0.000 0.000 0.209 189 K C 1.963 178.566 176.600 0.006 0.000 1.048 189 K CA 1.930 58.203 56.287 -0.023 0.000 0.927 189 K CB -0.601 31.892 32.500 -0.011 0.000 0.712 189 K HN 0.315 nan 8.250 nan 0.000 0.441 190 A N 0.032 122.881 122.820 0.048 0.000 1.902 190 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 190 A C 2.454 180.128 177.584 0.151 0.000 1.181 190 A CA 1.861 53.991 52.037 0.155 0.000 0.623 190 A CB -1.395 17.728 19.000 0.205 0.000 0.818 190 A HN 0.518 nan 8.150 nan 0.000 0.443 191 G N -0.310 108.489 108.800 -0.002 0.000 2.433 191 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 191 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 191 G C 1.485 176.203 174.900 -0.304 0.000 1.186 191 G CA 1.167 46.044 45.100 -0.373 0.000 0.779 191 G HN 0.445 nan 8.290 nan 0.000 0.543 192 L N 0.972 122.090 121.223 -0.174 0.000 2.093 192 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 192 L C 2.951 179.773 176.870 -0.079 0.000 1.085 192 L CA 2.262 57.028 54.840 -0.123 0.000 0.755 192 L CB -0.837 41.173 42.059 -0.083 0.000 0.904 192 L HN 0.188 nan 8.230 nan 0.000 0.435 193 T N -0.750 113.782 114.554 -0.037 0.000 2.684 193 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 193 T C 1.647 176.352 174.700 0.007 0.000 1.036 193 T CA 1.990 64.091 62.100 0.002 0.000 1.148 193 T CB -0.554 68.343 68.868 0.049 0.000 0.863 193 T HN 0.378 nan 8.240 nan 0.000 0.436 194 F N 1.204 121.065 119.950 -0.149 0.000 2.171 194 F HA -0.011 4.515 4.527 -0.000 0.000 0.300 194 F C 1.939 177.626 175.800 -0.187 0.000 1.090 194 F CA 0.680 58.573 58.000 -0.177 0.000 1.293 194 F CB -0.332 38.430 39.000 -0.397 0.000 1.013 194 F HN 0.035 nan 8.300 nan 0.000 0.486 195 L N -0.357 120.785 121.223 -0.135 0.000 2.056 195 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 195 L C 2.204 178.996 176.870 -0.131 0.000 1.078 195 L CA 1.479 56.227 54.840 -0.153 0.000 0.749 195 L CB -0.872 41.103 42.059 -0.140 0.000 0.901 195 L HN 0.024 nan 8.230 nan 0.000 0.433 196 V N -0.186 119.665 119.914 -0.105 0.000 2.343 196 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 196 V C 2.236 178.272 176.094 -0.098 0.000 1.051 196 V CA 1.930 64.182 62.300 -0.079 0.000 1.036 196 V CB -0.752 31.038 31.823 -0.056 0.000 0.654 196 V HN 0.443 nan 8.190 nan 0.000 0.451 197 D N -0.025 120.290 120.400 -0.141 0.000 2.144 197 D HA -0.120 4.519 4.640 -0.000 0.000 0.199 197 D C 2.095 178.299 176.300 -0.161 0.000 0.984 197 D CA 1.140 55.047 54.000 -0.156 0.000 0.834 197 D CB -0.217 40.464 40.800 -0.199 0.000 0.955 197 D HN 0.345 nan 8.370 nan 0.000 0.465 198 L N 0.027 121.119 121.223 -0.218 0.000 2.093 198 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 198 L C 2.344 179.198 176.870 -0.026 0.000 1.085 198 L CA 0.660 55.450 54.840 -0.083 0.000 0.755 198 L CB -0.223 41.775 42.059 -0.102 0.000 0.904 198 L HN 0.044 nan 8.230 nan 0.000 0.435 199 I N 0.213 120.752 120.570 -0.051 0.000 2.286 199 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 199 I C 2.566 178.649 176.117 -0.057 0.000 1.104 199 I CA 1.257 62.535 61.300 -0.036 0.000 1.397 199 I CB -0.182 37.802 38.000 -0.027 0.000 1.072 199 I HN 0.274 nan 8.210 nan 0.000 0.417 200 K N 0.647 121.006 120.400 -0.068 0.000 2.217 200 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 200 K C 1.176 177.715 176.600 -0.101 0.000 1.051 200 K CA 1.516 57.761 56.287 -0.070 0.000 0.952 200 K CB -0.447 32.020 32.500 -0.056 0.000 0.736 200 K HN 0.264 nan 8.250 nan 0.000 0.453 201 N N 0.879 119.495 118.700 -0.140 0.000 2.370 201 N HA 0.066 4.805 4.740 -0.000 0.000 0.198 201 N C -0.676 174.578 175.510 -0.426 0.000 1.156 201 N CA -0.149 52.752 53.050 -0.249 0.000 0.839 201 N CB 0.296 38.647 38.487 -0.226 0.000 0.989 201 N HN 0.093 nan 8.380 nan 0.000 0.468 202 K N -0.739 119.512 120.400 -0.248 0.000 3.130 202 K HA -0.250 4.070 4.320 -0.000 0.000 0.282 202 K C -0.418 176.074 176.600 -0.181 0.000 1.145 202 K CA 0.853 57.031 56.287 -0.182 0.000 0.831 202 K CB -2.258 30.156 32.500 -0.144 0.000 1.226 202 K HN 0.659 nan 8.250 nan 0.000 0.478 203 H N -1.110 117.954 119.070 -0.011 0.000 2.551 203 H HA 0.270 4.825 4.556 -0.000 0.000 0.266 203 H C 0.773 176.114 175.328 0.022 0.000 0.977 203 H CA 0.666 56.717 56.048 0.006 0.000 1.163 203 H CB 0.272 30.035 29.762 0.001 0.000 1.381 203 H HN 0.157 nan 8.280 nan 0.000 0.581 204 M N 0.207 119.863 119.600 0.093 0.000 2.414 204 M HA 0.219 4.699 4.480 -0.000 0.000 0.287 204 M C -1.674 174.648 176.300 0.036 0.000 1.181 204 M CA -0.651 54.696 55.300 0.078 0.000 0.933 204 M CB 2.111 34.768 32.600 0.094 0.000 1.732 204 M HN -0.068 nan 8.290 nan 0.000 0.486 205 N N 1.293 120.016 118.700 0.038 0.000 2.438 205 N HA 0.518 5.258 4.740 -0.000 0.000 0.282 205 N C 0.495 176.017 175.510 0.021 0.000 1.037 205 N CA 0.057 53.120 53.050 0.022 0.000 0.942 205 N CB 1.781 40.282 38.487 0.023 0.000 1.136 205 N HN 0.731 nan 8.380 nan 0.000 0.481 206 A N 1.676 124.503 122.820 0.011 0.000 2.076 206 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 206 A C 1.079 178.672 177.584 0.015 0.000 1.160 206 A CA 1.519 53.562 52.037 0.010 0.000 0.653 206 A CB -0.293 18.709 19.000 0.002 0.000 0.801 206 A HN 0.799 nan 8.150 nan 0.000 0.455 207 D N -1.192 119.218 120.400 0.017 0.000 2.388 207 D HA 0.040 4.680 4.640 -0.000 0.000 0.221 207 D C -0.299 176.016 176.300 0.024 0.000 1.133 207 D CA 0.092 54.104 54.000 0.020 0.000 0.831 207 D CB -0.872 39.939 40.800 0.018 0.000 0.962 207 D HN 0.102 nan 8.370 nan 0.000 0.502 208 T N 2.198 116.766 114.554 0.024 0.000 2.799 208 T HA 0.275 4.625 4.350 -0.000 0.000 0.296 208 T C 0.001 174.709 174.700 0.012 0.000 0.947 208 T CA -0.189 61.925 62.100 0.024 0.000 1.141 208 T CB 0.981 69.869 68.868 0.034 0.000 0.891 208 T HN 0.357 nan 8.240 nan 0.000 0.533 209 D N 1.358 121.771 120.400 0.021 0.000 2.666 209 D HA 0.177 4.817 4.640 -0.000 0.000 0.252 209 D C 1.037 177.354 176.300 0.028 0.000 1.143 209 D CA -0.990 53.030 54.000 0.033 0.000 1.096 209 D CB 0.116 40.957 40.800 0.068 0.000 1.260 209 D HN 0.338 nan 8.370 nan 0.000 0.633 210 Y N 0.268 120.540 120.300 -0.048 0.000 2.145 210 Y HA -0.182 4.367 4.550 -0.000 0.000 0.286 210 Y C 2.430 178.343 175.900 0.022 0.000 1.145 210 Y CA 2.448 60.523 58.100 -0.041 0.000 1.148 210 Y CB -0.142 38.322 38.460 0.007 0.000 0.981 210 Y HN 0.311 nan 8.280 nan 0.000 0.507 211 S N 0.376 116.225 115.700 0.248 0.000 2.368 211 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 211 S C 1.976 176.625 174.600 0.082 0.000 1.030 211 S CA 1.730 60.036 58.200 0.176 0.000 0.999 211 S CB -0.494 62.791 63.200 0.142 0.000 0.844 211 S HN 0.448 nan 8.310 nan 0.000 0.459 212 I N 1.817 122.423 120.570 0.060 0.000 2.252 212 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 212 I C 2.723 178.857 176.117 0.029 0.000 1.102 212 I CA 1.050 62.375 61.300 0.042 0.000 1.385 212 I CB -0.494 37.530 38.000 0.039 0.000 1.064 212 I HN 0.261 nan 8.210 nan 0.000 0.414 213 A N 0.157 122.979 122.820 0.003 0.000 1.902 213 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 213 A C 2.335 179.905 177.584 -0.024 0.000 1.181 213 A CA 1.915 53.950 52.037 -0.004 0.000 0.623 213 A CB -0.590 18.403 19.000 -0.012 0.000 0.818 213 A HN 0.486 nan 8.150 nan 0.000 0.443 214 E N -0.326 119.820 120.200 -0.089 0.000 2.072 214 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 214 E C 2.200 178.826 176.600 0.044 0.000 0.982 214 E CA 0.831 57.194 56.400 -0.061 0.000 0.803 214 E CB -0.220 29.422 29.700 -0.096 0.000 0.755 214 E HN 0.527 nan 8.360 nan 0.000 0.453 215 A N 1.306 124.152 122.820 0.044 0.000 1.902 215 A HA -0.136 4.183 4.320 -0.000 0.000 0.217 215 A C 2.382 179.993 177.584 0.044 0.000 1.181 215 A CA 1.858 53.923 52.037 0.046 0.000 0.623 215 A CB -0.767 18.258 19.000 0.043 0.000 0.818 215 A HN 0.401 nan 8.150 nan 0.000 0.443 216 A N -1.425 121.429 122.820 0.056 0.000 1.902 216 A HA -0.068 4.251 4.320 -0.000 0.000 0.217 216 A C 2.061 179.689 177.584 0.074 0.000 1.181 216 A CA 1.649 53.721 52.037 0.058 0.000 0.623 216 A CB -0.687 18.355 19.000 0.070 0.000 0.818 216 A HN 0.651 nan 8.150 nan 0.000 0.443 217 F N 1.050 120.972 119.950 -0.045 0.000 2.259 217 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 217 F C 1.757 177.519 175.800 -0.063 0.000 1.088 217 F CA 1.735 59.699 58.000 -0.061 0.000 1.358 217 F CB -0.261 38.682 39.000 -0.096 0.000 1.040 217 F HN 0.312 nan 8.300 nan 0.000 0.505 218 N N -0.537 118.167 118.700 0.008 0.000 2.412 218 N HA -0.018 4.721 4.740 -0.000 0.000 0.184 218 N C 0.974 176.435 175.510 -0.082 0.000 1.101 218 N CA 0.142 53.157 53.050 -0.058 0.000 0.881 218 N CB 0.081 38.580 38.487 0.019 0.000 0.969 218 N HN 0.239 nan 8.380 nan 0.000 0.459 219 K N 0.153 120.510 120.400 -0.072 0.000 2.372 219 K HA 0.140 4.459 4.320 -0.000 0.000 0.200 219 K C 0.656 177.199 176.600 -0.095 0.000 1.022 219 K CA -0.039 56.209 56.287 -0.064 0.000 1.125 219 K CB 0.873 33.356 32.500 -0.028 0.000 0.855 219 K HN 0.127 nan 8.250 nan 0.000 0.524 220 G N 2.176 110.875 108.800 -0.169 0.000 2.198 220 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 220 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 220 G C 0.433 175.266 174.900 -0.112 0.000 1.025 220 G CA 0.612 45.598 45.100 -0.191 0.000 0.769 220 G HN 0.469 nan 8.290 nan 0.000 0.507 221 E N -1.100 119.056 120.200 -0.072 0.000 2.190 221 E HA 0.084 4.433 4.350 -0.000 0.000 0.191 221 E C 1.193 177.795 176.600 0.003 0.000 0.978 221 E CA 0.990 57.376 56.400 -0.023 0.000 0.839 221 E CB 0.346 30.046 29.700 -0.001 0.000 0.787 221 E HN 0.351 nan 8.360 nan 0.000 0.473 222 T N -1.155 113.412 114.554 0.020 0.000 2.856 222 T HA 0.468 4.818 4.350 -0.000 0.000 0.283 222 T C 0.479 175.242 174.700 0.106 0.000 1.008 222 T CA -0.172 61.980 62.100 0.085 0.000 0.997 222 T CB 1.708 70.662 68.868 0.144 0.000 0.992 222 T HN 0.023 nan 8.240 nan 0.000 0.454 223 A N 4.504 127.395 122.820 0.119 0.000 1.970 223 A HA 0.377 4.696 4.320 -0.000 0.000 0.216 223 A C 0.852 178.627 177.584 0.318 0.000 1.170 223 A CA 0.855 52.974 52.037 0.137 0.000 0.645 223 A CB -0.143 18.909 19.000 0.087 0.000 0.816 223 A HN 0.741 nan 8.150 nan 0.000 0.447 224 M N -2.320 117.456 119.600 0.294 0.000 2.631 224 M HA 0.511 4.991 4.480 -0.000 0.000 0.288 224 M C -0.840 175.445 176.300 -0.025 0.000 1.260 224 M CA -0.282 55.137 55.300 0.199 0.000 0.842 224 M CB 2.628 35.248 32.600 0.033 0.000 1.743 224 M HN 0.045 nan 8.290 nan 0.000 0.461 225 T N 1.033 115.338 114.554 -0.415 0.000 2.885 225 T HA 0.686 5.036 4.350 -0.000 0.000 0.322 225 T C -1.763 172.502 174.700 -0.725 0.000 1.387 225 T CA -0.559 61.197 62.100 -0.573 0.000 1.041 225 T CB 1.272 69.701 68.868 -0.732 0.000 1.287 225 T HN 0.532 nan 8.240 nan 0.000 0.491 226 I N 3.761 123.663 120.570 -1.114 0.000 2.498 226 I HA 0.647 4.816 4.170 -0.000 0.000 0.301 226 I C 0.409 175.644 176.117 -1.471 0.000 0.984 226 I CA -0.694 59.903 61.300 -1.173 0.000 1.204 226 I CB 1.542 39.007 38.000 -0.892 0.000 1.362 226 I HN 0.544 nan 8.210 nan 0.000 0.471 227 N N 1.416 119.759 118.700 -0.596 0.000 3.717 227 N HA 0.355 5.095 4.740 -0.000 0.000 0.239 227 N C -1.206 174.068 175.510 -0.393 0.000 1.388 227 N CA -0.310 52.574 53.050 -0.278 0.000 0.828 227 N CB 1.616 39.869 38.487 -0.390 0.000 1.468 227 N HN 0.751 nan 8.380 nan 0.000 0.445 228 G N -0.105 108.068 108.800 -1.044 0.000 2.667 228 G HA2 0.537 4.497 3.960 -0.000 0.000 0.310 228 G HA3 0.537 4.497 3.960 -0.000 0.000 0.310 228 G C -2.019 171.865 174.900 -1.693 0.000 1.259 228 G CA -1.148 43.023 45.100 -1.549 0.000 1.019 228 G HN 0.343 nan 8.290 nan 0.000 0.496 229 P HA -0.098 nan 4.420 nan 0.000 0.222 229 P C 1.152 177.771 177.300 -1.136 0.000 1.142 229 P CA 1.286 63.202 63.100 -1.973 0.000 0.788 229 P CB 0.022 31.030 31.700 -1.154 0.000 0.767 230 W N -0.973 120.053 121.300 -0.456 0.000 2.584 230 W HA 0.260 4.919 4.660 -0.000 0.000 0.264 230 W C 1.680 178.147 176.519 -0.087 0.000 1.264 230 W CA 0.758 57.983 57.345 -0.199 0.000 1.306 230 W CB -1.519 27.884 29.460 -0.096 0.000 1.110 230 W HN -0.159 nan 8.180 nan 0.000 0.606 231 A N -0.284 122.296 122.820 -0.400 0.000 2.275 231 A HA 0.138 4.457 4.320 -0.000 0.000 0.212 231 A C 1.413 179.012 177.584 0.024 0.000 1.201 231 A CA 0.267 52.260 52.037 -0.074 0.000 0.843 231 A CB -1.047 17.868 19.000 -0.141 0.000 0.873 231 A HN 0.350 nan 8.150 nan 0.000 0.492 232 W N 1.390 122.613 121.300 -0.128 0.000 2.355 232 W HA -0.189 4.471 4.660 -0.000 0.000 0.309 232 W C 2.669 179.153 176.519 -0.058 0.000 1.206 232 W CA 1.421 58.696 57.345 -0.116 0.000 1.284 232 W CB -1.459 27.997 29.460 -0.006 0.000 1.145 232 W HN 0.537 nan 8.180 nan 0.000 0.502 233 S N -0.136 115.708 115.700 0.239 0.000 2.442 233 S HA -0.179 4.291 4.470 -0.000 0.000 0.236 233 S C 1.468 176.132 174.600 0.106 0.000 1.007 233 S CA 1.338 59.635 58.200 0.162 0.000 0.965 233 S CB -0.873 62.412 63.200 0.141 0.000 0.773 233 S HN 0.378 nan 8.310 nan 0.000 0.504 234 N N 1.376 120.131 118.700 0.092 0.000 2.300 234 N HA 0.136 4.876 4.740 -0.000 0.000 0.179 234 N C 1.640 177.163 175.510 0.022 0.000 1.016 234 N CA 1.383 54.472 53.050 0.066 0.000 0.876 234 N CB -0.202 38.337 38.487 0.087 0.000 0.979 234 N HN 0.488 nan 8.380 nan 0.000 0.432 235 I N 1.267 121.813 120.570 -0.041 0.000 2.439 235 I HA -0.157 4.013 4.170 -0.000 0.000 0.251 235 I C 1.534 177.612 176.117 -0.065 0.000 1.139 235 I CA 0.843 62.047 61.300 -0.161 0.000 1.438 235 I CB -0.213 37.447 38.000 -0.567 0.000 1.085 235 I HN -0.087 nan 8.210 nan 0.000 0.427 236 D N 0.933 121.356 120.400 0.038 0.000 2.117 236 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 236 D C 2.221 178.562 176.300 0.069 0.000 0.987 236 D CA 1.744 55.819 54.000 0.126 0.000 0.829 236 D CB -0.400 40.482 40.800 0.136 0.000 0.961 236 D HN 0.291 nan 8.370 nan 0.000 0.460 237 T N 0.287 114.871 114.554 0.049 0.000 2.951 237 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 237 T C 2.015 176.727 174.700 0.020 0.000 1.073 237 T CA 1.281 63.402 62.100 0.036 0.000 1.134 237 T CB -0.150 68.741 68.868 0.039 0.000 0.884 237 T HN 0.197 nan 8.240 nan 0.000 0.479 238 S N 0.667 116.372 115.700 0.009 0.000 2.561 238 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 238 S C 0.979 175.568 174.600 -0.019 0.000 0.977 238 S CA 0.402 58.595 58.200 -0.011 0.000 0.926 238 S CB -0.296 62.886 63.200 -0.031 0.000 0.769 238 S HN 0.298 nan 8.310 nan 0.000 0.533 239 K N -0.263 120.138 120.400 0.003 0.000 3.209 239 K HA -0.094 4.226 4.320 -0.000 0.000 0.289 239 K C -0.635 175.958 176.600 -0.012 0.000 1.191 239 K CA 0.756 57.044 56.287 0.002 0.000 0.851 239 K CB -2.458 30.036 32.500 -0.010 0.000 1.242 239 K HN 0.410 nan 8.250 nan 0.000 0.480 240 V N 1.624 121.528 119.914 -0.015 0.000 2.488 240 V HA 0.080 4.200 4.120 -0.000 0.000 0.277 240 V C 0.773 176.896 176.094 0.048 0.000 1.046 240 V CA -0.592 61.675 62.300 -0.055 0.000 0.986 240 V CB 1.257 32.964 31.823 -0.193 0.000 0.989 240 V HN 0.255 nan 8.190 nan 0.000 0.475 241 N N 5.220 123.905 118.700 -0.025 0.000 2.434 241 N HA 0.110 4.850 4.740 -0.000 0.000 0.273 241 N C -0.784 174.686 175.510 -0.067 0.000 1.210 241 N CA -0.071 52.947 53.050 -0.054 0.000 0.992 241 N CB -0.276 38.165 38.487 -0.077 0.000 1.355 241 N HN 0.632 nan 8.380 nan 0.000 0.495 242 Y N 0.273 120.451 120.300 -0.203 0.000 2.487 242 Y HA 0.867 5.417 4.550 -0.000 0.000 0.337 242 Y C 0.300 175.946 175.900 -0.423 0.000 1.076 242 Y CA -1.442 56.499 58.100 -0.264 0.000 1.115 242 Y CB 0.914 39.323 38.460 -0.084 0.000 1.235 242 Y HN 0.214 nan 8.280 nan 0.000 0.468 243 G N 0.962 109.334 108.800 -0.713 0.000 2.533 243 G HA2 0.613 4.572 3.960 -0.000 0.000 0.304 243 G HA3 0.613 4.572 3.960 -0.000 0.000 0.304 243 G C -2.083 172.553 174.900 -0.439 0.000 1.263 243 G CA -1.167 43.446 45.100 -0.812 0.000 0.964 243 G HN 0.689 nan 8.290 nan 0.000 0.479 244 V N 0.259 120.066 119.914 -0.179 0.000 2.531 244 V HA 0.775 4.895 4.120 -0.000 0.000 0.301 244 V C 0.129 176.276 176.094 0.088 0.000 1.034 244 V CA -0.410 61.891 62.300 0.001 0.000 0.865 244 V CB 1.482 33.261 31.823 -0.074 0.000 0.995 244 V HN 0.960 nan 8.190 nan 0.000 0.424 245 T N 2.580 117.216 114.554 0.138 0.000 2.696 245 T HA 0.504 4.854 4.350 -0.000 0.000 0.291 245 T C -0.869 173.844 174.700 0.021 0.000 1.095 245 T CA -0.304 61.844 62.100 0.079 0.000 1.026 245 T CB 1.969 70.886 68.868 0.081 0.000 1.390 245 T HN 0.499 nan 8.240 nan 0.000 0.513 246 V N 2.819 122.726 119.914 -0.012 0.000 2.763 246 V HA 0.320 4.440 4.120 -0.000 0.000 0.306 246 V C 0.272 176.333 176.094 -0.056 0.000 1.059 246 V CA 0.084 62.367 62.300 -0.027 0.000 1.138 246 V CB -0.005 31.797 31.823 -0.034 0.000 0.940 246 V HN 0.691 nan 8.190 nan 0.000 0.489 247 L N 7.974 129.175 121.223 -0.038 0.000 2.467 247 L HA 0.296 4.636 4.340 -0.000 0.000 0.270 247 L C -1.963 174.851 176.870 -0.094 0.000 1.205 247 L CA -1.404 53.401 54.840 -0.059 0.000 0.828 247 L CB 0.427 42.511 42.059 0.041 0.000 1.101 247 L HN 0.567 nan 8.230 nan 0.000 0.479 248 P HA 0.091 nan 4.420 nan 0.000 0.271 248 P C -0.736 176.579 177.300 0.026 0.000 1.218 248 P CA -0.492 62.428 63.100 -0.300 0.000 0.780 248 P CB 0.541 31.731 31.700 -0.851 0.000 0.901 249 T N -0.241 114.356 114.554 0.072 0.000 2.910 249 T HA 0.474 4.824 4.350 -0.000 0.000 0.293 249 T C -0.617 174.280 174.700 0.328 0.000 1.015 249 T CA -0.362 61.838 62.100 0.168 0.000 1.094 249 T CB 0.063 68.960 68.868 0.048 0.000 0.968 249 T HN 0.188 nan 8.240 nan 0.000 0.521 250 F N 2.349 122.351 119.950 0.087 0.000 2.482 250 F HA 0.485 5.012 4.527 -0.000 0.000 0.331 250 F C 0.748 176.482 175.800 -0.111 0.000 1.115 250 F CA -1.522 56.434 58.000 -0.073 0.000 0.955 250 F CB 1.293 40.136 39.000 -0.262 0.000 1.136 250 F HN 0.901 nan 8.300 nan 0.000 0.452 251 K N 4.194 124.133 120.400 -0.768 0.000 3.020 251 K HA -0.226 4.093 4.320 -0.000 0.000 0.266 251 K C 0.931 177.352 176.600 -0.297 0.000 1.067 251 K CA 0.911 56.822 56.287 -0.627 0.000 0.780 251 K CB -1.742 30.242 32.500 -0.860 0.000 1.220 251 K HN 1.405 nan 8.250 nan 0.000 0.483 252 G N -0.797 107.897 108.800 -0.176 0.000 2.199 252 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 252 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 252 G C -0.140 174.720 174.900 -0.066 0.000 0.982 252 G CA 0.464 45.506 45.100 -0.097 0.000 0.632 252 G HN 0.258 nan 8.290 nan 0.000 0.529 253 Q N 0.673 120.433 119.800 -0.068 0.000 2.235 253 Q HA 0.536 4.876 4.340 -0.000 0.000 0.256 253 Q C -2.592 173.421 176.000 0.023 0.000 0.951 253 Q CA -2.137 53.649 55.803 -0.029 0.000 0.890 253 Q CB 1.613 30.326 28.738 -0.042 0.000 1.279 253 Q HN 0.233 nan 8.270 nan 0.000 0.444 254 P HA 0.103 nan 4.420 nan 0.000 0.274 254 P C -0.453 176.882 177.300 0.058 0.000 1.231 254 P CA -0.118 63.005 63.100 0.038 0.000 0.790 254 P CB 0.628 32.332 31.700 0.006 0.000 0.951 255 S N 1.503 117.267 115.700 0.106 0.000 2.562 255 S HA 0.110 4.580 4.470 -0.000 0.000 0.281 255 S C 0.338 174.951 174.600 0.023 0.000 1.333 255 S CA 0.060 58.320 58.200 0.101 0.000 1.052 255 S CB -0.143 63.194 63.200 0.230 0.000 0.884 255 S HN 0.252 nan 8.310 nan 0.000 0.506 256 K N 3.812 124.185 120.400 -0.044 0.000 2.423 256 K HA 0.307 4.627 4.320 -0.000 0.000 0.234 256 K C -2.460 174.112 176.600 -0.047 0.000 1.051 256 K CA -1.970 54.282 56.287 -0.058 0.000 1.021 256 K CB 0.842 33.288 32.500 -0.090 0.000 1.474 256 K HN 0.349 nan 8.250 nan 0.000 0.474 257 P HA 0.114 nan 4.420 nan 0.000 0.276 257 P C -0.624 176.704 177.300 0.047 0.000 1.244 257 P CA -0.458 62.661 63.100 0.032 0.000 0.801 257 P CB 0.656 32.396 31.700 0.067 0.000 1.006 258 F N 0.134 120.170 119.950 0.144 0.000 2.456 258 F HA 0.109 4.636 4.527 -0.001 0.000 0.358 258 F C 0.665 176.631 175.800 0.278 0.000 1.095 258 F CA 0.026 58.169 58.000 0.238 0.000 1.216 258 F CB 0.423 39.632 39.000 0.349 0.000 1.125 258 F HN -0.054 nan 8.300 nan 0.000 0.549 259 V N 3.741 123.952 119.914 0.494 0.000 2.385 259 V HA 0.489 4.609 4.120 -0.000 0.000 0.269 259 V C 0.532 176.869 176.094 0.405 0.000 1.043 259 V CA -0.697 61.823 62.300 0.366 0.000 0.906 259 V CB 0.846 32.833 31.823 0.272 0.000 0.995 259 V HN 0.870 nan 8.190 nan 0.000 0.467 260 G N 3.860 112.868 108.800 0.346 0.000 2.335 260 G HA2 0.561 4.521 3.960 -0.000 0.000 0.316 260 G HA3 0.561 4.521 3.960 -0.000 0.000 0.316 260 G C -0.923 174.089 174.900 0.186 0.000 1.129 260 G CA -0.343 44.939 45.100 0.304 0.000 0.899 260 G HN 0.534 nan 8.290 nan 0.000 0.448 261 V N 4.118 124.144 119.914 0.186 0.000 2.378 261 V HA 0.238 4.357 4.120 -0.000 0.000 0.288 261 V C 0.039 176.144 176.094 0.019 0.000 1.016 261 V CA -0.831 61.466 62.300 -0.005 0.000 0.840 261 V CB 1.327 32.998 31.823 -0.253 0.000 0.994 261 V HN 0.721 nan 8.190 nan 0.000 0.431 262 L N 5.630 126.851 121.223 -0.002 0.000 2.462 262 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 262 L C 0.333 177.225 176.870 0.036 0.000 1.166 262 L CA 1.364 56.206 54.840 0.003 0.000 0.880 262 L CB 0.753 42.833 42.059 0.036 0.000 1.142 262 L HN 0.745 nan 8.230 nan 0.000 0.473 263 S N 3.160 118.859 115.700 -0.003 0.000 2.599 263 S HA 0.874 5.343 4.470 -0.000 0.000 0.287 263 S C -0.867 173.738 174.600 0.009 0.000 1.105 263 S CA -0.420 57.763 58.200 -0.028 0.000 0.899 263 S CB 1.870 64.941 63.200 -0.214 0.000 1.100 263 S HN 0.853 nan 8.310 nan 0.000 0.482 264 A N 1.395 124.229 122.820 0.024 0.000 2.293 264 A HA 0.754 5.074 4.320 -0.000 0.000 0.312 264 A C 0.207 177.880 177.584 0.150 0.000 1.309 264 A CA -0.573 51.324 52.037 -0.235 0.000 0.839 264 A CB 0.202 18.973 19.000 -0.382 0.000 1.155 264 A HN 0.886 nan 8.150 nan 0.000 0.501 265 G N 1.318 110.234 108.800 0.194 0.000 2.400 265 G HA2 0.587 4.547 3.960 -0.000 0.000 0.333 265 G HA3 0.587 4.547 3.960 -0.000 0.000 0.333 265 G C -0.596 174.253 174.900 -0.084 0.000 1.143 265 G CA -0.611 44.523 45.100 0.058 0.000 0.914 265 G HN 0.662 nan 8.290 nan 0.000 0.480 266 I N 1.800 122.345 120.570 -0.042 0.000 2.321 266 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 266 I C 0.137 176.226 176.117 -0.047 0.000 0.998 266 I CA -0.981 60.299 61.300 -0.033 0.000 1.227 266 I CB 1.495 39.510 38.000 0.026 0.000 1.368 266 I HN 0.324 nan 8.210 nan 0.000 0.466 267 N N 4.481 123.158 118.700 -0.037 0.000 2.411 267 N HA -0.012 4.727 4.740 -0.000 0.000 0.261 267 N C 0.846 176.325 175.510 -0.053 0.000 1.248 267 N CA 0.287 53.328 53.050 -0.016 0.000 0.885 267 N CB 1.392 39.852 38.487 -0.046 0.000 1.062 267 N HN 0.798 nan 8.380 nan 0.000 0.471 268 A N 3.417 126.198 122.820 -0.065 0.000 2.216 268 A HA 0.050 4.369 4.320 -0.000 0.000 0.214 268 A C 1.667 179.206 177.584 -0.074 0.000 1.160 268 A CA 1.388 53.388 52.037 -0.063 0.000 0.725 268 A CB -0.195 18.767 19.000 -0.063 0.000 0.784 268 A HN 0.721 nan 8.150 nan 0.000 0.472 269 A N -1.059 121.700 122.820 -0.101 0.000 2.267 269 A HA 0.594 4.914 4.320 -0.000 0.000 0.213 269 A C 1.346 178.877 177.584 -0.089 0.000 1.192 269 A CA 0.761 52.736 52.037 -0.104 0.000 0.851 269 A CB -0.702 18.212 19.000 -0.143 0.000 0.881 269 A HN 0.703 nan 8.150 nan 0.000 0.494 270 S N 1.502 117.154 115.700 -0.080 0.000 2.531 270 S HA 0.449 4.919 4.470 -0.000 0.000 0.279 270 S C -0.779 173.792 174.600 -0.048 0.000 1.305 270 S CA -1.273 56.885 58.200 -0.070 0.000 1.058 270 S CB 0.133 63.292 63.200 -0.068 0.000 0.899 270 S HN 0.169 nan 8.310 nan 0.000 0.493 271 P HA -0.003 nan 4.420 nan 0.000 0.236 271 P C -0.338 176.953 177.300 -0.016 0.000 1.177 271 P CA 0.489 63.572 63.100 -0.028 0.000 0.773 271 P CB 0.095 31.778 31.700 -0.028 0.000 0.878 272 N N 0.649 119.338 118.700 -0.019 0.000 2.839 272 N HA 0.125 4.864 4.740 -0.000 0.000 0.314 272 N C 0.800 176.309 175.510 -0.000 0.000 1.449 272 N CA -0.212 52.835 53.050 -0.006 0.000 1.050 272 N CB 0.599 39.077 38.487 -0.014 0.000 1.364 272 N HN 0.211 nan 8.380 nan 0.000 0.512 273 K N 0.599 121.003 120.400 0.007 0.000 2.097 273 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 273 K C 1.413 178.038 176.600 0.043 0.000 1.050 273 K CA 0.822 57.122 56.287 0.021 0.000 0.938 273 K CB 0.329 32.839 32.500 0.018 0.000 0.718 273 K HN 0.110 nan 8.250 nan 0.000 0.442 274 E N 0.993 121.220 120.200 0.045 0.000 2.106 274 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 274 E C 2.052 178.705 176.600 0.089 0.000 0.984 274 E CA 0.804 57.241 56.400 0.063 0.000 0.806 274 E CB -0.046 29.688 29.700 0.057 0.000 0.750 274 E HN 0.277 nan 8.360 nan 0.000 0.458 275 L N 0.246 121.521 121.223 0.087 0.000 2.027 275 L HA -0.148 4.191 4.340 -0.000 0.000 0.206 275 L C 2.509 179.406 176.870 0.044 0.000 1.074 275 L CA 1.230 56.147 54.840 0.128 0.000 0.745 275 L CB -0.476 41.648 42.059 0.109 0.000 0.898 275 L HN 0.058 nan 8.230 nan 0.000 0.433 276 A N 0.915 123.733 122.820 -0.002 0.000 1.902 276 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 276 A C 2.244 179.862 177.584 0.057 0.000 1.181 276 A CA 2.148 54.175 52.037 -0.017 0.000 0.623 276 A CB -0.437 18.556 19.000 -0.011 0.000 0.818 276 A HN 0.460 nan 8.150 nan 0.000 0.443 277 K N -0.230 120.217 120.400 0.079 0.000 2.217 277 K HA -0.093 4.226 4.320 -0.000 0.000 0.202 277 K C 1.607 178.211 176.600 0.007 0.000 1.051 277 K CA 1.791 58.123 56.287 0.074 0.000 0.952 277 K CB -0.085 32.491 32.500 0.127 0.000 0.736 277 K HN 0.276 nan 8.250 nan 0.000 0.453 278 E N 0.085 120.338 120.200 0.088 0.000 2.112 278 E HA -0.053 4.296 4.350 -0.000 0.000 0.190 278 E C 1.480 178.230 176.600 0.250 0.000 0.979 278 E CA 0.822 57.333 56.400 0.185 0.000 0.814 278 E CB -0.342 29.541 29.700 0.304 0.000 0.762 278 E HN 0.411 nan 8.360 nan 0.000 0.460 279 F N 0.446 120.308 119.950 -0.146 0.000 2.075 279 F HA -0.112 4.415 4.527 -0.001 0.000 0.297 279 F C 1.762 177.506 175.800 -0.093 0.000 1.113 279 F CA 1.446 59.206 58.000 -0.400 0.000 1.218 279 F CB -0.200 38.288 39.000 -0.853 0.000 0.984 279 F HN 0.010 nan 8.300 nan 0.000 0.472 280 L N -0.028 121.150 121.223 -0.075 0.000 2.027 280 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 280 L C 2.451 179.125 176.870 -0.327 0.000 1.074 280 L CA 1.620 56.320 54.840 -0.233 0.000 0.745 280 L CB -0.812 41.057 42.059 -0.316 0.000 0.898 280 L HN 0.149 nan 8.230 nan 0.000 0.433 281 E N -0.002 119.943 120.200 -0.425 0.000 2.150 281 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 281 E C 1.136 177.658 176.600 -0.129 0.000 0.985 281 E CA 0.899 56.980 56.400 -0.531 0.000 0.814 281 E CB 0.088 29.271 29.700 -0.861 0.000 0.752 281 E HN 0.521 nan 8.360 nan 0.000 0.466 282 N N -1.406 117.260 118.700 -0.057 0.000 2.159 282 N HA 0.057 4.796 4.740 -0.000 0.000 0.217 282 N C 0.402 175.794 175.510 -0.197 0.000 1.223 282 N CA 0.229 53.246 53.050 -0.055 0.000 0.896 282 N CB 0.691 39.158 38.487 -0.033 0.000 1.064 282 N HN 0.157 nan 8.380 nan 0.000 0.518 283 Y N -0.353 119.844 120.300 -0.171 0.000 2.652 283 Y HA 0.234 4.784 4.550 -0.000 0.000 0.275 283 Y C 1.730 177.432 175.900 -0.330 0.000 1.133 283 Y CA -0.102 57.858 58.100 -0.234 0.000 1.246 283 Y CB 0.334 38.619 38.460 -0.291 0.000 1.334 283 Y HN -0.112 nan 8.280 nan 0.000 0.493 284 L N -0.366 120.689 121.223 -0.281 0.000 2.269 284 L HA 0.256 4.596 4.340 -0.000 0.000 0.200 284 L C 0.748 177.571 176.870 -0.079 0.000 1.069 284 L CA 1.427 56.136 54.840 -0.218 0.000 0.804 284 L CB -0.305 41.612 42.059 -0.236 0.000 0.987 284 L HN 0.059 nan 8.230 nan 0.000 0.468 285 L N 1.497 122.707 121.223 -0.022 0.000 2.821 285 L HA 0.164 4.504 4.340 -0.000 0.000 0.239 285 L C -0.180 176.718 176.870 0.047 0.000 1.391 285 L CA -0.045 54.831 54.840 0.060 0.000 1.231 285 L CB -1.260 40.919 42.059 0.200 0.000 1.598 285 L HN 0.390 nan 8.230 nan 0.000 0.428 286 T N -6.796 107.738 114.554 -0.033 0.000 2.906 286 T HA 0.282 4.631 4.350 -0.000 0.000 0.295 286 T C 0.609 175.232 174.700 -0.129 0.000 1.075 286 T CA -0.857 61.210 62.100 -0.055 0.000 1.005 286 T CB 2.076 70.898 68.868 -0.076 0.000 1.136 286 T HN -0.075 nan 8.240 nan 0.000 0.498 287 D N 0.844 121.177 120.400 -0.113 0.000 2.154 287 D HA -0.152 4.488 4.640 -0.000 0.000 0.190 287 D C 1.781 177.883 176.300 -0.331 0.000 1.003 287 D CA 2.041 55.924 54.000 -0.194 0.000 0.849 287 D CB -0.071 40.700 40.800 -0.047 0.000 0.942 287 D HN 0.819 nan 8.370 nan 0.000 0.446 288 E N -0.544 119.543 120.200 -0.188 0.000 2.150 288 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 288 E C 2.125 178.627 176.600 -0.164 0.000 0.985 288 E CA 1.049 57.357 56.400 -0.154 0.000 0.814 288 E CB -0.440 29.208 29.700 -0.085 0.000 0.752 288 E HN 0.330 nan 8.360 nan 0.000 0.466 289 G N 1.121 109.823 108.800 -0.163 0.000 2.434 289 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 289 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 289 G C 1.510 176.314 174.900 -0.158 0.000 1.202 289 G CA 0.633 45.655 45.100 -0.131 0.000 0.788 289 G HN 0.142 nan 8.290 nan 0.000 0.539 290 L N 0.195 121.271 121.223 -0.245 0.000 2.141 290 L HA 0.016 4.356 4.340 -0.000 0.000 0.209 290 L C 2.689 179.381 176.870 -0.297 0.000 1.094 290 L CA 1.154 55.852 54.840 -0.236 0.000 0.763 290 L CB -0.353 41.579 42.059 -0.211 0.000 0.908 290 L HN 0.334 nan 8.230 nan 0.000 0.437 291 E N 0.580 120.466 120.200 -0.523 0.000 2.051 291 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 291 E C 2.287 178.840 176.600 -0.078 0.000 0.991 291 E CA 1.292 57.524 56.400 -0.280 0.000 0.799 291 E CB -0.015 29.525 29.700 -0.267 0.000 0.748 291 E HN 0.457 nan 8.360 nan 0.000 0.449 292 A N 0.190 122.958 122.820 -0.087 0.000 1.933 292 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 292 A C 2.368 179.934 177.584 -0.030 0.000 1.175 292 A CA 1.436 53.451 52.037 -0.038 0.000 0.628 292 A CB -0.520 18.465 19.000 -0.024 0.000 0.814 292 A HN 0.223 nan 8.150 nan 0.000 0.444 293 V N 0.519 120.410 119.914 -0.038 0.000 2.379 293 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 293 V C 2.394 178.481 176.094 -0.011 0.000 1.044 293 V CA 2.152 64.430 62.300 -0.035 0.000 1.036 293 V CB -1.059 30.737 31.823 -0.045 0.000 0.664 293 V HN 0.680 nan 8.190 nan 0.000 0.453 294 N N 0.524 119.243 118.700 0.033 0.000 2.104 294 N HA -0.196 4.543 4.740 -0.000 0.000 0.190 294 N C 1.762 177.307 175.510 0.059 0.000 1.024 294 N CA 1.538 54.642 53.050 0.089 0.000 0.853 294 N CB -0.199 38.417 38.487 0.216 0.000 1.008 294 N HN 0.398 nan 8.380 nan 0.000 0.424 295 K N -0.308 120.117 120.400 0.041 0.000 2.209 295 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 295 K C 1.343 177.939 176.600 -0.005 0.000 1.048 295 K CA 1.259 57.561 56.287 0.024 0.000 0.940 295 K CB -0.098 32.412 32.500 0.018 0.000 0.729 295 K HN 0.262 nan 8.250 nan 0.000 0.451 296 D N 0.153 120.533 120.400 -0.033 0.000 2.110 296 D HA -0.025 4.615 4.640 -0.000 0.000 0.202 296 D C -0.251 176.009 176.300 -0.067 0.000 0.975 296 D CA 1.252 55.205 54.000 -0.078 0.000 0.839 296 D CB 0.405 41.120 40.800 -0.142 0.000 0.996 296 D HN -0.171 nan 8.370 nan 0.000 0.464 297 K N -0.432 119.941 120.400 -0.045 0.000 2.565 297 K HA 0.369 4.689 4.320 -0.000 0.000 0.251 297 K C -2.695 173.915 176.600 0.017 0.000 0.956 297 K CA -1.898 54.378 56.287 -0.018 0.000 0.809 297 K CB 2.641 35.116 32.500 -0.041 0.000 1.267 297 K HN -0.130 nan 8.250 nan 0.000 0.438 298 P HA 0.041 nan 4.420 nan 0.000 0.268 298 P C -0.013 177.326 177.300 0.065 0.000 1.205 298 P CA 0.012 63.159 63.100 0.078 0.000 0.771 298 P CB 0.766 32.535 31.700 0.115 0.000 0.858 299 L N 1.295 122.566 121.223 0.081 0.000 2.477 299 L HA 0.194 4.534 4.340 -0.000 0.000 0.220 299 L C 1.665 178.572 176.870 0.062 0.000 1.106 299 L CA 0.938 55.817 54.840 0.065 0.000 0.851 299 L CB -0.656 41.457 42.059 0.090 0.000 0.994 299 L HN 0.732 nan 8.230 nan 0.000 0.462 300 G N 0.382 109.233 108.800 0.086 0.000 2.498 300 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.251 300 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.251 300 G C 0.033 174.990 174.900 0.095 0.000 1.170 300 G CA -0.283 44.875 45.100 0.096 0.000 0.944 300 G HN 0.461 nan 8.290 nan 0.000 0.567 301 A N -0.256 122.614 122.820 0.083 0.000 2.407 301 A HA 0.740 5.060 4.320 -0.000 0.000 0.248 301 A C 0.722 178.343 177.584 0.062 0.000 1.082 301 A CA 0.792 52.866 52.037 0.061 0.000 0.785 301 A CB 0.527 19.559 19.000 0.052 0.000 1.020 301 A HN 2.338 nan 8.150 nan 0.000 0.489 302 V N -1.515 118.441 119.914 0.070 0.000 2.864 302 V HA 0.780 4.900 4.120 -0.000 0.000 0.314 302 V C 0.805 176.968 176.094 0.114 0.000 1.073 302 V CA -0.121 62.241 62.300 0.103 0.000 0.956 302 V CB 1.135 33.068 31.823 0.184 0.000 1.023 302 V HN 1.376 nan 8.190 nan 0.000 0.435 303 A N 2.474 125.334 122.820 0.066 0.000 2.014 303 A HA 0.197 4.516 4.320 -0.000 0.000 0.218 303 A C 1.087 178.727 177.584 0.094 0.000 1.163 303 A CA 0.898 52.951 52.037 0.026 0.000 0.652 303 A CB -0.433 18.472 19.000 -0.158 0.000 0.808 303 A HN 1.083 nan 8.150 nan 0.000 0.449 304 L N 0.684 121.953 121.223 0.077 0.000 2.369 304 L HA 0.209 4.549 4.340 -0.000 0.000 0.279 304 L C 1.050 177.955 176.870 0.057 0.000 1.108 304 L CA 0.142 54.994 54.840 0.021 0.000 0.852 304 L CB 0.325 42.411 42.059 0.046 0.000 1.169 304 L HN 0.256 nan 8.230 nan 0.000 0.452 305 K N 1.736 122.050 120.400 -0.143 0.000 2.044 305 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 305 K C 2.000 178.586 176.600 -0.023 0.000 1.049 305 K CA 2.069 58.208 56.287 -0.247 0.000 0.927 305 K CB -0.146 32.106 32.500 -0.413 0.000 0.713 305 K HN 0.935 nan 8.250 nan 0.000 0.443 306 S N 0.297 115.997 115.700 0.001 0.000 2.348 306 S HA -0.220 4.250 4.470 -0.000 0.000 0.221 306 S C 2.076 176.753 174.600 0.127 0.000 1.033 306 S CA 1.145 59.376 58.200 0.052 0.000 1.010 306 S CB -0.748 62.480 63.200 0.046 0.000 0.891 306 S HN 0.376 nan 8.310 nan 0.000 0.442 307 Y N 2.540 122.852 120.300 0.020 0.000 2.457 307 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 307 Y C 2.390 178.327 175.900 0.062 0.000 1.125 307 Y CA 1.192 59.313 58.100 0.035 0.000 1.254 307 Y CB -0.451 38.026 38.460 0.028 0.000 1.012 307 Y HN 0.370 nan 8.280 nan 0.000 0.555 308 E N 0.788 121.023 120.200 0.057 0.000 2.110 308 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 308 E C 1.791 178.389 176.600 -0.003 0.000 0.988 308 E CA 1.926 58.346 56.400 0.034 0.000 0.804 308 E CB -0.234 29.625 29.700 0.265 0.000 0.745 308 E HN 0.604 nan 8.360 nan 0.000 0.458 309 E N -0.038 120.184 120.200 0.036 0.000 2.204 309 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 309 E C 1.854 178.437 176.600 -0.027 0.000 0.989 309 E CA 0.860 57.274 56.400 0.024 0.000 0.824 309 E CB -0.023 29.702 29.700 0.042 0.000 0.756 309 E HN 0.403 nan 8.360 nan 0.000 0.477 310 E N 0.542 120.698 120.200 -0.073 0.000 2.158 310 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 310 E C 1.943 178.442 176.600 -0.169 0.000 0.982 310 E CA 0.344 56.686 56.400 -0.097 0.000 0.823 310 E CB 0.187 29.853 29.700 -0.057 0.000 0.766 310 E HN 0.232 nan 8.360 nan 0.000 0.468 311 L N 0.230 121.284 121.223 -0.280 0.000 2.313 311 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 311 L C 2.322 179.128 176.870 -0.106 0.000 1.119 311 L CA 0.594 55.294 54.840 -0.234 0.000 0.809 311 L CB -0.139 41.735 42.059 -0.309 0.000 0.933 311 L HN 0.139 nan 8.230 nan 0.000 0.449 312 A N -0.482 122.293 122.820 -0.074 0.000 2.209 312 A HA -0.105 4.215 4.320 -0.000 0.000 0.212 312 A C 2.034 179.595 177.584 -0.040 0.000 1.158 312 A CA 0.781 52.797 52.037 -0.036 0.000 0.742 312 A CB -0.204 18.792 19.000 -0.006 0.000 0.790 312 A HN 0.164 nan 8.150 nan 0.000 0.472 313 K N 0.812 121.182 120.400 -0.050 0.000 2.147 313 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 313 K C 0.200 176.762 176.600 -0.062 0.000 1.049 313 K CA 0.501 56.759 56.287 -0.049 0.000 0.936 313 K CB -0.420 32.053 32.500 -0.045 0.000 0.722 313 K HN 0.472 nan 8.250 nan 0.000 0.446 314 D N 1.854 122.212 120.400 -0.071 0.000 2.339 314 D HA 0.021 4.661 4.640 -0.000 0.000 0.256 314 D C -1.579 174.663 176.300 -0.097 0.000 1.214 314 D CA -2.080 51.862 54.000 -0.097 0.000 0.877 314 D CB 1.379 42.123 40.800 -0.093 0.000 1.111 314 D HN -0.075 nan 8.370 nan 0.000 0.478 315 P HA -0.099 nan 4.420 nan 0.000 0.223 315 P C 1.104 178.340 177.300 -0.108 0.000 1.151 315 P CA 0.741 63.782 63.100 -0.099 0.000 0.787 315 P CB 0.487 32.122 31.700 -0.108 0.000 0.788 316 R N -0.143 120.236 120.500 -0.201 0.000 2.073 316 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 316 R C 2.565 178.869 176.300 0.007 0.000 1.134 316 R CA 1.285 57.229 56.100 -0.260 0.000 0.952 316 R CB -0.942 28.890 30.300 -0.779 0.000 0.850 316 R HN 0.230 nan 8.270 nan 0.000 0.433 317 I N 0.780 121.372 120.570 0.037 0.000 2.315 317 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 317 I C 2.546 178.702 176.117 0.066 0.000 1.117 317 I CA 1.071 62.451 61.300 0.133 0.000 1.404 317 I CB -0.353 37.696 38.000 0.082 0.000 1.071 317 I HN 0.192 nan 8.210 nan 0.000 0.419 318 A N 0.520 123.349 122.820 0.015 0.000 2.070 318 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 318 A C 2.405 179.995 177.584 0.009 0.000 1.159 318 A CA 1.782 53.821 52.037 0.003 0.000 0.656 318 A CB -0.521 18.472 19.000 -0.013 0.000 0.800 318 A HN 0.447 nan 8.150 nan 0.000 0.453 319 A N -1.658 121.178 122.820 0.027 0.000 1.997 319 A HA 0.123 4.443 4.320 -0.000 0.000 0.212 319 A C 2.169 179.786 177.584 0.055 0.000 1.178 319 A CA 1.585 53.641 52.037 0.033 0.000 0.698 319 A CB -0.771 18.251 19.000 0.037 0.000 0.842 319 A HN 0.352 nan 8.150 nan 0.000 0.458 320 T N 0.107 114.724 114.554 0.106 0.000 2.746 320 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 320 T C 1.912 176.643 174.700 0.052 0.000 1.039 320 T CA 1.995 64.161 62.100 0.110 0.000 1.142 320 T CB -0.268 68.700 68.868 0.168 0.000 0.866 320 T HN 0.390 nan 8.240 nan 0.000 0.444 321 M N 1.367 120.981 119.600 0.024 0.000 2.175 321 M HA 0.041 4.520 4.480 -0.000 0.000 0.264 321 M C 2.044 178.294 176.300 -0.083 0.000 1.063 321 M CA 1.480 56.758 55.300 -0.036 0.000 1.119 321 M CB -0.421 32.134 32.600 -0.075 0.000 1.377 321 M HN 0.205 nan 8.290 nan 0.000 0.415 322 E N -0.757 119.412 120.200 -0.052 0.000 2.152 322 E HA -0.174 4.175 4.350 -0.000 0.000 0.192 322 E C 1.533 178.091 176.600 -0.069 0.000 0.983 322 E CA 0.925 57.287 56.400 -0.063 0.000 0.818 322 E CB 0.019 29.699 29.700 -0.033 0.000 0.758 322 E HN 0.558 nan 8.360 nan 0.000 0.467 323 N N 0.450 119.128 118.700 -0.036 0.000 2.171 323 N HA -0.097 4.642 4.740 -0.000 0.000 0.184 323 N C 1.700 177.179 175.510 -0.052 0.000 1.021 323 N CA 1.144 54.179 53.050 -0.023 0.000 0.854 323 N CB -0.208 38.291 38.487 0.019 0.000 0.994 323 N HN 0.165 nan 8.380 nan 0.000 0.426 324 A N 1.204 123.987 122.820 -0.063 0.000 1.933 324 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 324 A C 2.092 179.457 177.584 -0.364 0.000 1.175 324 A CA 1.172 53.149 52.037 -0.100 0.000 0.628 324 A CB -0.483 18.519 19.000 0.003 0.000 0.814 324 A HN 0.322 nan 8.150 nan 0.000 0.444 325 Q N -0.763 118.761 119.800 -0.460 0.000 2.297 325 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 325 Q C 1.479 177.265 176.000 -0.357 0.000 0.962 325 Q CA 1.227 56.640 55.803 -0.650 0.000 0.879 325 Q CB -0.004 28.463 28.738 -0.452 0.000 0.947 325 Q HN 0.647 nan 8.270 nan 0.000 0.462 326 K N -0.573 119.703 120.400 -0.206 0.000 2.361 326 K HA 0.117 4.437 4.320 -0.000 0.000 0.194 326 K C 0.867 177.418 176.600 -0.081 0.000 1.032 326 K CA 0.169 56.388 56.287 -0.114 0.000 1.048 326 K CB 0.755 33.214 32.500 -0.068 0.000 0.842 326 K HN 0.071 nan 8.250 nan 0.000 0.526 327 G N 1.180 109.927 108.800 -0.088 0.000 2.508 327 G HA2 0.079 4.039 3.960 -0.000 0.000 0.278 327 G HA3 0.079 4.039 3.960 -0.000 0.000 0.278 327 G C -1.090 173.811 174.900 0.001 0.000 1.389 327 G CA -0.365 44.718 45.100 -0.028 0.000 1.050 327 G HN 0.094 nan 8.290 nan 0.000 0.522 328 E N -0.800 119.431 120.200 0.051 0.000 2.158 328 E HA 0.358 4.708 4.350 -0.000 0.000 0.271 328 E C -0.382 176.378 176.600 0.267 0.000 0.911 328 E CA -0.617 55.856 56.400 0.122 0.000 0.767 328 E CB 1.085 30.835 29.700 0.084 0.000 1.120 328 E HN 0.274 nan 8.360 nan 0.000 0.405 329 I N 4.756 125.472 120.570 0.243 0.000 2.517 329 I HA 0.032 4.202 4.170 -0.000 0.000 0.285 329 I C 0.906 177.276 176.117 0.421 0.000 1.106 329 I CA 0.281 61.755 61.300 0.290 0.000 1.402 329 I CB 0.449 38.533 38.000 0.141 0.000 1.399 329 I HN 0.539 nan 8.210 nan 0.000 0.535 330 M N 9.088 128.991 119.600 0.504 0.000 2.303 330 M HA 0.164 4.643 4.480 -0.000 0.000 0.350 330 M C -2.195 174.175 176.300 0.116 0.000 1.518 330 M CA -1.232 54.222 55.300 0.258 0.000 1.070 330 M CB 0.426 33.094 32.600 0.113 0.000 1.910 330 M HN 0.213 nan 8.290 nan 0.000 0.458 331 P HA -0.003 nan 4.420 nan 0.000 0.265 331 P C -0.661 176.472 177.300 -0.278 0.000 1.193 331 P CA 0.206 63.031 63.100 -0.458 0.000 0.765 331 P CB 0.336 31.580 31.700 -0.759 0.000 0.823 332 N N 2.604 121.230 118.700 -0.123 0.000 2.336 332 N HA 0.013 4.753 4.740 -0.000 0.000 0.189 332 N C 0.517 176.035 175.510 0.012 0.000 1.113 332 N CA 0.047 53.086 53.050 -0.020 0.000 0.858 332 N CB -0.780 37.809 38.487 0.170 0.000 0.970 332 N HN 0.399 nan 8.380 nan 0.000 0.471 333 I N -2.769 117.732 120.570 -0.116 0.000 2.720 333 I HA 0.311 4.480 4.170 -0.000 0.000 0.287 333 I C -1.327 174.714 176.117 -0.125 0.000 1.090 333 I CA -1.894 59.351 61.300 -0.091 0.000 1.384 333 I CB 0.545 38.383 38.000 -0.270 0.000 1.420 333 I HN -0.270 nan 8.210 nan 0.000 0.575 334 P HA -0.115 nan 4.420 nan 0.000 0.226 334 P C 1.021 178.280 177.300 -0.068 0.000 1.153 334 P CA 1.152 64.224 63.100 -0.048 0.000 0.777 334 P CB 0.135 31.829 31.700 -0.010 0.000 0.794 335 Q N -1.370 118.335 119.800 -0.160 0.000 2.500 335 Q HA 0.001 4.340 4.340 -0.000 0.000 0.213 335 Q C 1.977 178.000 176.000 0.038 0.000 0.974 335 Q CA 0.797 56.528 55.803 -0.119 0.000 0.918 335 Q CB -0.659 27.869 28.738 -0.349 0.000 0.980 335 Q HN 0.137 nan 8.270 nan 0.000 0.505 336 M N -0.875 118.689 119.600 -0.061 0.000 2.419 336 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 336 M C 1.494 177.757 176.300 -0.062 0.000 1.082 336 M CA 1.018 56.261 55.300 -0.096 0.000 1.119 336 M CB 0.091 32.535 32.600 -0.259 0.000 1.398 336 M HN 0.030 nan 8.290 nan 0.000 0.453 337 S N 0.380 116.122 115.700 0.070 0.000 2.359 337 S HA -0.122 4.347 4.470 -0.000 0.000 0.224 337 S C 2.067 176.782 174.600 0.193 0.000 1.035 337 S CA 1.383 59.684 58.200 0.168 0.000 1.018 337 S CB -0.811 62.448 63.200 0.097 0.000 0.876 337 S HN 0.652 nan 8.310 nan 0.000 0.448 338 A N 0.768 123.685 122.820 0.162 0.000 1.969 338 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 338 A C 1.869 179.556 177.584 0.171 0.000 1.169 338 A CA 0.986 53.135 52.037 0.187 0.000 0.635 338 A CB -0.799 18.302 19.000 0.168 0.000 0.810 338 A HN 0.460 nan 8.150 nan 0.000 0.445 339 F N -0.736 119.186 119.950 -0.046 0.000 2.095 339 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 339 F C 2.059 177.752 175.800 -0.179 0.000 1.104 339 F CA 1.927 59.790 58.000 -0.229 0.000 1.232 339 F CB -0.355 38.348 39.000 -0.495 0.000 0.987 339 F HN 0.432 nan 8.300 nan 0.000 0.475 340 W N -1.355 120.039 121.300 0.157 0.000 2.335 340 W HA -0.259 4.401 4.660 -0.000 0.000 0.311 340 W C 2.476 179.030 176.519 0.058 0.000 1.213 340 W CA 1.418 58.805 57.345 0.070 0.000 1.274 340 W CB -0.993 28.508 29.460 0.068 0.000 1.148 340 W HN 0.116 nan 8.180 nan 0.000 0.498 341 Y N 0.564 120.974 120.300 0.184 0.000 2.242 341 Y HA -0.165 4.385 4.550 -0.001 0.000 0.291 341 Y C 2.374 178.285 175.900 0.018 0.000 1.137 341 Y CA 1.424 59.577 58.100 0.089 0.000 1.181 341 Y CB -0.320 38.183 38.460 0.073 0.000 0.989 341 Y HN -0.077 nan 8.280 nan 0.000 0.527 342 A N -0.890 121.877 122.820 -0.089 0.000 1.897 342 A HA -0.099 4.220 4.320 -0.000 0.000 0.215 342 A C 2.136 179.583 177.584 -0.229 0.000 1.181 342 A CA 1.655 53.561 52.037 -0.218 0.000 0.620 342 A CB -1.024 17.873 19.000 -0.172 0.000 0.821 342 A HN 0.298 nan 8.150 nan 0.000 0.443 343 V N -0.012 119.748 119.914 -0.257 0.000 2.591 343 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 343 V C 2.555 178.625 176.094 -0.040 0.000 1.053 343 V CA 1.945 64.127 62.300 -0.197 0.000 1.068 343 V CB -0.801 30.814 31.823 -0.347 0.000 0.689 343 V HN 0.693 nan 8.190 nan 0.000 0.462 344 R N 0.581 121.088 120.500 0.012 0.000 2.083 344 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 344 R C 2.254 178.541 176.300 -0.023 0.000 1.137 344 R CA 2.423 58.553 56.100 0.049 0.000 0.951 344 R CB -0.729 29.633 30.300 0.104 0.000 0.851 344 R HN 0.472 nan 8.270 nan 0.000 0.434 345 T N 0.447 114.928 114.554 -0.121 0.000 2.737 345 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 345 T C 1.866 176.510 174.700 -0.093 0.000 1.038 345 T CA 1.293 63.308 62.100 -0.141 0.000 1.144 345 T CB -0.498 68.212 68.868 -0.264 0.000 0.866 345 T HN 0.472 nan 8.240 nan 0.000 0.434 346 A N 1.086 123.846 122.820 -0.100 0.000 1.927 346 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 346 A C 2.580 180.140 177.584 -0.039 0.000 1.185 346 A CA 1.819 53.813 52.037 -0.072 0.000 0.639 346 A CB -1.159 17.793 19.000 -0.081 0.000 0.820 346 A HN 0.368 nan 8.150 nan 0.000 0.451 347 V N -0.602 119.302 119.914 -0.016 0.000 2.323 347 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 347 V C 2.364 178.456 176.094 -0.002 0.000 1.041 347 V CA 1.884 64.186 62.300 0.003 0.000 1.025 347 V CB -0.655 31.193 31.823 0.042 0.000 0.656 347 V HN 0.499 nan 8.190 nan 0.000 0.451 348 I N 0.769 121.337 120.570 -0.003 0.000 2.286 348 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 348 I C 2.194 178.303 176.117 -0.013 0.000 1.115 348 I CA 1.379 62.677 61.300 -0.003 0.000 1.392 348 I CB -0.694 37.306 38.000 0.001 0.000 1.065 348 I HN 0.296 nan 8.210 nan 0.000 0.418 349 N N 0.508 119.193 118.700 -0.025 0.000 2.106 349 N HA -0.060 4.679 4.740 -0.000 0.000 0.188 349 N C 1.934 177.430 175.510 -0.024 0.000 1.029 349 N CA 1.568 54.602 53.050 -0.027 0.000 0.848 349 N CB -0.479 37.985 38.487 -0.038 0.000 1.007 349 N HN 0.368 nan 8.380 nan 0.000 0.423 350 A N 0.587 123.392 122.820 -0.025 0.000 1.930 350 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 350 A C 2.258 179.827 177.584 -0.024 0.000 1.175 350 A CA 1.791 53.813 52.037 -0.025 0.000 0.627 350 A CB -0.673 18.311 19.000 -0.028 0.000 0.815 350 A HN 0.312 nan 8.150 nan 0.000 0.443 351 A N 0.199 123.007 122.820 -0.020 0.000 1.929 351 A HA -0.001 4.318 4.320 -0.000 0.000 0.216 351 A C 2.378 179.952 177.584 -0.016 0.000 1.176 351 A CA 1.884 53.910 52.037 -0.018 0.000 0.628 351 A CB -0.763 18.231 19.000 -0.010 0.000 0.816 351 A HN 0.922 nan 8.150 nan 0.000 0.444 352 S N -1.859 113.833 115.700 -0.013 0.000 2.522 352 S HA 0.328 4.798 4.470 -0.000 0.000 0.227 352 S C 1.535 176.126 174.600 -0.014 0.000 0.986 352 S CA 1.131 59.324 58.200 -0.012 0.000 0.929 352 S CB -0.310 62.885 63.200 -0.008 0.000 0.769 352 S HN 1.872 nan 8.310 nan 0.000 0.529 353 G N 1.595 110.385 108.800 -0.017 0.000 2.179 353 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 353 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 353 G C 0.974 175.865 174.900 -0.016 0.000 0.977 353 G CA 0.258 45.348 45.100 -0.017 0.000 0.641 353 G HN 0.365 nan 8.290 nan 0.000 0.533 354 R N 0.328 120.818 120.500 -0.015 0.000 2.241 354 R HA 0.104 4.443 4.340 -0.000 0.000 0.224 354 R C 1.110 177.400 176.300 -0.017 0.000 1.101 354 R CA 1.498 57.589 56.100 -0.015 0.000 0.995 354 R CB -0.145 30.145 30.300 -0.015 0.000 0.870 354 R HN 0.713 nan 8.270 nan 0.000 0.463 355 Q N -1.430 118.359 119.800 -0.019 0.000 2.472 355 Q HA 0.155 4.494 4.340 -0.000 0.000 0.281 355 Q C -1.051 174.937 176.000 -0.020 0.000 0.997 355 Q CA -0.446 55.345 55.803 -0.020 0.000 0.828 355 Q CB 2.069 30.792 28.738 -0.025 0.000 1.443 355 Q HN 0.151 nan 8.270 nan 0.000 0.390 356 T N -2.152 112.391 114.554 -0.019 0.000 2.816 356 T HA 0.267 4.617 4.350 -0.000 0.000 0.282 356 T C 1.221 175.908 174.700 -0.021 0.000 0.993 356 T CA -0.467 61.622 62.100 -0.018 0.000 0.994 356 T CB 0.711 69.570 68.868 -0.014 0.000 1.025 356 T HN 0.349 nan 8.240 nan 0.000 0.529 357 V N 1.440 121.342 119.914 -0.020 0.000 2.343 357 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 357 V C 2.378 178.459 176.094 -0.023 0.000 1.051 357 V CA 2.217 64.503 62.300 -0.023 0.000 1.036 357 V CB -1.105 30.706 31.823 -0.020 0.000 0.654 357 V HN 0.891 nan 8.190 nan 0.000 0.451 358 D N 0.777 121.167 120.400 -0.017 0.000 2.144 358 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 358 D C 2.112 178.401 176.300 -0.019 0.000 0.984 358 D CA 1.511 55.502 54.000 -0.016 0.000 0.834 358 D CB -0.297 40.497 40.800 -0.010 0.000 0.955 358 D HN 0.473 nan 8.370 nan 0.000 0.465 359 A N 0.766 123.574 122.820 -0.020 0.000 1.874 359 A HA 0.213 4.532 4.320 -0.000 0.000 0.214 359 A C 2.248 179.815 177.584 -0.029 0.000 1.189 359 A CA 1.435 53.459 52.037 -0.021 0.000 0.615 359 A CB -0.867 18.122 19.000 -0.019 0.000 0.830 359 A HN 0.209 nan 8.150 nan 0.000 0.443 360 A N -0.347 122.454 122.820 -0.033 0.000 1.972 360 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 360 A C 2.153 179.707 177.584 -0.051 0.000 1.169 360 A CA 1.452 53.464 52.037 -0.043 0.000 0.635 360 A CB -0.509 18.466 19.000 -0.041 0.000 0.810 360 A HN 0.464 nan 8.150 nan 0.000 0.446 361 L N -1.253 119.943 121.223 -0.044 0.000 2.068 361 L HA -0.071 4.269 4.340 -0.000 0.000 0.204 361 L C 2.999 179.840 176.870 -0.049 0.000 1.076 361 L CA 0.936 55.746 54.840 -0.050 0.000 0.753 361 L CB -0.472 41.561 42.059 -0.043 0.000 0.910 361 L HN 0.407 nan 8.230 nan 0.000 0.439 362 A N -0.152 122.646 122.820 -0.036 0.000 2.121 362 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 362 A C 2.411 179.978 177.584 -0.029 0.000 1.154 362 A CA 1.385 53.405 52.037 -0.028 0.000 0.679 362 A CB -0.416 18.573 19.000 -0.019 0.000 0.795 362 A HN 0.403 nan 8.150 nan 0.000 0.458 363 A N -0.082 122.716 122.820 -0.037 0.000 1.897 363 A HA 0.283 4.603 4.320 -0.000 0.000 0.215 363 A C 2.465 180.017 177.584 -0.053 0.000 1.181 363 A CA 1.591 53.605 52.037 -0.040 0.000 0.620 363 A CB -0.923 18.050 19.000 -0.045 0.000 0.821 363 A HN 0.941 nan 8.150 nan 0.000 0.443 364 A N -1.171 121.604 122.820 -0.075 0.000 1.933 364 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 364 A C 2.145 179.676 177.584 -0.089 0.000 1.175 364 A CA 1.603 53.576 52.037 -0.107 0.000 0.628 364 A CB -0.495 18.417 19.000 -0.146 0.000 0.814 364 A HN 0.539 nan 8.150 nan 0.000 0.444 365 Q N -0.554 119.208 119.800 -0.064 0.000 2.224 365 Q HA -0.133 4.206 4.340 -0.000 0.000 0.203 365 Q C 2.162 178.160 176.000 -0.003 0.000 0.970 365 Q CA 1.922 57.703 55.803 -0.036 0.000 0.865 365 Q CB -0.118 28.603 28.738 -0.029 0.000 0.922 365 Q HN 0.875 nan 8.270 nan 0.000 0.445 366 T N -2.587 111.964 114.554 -0.006 0.000 3.031 366 T HA 0.045 4.395 4.350 -0.000 0.000 0.254 366 T C 1.425 176.135 174.700 0.016 0.000 1.060 366 T CA 0.480 62.586 62.100 0.011 0.000 1.135 366 T CB -0.000 68.873 68.868 0.008 0.000 0.896 366 T HN 0.049 nan 8.240 nan 0.000 0.472 367 N N 2.235 120.933 118.700 -0.003 0.000 2.171 367 N HA 0.179 4.919 4.740 -0.000 0.000 0.184 367 N C 2.251 177.780 175.510 0.032 0.000 1.021 367 N CA 1.513 54.566 53.050 0.004 0.000 0.854 367 N CB -0.789 37.677 38.487 -0.035 0.000 0.994 367 N HN 0.579 nan 8.380 nan 0.000 0.426 368 A N 0.733 123.563 122.820 0.017 0.000 1.933 368 A HA 0.003 4.322 4.320 -0.000 0.000 0.218 368 A C 2.263 179.919 177.584 0.120 0.000 1.175 368 A CA 1.946 54.020 52.037 0.063 0.000 0.628 368 A CB -0.730 18.285 19.000 0.024 0.000 0.814 368 A HN 0.319 nan 8.150 nan 0.000 0.444 369 A N -0.478 122.405 122.820 0.105 0.000 1.968 369 A HA 0.309 4.629 4.320 -0.000 0.000 0.217 369 A C 2.407 180.044 177.584 0.087 0.000 1.169 369 A CA 1.595 53.700 52.037 0.114 0.000 0.638 369 A CB -0.756 18.305 19.000 0.102 0.000 0.812 369 A HN 0.969 nan 8.150 nan 0.000 0.446 370 A N -0.510 122.353 122.820 0.072 0.000 1.969 370 A HA -0.027 4.292 4.320 -0.000 0.000 0.218 370 A C 2.182 179.809 177.584 0.071 0.000 1.169 370 A CA 1.581 53.656 52.037 0.063 0.000 0.635 370 A CB -0.436 18.595 19.000 0.052 0.000 0.810 370 A HN 0.498 nan 8.150 nan 0.000 0.445 371 M N -0.939 118.714 119.600 0.088 0.000 2.334 371 M HA 0.024 4.504 4.480 -0.000 0.000 0.266 371 M C 2.534 178.883 176.300 0.083 0.000 1.082 371 M CA 1.105 56.462 55.300 0.095 0.000 1.141 371 M CB -0.624 32.056 32.600 0.133 0.000 1.380 371 M HN 0.449 nan 8.290 nan 0.000 0.440 372 A N 1.356 124.231 122.820 0.092 0.000 1.883 372 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 372 A C 2.300 179.918 177.584 0.056 0.000 1.186 372 A CA 2.532 54.616 52.037 0.078 0.000 0.624 372 A CB -1.311 17.748 19.000 0.099 0.000 0.822 372 A HN 0.585 nan 8.150 nan 0.000 0.444 373 T N -1.586 113.003 114.554 0.058 0.000 2.915 373 T HA 0.011 4.361 4.350 -0.000 0.000 0.269 373 T C 1.803 176.531 174.700 0.046 0.000 1.071 373 T CA 1.192 63.320 62.100 0.047 0.000 1.132 373 T CB -0.370 68.526 68.868 0.047 0.000 0.878 373 T HN 0.276 nan 8.240 nan 0.000 0.479 374 L N 1.017 122.270 121.223 0.050 0.000 2.072 374 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 374 L C 3.211 180.107 176.870 0.044 0.000 1.079 374 L CA 1.648 56.517 54.840 0.048 0.000 0.752 374 L CB -0.518 41.570 42.059 0.048 0.000 0.906 374 L HN 0.404 nan 8.230 nan 0.000 0.436 375 E N 1.261 121.486 120.200 0.041 0.000 2.097 375 E HA -0.338 4.012 4.350 -0.000 0.000 0.196 375 E C 1.996 178.616 176.600 0.034 0.000 1.000 375 E CA 1.845 58.265 56.400 0.033 0.000 0.804 375 E CB -0.118 29.601 29.700 0.032 0.000 0.740 375 E HN 0.392 nan 8.360 nan 0.000 0.454 376 K N 0.110 120.531 120.400 0.035 0.000 2.097 376 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 376 K C 2.422 179.046 176.600 0.041 0.000 1.050 376 K CA 0.959 57.266 56.287 0.034 0.000 0.938 376 K CB -0.043 32.475 32.500 0.030 0.000 0.718 376 K HN 0.195 nan 8.250 nan 0.000 0.442 377 L N 0.378 121.630 121.223 0.048 0.000 2.478 377 L HA -0.048 4.292 4.340 -0.000 0.000 0.223 377 L C 2.099 179.024 176.870 0.092 0.000 1.140 377 L CA 0.014 54.892 54.840 0.062 0.000 0.842 377 L CB -0.031 42.066 42.059 0.062 0.000 0.953 377 L HN 0.222 nan 8.230 nan 0.000 0.452 378 M N -0.712 118.932 119.600 0.073 0.000 2.357 378 M HA -0.055 4.425 4.480 -0.000 0.000 0.266 378 M C 1.938 178.285 176.300 0.078 0.000 1.095 378 M CA 1.258 56.603 55.300 0.076 0.000 1.156 378 M CB -0.539 32.080 32.600 0.033 0.000 1.365 378 M HN -0.104 nan 8.290 nan 0.000 0.447 379 K N 0.239 120.673 120.400 0.057 0.000 2.616 379 K HA 0.100 4.420 4.320 -0.000 0.000 0.192 379 K C 1.443 178.080 176.600 0.061 0.000 1.031 379 K CA 0.614 56.932 56.287 0.051 0.000 1.004 379 K CB -0.005 32.516 32.500 0.035 0.000 0.810 379 K HN 0.279 nan 8.250 nan 0.000 0.497 380 A N -0.556 122.313 122.820 0.081 0.000 1.944 380 A HA 0.064 4.384 4.320 -0.000 0.000 0.209 380 A C 1.690 179.331 177.584 0.096 0.000 1.328 380 A CA -0.001 52.075 52.037 0.065 0.000 0.693 380 A CB -0.640 18.387 19.000 0.044 0.000 0.994 380 A HN 0.290 nan 8.150 nan 0.000 0.485 381 F N 1.714 121.660 119.950 -0.006 0.000 2.091 381 F HA -0.196 4.331 4.527 0.000 0.000 0.299 381 F C 2.389 178.187 175.800 -0.004 0.000 1.103 381 F CA 2.086 60.080 58.000 -0.011 0.000 1.228 381 F CB -0.136 38.858 39.000 -0.010 0.000 0.984 381 F HN 0.510 nan 8.300 nan 0.000 0.477 382 E N -1.070 119.294 120.200 0.274 0.000 2.106 382 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 382 E C 2.078 178.750 176.600 0.119 0.000 0.984 382 E CA 1.498 57.994 56.400 0.160 0.000 0.806 382 E CB -0.321 29.428 29.700 0.082 0.000 0.750 382 E HN 0.324 nan 8.360 nan 0.000 0.458 383 S N 0.530 116.287 115.700 0.096 0.000 2.461 383 S HA 0.052 4.521 4.470 -0.000 0.000 0.228 383 S C 1.665 176.304 174.600 0.065 0.000 1.005 383 S CA 0.148 58.387 58.200 0.065 0.000 0.942 383 S CB 0.042 63.269 63.200 0.045 0.000 0.776 383 S HN 0.302 nan 8.310 nan 0.000 0.514 384 L N 0.749 122.003 121.223 0.052 0.000 2.395 384 L HA 0.139 4.479 4.340 -0.000 0.000 0.218 384 L C 1.583 178.503 176.870 0.083 0.000 1.130 384 L CA 1.211 56.057 54.840 0.010 0.000 0.826 384 L CB -0.529 41.453 42.059 -0.129 0.000 0.941 384 L HN 0.126 nan 8.230 nan 0.000 0.451 385 K N -0.885 119.596 120.400 0.136 0.000 2.459 385 K HA 0.031 4.351 4.320 -0.000 0.000 0.193 385 K C 2.065 178.757 176.600 0.152 0.000 1.030 385 K CA 0.196 56.585 56.287 0.169 0.000 1.026 385 K CB -0.063 32.538 32.500 0.169 0.000 0.809 385 K HN -0.027 nan 8.250 nan 0.000 0.504 386 S N -0.253 115.524 115.700 0.128 0.000 2.474 386 S HA -0.097 4.373 4.470 -0.000 0.000 0.235 386 S C 1.574 176.248 174.600 0.123 0.000 0.997 386 S CA 0.511 58.768 58.200 0.095 0.000 0.949 386 S CB -0.263 62.976 63.200 0.065 0.000 0.766 386 S HN 0.411 nan 8.310 nan 0.000 0.517 387 F N 2.594 122.545 119.950 0.003 0.000 2.187 387 F HA 0.080 4.606 4.527 -0.001 0.000 0.295 387 F C 2.213 178.014 175.800 0.002 0.000 1.091 387 F CA 1.828 59.827 58.000 -0.003 0.000 1.308 387 F CB -1.070 37.925 39.000 -0.009 0.000 1.030 387 F HN 0.272 nan 8.300 nan 0.000 0.487 388 Q N 1.278 121.359 119.800 0.469 0.000 2.061 388 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 388 Q C 2.117 178.146 176.000 0.049 0.000 0.984 388 Q CA 2.615 58.577 55.803 0.264 0.000 0.846 388 Q CB -0.716 28.166 28.738 0.240 0.000 0.902 388 Q HN 0.687 nan 8.270 nan 0.000 0.421 389 Q N -0.603 119.222 119.800 0.042 0.000 2.046 389 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 389 Q C 2.177 178.144 176.000 -0.055 0.000 0.975 389 Q CA 2.667 58.468 55.803 -0.003 0.000 0.836 389 Q CB -1.167 27.576 28.738 0.010 0.000 0.896 389 Q HN 0.492 nan 8.270 nan 0.000 0.428 390 Q N 0.430 120.182 119.800 -0.080 0.000 1.961 390 Q HA -0.001 4.338 4.340 -0.000 0.000 0.197 390 Q C 2.417 178.286 176.000 -0.219 0.000 0.977 390 Q CA 2.315 58.045 55.803 -0.122 0.000 0.830 390 Q CB -1.769 26.912 28.738 -0.095 0.000 0.896 390 Q HN 0.779 nan 8.270 nan 0.000 0.437 391 Q N -0.086 119.459 119.800 -0.426 0.000 2.248 391 Q HA -0.267 4.073 4.340 -0.000 0.000 0.208 391 Q C 2.085 177.854 176.000 -0.385 0.000 0.984 391 Q CA 2.128 57.574 55.803 -0.595 0.000 0.875 391 Q CB -0.584 27.283 28.738 -1.452 0.000 0.910 391 Q HN 0.750 nan 8.270 nan 0.000 0.433 392 Q N -0.314 119.316 119.800 -0.283 0.000 2.079 392 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 392 Q C 2.127 178.066 176.000 -0.103 0.000 0.974 392 Q CA 1.865 57.585 55.803 -0.138 0.000 0.840 392 Q CB -0.103 28.594 28.738 -0.069 0.000 0.898 392 Q HN 0.844 nan 8.270 nan 0.000 0.430 393 Q N -0.274 119.464 119.800 -0.102 0.000 2.016 393 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 393 Q C 1.786 177.740 176.000 -0.075 0.000 0.978 393 Q CA 1.426 57.184 55.803 -0.074 0.000 0.833 393 Q CB 0.044 28.744 28.738 -0.063 0.000 0.895 393 Q HN 0.508 nan 8.270 nan 0.000 0.427 394 Q N -0.396 119.347 119.800 -0.095 0.000 2.500 394 Q HA -0.184 4.156 4.340 -0.000 0.000 0.213 394 Q C 1.299 177.253 176.000 -0.076 0.000 0.974 394 Q CA 0.946 56.699 55.803 -0.082 0.000 0.918 394 Q CB 0.065 28.750 28.738 -0.089 0.000 0.980 394 Q HN 0.245 nan 8.270 nan 0.000 0.505 395 Q N 1.193 120.943 119.800 -0.084 0.000 2.297 395 Q HA -0.040 4.299 4.340 -0.000 0.000 0.203 395 Q C 2.008 177.980 176.000 -0.046 0.000 0.931 395 Q CA 1.387 57.151 55.803 -0.064 0.000 0.885 395 Q CB 0.279 28.975 28.738 -0.070 0.000 0.991 395 Q HN 0.669 nan 8.270 nan 0.000 0.498 396 Q N -0.768 119.004 119.800 -0.047 0.000 2.331 396 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 396 Q C 1.239 177.220 176.000 -0.032 0.000 0.944 396 Q CA 0.854 56.636 55.803 -0.035 0.000 0.892 396 Q CB -0.094 28.625 28.738 -0.032 0.000 0.983 396 Q HN 0.366 nan 8.270 nan 0.000 0.482 397 Q N 0.238 120.015 119.800 -0.037 0.000 2.488 397 Q HA -0.071 4.269 4.340 -0.000 0.000 0.211 397 Q C 1.382 177.364 176.000 -0.030 0.000 0.967 397 Q CA 1.029 56.813 55.803 -0.033 0.000 0.926 397 Q CB 0.250 28.966 28.738 -0.037 0.000 0.992 397 Q HN 0.446 nan 8.270 nan 0.000 0.506 398 Q N -1.101 118.681 119.800 -0.031 0.000 2.431 398 Q HA -0.001 4.339 4.340 -0.000 0.000 0.244 398 Q C 1.413 177.399 176.000 -0.022 0.000 0.880 398 Q CA 0.262 56.049 55.803 -0.027 0.000 0.954 398 Q CB 0.665 29.384 28.738 -0.031 0.000 1.105 398 Q HN 0.093 nan 8.270 nan 0.000 0.558 399 Q N -0.329 119.458 119.800 -0.022 0.000 2.250 399 Q HA -0.029 4.311 4.340 -0.000 0.000 0.200 399 Q C 1.568 177.558 176.000 -0.016 0.000 0.941 399 Q CA 0.956 56.748 55.803 -0.018 0.000 0.872 399 Q CB 0.270 28.998 28.738 -0.017 0.000 0.965 399 Q HN 0.253 nan 8.270 nan 0.000 0.480 400 Q N -0.131 119.658 119.800 -0.018 0.000 2.165 400 Q HA -0.105 4.235 4.340 -0.000 0.000 0.197 400 Q C 1.885 177.875 176.000 -0.016 0.000 0.952 400 Q CA 1.677 57.470 55.803 -0.016 0.000 0.848 400 Q CB 0.022 28.750 28.738 -0.018 0.000 0.931 400 Q HN 0.404 nan 8.270 nan 0.000 0.470 401 Q N 0.208 119.997 119.800 -0.018 0.000 2.369 401 Q HA -0.006 4.334 4.340 -0.000 0.000 0.206 401 Q C 1.614 177.605 176.000 -0.015 0.000 0.963 401 Q CA 1.635 57.428 55.803 -0.017 0.000 0.894 401 Q CB -0.980 27.746 28.738 -0.019 0.000 0.965 401 Q HN 0.728 nan 8.270 nan 0.000 0.475 402 Q N 0.128 119.919 119.800 -0.015 0.000 2.526 402 Q HA 0.563 4.903 4.340 -0.000 0.000 0.353 402 Q C 0.820 176.813 176.000 -0.011 0.000 0.977 402 Q CA 0.327 56.122 55.803 -0.012 0.000 1.027 402 Q CB -1.317 27.413 28.738 -0.013 0.000 1.272 402 Q HN 1.132 nan 8.270 nan 0.000 0.420 403 Q N 0.087 119.881 119.800 -0.011 0.000 3.042 403 Q HA 0.362 4.702 4.340 -0.000 0.000 0.358 403 Q C 0.605 176.600 176.000 -0.009 0.000 1.064 403 Q CA 0.970 56.767 55.803 -0.010 0.000 1.188 403 Q CB -1.665 27.067 28.738 -0.010 0.000 0.967 403 Q HN 1.481 nan 8.270 nan 0.000 0.414 404 Q N 0.000 119.795 119.800 -0.008 0.000 2.315 404 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 404 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 404 Q CB 0.000 28.734 28.738 -0.007 0.000 1.108 404 Q HN 0.000 nan 8.270 nan 0.000 0.481