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 2bz4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSQGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 1.844 122.250 120.400 0.010 0.000 2.382 2 K HA 0.400 4.720 4.320 -0.000 0.000 0.275 2 K C -0.681 175.921 176.600 0.004 0.000 1.009 2 K CA 0.087 56.377 56.287 0.006 0.000 0.970 2 K CB 0.464 32.965 32.500 0.002 0.000 0.934 2 K HN 0.567 nan 8.250 nan 0.000 0.479 3 R N 0.416 120.916 120.500 0.000 0.000 2.540 3 R HA 0.540 4.880 4.340 -0.000 0.000 0.287 3 R C -0.456 175.836 176.300 -0.013 0.000 0.980 3 R CA -0.673 55.425 56.100 -0.003 0.000 0.966 3 R CB 1.619 31.917 30.300 -0.004 0.000 1.106 3 R HN 0.653 nan 8.270 nan 0.000 0.480 4 A N 2.074 124.883 122.820 -0.018 0.000 2.343 4 A HA 0.627 4.947 4.320 -0.000 0.000 0.316 4 A C -0.490 177.073 177.584 -0.036 0.000 1.104 4 A CA -0.680 51.335 52.037 -0.036 0.000 0.768 4 A CB 1.159 20.130 19.000 -0.047 0.000 1.213 4 A HN 0.525 nan 8.150 nan 0.000 0.456 5 V N 0.063 119.951 119.914 -0.043 0.000 3.074 5 V HA 0.728 4.848 4.120 -0.000 0.000 0.314 5 V C -0.663 175.409 176.094 -0.037 0.000 1.117 5 V CA -1.097 61.182 62.300 -0.035 0.000 1.014 5 V CB 1.774 33.577 31.823 -0.035 0.000 1.057 5 V HN 0.620 nan 8.190 nan 0.000 0.438 6 I N 2.976 123.542 120.570 -0.006 0.000 2.315 6 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 6 I C 1.122 177.310 176.117 0.119 0.000 1.006 6 I CA 0.199 61.514 61.300 0.025 0.000 1.265 6 I CB 1.140 39.153 38.000 0.022 0.000 1.387 6 I HN 1.046 nan 8.210 nan 0.000 0.475 7 T N 1.110 115.721 114.554 0.095 0.000 3.040 7 T HA 0.484 4.834 4.350 -0.000 0.000 0.266 7 T C 0.527 175.367 174.700 0.233 0.000 1.005 7 T CA -0.305 61.866 62.100 0.118 0.000 0.906 7 T CB 0.514 69.396 68.868 0.024 0.000 1.082 7 T HN 0.765 nan 8.240 nan 0.000 0.531 8 G N 1.398 110.352 108.800 0.257 0.000 2.655 8 G HA2 0.553 4.513 3.960 -0.000 0.000 0.296 8 G HA3 0.553 4.513 3.960 -0.000 0.000 0.296 8 G C -2.032 172.919 174.900 0.084 0.000 1.485 8 G CA -0.936 44.310 45.100 0.244 0.000 0.869 8 G HN 0.644 nan 8.290 nan 0.000 0.540 9 L N -1.024 120.223 121.223 0.040 0.000 2.469 9 L HA 1.066 5.406 4.340 -0.000 0.000 0.256 9 L C -0.037 176.806 176.870 -0.044 0.000 1.006 9 L CA -0.901 53.892 54.840 -0.079 0.000 0.832 9 L CB 1.899 43.813 42.059 -0.242 0.000 1.421 9 L HN 1.243 nan 8.230 nan 0.000 0.410 10 G N 0.764 109.525 108.800 -0.065 0.000 2.706 10 G HA2 0.768 4.728 3.960 -0.000 0.000 0.297 10 G HA3 0.768 4.728 3.960 -0.000 0.000 0.297 10 G C -2.058 172.810 174.900 -0.053 0.000 1.403 10 G CA -0.637 44.435 45.100 -0.047 0.000 0.954 10 G HN 1.022 nan 8.290 nan 0.000 0.500 11 I N 0.618 121.171 120.570 -0.029 0.000 2.842 11 I HA 0.608 4.778 4.170 -0.000 0.000 0.297 11 I C -1.565 174.543 176.117 -0.014 0.000 1.380 11 I CA -0.950 60.331 61.300 -0.032 0.000 1.018 11 I CB 2.342 40.319 38.000 -0.038 0.000 1.311 11 I HN 0.355 nan 8.210 nan 0.000 0.439 12 V N 6.292 126.184 119.914 -0.035 0.000 2.398 12 V HA 0.559 4.679 4.120 -0.000 0.000 0.282 12 V C -0.319 175.692 176.094 -0.138 0.000 1.014 12 V CA -0.205 62.053 62.300 -0.071 0.000 0.838 12 V CB 1.286 33.073 31.823 -0.061 0.000 1.018 12 V HN 0.819 nan 8.190 nan 0.000 0.432 13 S N 2.238 117.886 115.700 -0.088 0.000 2.697 13 S HA 0.462 4.932 4.470 -0.000 0.000 0.289 13 S C 1.125 175.678 174.600 -0.078 0.000 1.149 13 S CA 0.082 58.238 58.200 -0.073 0.000 0.850 13 S CB 1.821 65.065 63.200 0.073 0.000 1.151 13 S HN 0.887 nan 8.310 nan 0.000 0.491 14 S N 0.373 116.034 115.700 -0.065 0.000 2.469 14 S HA -0.088 4.382 4.470 -0.000 0.000 0.238 14 S C 1.391 175.972 174.600 -0.031 0.000 0.998 14 S CA 1.078 59.242 58.200 -0.061 0.000 0.957 14 S CB -1.152 62.026 63.200 -0.038 0.000 0.764 14 S HN 1.027 nan 8.310 nan 0.000 0.514 15 I N -2.668 117.891 120.570 -0.019 0.000 3.974 15 I HA 0.678 4.848 4.170 -0.000 0.000 0.334 15 I C 0.546 176.652 176.117 -0.018 0.000 1.437 15 I CA -0.431 60.850 61.300 -0.031 0.000 1.113 15 I CB 0.248 38.201 38.000 -0.079 0.000 1.063 15 I HN 0.279 nan 8.210 nan 0.000 0.400 16 G N 1.047 109.843 108.800 -0.007 0.000 2.386 16 G HA2 0.054 4.014 3.960 -0.000 0.000 0.302 16 G HA3 0.054 4.014 3.960 -0.000 0.000 0.302 16 G C -0.888 174.012 174.900 -0.001 0.000 1.629 16 G CA -0.639 44.461 45.100 0.000 0.000 0.917 16 G HN 0.004 nan 8.290 nan 0.000 0.676 17 N N 0.115 118.815 118.700 -0.000 0.000 2.270 17 N HA 0.117 4.857 4.740 -0.000 0.000 0.198 17 N C 0.280 175.798 175.510 0.014 0.000 1.117 17 N CA 0.565 53.616 53.050 0.002 0.000 0.845 17 N CB 0.365 38.856 38.487 0.007 0.000 0.980 17 N HN 0.823 nan 8.380 nan 0.000 0.486 18 N N -1.754 116.957 118.700 0.018 0.000 3.185 18 N HA -0.028 4.711 4.740 -0.000 0.000 0.238 18 N C 0.383 175.913 175.510 0.032 0.000 1.451 18 N CA -0.679 52.385 53.050 0.023 0.000 0.888 18 N CB 0.518 39.019 38.487 0.022 0.000 1.413 18 N HN -0.157 nan 8.380 nan 0.000 0.511 19 Q N -1.106 118.718 119.800 0.040 0.000 2.226 19 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 19 Q C 0.772 176.800 176.000 0.047 0.000 0.975 19 Q CA 1.541 57.379 55.803 0.059 0.000 0.866 19 Q CB -0.248 28.535 28.738 0.075 0.000 0.915 19 Q HN 0.632 nan 8.270 nan 0.000 0.440 20 Q N 1.189 121.004 119.800 0.025 0.000 2.046 20 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 20 Q C 1.799 177.785 176.000 -0.025 0.000 0.975 20 Q CA 1.932 57.729 55.803 -0.009 0.000 0.836 20 Q CB 0.056 28.788 28.738 -0.009 0.000 0.896 20 Q HN 0.575 nan 8.270 nan 0.000 0.428 21 E N -0.521 119.673 120.200 -0.009 0.000 2.077 21 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 21 E C 1.968 178.558 176.600 -0.017 0.000 0.989 21 E CA 1.331 57.721 56.400 -0.016 0.000 0.800 21 E CB -0.038 29.658 29.700 -0.006 0.000 0.746 21 E HN 0.118 nan 8.360 nan 0.000 0.452 22 V N 1.569 121.490 119.914 0.012 0.000 2.343 22 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 22 V C 2.327 178.425 176.094 0.008 0.000 1.051 22 V CA 1.432 63.750 62.300 0.029 0.000 1.036 22 V CB -0.433 31.466 31.823 0.126 0.000 0.654 22 V HN 0.226 nan 8.190 nan 0.000 0.451 23 L N 1.109 122.336 121.223 0.006 0.000 2.013 23 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 23 L C 2.460 179.251 176.870 -0.131 0.000 1.073 23 L CA 2.595 57.410 54.840 -0.041 0.000 0.753 23 L CB -1.081 40.889 42.059 -0.147 0.000 0.890 23 L HN 0.230 nan 8.230 nan 0.000 0.432 24 A N -1.419 121.326 122.820 -0.125 0.000 1.883 24 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 24 A C 2.382 179.898 177.584 -0.113 0.000 1.186 24 A CA 2.169 54.125 52.037 -0.135 0.000 0.624 24 A CB -1.099 17.843 19.000 -0.097 0.000 0.822 24 A HN 0.567 nan 8.150 nan 0.000 0.444 25 S N -0.114 115.536 115.700 -0.083 0.000 2.368 25 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 25 S C 1.833 176.383 174.600 -0.083 0.000 1.030 25 S CA 1.491 59.644 58.200 -0.078 0.000 0.999 25 S CB -0.486 62.669 63.200 -0.076 0.000 0.844 25 S HN 0.500 nan 8.310 nan 0.000 0.459 26 L N 0.797 121.977 121.223 -0.072 0.000 2.017 26 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 26 L C 2.733 179.616 176.870 0.022 0.000 1.073 26 L CA 1.313 56.152 54.840 -0.002 0.000 0.745 26 L CB -0.413 41.735 42.059 0.148 0.000 0.894 26 L HN 0.212 nan 8.230 nan 0.000 0.432 27 R N -0.038 120.370 120.500 -0.153 0.000 2.115 27 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 27 R C 1.814 178.034 176.300 -0.133 0.000 1.111 27 R CA 1.148 57.083 56.100 -0.274 0.000 0.976 27 R CB -0.073 29.932 30.300 -0.493 0.000 0.870 27 R HN 0.452 nan 8.270 nan 0.000 0.445 28 E N -0.771 119.366 120.200 -0.105 0.000 2.479 28 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 28 E C 0.569 177.142 176.600 -0.045 0.000 1.049 28 E CA 0.266 56.623 56.400 -0.071 0.000 0.870 28 E CB 0.681 30.339 29.700 -0.070 0.000 0.944 28 E HN 0.444 nan 8.360 nan 0.000 0.492 29 G N 2.892 111.670 108.800 -0.038 0.000 2.249 29 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.273 29 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.273 29 G C 0.089 174.970 174.900 -0.033 0.000 1.036 29 G CA 0.498 45.581 45.100 -0.028 0.000 0.824 29 G HN 0.230 nan 8.290 nan 0.000 0.504 30 R N 0.259 120.733 120.500 -0.043 0.000 2.389 30 R HA 0.470 4.810 4.340 -0.000 0.000 0.295 30 R C 0.764 177.043 176.300 -0.034 0.000 1.075 30 R CA 0.299 56.379 56.100 -0.034 0.000 1.005 30 R CB 0.504 30.782 30.300 -0.037 0.000 0.987 30 R HN 0.266 nan 8.270 nan 0.000 0.452 31 S N 1.937 117.628 115.700 -0.016 0.000 2.565 31 S HA 0.288 4.758 4.470 -0.000 0.000 0.274 31 S C 0.817 175.420 174.600 0.006 0.000 1.309 31 S CA -0.249 57.947 58.200 -0.005 0.000 1.043 31 S CB 1.323 64.529 63.200 0.011 0.000 0.939 31 S HN 0.787 nan 8.310 nan 0.000 0.504 32 G N 3.731 112.538 108.800 0.010 0.000 3.393 32 G HA2 0.248 4.208 3.960 -0.000 0.000 0.255 32 G HA3 0.248 4.208 3.960 -0.000 0.000 0.255 32 G C 0.056 174.992 174.900 0.060 0.000 1.097 32 G CA -0.257 44.855 45.100 0.020 0.000 0.780 32 G HN 0.605 nan 8.290 nan 0.000 0.540 33 I N 2.611 123.231 120.570 0.083 0.000 2.365 33 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 33 I C 0.608 176.828 176.117 0.173 0.000 1.004 33 I CA -0.280 61.105 61.300 0.141 0.000 1.311 33 I CB 0.575 38.650 38.000 0.125 0.000 1.401 33 I HN 0.084 nan 8.210 nan 0.000 0.491 34 T N 2.582 117.292 114.554 0.260 0.000 2.865 34 T HA 0.532 4.881 4.350 -0.000 0.000 0.294 34 T C -0.540 174.313 174.700 0.255 0.000 1.119 34 T CA -0.733 61.525 62.100 0.263 0.000 1.007 34 T CB 1.791 70.827 68.868 0.280 0.000 1.225 34 T HN 0.203 nan 8.240 nan 0.000 0.515 35 F N 1.709 121.708 119.950 0.082 0.000 2.484 35 F HA 0.558 5.085 4.527 -0.000 0.000 0.360 35 F C 0.468 176.182 175.800 -0.142 0.000 1.101 35 F CA -0.198 57.794 58.000 -0.014 0.000 1.251 35 F CB 0.917 39.916 39.000 -0.002 0.000 1.132 35 F HN 0.673 nan 8.300 nan 0.000 0.570 36 S N 4.976 119.862 115.700 -1.356 0.000 2.498 36 S HA 0.191 4.661 4.470 -0.000 0.000 0.324 36 S C 0.574 174.333 174.600 -1.401 0.000 1.071 36 S CA -0.666 56.670 58.200 -1.441 0.000 1.113 36 S CB 1.226 63.107 63.200 -2.200 0.000 0.976 36 S HN 0.883 nan 8.310 nan 0.000 0.462 37 Q N 3.496 122.810 119.800 -0.810 0.000 2.119 37 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 37 Q C 1.770 177.532 176.000 -0.397 0.000 0.972 37 Q CA 2.174 57.724 55.803 -0.422 0.000 0.847 37 Q CB -0.174 28.531 28.738 -0.055 0.000 0.903 37 Q HN 0.910 nan 8.270 nan 0.000 0.433 38 E N -0.467 119.498 120.200 -0.392 0.000 2.058 38 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 38 E C 1.807 178.231 176.600 -0.293 0.000 0.997 38 E CA 1.378 57.633 56.400 -0.241 0.000 0.801 38 E CB -0.183 29.490 29.700 -0.046 0.000 0.746 38 E HN 0.459 nan 8.360 nan 0.000 0.450 39 L N 0.610 121.548 121.223 -0.476 0.000 2.046 39 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 39 L C 2.866 179.578 176.870 -0.263 0.000 1.077 39 L CA 1.421 56.091 54.840 -0.282 0.000 0.747 39 L CB -0.542 41.319 42.059 -0.329 0.000 0.896 39 L HN 0.159 nan 8.230 nan 0.000 0.432 40 K N 0.347 120.465 120.400 -0.471 0.000 2.026 40 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 40 K C 1.593 177.996 176.600 -0.329 0.000 1.048 40 K CA 1.845 57.778 56.287 -0.591 0.000 0.929 40 K CB -0.001 32.055 32.500 -0.740 0.000 0.713 40 K HN 0.232 nan 8.250 nan 0.000 0.439 41 D N 0.210 120.437 120.400 -0.288 0.000 2.264 41 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 41 D C 1.846 177.967 176.300 -0.298 0.000 0.966 41 D CA 1.311 55.167 54.000 -0.240 0.000 0.864 41 D CB -0.026 40.650 40.800 -0.207 0.000 0.933 41 D HN 0.355 nan 8.370 nan 0.000 0.499 42 S N -0.760 114.726 115.700 -0.357 0.000 2.489 42 S HA 0.144 4.614 4.470 -0.000 0.000 0.228 42 S C 1.764 176.189 174.600 -0.292 0.000 0.995 42 S CA 0.862 58.757 58.200 -0.509 0.000 0.934 42 S CB 0.204 63.096 63.200 -0.513 0.000 0.771 42 S HN 0.302 nan 8.310 nan 0.000 0.522 43 G N 0.567 109.268 108.800 -0.164 0.000 2.148 43 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.203 43 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.203 43 G C -0.028 174.876 174.900 0.005 0.000 0.993 43 G CA 0.064 45.119 45.100 -0.074 0.000 0.661 43 G HN 0.476 nan 8.290 nan 0.000 0.518 44 M N -0.573 119.050 119.600 0.038 0.000 2.202 44 M HA 0.452 4.932 4.480 -0.000 0.000 0.316 44 M C 1.820 178.204 176.300 0.139 0.000 1.138 44 M CA -0.122 55.232 55.300 0.090 0.000 1.151 44 M CB 0.642 33.304 32.600 0.104 0.000 1.422 44 M HN 0.138 nan 8.290 nan 0.000 0.471 45 R N -0.412 120.102 120.500 0.023 0.000 2.189 45 R HA 0.110 4.450 4.340 -0.000 0.000 0.203 45 R C 0.451 176.543 176.300 -0.346 0.000 1.012 45 R CA 0.197 56.225 56.100 -0.119 0.000 1.015 45 R CB 0.283 30.535 30.300 -0.079 0.000 0.938 45 R HN 0.567 nan 8.270 nan 0.000 0.472 46 S N 0.457 116.064 115.700 -0.155 0.000 2.465 46 S HA 0.120 4.590 4.470 -0.000 0.000 0.279 46 S C -0.123 174.455 174.600 -0.038 0.000 1.201 46 S CA -0.532 57.582 58.200 -0.144 0.000 1.053 46 S CB 0.318 63.480 63.200 -0.064 0.000 0.953 46 S HN 0.339 nan 8.310 nan 0.000 0.488 47 H N 2.913 121.934 119.070 -0.083 0.000 2.475 47 H HA 0.350 4.906 4.556 -0.000 0.000 0.276 47 H C -0.059 175.070 175.328 -0.331 0.000 1.126 47 H CA -0.619 55.284 56.048 -0.242 0.000 1.023 47 H CB 0.515 30.227 29.762 -0.083 0.000 1.669 47 H HN 0.457 nan 8.280 nan 0.000 0.573 48 V N -1.894 117.976 119.914 -0.075 0.000 2.962 48 V HA 0.652 4.771 4.120 -0.000 0.000 0.313 48 V C -1.384 174.778 176.094 0.113 0.000 1.099 48 V CA -0.961 61.327 62.300 -0.019 0.000 0.971 48 V CB 2.265 34.156 31.823 0.113 0.000 1.028 48 V HN 0.394 nan 8.190 nan 0.000 0.430 49 W N 0.887 122.205 121.300 0.030 0.000 3.059 49 W HA 0.820 5.479 4.660 -0.000 0.000 0.329 49 W C -0.369 176.177 176.519 0.044 0.000 1.246 49 W CA -1.692 55.676 57.345 0.039 0.000 1.190 49 W CB 0.815 30.293 29.460 0.029 0.000 1.423 49 W HN 1.055 nan 8.180 nan 0.000 0.571 50 G N 1.985 110.906 108.800 0.202 0.000 2.922 50 G HA2 0.403 4.363 3.960 -0.000 0.000 0.335 50 G HA3 0.403 4.363 3.960 -0.000 0.000 0.335 50 G C -0.492 174.298 174.900 -0.184 0.000 1.016 50 G CA -0.812 44.312 45.100 0.041 0.000 1.306 50 G HN 0.624 nan 8.290 nan 0.000 0.465 51 N N 0.037 118.538 118.700 -0.332 0.000 2.515 51 N HA 0.432 5.172 4.740 -0.000 0.000 0.279 51 N C -0.369 174.975 175.510 -0.277 0.000 1.164 51 N CA -0.885 51.853 53.050 -0.520 0.000 0.982 51 N CB 1.955 40.015 38.487 -0.712 0.000 1.170 51 N HN -0.008 nan 8.380 nan 0.000 0.474 52 V N 1.122 120.857 119.914 -0.298 0.000 2.455 52 V HA 0.066 4.186 4.120 -0.000 0.000 0.273 52 V C 0.115 176.140 176.094 -0.115 0.000 1.045 52 V CA -0.285 61.873 62.300 -0.237 0.000 0.976 52 V CB 0.510 32.099 31.823 -0.389 0.000 0.993 52 V HN 0.683 nan 8.190 nan 0.000 0.475 53 K N 5.425 125.785 120.400 -0.067 0.000 2.222 53 K HA 0.566 4.886 4.320 -0.000 0.000 0.243 53 K C -0.860 175.740 176.600 -0.000 0.000 1.160 53 K CA 0.089 56.367 56.287 -0.016 0.000 1.090 53 K CB 0.078 32.577 32.500 -0.001 0.000 1.694 53 K HN 0.475 nan 8.250 nan 0.000 0.361 54 L N 0.420 121.652 121.223 0.015 0.000 2.592 54 L HA 0.335 4.675 4.340 -0.000 0.000 0.258 54 L C -1.976 174.927 176.870 0.056 0.000 0.926 54 L CA -0.535 54.327 54.840 0.036 0.000 0.885 54 L CB 2.133 44.216 42.059 0.040 0.000 1.380 54 L HN 0.189 nan 8.230 nan 0.000 0.415 55 D N 1.843 122.272 120.400 0.047 0.000 2.380 55 D HA 0.284 4.924 4.640 -0.000 0.000 0.230 55 D C 0.966 177.293 176.300 0.044 0.000 1.154 55 D CA 0.439 54.466 54.000 0.045 0.000 0.859 55 D CB 1.481 42.301 40.800 0.033 0.000 1.045 55 D HN 0.706 nan 8.370 nan 0.000 0.495 56 T N -0.000 114.584 114.554 0.050 0.000 3.118 56 T HA -0.008 4.342 4.350 -0.000 0.000 0.260 56 T C 0.847 175.549 174.700 0.002 0.000 1.139 56 T CA -0.115 62.008 62.100 0.039 0.000 1.085 56 T CB -0.478 68.415 68.868 0.042 0.000 0.934 56 T HN 0.275 nan 8.240 nan 0.000 0.518 57 T N 2.526 117.078 114.554 -0.003 0.000 2.866 57 T HA 0.374 4.724 4.350 -0.000 0.000 0.293 57 T C 1.541 176.229 174.700 -0.020 0.000 1.005 57 T CA 0.890 62.978 62.100 -0.020 0.000 1.162 57 T CB -0.115 68.746 68.868 -0.011 0.000 0.968 57 T HN 0.762 nan 8.240 nan 0.000 0.530 58 G N 2.721 111.497 108.800 -0.039 0.000 2.189 58 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 58 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 58 G C 0.816 175.701 174.900 -0.025 0.000 0.975 58 G CA 0.372 45.450 45.100 -0.036 0.000 0.644 58 G HN 0.704 nan 8.290 nan 0.000 0.537 59 L N -0.516 120.696 121.223 -0.018 0.000 2.418 59 L HA 0.379 4.719 4.340 -0.000 0.000 0.218 59 L C 1.238 178.109 176.870 0.001 0.000 1.125 59 L CA 0.608 55.456 54.840 0.012 0.000 0.835 59 L CB -0.014 42.071 42.059 0.043 0.000 0.953 59 L HN 0.287 nan 8.230 nan 0.000 0.454 60 I N -1.141 119.379 120.570 -0.084 0.000 2.608 60 I HA 0.201 4.371 4.170 -0.000 0.000 0.295 60 I C -0.550 175.460 176.117 -0.179 0.000 1.049 60 I CA -1.029 60.156 61.300 -0.192 0.000 1.063 60 I CB 2.056 39.788 38.000 -0.447 0.000 1.248 60 I HN -0.140 nan 8.210 nan 0.000 0.424 61 D N 5.025 125.326 120.400 -0.164 0.000 2.583 61 D HA -0.061 4.579 4.640 -0.000 0.000 0.232 61 D C 1.378 177.588 176.300 -0.150 0.000 1.128 61 D CA 0.269 54.195 54.000 -0.123 0.000 0.859 61 D CB 0.861 41.601 40.800 -0.099 0.000 1.169 61 D HN 0.586 nan 8.370 nan 0.000 0.481 62 R N 3.016 123.444 120.500 -0.119 0.000 2.103 62 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 62 R C 1.234 177.437 176.300 -0.162 0.000 1.142 62 R CA 1.081 57.097 56.100 -0.140 0.000 0.960 62 R CB -0.203 30.032 30.300 -0.107 0.000 0.858 62 R HN 0.297 nan 8.270 nan 0.000 0.439 63 K N 0.605 120.942 120.400 -0.106 0.000 2.362 63 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 63 K C 1.863 178.466 176.600 0.005 0.000 1.046 63 K CA 0.958 57.210 56.287 -0.059 0.000 0.952 63 K CB 0.268 32.768 32.500 -0.000 0.000 0.753 63 K HN 0.081 nan 8.250 nan 0.000 0.466 64 V N -0.237 119.634 119.914 -0.071 0.000 2.581 64 V HA -0.089 4.031 4.120 -0.000 0.000 0.240 64 V C 1.843 177.859 176.094 -0.130 0.000 1.054 64 V CA 0.776 63.034 62.300 -0.070 0.000 1.076 64 V CB 0.377 32.068 31.823 -0.220 0.000 0.748 64 V HN 0.050 nan 8.190 nan 0.000 0.474 65 V N 2.397 122.158 119.914 -0.256 0.000 2.913 65 V HA -0.185 3.935 4.120 -0.000 0.000 0.260 65 V C 2.725 178.624 176.094 -0.324 0.000 1.098 65 V CA 1.997 64.121 62.300 -0.293 0.000 1.121 65 V CB -0.665 30.987 31.823 -0.285 0.000 0.714 65 V HN 0.704 nan 8.190 nan 0.000 0.487 66 R N -0.964 119.278 120.500 -0.430 0.000 2.193 66 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 66 R C 1.731 177.478 176.300 -0.921 0.000 1.110 66 R CA 1.994 57.617 56.100 -0.795 0.000 0.988 66 R CB -0.658 28.942 30.300 -1.167 0.000 0.871 66 R HN 0.504 nan 8.270 nan 0.000 0.458 67 F N 0.946 120.637 119.950 -0.430 0.000 2.765 67 F HA 0.346 4.873 4.527 -0.000 0.000 0.302 67 F C 0.789 176.433 175.800 -0.261 0.000 1.111 67 F CA -0.251 57.598 58.000 -0.251 0.000 1.359 67 F CB 0.169 39.097 39.000 -0.120 0.000 1.097 67 F HN -0.120 nan 8.300 nan 0.000 0.577 68 M N -0.084 119.413 119.600 -0.171 0.000 2.423 68 M HA 0.348 4.828 4.480 -0.000 0.000 0.335 68 M C 0.420 176.523 176.300 -0.328 0.000 1.177 68 M CA -0.662 54.514 55.300 -0.206 0.000 1.038 68 M CB 1.642 34.130 32.600 -0.187 0.000 1.641 68 M HN -0.009 nan 8.290 nan 0.000 0.455 69 S N -0.292 115.252 115.700 -0.260 0.000 2.730 69 S HA 0.331 4.801 4.470 -0.000 0.000 0.284 69 S C 0.323 174.827 174.600 -0.159 0.000 1.153 69 S CA -0.764 57.317 58.200 -0.198 0.000 0.995 69 S CB 1.060 64.223 63.200 -0.062 0.000 1.058 69 S HN 0.675 nan 8.310 nan 0.000 0.552 70 D N 0.998 121.313 120.400 -0.142 0.000 2.149 70 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 70 D C 2.168 178.150 176.300 -0.530 0.000 0.990 70 D CA 1.729 55.463 54.000 -0.443 0.000 0.839 70 D CB -0.852 39.696 40.800 -0.420 0.000 0.948 70 D HN 0.671 nan 8.370 nan 0.000 0.460 71 A N 0.456 123.170 122.820 -0.176 0.000 1.883 71 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 71 A C 2.461 180.041 177.584 -0.008 0.000 1.186 71 A CA 1.991 54.019 52.037 -0.016 0.000 0.624 71 A CB -0.627 18.400 19.000 0.045 0.000 0.822 71 A HN 0.177 nan 8.150 nan 0.000 0.444 72 S N -0.312 115.365 115.700 -0.039 0.000 2.383 72 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 72 S C 1.803 176.425 174.600 0.036 0.000 1.026 72 S CA 1.359 59.568 58.200 0.015 0.000 0.981 72 S CB -0.486 62.706 63.200 -0.013 0.000 0.818 72 S HN 0.536 nan 8.310 nan 0.000 0.472 73 I N 0.397 120.905 120.570 -0.103 0.000 2.142 73 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 73 I C 2.077 178.254 176.117 0.099 0.000 1.078 73 I CA 1.387 62.637 61.300 -0.084 0.000 1.343 73 I CB -0.504 37.346 38.000 -0.250 0.000 1.046 73 I HN 0.263 nan 8.210 nan 0.000 0.405 74 Y N 0.902 121.244 120.300 0.070 0.000 2.181 74 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 74 Y C 2.672 178.616 175.900 0.074 0.000 1.146 74 Y CA 0.830 58.965 58.100 0.059 0.000 1.164 74 Y CB -1.365 37.109 38.460 0.024 0.000 0.982 74 Y HN 0.131 nan 8.280 nan 0.000 0.515 75 A N -0.619 122.343 122.820 0.238 0.000 1.930 75 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 75 A C 2.194 179.869 177.584 0.152 0.000 1.175 75 A CA 1.169 53.294 52.037 0.147 0.000 0.627 75 A CB -1.301 17.767 19.000 0.113 0.000 0.815 75 A HN 0.445 nan 8.150 nan 0.000 0.443 76 F N 0.657 120.661 119.950 0.090 0.000 2.102 76 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 76 F C 1.919 177.808 175.800 0.149 0.000 1.105 76 F CA 1.786 59.881 58.000 0.160 0.000 1.239 76 F CB -0.165 38.904 39.000 0.115 0.000 0.991 76 F HN 0.137 nan 8.300 nan 0.000 0.474 77 L N -0.726 120.711 121.223 0.356 0.000 2.083 77 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 77 L C 2.510 179.420 176.870 0.066 0.000 1.083 77 L CA 1.377 56.352 54.840 0.225 0.000 0.752 77 L CB -0.943 41.254 42.059 0.228 0.000 0.899 77 L HN 0.089 nan 8.230 nan 0.000 0.433 78 S N -0.339 115.390 115.700 0.048 0.000 2.368 78 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 78 S C 1.931 176.462 174.600 -0.115 0.000 1.030 78 S CA 1.563 59.750 58.200 -0.021 0.000 0.999 78 S CB -0.219 62.974 63.200 -0.012 0.000 0.844 78 S HN 0.354 nan 8.310 nan 0.000 0.459 79 M N 1.445 120.916 119.600 -0.215 0.000 2.175 79 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 79 M C 1.923 177.919 176.300 -0.506 0.000 1.063 79 M CA 1.414 56.428 55.300 -0.476 0.000 1.119 79 M CB -0.145 31.955 32.600 -0.832 0.000 1.377 79 M HN 0.234 nan 8.290 nan 0.000 0.415 80 E N -0.175 119.831 120.200 -0.323 0.000 2.085 80 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 80 E C 2.051 178.583 176.600 -0.113 0.000 0.994 80 E CA 1.699 57.999 56.400 -0.167 0.000 0.801 80 E CB -0.185 29.498 29.700 -0.029 0.000 0.743 80 E HN 0.679 nan 8.360 nan 0.000 0.453 81 Q N 0.135 119.888 119.800 -0.078 0.000 2.050 81 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 81 Q C 2.245 178.220 176.000 -0.043 0.000 0.980 81 Q CA 1.376 57.158 55.803 -0.036 0.000 0.840 81 Q CB -0.190 28.539 28.738 -0.016 0.000 0.898 81 Q HN 0.236 nan 8.270 nan 0.000 0.424 82 A N 0.900 123.672 122.820 -0.081 0.000 1.902 82 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 82 A C 2.044 179.611 177.584 -0.027 0.000 1.181 82 A CA 1.234 53.245 52.037 -0.043 0.000 0.623 82 A CB -0.675 18.295 19.000 -0.050 0.000 0.818 82 A HN 0.316 nan 8.150 nan 0.000 0.443 83 I N -0.361 120.130 120.570 -0.131 0.000 2.179 83 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 83 I C 2.982 179.082 176.117 -0.028 0.000 1.088 83 I CA 1.118 62.337 61.300 -0.135 0.000 1.357 83 I CB -0.335 37.444 38.000 -0.368 0.000 1.051 83 I HN 0.374 nan 8.210 nan 0.000 0.409 84 A N 0.278 123.087 122.820 -0.018 0.000 1.873 84 A HA -0.288 4.032 4.320 -0.000 0.000 0.215 84 A C 2.008 179.612 177.584 0.034 0.000 1.186 84 A CA 2.224 54.274 52.037 0.021 0.000 0.616 84 A CB -0.714 18.298 19.000 0.020 0.000 0.823 84 A HN 0.437 nan 8.150 nan 0.000 0.442 85 D N -0.135 120.290 120.400 0.041 0.000 2.178 85 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 85 D C 1.793 178.148 176.300 0.092 0.000 0.980 85 D CA 1.437 55.481 54.000 0.074 0.000 0.842 85 D CB -0.156 40.714 40.800 0.116 0.000 0.948 85 D HN 0.338 nan 8.370 nan 0.000 0.472 86 A N -0.778 122.092 122.820 0.083 0.000 2.169 86 A HA 0.397 4.717 4.320 -0.000 0.000 0.212 86 A C 1.804 179.429 177.584 0.067 0.000 1.153 86 A CA 0.991 53.077 52.037 0.083 0.000 0.756 86 A CB -0.549 18.486 19.000 0.059 0.000 0.813 86 A HN 0.462 nan 8.150 nan 0.000 0.471 87 G N -0.842 107.994 108.800 0.060 0.000 2.198 87 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 87 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 87 G C -0.078 174.872 174.900 0.083 0.000 1.042 87 G CA 0.338 45.474 45.100 0.059 0.000 0.791 87 G HN 0.460 nan 8.290 nan 0.000 0.502 88 L N 1.864 123.151 121.223 0.107 0.000 2.260 88 L HA 0.489 4.829 4.340 -0.000 0.000 0.289 88 L C 1.276 178.297 176.870 0.251 0.000 1.057 88 L CA -0.225 54.725 54.840 0.184 0.000 0.811 88 L CB 1.346 43.532 42.059 0.212 0.000 1.184 88 L HN 0.431 nan 8.230 nan 0.000 0.429 89 S N 2.822 118.645 115.700 0.205 0.000 2.614 89 S HA 0.330 4.800 4.470 -0.000 0.000 0.265 89 S C -1.903 172.800 174.600 0.171 0.000 1.303 89 S CA -1.157 57.142 58.200 0.165 0.000 1.000 89 S CB 1.160 64.410 63.200 0.083 0.000 0.935 89 S HN 0.362 nan 8.310 nan 0.000 0.551 90 P HA -0.090 nan 4.420 nan 0.000 0.215 90 P C 1.283 178.391 177.300 -0.321 0.000 1.153 90 P CA 1.173 64.124 63.100 -0.248 0.000 0.853 90 P CB 0.033 31.660 31.700 -0.122 0.000 0.788 91 E N -0.633 119.491 120.200 -0.128 0.000 2.265 91 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 91 E C 1.840 178.404 176.600 -0.060 0.000 0.996 91 E CA 1.045 57.387 56.400 -0.096 0.000 0.832 91 E CB -0.837 28.839 29.700 -0.041 0.000 0.756 91 E HN 0.098 nan 8.360 nan 0.000 0.491 92 A N -0.658 122.161 122.820 -0.002 0.000 2.021 92 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 92 A C 1.620 179.298 177.584 0.158 0.000 1.163 92 A CA 1.180 53.275 52.037 0.097 0.000 0.676 92 A CB -0.350 18.748 19.000 0.163 0.000 0.818 92 A HN 0.533 nan 8.150 nan 0.000 0.453 93 Y N -2.189 118.156 120.300 0.076 0.000 2.425 93 Y HA 0.437 4.987 4.550 -0.000 0.000 0.261 93 Y C 0.534 176.471 175.900 0.062 0.000 1.084 93 Y CA -0.689 57.471 58.100 0.100 0.000 1.248 93 Y CB -0.133 38.459 38.460 0.221 0.000 1.270 93 Y HN 0.153 nan 8.280 nan 0.000 0.524 94 Q N 2.219 121.658 119.800 -0.602 0.000 2.299 94 Q HA 0.195 4.535 4.340 -0.000 0.000 0.246 94 Q C -0.198 175.604 176.000 -0.329 0.000 0.935 94 Q CA -0.315 55.219 55.803 -0.449 0.000 0.887 94 Q CB 0.399 28.821 28.738 -0.526 0.000 1.223 94 Q HN 0.346 nan 8.270 nan 0.000 0.439 95 N N 1.789 120.184 118.700 -0.507 0.000 2.716 95 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 95 N C -1.117 174.175 175.510 -0.363 0.000 1.033 95 N CA 0.736 53.265 53.050 -0.867 0.000 0.727 95 N CB -1.060 37.171 38.487 -0.428 0.000 0.950 95 N HN 0.570 nan 8.380 nan 0.000 0.541 96 N N 0.139 118.727 118.700 -0.186 0.000 2.483 96 N HA 0.313 5.053 4.740 -0.000 0.000 0.267 96 N C -1.970 173.596 175.510 0.094 0.000 0.998 96 N CA -1.869 51.182 53.050 0.003 0.000 0.918 96 N CB 1.633 40.129 38.487 0.015 0.000 1.215 96 N HN -0.185 nan 8.380 nan 0.000 0.500 97 P HA -0.018 nan 4.420 nan 0.000 0.221 97 P C 0.433 177.774 177.300 0.069 0.000 1.145 97 P CA 1.101 64.274 63.100 0.122 0.000 0.795 97 P CB 0.321 32.077 31.700 0.093 0.000 0.775 98 R N -1.106 119.420 120.500 0.042 0.000 2.388 98 R HA 0.202 4.542 4.340 -0.000 0.000 0.247 98 R C -0.366 175.914 176.300 -0.034 0.000 0.931 98 R CA 0.009 56.109 56.100 -0.001 0.000 1.082 98 R CB 0.394 30.686 30.300 -0.014 0.000 1.135 98 R HN 0.067 nan 8.270 nan 0.000 0.525 99 V N 0.368 120.290 119.914 0.012 0.000 2.444 99 V HA 0.578 4.698 4.120 -0.000 0.000 0.294 99 V C 0.377 176.511 176.094 0.066 0.000 1.022 99 V CA -0.745 61.564 62.300 0.015 0.000 0.850 99 V CB 1.638 33.526 31.823 0.108 0.000 0.992 99 V HN 0.314 nan 8.190 nan 0.000 0.426 100 G N 3.222 112.032 108.800 0.017 0.000 3.042 100 G HA2 0.806 4.766 3.960 -0.000 0.000 0.278 100 G HA3 0.806 4.766 3.960 -0.000 0.000 0.278 100 G C -1.862 173.077 174.900 0.065 0.000 1.371 100 G CA -0.747 44.371 45.100 0.029 0.000 1.009 100 G HN 0.656 nan 8.290 nan 0.000 0.523 101 L N -0.379 120.836 121.223 -0.012 0.000 2.505 101 L HA 0.715 5.055 4.340 -0.000 0.000 0.266 101 L C -1.464 175.310 176.870 -0.159 0.000 0.954 101 L CA -0.504 54.330 54.840 -0.010 0.000 0.852 101 L CB 1.715 43.796 42.059 0.037 0.000 1.282 101 L HN 0.442 nan 8.230 nan 0.000 0.403 102 I N 5.258 125.738 120.570 -0.150 0.000 2.476 102 I HA 0.820 4.990 4.170 -0.000 0.000 0.281 102 I C -0.542 175.536 176.117 -0.066 0.000 1.040 102 I CA -0.427 60.752 61.300 -0.201 0.000 1.094 102 I CB 1.702 39.559 38.000 -0.238 0.000 1.219 102 I HN 0.804 nan 8.210 nan 0.000 0.450 103 A N 4.292 127.100 122.820 -0.020 0.000 2.566 103 A HA 0.943 5.263 4.320 -0.000 0.000 0.297 103 A C -0.696 176.919 177.584 0.051 0.000 1.059 103 A CA -0.371 51.676 52.037 0.016 0.000 0.691 103 A CB 1.834 20.840 19.000 0.009 0.000 1.282 103 A HN 0.771 nan 8.150 nan 0.000 0.401 104 G N -0.201 108.636 108.800 0.062 0.000 2.870 104 G HA2 0.865 4.825 3.960 -0.000 0.000 0.299 104 G HA3 0.865 4.825 3.960 -0.000 0.000 0.299 104 G C -0.513 174.431 174.900 0.074 0.000 1.324 104 G CA 0.177 45.323 45.100 0.077 0.000 0.808 104 G HN 1.934 nan 8.290 nan 0.000 0.535 105 S N -2.148 113.599 115.700 0.078 0.000 2.618 105 S HA 0.660 5.130 4.470 -0.000 0.000 0.277 105 S C 0.977 175.627 174.600 0.083 0.000 1.138 105 S CA 0.259 58.505 58.200 0.078 0.000 0.844 105 S CB 1.466 64.710 63.200 0.074 0.000 1.127 105 S HN 1.486 nan 8.310 nan 0.000 0.474 106 G N -0.043 108.807 108.800 0.083 0.000 2.408 106 G HA2 0.334 4.294 3.960 -0.000 0.000 0.215 106 G HA3 0.334 4.294 3.960 -0.000 0.000 0.215 106 G C 0.839 175.791 174.900 0.087 0.000 1.156 106 G CA 0.426 45.582 45.100 0.093 0.000 0.793 106 G HN 1.316 nan 8.290 nan 0.000 0.535 107 G N -1.286 107.563 108.800 0.081 0.000 3.979 107 G HA2 0.487 4.447 3.960 -0.000 0.000 0.287 107 G HA3 0.487 4.447 3.960 -0.000 0.000 0.287 107 G C 0.980 175.915 174.900 0.059 0.000 1.011 107 G CA 0.819 45.959 45.100 0.066 0.000 0.818 107 G HN 1.097 nan 8.290 nan 0.000 0.470 108 G N 0.560 109.398 108.800 0.064 0.000 2.601 108 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.306 108 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.306 108 G C 0.444 175.385 174.900 0.069 0.000 1.172 108 G CA 0.829 45.967 45.100 0.062 0.000 0.966 108 G HN 1.550 nan 8.290 nan 0.000 0.542 109 S N 1.393 117.141 115.700 0.080 0.000 2.381 109 S HA 0.642 5.112 4.470 -0.000 0.000 0.193 109 S C -1.484 173.170 174.600 0.090 0.000 1.287 109 S CA 0.088 58.354 58.200 0.111 0.000 1.199 109 S CB 1.780 65.098 63.200 0.197 0.000 1.214 109 S HN 0.270 nan 8.310 nan 0.000 0.444 110 P HA -0.067 nan 4.420 nan 0.000 0.218 110 P C 1.506 178.759 177.300 -0.079 0.000 1.149 110 P CA 0.574 63.654 63.100 -0.034 0.000 0.817 110 P CB 0.144 31.797 31.700 -0.078 0.000 0.785 111 R N -0.733 119.704 120.500 -0.105 0.000 2.080 111 R HA -0.126 4.214 4.340 -0.000 0.000 0.236 111 R C 1.843 178.024 176.300 -0.198 0.000 1.137 111 R CA 1.748 57.712 56.100 -0.226 0.000 0.943 111 R CB -0.981 29.141 30.300 -0.298 0.000 0.846 111 R HN 0.089 nan 8.270 nan 0.000 0.431 112 F N 0.412 120.371 119.950 0.016 0.000 2.456 112 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 112 F C 2.502 178.397 175.800 0.159 0.000 1.104 112 F CA 0.723 58.788 58.000 0.107 0.000 1.435 112 F CB -0.131 38.895 39.000 0.043 0.000 1.078 112 F HN 0.176 nan 8.300 nan 0.000 0.546 113 Q N 0.613 120.539 119.800 0.209 0.000 2.046 113 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 113 Q C 2.154 178.207 176.000 0.087 0.000 0.975 113 Q CA 1.767 57.649 55.803 0.131 0.000 0.836 113 Q CB -0.591 28.190 28.738 0.071 0.000 0.896 113 Q HN 0.257 nan 8.270 nan 0.000 0.428 114 V N 0.645 120.585 119.914 0.043 0.000 2.453 114 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 114 V C 2.009 178.134 176.094 0.051 0.000 1.048 114 V CA 1.605 63.915 62.300 0.016 0.000 1.049 114 V CB -0.818 30.976 31.823 -0.049 0.000 0.672 114 V HN 0.413 nan 8.190 nan 0.000 0.457 115 F N 2.366 122.282 119.950 -0.058 0.000 2.095 115 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 115 F C 2.180 177.993 175.800 0.023 0.000 1.104 115 F CA 1.872 59.846 58.000 -0.042 0.000 1.232 115 F CB -0.943 37.994 39.000 -0.105 0.000 0.987 115 F HN 0.138 nan 8.300 nan 0.000 0.475 116 G N -0.324 108.451 108.800 -0.040 0.000 2.418 116 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 116 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 116 G C 1.806 176.606 174.900 -0.167 0.000 1.158 116 G CA 0.922 45.936 45.100 -0.143 0.000 0.771 116 G HN 0.662 nan 8.290 nan 0.000 0.545 117 A N 0.887 123.656 122.820 -0.084 0.000 1.930 117 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 117 A C 2.100 179.629 177.584 -0.092 0.000 1.175 117 A CA 2.063 54.061 52.037 -0.065 0.000 0.627 117 A CB -0.337 18.649 19.000 -0.023 0.000 0.815 117 A HN 0.272 nan 8.150 nan 0.000 0.443 118 D N 0.122 120.453 120.400 -0.115 0.000 2.117 118 D HA -0.015 4.625 4.640 -0.000 0.000 0.198 118 D C 2.233 178.434 176.300 -0.166 0.000 0.982 118 D CA 1.551 55.488 54.000 -0.104 0.000 0.828 118 D CB -0.425 40.336 40.800 -0.064 0.000 0.967 118 D HN 0.404 nan 8.370 nan 0.000 0.464 119 A N 0.526 123.150 122.820 -0.325 0.000 1.898 119 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 119 A C 2.120 179.591 177.584 -0.188 0.000 1.181 119 A CA 1.480 53.321 52.037 -0.327 0.000 0.620 119 A CB -0.499 18.135 19.000 -0.610 0.000 0.819 119 A HN 0.144 nan 8.150 nan 0.000 0.442 120 M N 0.015 119.515 119.600 -0.167 0.000 2.159 120 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 120 M C 1.763 178.021 176.300 -0.069 0.000 1.063 120 M CA 1.495 56.736 55.300 -0.098 0.000 1.110 120 M CB -0.430 32.124 32.600 -0.077 0.000 1.374 120 M HN 0.356 nan 8.290 nan 0.000 0.411 121 R N -0.168 120.292 120.500 -0.067 0.000 2.313 121 R HA 0.223 4.563 4.340 -0.000 0.000 0.199 121 R C 1.000 177.276 176.300 -0.040 0.000 0.958 121 R CA 0.245 56.318 56.100 -0.044 0.000 1.047 121 R CB -0.351 29.929 30.300 -0.034 0.000 0.955 121 R HN 0.450 nan 8.270 nan 0.000 0.481 122 G N 1.180 109.949 108.800 -0.052 0.000 2.557 122 G HA2 0.135 4.095 3.960 -0.000 0.000 0.292 122 G HA3 0.135 4.095 3.960 -0.000 0.000 0.292 122 G C -1.443 173.439 174.900 -0.030 0.000 1.237 122 G CA -0.987 44.089 45.100 -0.040 0.000 0.978 122 G HN -0.064 nan 8.290 nan 0.000 0.498 123 P HA -0.018 nan 4.420 nan 0.000 0.230 123 P C 1.086 178.377 177.300 -0.015 0.000 1.158 123 P CA 0.714 63.805 63.100 -0.015 0.000 0.769 123 P CB 0.386 32.081 31.700 -0.009 0.000 0.807 124 R N -1.083 119.405 120.500 -0.020 0.000 2.282 124 R HA 0.242 4.582 4.340 -0.000 0.000 0.195 124 R C 1.558 177.843 176.300 -0.025 0.000 0.909 124 R CA 0.593 56.683 56.100 -0.018 0.000 1.039 124 R CB -0.125 30.168 30.300 -0.012 0.000 1.015 124 R HN 0.175 nan 8.270 nan 0.000 0.513 125 G N 1.834 110.612 108.800 -0.037 0.000 2.574 125 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.286 125 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.286 125 G C 0.771 175.642 174.900 -0.047 0.000 1.212 125 G CA 0.262 45.337 45.100 -0.042 0.000 0.979 125 G HN 0.174 nan 8.290 nan 0.000 0.557 126 L N 0.467 121.668 121.223 -0.036 0.000 2.081 126 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 126 L C 3.028 179.881 176.870 -0.027 0.000 1.080 126 L CA 2.437 57.257 54.840 -0.033 0.000 0.754 126 L CB -0.550 41.494 42.059 -0.026 0.000 0.893 126 L HN 0.597 nan 8.230 nan 0.000 0.433 127 K N -0.066 120.322 120.400 -0.021 0.000 2.103 127 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 127 K C 2.163 178.765 176.600 0.004 0.000 1.048 127 K CA 1.457 57.739 56.287 -0.009 0.000 0.930 127 K CB -0.266 32.231 32.500 -0.005 0.000 0.716 127 K HN 0.340 nan 8.250 nan 0.000 0.444 128 A N 0.741 123.552 122.820 -0.014 0.000 2.016 128 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 128 A C 2.290 179.861 177.584 -0.021 0.000 1.162 128 A CA 0.813 52.843 52.037 -0.012 0.000 0.662 128 A CB -0.296 18.663 19.000 -0.067 0.000 0.812 128 A HN 0.044 nan 8.150 nan 0.000 0.450 129 V N -0.401 119.477 119.914 -0.060 0.000 2.237 129 V HA 0.204 4.324 4.120 -0.000 0.000 0.245 129 V C 1.601 177.789 176.094 0.158 0.000 1.046 129 V CA 1.344 63.623 62.300 -0.034 0.000 1.007 129 V CB -1.872 29.927 31.823 -0.039 0.000 0.638 129 V HN 1.279 nan 8.190 nan 0.000 0.445 130 G N 0.305 109.147 108.800 0.070 0.000 2.699 130 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.686 130 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.686 130 G C -1.976 172.879 174.900 -0.075 0.000 1.301 130 G CA -0.114 45.003 45.100 0.029 0.000 0.816 130 G HN 0.322 nan 8.290 nan 0.000 0.595 131 P HA 0.256 nan 4.420 nan 0.000 0.258 131 P C 0.028 177.056 177.300 -0.452 0.000 1.416 131 P CA 0.488 63.358 63.100 -0.383 0.000 0.927 131 P CB -0.011 31.404 31.700 -0.476 0.000 1.444 132 Y N -1.556 118.724 120.300 -0.034 0.000 2.481 132 Y HA 0.113 4.663 4.550 -0.000 0.000 0.247 132 Y C 2.211 178.077 175.900 -0.056 0.000 1.151 132 Y CA -0.208 57.834 58.100 -0.097 0.000 1.238 132 Y CB -0.315 37.985 38.460 -0.267 0.000 1.179 132 Y HN -0.271 nan 8.280 nan 0.000 0.524 133 V N -1.159 118.839 119.914 0.140 0.000 2.427 133 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 133 V C 2.119 178.277 176.094 0.106 0.000 1.051 133 V CA 1.605 63.999 62.300 0.156 0.000 1.048 133 V CB -0.789 31.178 31.823 0.239 0.000 0.666 133 V HN 0.209 nan 8.190 nan 0.000 0.456 134 V N 1.287 121.259 119.914 0.097 0.000 2.231 134 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 134 V C 2.846 178.987 176.094 0.079 0.000 1.054 134 V CA 2.786 65.135 62.300 0.083 0.000 1.015 134 V CB -1.512 30.355 31.823 0.074 0.000 0.638 134 V HN 0.808 nan 8.190 nan 0.000 0.444 135 T N -1.817 112.803 114.554 0.110 0.000 2.929 135 T HA -0.197 4.153 4.350 -0.000 0.000 0.271 135 T C 1.689 176.408 174.700 0.031 0.000 1.085 135 T CA 1.493 63.652 62.100 0.098 0.000 1.125 135 T CB -0.282 68.709 68.868 0.206 0.000 0.874 135 T HN 0.514 nan 8.240 nan 0.000 0.494 136 K N 0.979 121.360 120.400 -0.031 0.000 2.128 136 K HA 0.377 4.697 4.320 -0.000 0.000 0.202 136 K C 2.681 179.270 176.600 -0.019 0.000 1.050 136 K CA 0.864 57.060 56.287 -0.150 0.000 0.966 136 K CB -0.134 32.050 32.500 -0.526 0.000 0.759 136 K HN 0.394 nan 8.250 nan 0.000 0.454 137 A N 1.952 124.803 122.820 0.051 0.000 2.081 137 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 137 A C 1.242 178.867 177.584 0.069 0.000 1.158 137 A CA -0.005 52.090 52.037 0.096 0.000 0.724 137 A CB -0.460 18.618 19.000 0.130 0.000 0.826 137 A HN 0.312 nan 8.150 nan 0.000 0.463 138 M N -1.809 117.825 119.600 0.056 0.000 2.252 138 M HA 0.489 4.969 4.480 -0.000 0.000 0.333 138 M C 0.950 177.281 176.300 0.050 0.000 1.111 138 M CA 0.407 55.738 55.300 0.051 0.000 1.140 138 M CB 0.481 33.109 32.600 0.047 0.000 1.538 138 M HN 0.041 nan 8.290 nan 0.000 0.448 139 A N 1.799 124.649 122.820 0.050 0.000 2.070 139 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 139 A C 1.984 179.604 177.584 0.061 0.000 1.159 139 A CA 1.745 53.815 52.037 0.054 0.000 0.656 139 A CB -0.870 18.160 19.000 0.050 0.000 0.800 139 A HN 0.997 nan 8.150 nan 0.000 0.453 140 S N -1.278 114.458 115.700 0.060 0.000 2.597 140 S HA 0.310 4.780 4.470 -0.000 0.000 0.224 140 S C 1.642 176.277 174.600 0.059 0.000 0.955 140 S CA 0.572 58.813 58.200 0.068 0.000 0.933 140 S CB -0.222 63.021 63.200 0.073 0.000 0.788 140 S HN 0.541 nan 8.310 nan 0.000 0.488 141 G N 2.334 111.164 108.800 0.050 0.000 2.513 141 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 141 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 141 G C 1.307 176.233 174.900 0.043 0.000 1.160 141 G CA 1.331 46.454 45.100 0.038 0.000 0.767 141 G HN 0.477 nan 8.290 nan 0.000 0.571 142 V N 1.786 121.732 119.914 0.053 0.000 2.332 142 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 142 V C 3.269 179.405 176.094 0.070 0.000 1.055 142 V CA 2.530 64.868 62.300 0.064 0.000 1.038 142 V CB -0.610 31.253 31.823 0.065 0.000 0.651 142 V HN 0.643 nan 8.190 nan 0.000 0.450 143 S N 0.858 116.596 115.700 0.064 0.000 2.377 143 S HA -0.042 4.428 4.470 -0.000 0.000 0.223 143 S C 2.151 176.788 174.600 0.061 0.000 1.030 143 S CA 1.064 59.298 58.200 0.057 0.000 0.970 143 S CB -0.539 62.694 63.200 0.053 0.000 0.830 143 S HN 0.547 nan 8.310 nan 0.000 0.473 144 A N 0.949 123.800 122.820 0.052 0.000 1.908 144 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 144 A C 2.389 179.984 177.584 0.019 0.000 1.181 144 A CA 1.600 53.655 52.037 0.030 0.000 0.627 144 A CB -1.529 17.480 19.000 0.015 0.000 0.818 144 A HN 0.695 nan 8.150 nan 0.000 0.445 145 C N -1.293 118.028 119.300 0.035 0.000 2.472 145 C HA 0.134 4.594 4.460 -0.000 0.000 0.278 145 C C 2.244 177.315 174.990 0.135 0.000 1.447 145 C CA 0.752 59.794 59.018 0.039 0.000 1.773 145 C CB -1.243 26.518 27.740 0.035 0.000 1.793 145 C HN 0.533 nan 8.230 nan 0.000 0.544 146 L N 0.153 121.488 121.223 0.186 0.000 2.467 146 L HA 0.273 4.613 4.340 -0.000 0.000 0.213 146 L C 2.602 179.653 176.870 0.301 0.000 1.053 146 L CA 1.434 56.476 54.840 0.338 0.000 0.847 146 L CB -1.148 41.072 42.059 0.268 0.000 1.075 146 L HN 0.146 nan 8.230 nan 0.000 0.479 147 A N -0.677 122.242 122.820 0.165 0.000 1.908 147 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 147 A C 2.309 179.975 177.584 0.136 0.000 1.181 147 A CA 2.499 54.621 52.037 0.143 0.000 0.627 147 A CB -0.992 18.063 19.000 0.092 0.000 0.818 147 A HN 0.399 nan 8.150 nan 0.000 0.445 148 T N 0.482 115.081 114.554 0.076 0.000 2.643 148 T HA -0.079 4.270 4.350 -0.000 0.000 0.264 148 T C -0.012 174.699 174.700 0.019 0.000 1.045 148 T CA 1.714 63.829 62.100 0.025 0.000 1.155 148 T CB -1.141 67.690 68.868 -0.063 0.000 0.863 148 T HN 0.520 nan 8.240 nan 0.000 0.420 149 P HA -0.037 nan 4.420 nan 0.000 0.217 149 P C 0.898 178.100 177.300 -0.164 0.000 1.150 149 P CA 1.184 64.227 63.100 -0.095 0.000 0.832 149 P CB -0.287 31.363 31.700 -0.084 0.000 0.787 150 F N 0.187 120.177 119.950 0.066 0.000 2.804 150 F HA 0.142 4.669 4.527 -0.000 0.000 0.303 150 F C 0.852 176.693 175.800 0.068 0.000 1.154 150 F CA 0.031 58.069 58.000 0.063 0.000 1.401 150 F CB -0.251 38.719 39.000 -0.050 0.000 1.106 150 F HN -0.220 nan 8.300 nan 0.000 0.568 151 K N 0.312 120.798 120.400 0.143 0.000 3.096 151 K HA -0.199 4.121 4.320 -0.000 0.000 0.266 151 K C -0.407 176.227 176.600 0.057 0.000 1.043 151 K CA 0.333 56.652 56.287 0.054 0.000 0.758 151 K CB -2.364 30.092 32.500 -0.074 0.000 1.260 151 K HN 0.196 nan 8.250 nan 0.000 0.481 152 I N 1.260 121.938 120.570 0.180 0.000 2.556 152 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 152 I C 1.906 178.199 176.117 0.293 0.000 1.114 152 I CA 0.362 61.783 61.300 0.202 0.000 1.418 152 I CB 0.278 38.393 38.000 0.191 0.000 1.394 152 I HN 0.249 nan 8.210 nan 0.000 0.552 153 H N 3.280 122.396 119.070 0.077 0.000 2.827 153 H HA 0.188 4.744 4.556 -0.000 0.000 0.269 153 H C 1.321 176.674 175.328 0.041 0.000 1.031 153 H CA -0.031 56.046 56.048 0.049 0.000 1.202 153 H CB 1.399 31.183 29.762 0.038 0.000 1.511 153 H HN 0.765 nan 8.280 nan 0.000 0.517 154 G N 1.059 109.954 108.800 0.159 0.000 2.783 154 G HA2 0.236 4.196 3.960 -0.000 0.000 0.182 154 G HA3 0.236 4.196 3.960 -0.000 0.000 0.182 154 G C 0.149 175.081 174.900 0.053 0.000 1.516 154 G CA 0.023 45.174 45.100 0.084 0.000 1.079 154 G HN 0.117 nan 8.290 nan 0.000 0.573 155 V N -0.679 119.241 119.914 0.011 0.000 2.872 155 V HA 0.434 4.554 4.120 -0.000 0.000 0.307 155 V C -0.231 175.802 176.094 -0.102 0.000 1.072 155 V CA -0.240 62.041 62.300 -0.030 0.000 1.148 155 V CB 1.049 32.809 31.823 -0.105 0.000 0.954 155 V HN 0.762 nan 8.190 nan 0.000 0.490 156 N N 3.278 121.920 118.700 -0.096 0.000 2.599 156 N HA 0.530 5.270 4.740 -0.000 0.000 0.283 156 N C -1.177 174.353 175.510 0.032 0.000 1.160 156 N CA -0.559 52.444 53.050 -0.078 0.000 0.869 156 N CB 1.200 39.707 38.487 0.033 0.000 1.448 156 N HN 1.024 nan 8.380 nan 0.000 0.535 157 Y N -1.079 119.245 120.300 0.040 0.000 2.814 157 Y HA 0.650 5.200 4.550 -0.000 0.000 0.348 157 Y C -1.329 174.593 175.900 0.037 0.000 1.245 157 Y CA -1.186 56.935 58.100 0.034 0.000 1.086 157 Y CB 0.345 38.822 38.460 0.028 0.000 1.373 157 Y HN 0.131 nan 8.280 nan 0.000 0.451 158 S N 1.292 117.180 115.700 0.314 0.000 2.578 158 S HA 0.760 5.230 4.470 -0.000 0.000 0.301 158 S C -0.926 173.818 174.600 0.240 0.000 1.091 158 S CA -0.752 57.572 58.200 0.208 0.000 1.032 158 S CB 1.302 64.580 63.200 0.131 0.000 1.064 158 S HN 0.524 nan 8.310 nan 0.000 0.508 159 I N 1.708 122.391 120.570 0.189 0.000 2.474 159 I HA 0.430 4.600 4.170 -0.000 0.000 0.294 159 I C -0.453 175.742 176.117 0.130 0.000 1.005 159 I CA -0.345 61.051 61.300 0.160 0.000 1.113 159 I CB 2.147 40.257 38.000 0.183 0.000 1.289 159 I HN 0.458 nan 8.210 nan 0.000 0.436 160 S N 2.795 118.558 115.700 0.106 0.000 2.532 160 S HA 0.528 4.998 4.470 -0.000 0.000 0.299 160 S C -0.256 174.415 174.600 0.118 0.000 1.105 160 S CA -0.598 57.667 58.200 0.109 0.000 1.018 160 S CB 1.628 64.879 63.200 0.085 0.000 1.021 160 S HN 0.724 nan 8.310 nan 0.000 0.483 161 S N 0.770 116.569 115.700 0.165 0.000 2.589 161 S HA 0.620 5.090 4.470 -0.000 0.000 0.210 161 S C 0.448 175.183 174.600 0.226 0.000 0.803 161 S CA -0.089 58.232 58.200 0.202 0.000 1.061 161 S CB -0.389 62.998 63.200 0.311 0.000 1.637 161 S HN 1.621 nan 8.310 nan 0.000 0.462 162 A N 0.887 123.823 122.820 0.193 0.000 5.391 162 A HA -0.355 3.965 4.320 -0.000 0.000 0.315 162 A C 1.760 179.466 177.584 0.203 0.000 1.874 162 A CA 1.376 53.543 52.037 0.216 0.000 0.714 162 A CB -2.321 16.872 19.000 0.322 0.000 1.335 162 A HN 1.571 nan 8.150 nan 0.000 0.382 163 C N 0.088 119.543 119.300 0.260 0.000 2.422 163 C HA 0.293 4.753 4.460 -0.000 0.000 0.286 163 C C 2.825 177.893 174.990 0.131 0.000 1.412 163 C CA 1.358 60.519 59.018 0.239 0.000 1.786 163 C CB -1.975 25.951 27.740 0.311 0.000 1.835 163 C HN 1.463 nan 8.230 nan 0.000 0.533 164 A N 0.181 123.082 122.820 0.136 0.000 2.267 164 A HA 0.119 4.439 4.320 -0.000 0.000 0.213 164 A C 1.930 179.563 177.584 0.081 0.000 1.192 164 A CA 1.006 53.068 52.037 0.041 0.000 0.851 164 A CB -0.671 18.363 19.000 0.057 0.000 0.881 164 A HN 0.459 nan 8.150 nan 0.000 0.494 165 T N 1.480 116.130 114.554 0.159 0.000 2.527 165 T HA -0.275 4.075 4.350 -0.000 0.000 0.258 165 T C 2.196 176.964 174.700 0.114 0.000 1.175 165 T CA 2.750 64.949 62.100 0.164 0.000 1.168 165 T CB -0.535 68.408 68.868 0.124 0.000 0.860 165 T HN 0.810 nan 8.240 nan 0.000 0.429 166 S N 1.191 116.919 115.700 0.047 0.000 2.522 166 S HA 0.302 4.771 4.470 -0.000 0.000 0.227 166 S C 2.172 176.749 174.600 -0.038 0.000 0.986 166 S CA 0.639 58.842 58.200 0.006 0.000 0.929 166 S CB -0.279 62.910 63.200 -0.019 0.000 0.769 166 S HN 0.560 nan 8.310 nan 0.000 0.529 167 A N 1.721 124.502 122.820 -0.065 0.000 1.898 167 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 167 A C 1.889 179.409 177.584 -0.106 0.000 1.183 167 A CA 1.105 53.067 52.037 -0.125 0.000 0.622 167 A CB -0.934 17.954 19.000 -0.186 0.000 0.824 167 A HN 0.646 nan 8.150 nan 0.000 0.444 168 H N -1.445 117.660 119.070 0.058 0.000 2.423 168 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 168 H C 2.157 177.478 175.328 -0.012 0.000 1.075 168 H CA 1.339 57.444 56.048 0.095 0.000 1.342 168 H CB -0.149 29.703 29.762 0.151 0.000 1.395 168 H HN 0.540 nan 8.280 nan 0.000 0.530 169 C N 0.217 119.573 119.300 0.093 0.000 2.432 169 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 169 C C 2.677 177.620 174.990 -0.078 0.000 1.249 169 C CA 0.737 59.770 59.018 0.025 0.000 1.725 169 C CB -0.808 26.942 27.740 0.017 0.000 2.028 169 C HN 0.530 nan 8.230 nan 0.000 0.477 170 I N 1.231 121.723 120.570 -0.130 0.000 2.179 170 I HA -0.117 4.052 4.170 -0.000 0.000 0.242 170 I C 2.754 178.671 176.117 -0.334 0.000 1.088 170 I CA 1.852 63.035 61.300 -0.195 0.000 1.357 170 I CB -0.976 36.916 38.000 -0.179 0.000 1.051 170 I HN 0.449 nan 8.210 nan 0.000 0.409 171 G N 0.599 109.041 108.800 -0.598 0.000 2.418 171 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 171 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 171 G C 1.490 175.977 174.900 -0.689 0.000 1.158 171 G CA 0.745 45.022 45.100 -1.372 0.000 0.771 171 G HN 0.348 nan 8.290 nan 0.000 0.545 172 N N 1.181 119.713 118.700 -0.281 0.000 2.188 172 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 172 N C 2.523 178.001 175.510 -0.052 0.000 1.018 172 N CA 1.169 54.205 53.050 -0.023 0.000 0.858 172 N CB -0.147 38.405 38.487 0.108 0.000 0.989 172 N HN 0.249 nan 8.380 nan 0.000 0.426 173 A N 0.691 123.440 122.820 -0.118 0.000 1.902 173 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 173 A C 2.498 180.016 177.584 -0.110 0.000 1.181 173 A CA 1.191 53.157 52.037 -0.119 0.000 0.623 173 A CB -0.754 18.159 19.000 -0.145 0.000 0.818 173 A HN 0.163 nan 8.150 nan 0.000 0.443 174 V N 0.151 119.982 119.914 -0.138 0.000 2.343 174 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 174 V C 2.403 178.477 176.094 -0.033 0.000 1.051 174 V CA 2.318 64.561 62.300 -0.095 0.000 1.036 174 V CB -0.835 30.920 31.823 -0.113 0.000 0.654 174 V HN 0.644 nan 8.190 nan 0.000 0.451 175 E N -0.590 119.607 120.200 -0.006 0.000 2.110 175 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 175 E C 2.401 179.019 176.600 0.030 0.000 0.988 175 E CA 1.141 57.572 56.400 0.050 0.000 0.804 175 E CB -0.142 29.619 29.700 0.100 0.000 0.745 175 E HN 0.548 nan 8.360 nan 0.000 0.458 176 Q N 0.323 120.129 119.800 0.011 0.000 2.084 176 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 176 Q C 2.290 178.282 176.000 -0.014 0.000 0.978 176 Q CA 1.088 56.894 55.803 0.004 0.000 0.844 176 Q CB -0.209 28.519 28.738 -0.017 0.000 0.898 176 Q HN 0.418 nan 8.270 nan 0.000 0.426 177 I N 0.750 121.300 120.570 -0.034 0.000 2.252 177 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 177 I C 2.398 178.506 176.117 -0.015 0.000 1.102 177 I CA 1.087 62.364 61.300 -0.040 0.000 1.385 177 I CB -0.235 37.730 38.000 -0.059 0.000 1.064 177 I HN 0.260 nan 8.210 nan 0.000 0.414 178 Q N 0.423 120.223 119.800 -0.000 0.000 2.170 178 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 178 Q C 2.137 178.147 176.000 0.017 0.000 0.976 178 Q CA 1.250 57.061 55.803 0.015 0.000 0.858 178 Q CB -0.087 28.670 28.738 0.032 0.000 0.907 178 Q HN 0.540 nan 8.270 nan 0.000 0.433 179 L N -0.633 120.602 121.223 0.019 0.000 2.610 179 L HA 0.080 4.419 4.340 -0.000 0.000 0.232 179 L C 1.178 178.057 176.870 0.014 0.000 1.149 179 L CA 0.390 55.243 54.840 0.021 0.000 0.872 179 L CB -0.223 41.853 42.059 0.028 0.000 0.992 179 L HN 0.422 nan 8.230 nan 0.000 0.447 180 G N 0.328 109.132 108.800 0.006 0.000 2.155 180 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 180 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 180 G C 1.006 175.907 174.900 0.002 0.000 0.983 180 G CA 0.649 45.750 45.100 0.003 0.000 0.676 180 G HN 0.410 nan 8.290 nan 0.000 0.528 181 K N -0.862 119.539 120.400 0.002 0.000 2.305 181 K HA 0.105 4.425 4.320 -0.000 0.000 0.199 181 K C 0.963 177.558 176.600 -0.009 0.000 1.047 181 K CA 0.788 57.078 56.287 0.005 0.000 0.976 181 K CB 0.088 32.599 32.500 0.018 0.000 0.765 181 K HN 0.441 nan 8.250 nan 0.000 0.474 182 Q N -0.432 119.349 119.800 -0.032 0.000 2.416 182 Q HA 0.140 4.479 4.340 -0.000 0.000 0.281 182 Q C -0.571 175.364 176.000 -0.107 0.000 1.067 182 Q CA -0.375 55.389 55.803 -0.064 0.000 0.809 182 Q CB 2.012 30.705 28.738 -0.075 0.000 1.418 182 Q HN -0.060 nan 8.270 nan 0.000 0.411 183 D N 0.227 120.525 120.400 -0.171 0.000 2.324 183 D HA 0.274 4.913 4.640 -0.000 0.000 0.212 183 D C 0.280 176.363 176.300 -0.363 0.000 0.984 183 D CA 0.835 54.659 54.000 -0.293 0.000 0.885 183 D CB 1.299 41.810 40.800 -0.483 0.000 0.996 183 D HN 0.359 nan 8.370 nan 0.000 0.505 184 I N 0.685 121.056 120.570 -0.332 0.000 2.619 184 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 184 I C -1.186 174.714 176.117 -0.361 0.000 1.100 184 I CA -0.774 60.295 61.300 -0.385 0.000 1.043 184 I CB 3.375 41.098 38.000 -0.462 0.000 1.239 184 I HN -0.411 nan 8.210 nan 0.000 0.420 185 V N 5.877 125.550 119.914 -0.403 0.000 2.569 185 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 185 V C -0.709 175.151 176.094 -0.390 0.000 1.044 185 V CA -0.575 61.537 62.300 -0.313 0.000 0.874 185 V CB 1.776 33.483 31.823 -0.194 0.000 1.002 185 V HN 0.383 nan 8.190 nan 0.000 0.424 186 F N 3.440 123.286 119.950 -0.173 0.000 2.438 186 F HA 0.673 5.200 4.527 -0.000 0.000 0.356 186 F C 0.738 176.433 175.800 -0.174 0.000 1.099 186 F CA 0.048 57.927 58.000 -0.202 0.000 1.185 186 F CB 1.170 40.008 39.000 -0.271 0.000 1.115 186 F HN 0.570 nan 8.300 nan 0.000 0.526 187 A N 2.532 125.341 122.820 -0.018 0.000 2.393 187 A HA 0.926 5.246 4.320 -0.000 0.000 0.306 187 A C -0.092 177.463 177.584 -0.049 0.000 1.050 187 A CA 0.091 52.097 52.037 -0.052 0.000 0.724 187 A CB 1.452 20.394 19.000 -0.096 0.000 1.248 187 A HN 1.015 nan 8.150 nan 0.000 0.424 188 G N -0.205 108.572 108.800 -0.038 0.000 2.498 188 G HA2 0.755 4.715 3.960 -0.000 0.000 0.181 188 G HA3 0.755 4.715 3.960 -0.000 0.000 0.181 188 G C -0.160 174.734 174.900 -0.010 0.000 1.169 188 G CA 0.417 45.495 45.100 -0.038 0.000 0.992 188 G HN 2.291 nan 8.290 nan 0.000 0.490 189 G N -2.170 106.631 108.800 0.001 0.000 2.342 189 G HA2 0.798 4.758 3.960 -0.000 0.000 0.297 189 G HA3 0.798 4.758 3.960 -0.000 0.000 0.297 189 G C -0.596 174.335 174.900 0.053 0.000 1.313 189 G CA 0.612 45.731 45.100 0.031 0.000 0.830 189 G HN 2.047 nan 8.290 nan 0.000 0.506 190 G N -1.245 107.603 108.800 0.079 0.000 2.677 190 G HA2 0.673 4.633 3.960 -0.000 0.000 0.291 190 G HA3 0.673 4.633 3.960 -0.000 0.000 0.291 190 G C -1.977 173.000 174.900 0.129 0.000 1.435 190 G CA -0.325 44.853 45.100 0.130 0.000 0.826 190 G HN 0.691 nan 8.290 nan 0.000 0.491 191 E N -0.200 120.111 120.200 0.184 0.000 2.321 191 E HA 0.367 4.717 4.350 -0.000 0.000 0.281 191 E C -0.244 176.485 176.600 0.215 0.000 0.910 191 E CA -0.676 55.810 56.400 0.144 0.000 0.770 191 E CB 1.518 31.269 29.700 0.085 0.000 1.225 191 E HN 0.701 nan 8.360 nan 0.000 0.417 192 E N 2.933 123.217 120.200 0.141 0.000 2.345 192 E HA 0.416 4.766 4.350 -0.000 0.000 0.259 192 E C -0.717 175.946 176.600 0.105 0.000 1.117 192 E CA -0.856 55.624 56.400 0.133 0.000 0.913 192 E CB 1.150 30.879 29.700 0.048 0.000 1.057 192 E HN 0.243 nan 8.360 nan 0.000 0.432 193 L N 2.389 123.652 121.223 0.066 0.000 2.342 193 L HA 0.430 4.770 4.340 -0.000 0.000 0.276 193 L C -1.291 175.611 176.870 0.054 0.000 0.997 193 L CA -0.391 54.449 54.840 -0.001 0.000 0.838 193 L CB 0.749 42.663 42.059 -0.243 0.000 1.224 193 L HN 0.919 nan 8.230 nan 0.000 0.416 194 C N 2.131 121.516 119.300 0.141 0.000 3.170 194 C HA 0.459 4.919 4.460 -0.000 0.000 0.319 194 C C 1.106 176.182 174.990 0.143 0.000 1.260 194 C CA -1.015 58.080 59.018 0.128 0.000 1.374 194 C CB 0.785 28.469 27.740 -0.094 0.000 1.739 194 C HN 1.033 nan 8.230 nan 0.000 0.479 195 W N 0.972 122.381 121.300 0.181 0.000 2.425 195 W HA 0.018 4.678 4.660 -0.000 0.000 0.277 195 W C 1.035 177.610 176.519 0.094 0.000 1.231 195 W CA 1.727 59.142 57.345 0.116 0.000 1.248 195 W CB -1.029 28.462 29.460 0.051 0.000 1.117 195 W HN 0.862 nan 8.180 nan 0.000 0.568 196 E N 0.954 120.526 120.200 -1.046 0.000 2.070 196 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 196 E C 2.349 178.778 176.600 -0.285 0.000 1.004 196 E CA 2.872 58.686 56.400 -0.977 0.000 0.805 196 E CB -0.758 28.418 29.700 -0.874 0.000 0.744 196 E HN 0.379 nan 8.360 nan 0.000 0.451 197 M N -0.630 118.893 119.600 -0.129 0.000 2.357 197 M HA 0.107 4.587 4.480 -0.000 0.000 0.266 197 M C 2.066 178.484 176.300 0.196 0.000 1.095 197 M CA 1.217 56.537 55.300 0.035 0.000 1.156 197 M CB 0.133 32.788 32.600 0.092 0.000 1.365 197 M HN 0.151 nan 8.290 nan 0.000 0.447 198 A N 0.503 123.460 122.820 0.228 0.000 1.940 198 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 198 A C 2.337 180.082 177.584 0.269 0.000 1.176 198 A CA 1.809 54.029 52.037 0.306 0.000 0.631 198 A CB -1.744 17.420 19.000 0.273 0.000 0.814 198 A HN 0.877 nan 8.150 nan 0.000 0.446 199 C N -0.518 118.923 119.300 0.235 0.000 2.419 199 C HA -0.041 4.419 4.460 -0.000 0.000 0.281 199 C C 2.140 177.197 174.990 0.111 0.000 1.336 199 C CA 0.984 60.122 59.018 0.200 0.000 1.770 199 C CB -1.540 26.373 27.740 0.288 0.000 1.929 199 C HN 0.656 nan 8.230 nan 0.000 0.509 200 E N 0.381 120.608 120.200 0.045 0.000 2.106 200 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 200 E C 1.735 178.224 176.600 -0.185 0.000 0.984 200 E CA 1.391 57.723 56.400 -0.113 0.000 0.806 200 E CB -0.304 29.243 29.700 -0.254 0.000 0.750 200 E HN 0.773 nan 8.360 nan 0.000 0.458 201 F N 1.120 121.062 119.950 -0.013 0.000 2.234 201 F HA -0.104 4.423 4.527 -0.000 0.000 0.296 201 F C 2.212 177.985 175.800 -0.044 0.000 1.089 201 F CA 0.938 58.918 58.000 -0.033 0.000 1.343 201 F CB -0.086 38.894 39.000 -0.033 0.000 1.040 201 F HN -0.049 nan 8.300 nan 0.000 0.498 202 D N 0.296 120.780 120.400 0.140 0.000 2.144 202 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 202 D C 2.196 178.526 176.300 0.050 0.000 0.984 202 D CA 1.168 55.206 54.000 0.063 0.000 0.834 202 D CB -0.172 40.665 40.800 0.062 0.000 0.955 202 D HN 0.174 nan 8.370 nan 0.000 0.465 203 A N -0.314 122.533 122.820 0.044 0.000 2.172 203 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 203 A C 2.166 179.766 177.584 0.027 0.000 1.154 203 A CA 0.749 52.802 52.037 0.028 0.000 0.701 203 A CB -0.413 18.596 19.000 0.014 0.000 0.789 203 A HN 0.280 nan 8.150 nan 0.000 0.465 204 M N -2.143 117.482 119.600 0.041 0.000 2.492 204 M HA 0.177 4.657 4.480 -0.000 0.000 0.255 204 M C 1.337 177.695 176.300 0.097 0.000 1.139 204 M CA 0.825 56.167 55.300 0.069 0.000 1.096 204 M CB 0.490 33.147 32.600 0.095 0.000 1.360 204 M HN 0.604 nan 8.290 nan 0.000 0.480 205 G N 0.538 109.386 108.800 0.080 0.000 2.136 205 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 205 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 205 G C 0.703 175.659 174.900 0.093 0.000 0.989 205 G CA 0.358 45.500 45.100 0.070 0.000 0.682 205 G HN 0.545 nan 8.290 nan 0.000 0.522 206 A N -0.840 122.054 122.820 0.123 0.000 2.132 206 A HA 0.660 4.980 4.320 -0.000 0.000 0.213 206 A C 1.227 178.713 177.584 -0.163 0.000 1.154 206 A CA 0.681 52.816 52.037 0.165 0.000 0.753 206 A CB 0.131 19.416 19.000 0.476 0.000 0.826 206 A HN 0.639 nan 8.150 nan 0.000 0.469 207 L N 0.045 121.118 121.223 -0.250 0.000 2.343 207 L HA 0.341 4.681 4.340 -0.000 0.000 0.275 207 L C 0.727 177.517 176.870 -0.134 0.000 1.056 207 L CA -0.576 54.038 54.840 -0.377 0.000 0.804 207 L CB 1.599 43.473 42.059 -0.308 0.000 1.203 207 L HN 0.162 nan 8.230 nan 0.000 0.440 208 S N 0.200 115.851 115.700 -0.082 0.000 2.549 208 S HA 0.153 4.623 4.470 -0.000 0.000 0.283 208 S C 0.729 175.336 174.600 0.012 0.000 1.320 208 S CA 0.176 58.400 58.200 0.040 0.000 1.058 208 S CB 0.437 63.706 63.200 0.115 0.000 0.882 208 S HN 0.823 nan 8.310 nan 0.000 0.498 209 T N 1.270 115.828 114.554 0.008 0.000 3.130 209 T HA 0.347 4.697 4.350 -0.000 0.000 0.288 209 T C 0.700 175.334 174.700 -0.110 0.000 0.936 209 T CA -0.459 61.595 62.100 -0.077 0.000 0.897 209 T CB -0.087 68.721 68.868 -0.100 0.000 1.178 209 T HN 0.596 nan 8.240 nan 0.000 0.543 210 K N 0.383 120.707 120.400 -0.127 0.000 2.387 210 K HA 0.275 4.595 4.320 -0.000 0.000 0.198 210 K C -0.479 175.774 176.600 -0.580 0.000 1.022 210 K CA 0.100 56.170 56.287 -0.361 0.000 1.128 210 K CB 0.230 32.447 32.500 -0.472 0.000 0.853 210 K HN 0.466 nan 8.250 nan 0.000 0.523 211 Y N -0.474 119.826 120.300 -0.000 0.000 2.715 211 Y HA 0.194 4.744 4.550 -0.000 0.000 0.255 211 Y C 0.841 176.766 175.900 0.041 0.000 1.139 211 Y CA -0.648 57.464 58.100 0.020 0.000 1.151 211 Y CB 0.195 38.673 38.460 0.030 0.000 1.201 211 Y HN -0.001 nan 8.280 nan 0.000 0.556 212 N N 0.674 119.448 118.700 0.123 0.000 2.348 212 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 212 N C 0.871 176.493 175.510 0.188 0.000 1.019 212 N CA 1.404 54.565 53.050 0.185 0.000 0.880 212 N CB 0.061 38.652 38.487 0.174 0.000 0.965 212 N HN 0.482 nan 8.380 nan 0.000 0.437 213 D N -0.261 120.201 120.400 0.105 0.000 2.323 213 D HA -0.018 4.622 4.640 -0.000 0.000 0.209 213 D C 0.460 176.801 176.300 0.068 0.000 0.973 213 D CA 0.832 54.861 54.000 0.048 0.000 0.874 213 D CB 0.185 40.994 40.800 0.015 0.000 0.930 213 D HN 0.317 nan 8.370 nan 0.000 0.521 214 T N -1.941 112.688 114.554 0.124 0.000 3.410 214 T HA 0.328 4.678 4.350 -0.000 0.000 0.328 214 T C -2.349 172.436 174.700 0.141 0.000 1.567 214 T CA -1.656 60.516 62.100 0.119 0.000 1.626 214 T CB 1.826 70.769 68.868 0.124 0.000 0.939 214 T HN -0.294 nan 8.240 nan 0.000 0.656 215 P HA -0.164 nan 4.420 nan 0.000 0.216 215 P C 1.353 178.716 177.300 0.106 0.000 1.154 215 P CA 1.313 64.506 63.100 0.156 0.000 0.865 215 P CB 0.129 31.943 31.700 0.191 0.000 0.789 216 E N -0.808 119.440 120.200 0.080 0.000 2.472 216 E HA -0.128 4.222 4.350 -0.000 0.000 0.200 216 E C 1.322 177.925 176.600 0.003 0.000 1.046 216 E CA 0.723 57.150 56.400 0.045 0.000 0.871 216 E CB -0.228 29.495 29.700 0.038 0.000 0.806 216 E HN 0.388 nan 8.360 nan 0.000 0.533 217 K N -0.429 119.963 120.400 -0.015 0.000 2.358 217 K HA 0.208 4.528 4.320 -0.000 0.000 0.200 217 K C 1.720 178.143 176.600 -0.295 0.000 1.030 217 K CA 0.238 56.453 56.287 -0.119 0.000 1.097 217 K CB 0.711 33.156 32.500 -0.091 0.000 0.862 217 K HN -0.026 nan 8.250 nan 0.000 0.534 218 A N 1.219 123.954 122.820 -0.142 0.000 1.865 218 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 218 A C 1.397 178.896 177.584 -0.141 0.000 1.191 218 A CA 1.291 53.252 52.037 -0.125 0.000 0.623 218 A CB -0.247 18.808 19.000 0.092 0.000 0.826 218 A HN 0.169 nan 8.150 nan 0.000 0.444 219 S N 0.664 116.330 115.700 -0.058 0.000 2.422 219 S HA 0.388 4.858 4.470 -0.000 0.000 0.283 219 S C 0.319 174.871 174.600 -0.080 0.000 1.163 219 S CA -0.560 57.625 58.200 -0.026 0.000 1.054 219 S CB -0.223 62.990 63.200 0.022 0.000 0.967 219 S HN 0.482 nan 8.310 nan 0.000 0.499 220 R N 2.841 123.286 120.500 -0.092 0.000 2.638 220 R HA 0.206 4.546 4.340 -0.000 0.000 0.261 220 R C -0.690 175.561 176.300 -0.083 0.000 1.515 220 R CA -0.648 55.397 56.100 -0.093 0.000 1.623 220 R CB -0.820 29.397 30.300 -0.138 0.000 1.347 220 R HN 0.402 nan 8.270 nan 0.000 0.705 221 T N 2.105 116.570 114.554 -0.149 0.000 2.891 221 T HA -0.096 4.254 4.350 -0.000 0.000 0.296 221 T C -0.022 174.508 174.700 -0.284 0.000 1.025 221 T CA 0.915 62.806 62.100 -0.349 0.000 1.149 221 T CB -0.115 68.407 68.868 -0.577 0.000 1.007 221 T HN 0.544 nan 8.240 nan 0.000 0.528 222 Y N -1.387 118.926 120.300 0.022 0.000 4.929 222 Y HA -0.212 4.338 4.550 -0.000 0.000 0.253 222 Y C 0.701 176.612 175.900 0.019 0.000 0.946 222 Y CA 0.470 58.581 58.100 0.018 0.000 1.905 222 Y CB -2.351 36.117 38.460 0.013 0.000 1.400 222 Y HN 0.779 nan 8.280 nan 0.000 0.531 223 D N 0.259 120.731 120.400 0.119 0.000 2.345 223 D HA 0.589 5.229 4.640 -0.000 0.000 0.247 223 D C 1.272 177.618 176.300 0.077 0.000 1.108 223 D CA 0.727 54.786 54.000 0.100 0.000 0.894 223 D CB 1.329 42.173 40.800 0.075 0.000 1.203 223 D HN 0.236 nan 8.370 nan 0.000 0.430 224 A N 3.062 125.911 122.820 0.049 0.000 2.024 224 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 224 A C 1.115 178.549 177.584 -0.250 0.000 1.164 224 A CA 1.451 53.426 52.037 -0.103 0.000 0.643 224 A CB -0.588 18.310 19.000 -0.170 0.000 0.806 224 A HN 0.771 nan 8.150 nan 0.000 0.451 225 H N -0.485 118.643 119.070 0.096 0.000 2.488 225 H HA 0.208 4.764 4.556 -0.000 0.000 0.294 225 H C 0.463 175.899 175.328 0.181 0.000 1.088 225 H CA -0.282 55.852 56.048 0.142 0.000 1.086 225 H CB -0.003 29.872 29.762 0.189 0.000 1.569 225 H HN 0.609 nan 8.280 nan 0.000 0.548 226 R N 1.241 121.840 120.500 0.165 0.000 2.643 226 R HA 0.052 4.392 4.340 -0.000 0.000 0.270 226 R C -0.431 175.974 176.300 0.175 0.000 1.061 226 R CA 0.238 56.420 56.100 0.137 0.000 1.107 226 R CB 0.511 30.850 30.300 0.065 0.000 0.999 226 R HN 0.228 nan 8.270 nan 0.000 0.460 227 D N 0.435 120.954 120.400 0.198 0.000 2.785 227 D HA 0.226 4.866 4.640 -0.000 0.000 0.324 227 D C 0.041 176.417 176.300 0.127 0.000 1.523 227 D CA 0.021 54.121 54.000 0.167 0.000 0.789 227 D CB 0.466 41.381 40.800 0.191 0.000 1.171 227 D HN 0.904 nan 8.370 nan 0.000 0.447 228 G N 0.395 109.273 108.800 0.129 0.000 2.392 228 G HA2 0.239 4.199 3.960 -0.000 0.000 0.677 228 G HA3 0.239 4.199 3.960 -0.000 0.000 0.677 228 G C -0.632 174.359 174.900 0.151 0.000 1.334 228 G CA -0.692 44.481 45.100 0.121 0.000 0.961 228 G HN 0.299 nan 8.290 nan 0.000 0.616 229 F N -0.563 119.456 119.950 0.116 0.000 2.368 229 F HA 0.832 5.359 4.527 -0.000 0.000 0.315 229 F C 0.225 176.081 175.800 0.094 0.000 1.145 229 F CA -1.424 56.638 58.000 0.103 0.000 1.095 229 F CB 1.239 40.333 39.000 0.157 0.000 1.286 229 F HN 0.406 nan 8.300 nan 0.000 0.530 230 V N 3.775 123.903 119.914 0.357 0.000 2.357 230 V HA 0.276 4.396 4.120 -0.000 0.000 0.284 230 V C 0.167 176.487 176.094 0.377 0.000 1.018 230 V CA -0.879 61.556 62.300 0.224 0.000 0.841 230 V CB 1.128 33.061 31.823 0.184 0.000 0.991 230 V HN 0.855 nan 8.190 nan 0.000 0.437 231 I N 4.537 125.270 120.570 0.272 0.000 2.754 231 I HA 0.534 4.704 4.170 -0.000 0.000 0.285 231 I C 0.487 176.737 176.117 0.222 0.000 1.166 231 I CA 0.502 61.975 61.300 0.288 0.000 1.417 231 I CB 0.911 39.015 38.000 0.174 0.000 1.382 231 I HN 0.814 nan 8.210 nan 0.000 0.588 232 A N 4.793 127.692 122.820 0.131 0.000 2.569 232 A HA 0.891 5.211 4.320 -0.000 0.000 0.290 232 A C -0.635 176.939 177.584 -0.015 0.000 1.136 232 A CA -0.115 51.948 52.037 0.044 0.000 0.710 232 A CB 1.329 20.362 19.000 0.056 0.000 1.303 232 A HN 0.833 nan 8.150 nan 0.000 0.413 233 G N -1.915 106.827 108.800 -0.096 0.000 2.818 233 G HA2 0.932 4.892 3.960 -0.000 0.000 0.286 233 G HA3 0.932 4.892 3.960 -0.000 0.000 0.286 233 G C -0.051 174.714 174.900 -0.225 0.000 1.364 233 G CA -0.245 44.806 45.100 -0.082 0.000 0.938 233 G HN 2.325 nan 8.290 nan 0.000 0.490 234 G N -2.171 106.461 108.800 -0.280 0.000 2.340 234 G HA2 0.615 4.575 3.960 -0.000 0.000 0.282 234 G HA3 0.615 4.575 3.960 -0.000 0.000 0.282 234 G C -0.305 174.536 174.900 -0.099 0.000 1.312 234 G CA 0.224 45.012 45.100 -0.520 0.000 0.942 234 G HN 2.024 nan 8.290 nan 0.000 0.495 235 G N -1.924 106.831 108.800 -0.075 0.000 2.682 235 G HA2 1.030 4.989 3.960 -0.000 0.000 0.290 235 G HA3 1.030 4.989 3.960 -0.000 0.000 0.290 235 G C -0.343 174.544 174.900 -0.022 0.000 1.425 235 G CA 0.415 45.537 45.100 0.038 0.000 0.807 235 G HN 2.168 nan 8.290 nan 0.000 0.482 236 G N -1.396 107.390 108.800 -0.024 0.000 2.632 236 G HA2 0.669 4.629 3.960 -0.000 0.000 0.292 236 G HA3 0.669 4.629 3.960 -0.000 0.000 0.292 236 G C -1.753 173.109 174.900 -0.063 0.000 1.465 236 G CA -0.553 44.506 45.100 -0.068 0.000 0.824 236 G HN 1.014 nan 8.290 nan 0.000 0.509 237 M N 0.844 120.396 119.600 -0.080 0.000 2.365 237 M HA 0.652 5.132 4.480 -0.000 0.000 0.288 237 M C -1.060 175.195 176.300 -0.074 0.000 1.152 237 M CA -0.678 54.579 55.300 -0.072 0.000 0.948 237 M CB 2.230 34.777 32.600 -0.089 0.000 1.729 237 M HN 1.260 nan 8.290 nan 0.000 0.487 238 V N 1.581 121.455 119.914 -0.067 0.000 2.914 238 V HA 0.925 5.045 4.120 -0.000 0.000 0.314 238 V C -1.192 174.859 176.094 -0.072 0.000 1.084 238 V CA -0.924 61.328 62.300 -0.080 0.000 0.963 238 V CB 1.900 33.653 31.823 -0.117 0.000 1.025 238 V HN 0.615 nan 8.190 nan 0.000 0.432 239 V N 3.274 123.134 119.914 -0.091 0.000 2.348 239 V HA 0.377 4.497 4.120 -0.000 0.000 0.270 239 V C 0.112 176.084 176.094 -0.204 0.000 1.037 239 V CA -0.393 61.773 62.300 -0.223 0.000 0.872 239 V CB 1.110 32.810 31.823 -0.205 0.000 1.002 239 V HN 0.729 nan 8.190 nan 0.000 0.464 240 V N 5.135 124.898 119.914 -0.251 0.000 2.406 240 V HA 0.432 4.552 4.120 -0.000 0.000 0.272 240 V C 0.110 176.073 176.094 -0.218 0.000 1.043 240 V CA -0.244 61.942 62.300 -0.190 0.000 0.915 240 V CB 1.255 32.973 31.823 -0.174 0.000 0.988 240 V HN 0.969 nan 8.190 nan 0.000 0.466 241 E N 2.888 122.995 120.200 -0.156 0.000 2.317 241 E HA 0.348 4.698 4.350 -0.000 0.000 0.270 241 E C -0.720 175.825 176.600 -0.091 0.000 0.885 241 E CA -0.752 55.557 56.400 -0.151 0.000 0.760 241 E CB 1.750 31.382 29.700 -0.113 0.000 1.227 241 E HN 0.686 nan 8.360 nan 0.000 0.434 242 E N 3.756 123.903 120.200 -0.088 0.000 2.360 242 E HA -0.025 4.324 4.350 -0.000 0.000 0.269 242 E C 0.808 177.415 176.600 0.012 0.000 1.022 242 E CA -0.110 56.269 56.400 -0.034 0.000 0.887 242 E CB 1.148 30.831 29.700 -0.028 0.000 0.990 242 E HN 0.631 nan 8.360 nan 0.000 0.426 243 L N 5.665 126.890 121.223 0.004 0.000 1.978 243 L HA -0.254 4.086 4.340 -0.000 0.000 0.218 243 L C 1.927 178.809 176.870 0.020 0.000 1.075 243 L CA 2.008 56.851 54.840 0.005 0.000 0.767 243 L CB -0.411 41.645 42.059 -0.005 0.000 0.890 243 L HN 0.568 nan 8.230 nan 0.000 0.434 244 E N -1.063 119.153 120.200 0.027 0.000 2.085 244 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 244 E C 2.233 178.853 176.600 0.033 0.000 0.994 244 E CA 1.472 57.885 56.400 0.022 0.000 0.801 244 E CB -0.710 29.003 29.700 0.022 0.000 0.743 244 E HN 0.681 nan 8.360 nan 0.000 0.453 245 H N 0.468 119.522 119.070 -0.026 0.000 2.353 245 H HA -0.011 4.545 4.556 -0.000 0.000 0.300 245 H C 1.859 177.170 175.328 -0.029 0.000 1.090 245 H CA 1.705 57.737 56.048 -0.026 0.000 1.327 245 H CB 0.178 29.921 29.762 -0.032 0.000 1.383 245 H HN 0.129 nan 8.280 nan 0.000 0.508 246 A N 1.145 124.039 122.820 0.123 0.000 1.873 246 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 246 A C 2.882 180.460 177.584 -0.009 0.000 1.186 246 A CA 1.151 53.222 52.037 0.057 0.000 0.616 246 A CB -0.855 18.159 19.000 0.025 0.000 0.823 246 A HN 0.404 nan 8.150 nan 0.000 0.442 247 L N -0.730 120.482 121.223 -0.018 0.000 2.046 247 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 247 L C 3.092 179.935 176.870 -0.046 0.000 1.077 247 L CA 1.030 55.851 54.840 -0.032 0.000 0.747 247 L CB -0.581 41.461 42.059 -0.027 0.000 0.896 247 L HN 0.446 nan 8.230 nan 0.000 0.432 248 A N 1.076 123.855 122.820 -0.069 0.000 1.940 248 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 248 A C 2.235 179.761 177.584 -0.098 0.000 1.176 248 A CA 1.815 53.796 52.037 -0.093 0.000 0.631 248 A CB -0.515 18.403 19.000 -0.138 0.000 0.814 248 A HN 0.584 nan 8.150 nan 0.000 0.446 249 R N -1.209 119.225 120.500 -0.109 0.000 2.359 249 R HA 0.344 4.684 4.340 -0.000 0.000 0.231 249 R C 0.948 177.226 176.300 -0.036 0.000 0.913 249 R CA 0.623 56.676 56.100 -0.078 0.000 1.075 249 R CB -0.631 29.617 30.300 -0.086 0.000 1.087 249 R HN 0.756 nan 8.270 nan 0.000 0.515 250 G N 0.832 109.613 108.800 -0.033 0.000 2.246 250 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.273 250 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.273 250 G C 0.282 175.178 174.900 -0.006 0.000 1.055 250 G CA 0.167 45.256 45.100 -0.019 0.000 0.851 250 G HN 0.713 nan 8.290 nan 0.000 0.500 251 A N 0.092 122.909 122.820 -0.006 0.000 2.386 251 A HA 0.544 4.864 4.320 -0.000 0.000 0.248 251 A C 0.657 178.239 177.584 -0.002 0.000 1.082 251 A CA 0.096 52.139 52.037 0.010 0.000 0.789 251 A CB 0.244 19.252 19.000 0.014 0.000 1.025 251 A HN 0.989 nan 8.150 nan 0.000 0.490 252 H N 1.980 120.997 119.070 -0.088 0.000 2.668 252 H HA 0.409 4.965 4.556 -0.000 0.000 0.303 252 H C -1.006 174.205 175.328 -0.194 0.000 1.074 252 H CA -0.092 55.859 56.048 -0.162 0.000 1.406 252 H CB 0.308 29.938 29.762 -0.220 0.000 1.442 252 H HN 0.471 nan 8.280 nan 0.000 0.482 253 I N 6.610 126.776 120.570 -0.673 0.000 2.321 253 I HA -0.007 4.163 4.170 -0.000 0.000 0.291 253 I C 0.155 175.892 176.117 -0.633 0.000 0.998 253 I CA -0.615 60.398 61.300 -0.478 0.000 1.227 253 I CB 1.116 38.979 38.000 -0.228 0.000 1.368 253 I HN 0.649 nan 8.210 nan 0.000 0.466 254 Y N 4.989 125.085 120.300 -0.339 0.000 2.206 254 Y HA 0.256 4.806 4.550 -0.000 0.000 0.292 254 Y C 1.238 177.059 175.900 -0.131 0.000 1.123 254 Y CA 0.945 58.926 58.100 -0.197 0.000 1.142 254 Y CB 0.158 38.581 38.460 -0.061 0.000 1.006 254 Y HN 0.673 nan 8.280 nan 0.000 0.518 255 A N -0.735 122.123 122.820 0.064 0.000 2.544 255 A HA 0.415 4.735 4.320 -0.000 0.000 0.291 255 A C -1.477 176.107 177.584 -0.000 0.000 1.055 255 A CA -0.834 51.215 52.037 0.018 0.000 0.651 255 A CB 0.702 19.724 19.000 0.035 0.000 1.296 255 A HN 0.084 nan 8.150 nan 0.000 0.431 256 E N 0.494 120.690 120.200 -0.007 0.000 2.204 256 E HA 0.604 4.954 4.350 -0.000 0.000 0.276 256 E C -1.116 175.481 176.600 -0.004 0.000 0.974 256 E CA -0.598 55.796 56.400 -0.011 0.000 0.815 256 E CB 0.872 30.566 29.700 -0.010 0.000 1.119 256 E HN 0.484 nan 8.360 nan 0.000 0.393 257 I N 5.821 126.385 120.570 -0.009 0.000 2.294 257 I HA 0.029 4.199 4.170 -0.000 0.000 0.295 257 I C 1.068 177.196 176.117 0.018 0.000 1.098 257 I CA -0.320 60.978 61.300 -0.002 0.000 1.277 257 I CB 0.868 38.854 38.000 -0.024 0.000 1.434 257 I HN 0.516 nan 8.210 nan 0.000 0.498 258 V N 2.689 122.619 119.914 0.027 0.000 3.608 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.269 258 V C 0.739 176.867 176.094 0.056 0.000 1.245 258 V CA 0.248 62.569 62.300 0.034 0.000 1.138 258 V CB -0.233 31.605 31.823 0.024 0.000 0.841 258 V HN 0.714 nan 8.190 nan 0.000 0.451 259 G N -0.497 108.349 108.800 0.077 0.000 2.766 259 G HA2 0.529 4.489 3.960 -0.000 0.000 0.297 259 G HA3 0.529 4.489 3.960 -0.000 0.000 0.297 259 G C -2.300 172.706 174.900 0.177 0.000 1.431 259 G CA -0.548 44.617 45.100 0.109 0.000 1.042 259 G HN 0.328 nan 8.290 nan 0.000 0.542 260 Y N 1.352 121.670 120.300 0.030 0.000 2.332 260 Y HA 0.698 5.248 4.550 -0.000 0.000 0.325 260 Y C -0.146 175.779 175.900 0.042 0.000 1.054 260 Y CA -1.230 56.887 58.100 0.028 0.000 1.119 260 Y CB 1.815 40.293 38.460 0.029 0.000 1.168 260 Y HN 0.835 nan 8.280 nan 0.000 0.439 261 G N 3.116 111.812 108.800 -0.172 0.000 2.452 261 G HA2 0.760 4.720 3.960 -0.000 0.000 0.324 261 G HA3 0.760 4.720 3.960 -0.000 0.000 0.324 261 G C -1.724 172.963 174.900 -0.355 0.000 1.214 261 G CA -0.635 44.297 45.100 -0.280 0.000 0.947 261 G HN 1.133 nan 8.290 nan 0.000 0.478 262 A N 1.460 124.090 122.820 -0.316 0.000 2.442 262 A HA 0.865 5.185 4.320 -0.000 0.000 0.284 262 A C -0.025 177.550 177.584 -0.015 0.000 1.058 262 A CA -0.068 51.931 52.037 -0.064 0.000 0.738 262 A CB 1.307 20.260 19.000 -0.078 0.000 1.242 262 A HN 1.572 nan 8.150 nan 0.000 0.421 263 T N -1.449 113.143 114.554 0.063 0.000 2.716 263 T HA 0.862 5.212 4.350 -0.000 0.000 0.286 263 T C -0.314 174.413 174.700 0.045 0.000 1.052 263 T CA -0.479 61.633 62.100 0.020 0.000 1.024 263 T CB 1.716 70.575 68.868 -0.015 0.000 1.349 263 T HN 1.393 nan 8.240 nan 0.000 0.525 264 S N -0.975 114.731 115.700 0.009 0.000 2.547 264 S HA 0.456 4.926 4.470 -0.000 0.000 0.281 264 S C -0.228 174.366 174.600 -0.010 0.000 1.118 264 S CA -0.620 57.588 58.200 0.013 0.000 0.947 264 S CB 1.589 64.793 63.200 0.007 0.000 1.053 264 S HN 0.688 nan 8.310 nan 0.000 0.482 265 D N 2.826 123.220 120.400 -0.009 0.000 2.137 265 D HA 0.138 4.778 4.640 -0.000 0.000 0.202 265 D C 1.507 177.797 176.300 -0.017 0.000 0.970 265 D CA 1.451 55.434 54.000 -0.027 0.000 0.837 265 D CB -0.528 40.254 40.800 -0.030 0.000 0.981 265 D HN 1.050 nan 8.370 nan 0.000 0.475 266 G N 0.296 109.094 108.800 -0.003 0.000 2.305 266 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.287 266 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.287 266 G C 0.671 175.570 174.900 -0.002 0.000 1.036 266 G CA 0.951 46.050 45.100 -0.001 0.000 0.887 266 G HN 0.621 nan 8.290 nan 0.000 0.505 267 A N -0.907 121.914 122.820 0.000 0.000 1.857 267 A HA 0.681 5.001 4.320 -0.000 0.000 0.192 267 A C 0.545 178.136 177.584 0.011 0.000 2.203 267 A CA 1.129 53.166 52.037 0.000 0.000 1.377 267 A CB 0.228 19.222 19.000 -0.010 0.000 0.976 267 A HN 0.526 nan 8.150 nan 0.000 0.594 268 D N -1.647 118.761 120.400 0.014 0.000 2.326 268 D HA 0.470 5.109 4.640 -0.000 0.000 0.251 268 D C 1.163 177.491 176.300 0.046 0.000 1.023 268 D CA -0.509 53.508 54.000 0.028 0.000 0.966 268 D CB 0.760 41.576 40.800 0.026 0.000 1.156 268 D HN 0.103 nan 8.370 nan 0.000 0.494 269 M N 1.133 120.772 119.600 0.065 0.000 2.134 269 M HA 0.043 4.523 4.480 -0.000 0.000 0.262 269 M C 0.626 177.014 176.300 0.147 0.000 1.076 269 M CA 1.121 56.477 55.300 0.095 0.000 1.143 269 M CB -0.291 32.363 32.600 0.090 0.000 1.346 269 M HN 0.435 nan 8.290 nan 0.000 0.421 270 V N -1.415 118.595 119.914 0.160 0.000 2.446 270 V HA 0.819 4.939 4.120 -0.000 0.000 0.257 270 V C -0.599 175.553 176.094 0.098 0.000 1.036 270 V CA -0.659 61.784 62.300 0.238 0.000 1.196 270 V CB -0.447 31.618 31.823 0.403 0.000 1.446 270 V HN 0.272 nan 8.190 nan 0.000 0.558 271 A N 2.435 125.261 122.820 0.011 0.000 2.521 271 A HA 0.761 5.081 4.320 -0.000 0.000 0.298 271 A C -3.289 174.270 177.584 -0.041 0.000 1.044 271 A CA -0.848 51.177 52.037 -0.020 0.000 0.911 271 A CB 1.076 20.088 19.000 0.020 0.000 1.376 271 A HN 0.418 nan 8.150 nan 0.000 0.392 272 P HA 0.159 nan 4.420 nan 0.000 0.266 272 P C 1.087 178.346 177.300 -0.068 0.000 1.195 272 P CA 0.479 63.532 63.100 -0.079 0.000 0.768 272 P CB 1.052 32.701 31.700 -0.085 0.000 0.838 273 S N 1.495 117.144 115.700 -0.084 0.000 2.486 273 S HA 0.180 4.650 4.470 -0.000 0.000 0.220 273 S C 1.682 176.228 174.600 -0.090 0.000 1.011 273 S CA 0.725 58.883 58.200 -0.070 0.000 0.921 273 S CB -0.753 62.409 63.200 -0.062 0.000 0.785 273 S HN 0.677 nan 8.310 nan 0.000 0.517 274 G N 1.920 110.633 108.800 -0.144 0.000 2.498 274 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.229 274 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.229 274 G C 0.948 175.750 174.900 -0.165 0.000 1.156 274 G CA 0.581 45.586 45.100 -0.160 0.000 0.680 274 G HN 0.470 nan 8.290 nan 0.000 0.512 275 E N 1.759 121.887 120.200 -0.120 0.000 2.058 275 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 275 E C 2.661 179.186 176.600 -0.125 0.000 0.997 275 E CA 2.306 58.645 56.400 -0.102 0.000 0.801 275 E CB -0.995 28.662 29.700 -0.073 0.000 0.746 275 E HN 0.652 nan 8.360 nan 0.000 0.450 276 G N 0.705 109.420 108.800 -0.141 0.000 2.422 276 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 276 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 276 G C 1.736 176.509 174.900 -0.212 0.000 1.146 276 G CA 1.306 46.321 45.100 -0.142 0.000 0.769 276 G HN 0.429 nan 8.290 nan 0.000 0.547 277 A N 0.135 122.727 122.820 -0.380 0.000 1.933 277 A HA 0.099 4.418 4.320 -0.000 0.000 0.218 277 A C 2.591 180.017 177.584 -0.265 0.000 1.175 277 A CA 1.715 53.377 52.037 -0.624 0.000 0.628 277 A CB -0.542 17.796 19.000 -1.104 0.000 0.814 277 A HN 0.242 nan 8.150 nan 0.000 0.444 278 V N -0.013 119.790 119.914 -0.185 0.000 2.295 278 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 278 V C 2.641 178.680 176.094 -0.092 0.000 1.049 278 V CA 2.260 64.494 62.300 -0.109 0.000 1.024 278 V CB -0.780 30.986 31.823 -0.096 0.000 0.648 278 V HN 0.528 nan 8.190 nan 0.000 0.447 279 R N -1.066 119.378 120.500 -0.093 0.000 2.096 279 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 279 R C 2.411 178.675 176.300 -0.060 0.000 1.127 279 R CA 1.690 57.744 56.100 -0.077 0.000 0.968 279 R CB -0.873 29.382 30.300 -0.075 0.000 0.861 279 R HN 0.573 nan 8.270 nan 0.000 0.440 280 C N 0.730 120.005 119.300 -0.042 0.000 2.432 280 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 280 C C 2.605 177.617 174.990 0.037 0.000 1.249 280 C CA 0.874 59.901 59.018 0.014 0.000 1.725 280 C CB -0.658 27.148 27.740 0.109 0.000 2.028 280 C HN 0.460 nan 8.230 nan 0.000 0.477 281 M N 0.045 119.676 119.600 0.053 0.000 2.175 281 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 281 M C 2.279 178.558 176.300 -0.035 0.000 1.063 281 M CA 1.690 57.017 55.300 0.045 0.000 1.119 281 M CB -0.441 32.194 32.600 0.059 0.000 1.377 281 M HN 0.382 nan 8.290 nan 0.000 0.415 282 K N 0.074 120.433 120.400 -0.069 0.000 2.097 282 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 282 K C 1.992 178.573 176.600 -0.031 0.000 1.050 282 K CA 1.317 57.558 56.287 -0.077 0.000 0.938 282 K CB -0.209 32.241 32.500 -0.083 0.000 0.718 282 K HN 0.350 nan 8.250 nan 0.000 0.442 283 M N 0.556 120.132 119.600 -0.040 0.000 2.117 283 M HA -0.149 4.331 4.480 -0.000 0.000 0.262 283 M C 2.073 178.376 176.300 0.006 0.000 1.065 283 M CA 1.695 56.968 55.300 -0.045 0.000 1.114 283 M CB -0.071 32.477 32.600 -0.086 0.000 1.361 283 M HN 0.154 nan 8.290 nan 0.000 0.408 284 A N -0.013 122.814 122.820 0.012 0.000 2.015 284 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 284 A C 1.835 179.456 177.584 0.061 0.000 1.163 284 A CA 1.104 53.170 52.037 0.048 0.000 0.646 284 A CB -0.423 18.614 19.000 0.063 0.000 0.806 284 A HN 0.562 nan 8.150 nan 0.000 0.448 285 M N -0.581 119.044 119.600 0.042 0.000 2.561 285 M HA 0.089 4.569 4.480 -0.000 0.000 0.238 285 M C 0.319 176.651 176.300 0.052 0.000 1.131 285 M CA 0.142 55.461 55.300 0.032 0.000 1.046 285 M CB -1.276 31.308 32.600 -0.027 0.000 1.532 285 M HN 0.512 nan 8.290 nan 0.000 0.497 286 H N 0.624 119.681 119.070 -0.022 0.000 3.046 286 H HA 0.320 4.876 4.556 -0.000 0.000 0.303 286 H C 1.309 176.633 175.328 -0.006 0.000 1.002 286 H CA 1.683 57.720 56.048 -0.019 0.000 1.460 286 H CB 0.137 29.886 29.762 -0.021 0.000 1.493 286 H HN 0.585 nan 8.280 nan 0.000 0.559 287 G N 3.236 111.822 108.800 -0.357 0.000 2.199 287 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 287 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 287 G C -0.084 174.756 174.900 -0.099 0.000 0.982 287 G CA 0.254 45.209 45.100 -0.241 0.000 0.632 287 G HN 0.654 nan 8.290 nan 0.000 0.529 288 V N 1.995 121.875 119.914 -0.056 0.000 2.339 288 V HA 0.315 4.435 4.120 -0.000 0.000 0.261 288 V C 0.602 176.686 176.094 -0.016 0.000 1.058 288 V CA 0.032 62.322 62.300 -0.016 0.000 0.897 288 V CB 1.366 33.198 31.823 0.015 0.000 1.052 288 V HN 0.257 nan 8.190 nan 0.000 0.480 289 D N 2.228 122.618 120.400 -0.018 0.000 2.339 289 D HA 0.030 4.669 4.640 -0.000 0.000 0.217 289 D C 1.194 177.498 176.300 0.006 0.000 1.050 289 D CA 0.362 54.355 54.000 -0.011 0.000 0.856 289 D CB 0.656 41.444 40.800 -0.020 0.000 0.922 289 D HN 0.677 nan 8.370 nan 0.000 0.518 290 T N 0.093 114.656 114.554 0.015 0.000 2.922 290 T HA 0.431 4.781 4.350 -0.000 0.000 0.285 290 T C -2.344 172.382 174.700 0.043 0.000 1.005 290 T CA -1.567 60.547 62.100 0.024 0.000 1.061 290 T CB 2.075 70.955 68.868 0.021 0.000 1.007 290 T HN -0.171 nan 8.240 nan 0.000 0.502 291 P HA 0.312 nan 4.420 nan 0.000 0.276 291 P C -0.504 176.841 177.300 0.075 0.000 1.244 291 P CA -0.729 62.415 63.100 0.073 0.000 0.801 291 P CB 0.585 32.318 31.700 0.055 0.000 1.006 292 I N 3.022 123.657 120.570 0.107 0.000 2.379 292 I HA 0.024 4.194 4.170 -0.000 0.000 0.290 292 I C 1.292 177.400 176.117 -0.015 0.000 1.063 292 I CA 0.328 61.664 61.300 0.059 0.000 1.351 292 I CB 0.063 38.115 38.000 0.086 0.000 1.410 292 I HN 0.310 nan 8.210 nan 0.000 0.505 293 D N 5.216 125.624 120.400 0.013 0.000 2.213 293 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 293 D C 0.033 176.372 176.300 0.065 0.000 0.961 293 D CA 1.326 55.341 54.000 0.025 0.000 0.853 293 D CB 0.403 41.228 40.800 0.041 0.000 0.967 293 D HN 0.503 nan 8.370 nan 0.000 0.496 294 Y N 0.339 120.586 120.300 -0.088 0.000 2.479 294 Y HA 0.425 4.975 4.550 -0.000 0.000 0.338 294 Y C -2.087 173.755 175.900 -0.096 0.000 1.055 294 Y CA -1.460 56.580 58.100 -0.101 0.000 1.023 294 Y CB 1.366 39.769 38.460 -0.096 0.000 1.287 294 Y HN -0.245 nan 8.280 nan 0.000 0.447 295 L N 6.890 127.507 121.223 -1.009 0.000 2.349 295 L HA 0.518 4.858 4.340 -0.000 0.000 0.278 295 L C -1.391 174.838 176.870 -1.068 0.000 0.996 295 L CA -0.459 53.893 54.840 -0.813 0.000 0.825 295 L CB 1.437 43.229 42.059 -0.445 0.000 1.243 295 L HN 0.790 nan 8.230 nan 0.000 0.412 296 N N 3.302 121.551 118.700 -0.751 0.000 2.462 296 N HA 0.208 4.948 4.740 -0.000 0.000 0.242 296 N C -0.480 174.908 175.510 -0.204 0.000 1.010 296 N CA -0.052 52.790 53.050 -0.347 0.000 0.939 296 N CB 0.886 39.333 38.487 -0.067 0.000 1.127 296 N HN 0.809 nan 8.380 nan 0.000 0.509 297 S N 2.673 118.300 115.700 -0.122 0.000 2.624 297 S HA 0.008 4.478 4.470 -0.000 0.000 0.263 297 S C 1.287 175.807 174.600 -0.134 0.000 1.287 297 S CA -0.380 57.776 58.200 -0.075 0.000 0.990 297 S CB 1.527 64.785 63.200 0.096 0.000 0.950 297 S HN 0.644 nan 8.310 nan 0.000 0.561 298 Q N 1.846 121.536 119.800 -0.182 0.000 2.050 298 Q HA 0.079 4.419 4.340 -0.000 0.000 0.202 298 Q C 1.403 177.283 176.000 -0.199 0.000 0.980 298 Q CA 1.776 57.428 55.803 -0.252 0.000 0.840 298 Q CB -1.449 27.156 28.738 -0.222 0.000 0.898 298 Q HN 1.444 nan 8.270 nan 0.000 0.424 299 G N 0.814 109.540 108.800 -0.123 0.000 2.216 299 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 299 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 299 G C 0.453 175.208 174.900 -0.242 0.000 0.837 299 G CA 0.669 45.628 45.100 -0.235 0.000 1.227 299 G HN 0.479 nan 8.290 nan 0.000 0.407 300 T N -0.345 114.101 114.554 -0.181 0.000 2.833 300 T HA 0.048 4.398 4.350 -0.000 0.000 0.269 300 T C 1.731 176.435 174.700 0.006 0.000 1.054 300 T CA 1.811 63.834 62.100 -0.127 0.000 1.135 300 T CB -0.056 68.784 68.868 -0.047 0.000 0.869 300 T HN 1.751 nan 8.240 nan 0.000 0.466 301 S N 0.663 116.335 115.700 -0.046 0.000 3.362 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.278 301 S C 0.219 174.865 174.600 0.077 0.000 1.288 301 S CA 0.554 58.743 58.200 -0.018 0.000 0.850 301 S CB -2.023 61.190 63.200 0.022 0.000 1.062 301 S HN 0.860 nan 8.310 nan 0.000 0.671 302 T N -0.792 113.818 114.554 0.093 0.000 2.902 302 T HA 0.661 5.011 4.350 -0.000 0.000 0.283 302 T C -1.474 173.278 174.700 0.086 0.000 1.009 302 T CA -1.537 60.641 62.100 0.130 0.000 1.051 302 T CB 1.528 70.502 68.868 0.176 0.000 0.999 302 T HN -0.057 nan 8.240 nan 0.000 0.474 303 P HA -0.141 nan 4.420 nan 0.000 0.214 303 P C 1.658 178.996 177.300 0.063 0.000 1.169 303 P CA 0.744 63.885 63.100 0.069 0.000 0.908 303 P CB -0.059 31.681 31.700 0.066 0.000 0.791 304 V N -0.529 119.423 119.914 0.062 0.000 2.346 304 V HA -0.081 4.039 4.120 -0.000 0.000 0.244 304 V C 2.603 178.725 176.094 0.046 0.000 1.037 304 V CA 2.312 64.642 62.300 0.050 0.000 1.029 304 V CB -1.969 29.880 31.823 0.044 0.000 0.663 304 V HN 0.172 nan 8.190 nan 0.000 0.454 305 G N 0.163 108.990 108.800 0.045 0.000 2.476 305 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 305 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 305 G C 1.190 176.128 174.900 0.062 0.000 1.164 305 G CA 1.342 46.462 45.100 0.033 0.000 0.768 305 G HN 0.500 nan 8.290 nan 0.000 0.560 306 D N 0.012 120.455 120.400 0.071 0.000 2.123 306 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 306 D C 2.920 179.333 176.300 0.188 0.000 0.992 306 D CA 1.618 55.695 54.000 0.127 0.000 0.833 306 D CB -0.550 40.305 40.800 0.092 0.000 0.954 306 D HN 0.357 nan 8.370 nan 0.000 0.455 307 V N -0.933 119.054 119.914 0.121 0.000 2.358 307 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 307 V C 2.016 178.149 176.094 0.065 0.000 1.047 307 V CA 1.155 63.510 62.300 0.091 0.000 1.035 307 V CB -0.413 31.446 31.823 0.059 0.000 0.658 307 V HN -0.059 nan 8.190 nan 0.000 0.452 308 K N 0.744 121.174 120.400 0.049 0.000 2.032 308 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 308 K C 2.263 178.878 176.600 0.024 0.000 1.048 308 K CA 2.226 58.522 56.287 0.016 0.000 0.927 308 K CB -0.457 32.037 32.500 -0.009 0.000 0.712 308 K HN 0.803 nan 8.250 nan 0.000 0.441 309 E N 0.897 121.145 120.200 0.080 0.000 2.106 309 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 309 E C 2.148 178.823 176.600 0.125 0.000 0.984 309 E CA 0.601 57.083 56.400 0.136 0.000 0.806 309 E CB -0.009 29.847 29.700 0.260 0.000 0.750 309 E HN 0.168 nan 8.360 nan 0.000 0.458 310 L N 0.496 121.787 121.223 0.113 0.000 2.017 310 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 310 L C 2.723 179.611 176.870 0.031 0.000 1.073 310 L CA 1.222 56.089 54.840 0.045 0.000 0.745 310 L CB -0.542 41.525 42.059 0.013 0.000 0.894 310 L HN 0.244 nan 8.230 nan 0.000 0.432 311 A N -0.038 122.799 122.820 0.028 0.000 1.902 311 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 311 A C 2.531 180.124 177.584 0.015 0.000 1.181 311 A CA 1.816 53.861 52.037 0.014 0.000 0.623 311 A CB -0.771 18.231 19.000 0.003 0.000 0.818 311 A HN 0.415 nan 8.150 nan 0.000 0.443 312 A N -0.058 122.768 122.820 0.010 0.000 1.902 312 A HA -0.105 4.214 4.320 -0.000 0.000 0.217 312 A C 2.125 179.744 177.584 0.058 0.000 1.181 312 A CA 1.578 53.613 52.037 -0.003 0.000 0.623 312 A CB -0.630 18.337 19.000 -0.055 0.000 0.818 312 A HN 0.513 nan 8.150 nan 0.000 0.443 313 I N -0.988 119.652 120.570 0.117 0.000 2.226 313 I HA -0.271 3.898 4.170 -0.000 0.000 0.245 313 I C 2.767 179.022 176.117 0.230 0.000 1.100 313 I CA 1.356 62.792 61.300 0.226 0.000 1.374 313 I CB -0.358 37.740 38.000 0.163 0.000 1.057 313 I HN 0.302 nan 8.210 nan 0.000 0.413 314 R N 0.379 120.946 120.500 0.111 0.000 2.081 314 R HA -0.216 4.123 4.340 -0.000 0.000 0.235 314 R C 2.224 178.564 176.300 0.068 0.000 1.131 314 R CA 1.484 57.635 56.100 0.084 0.000 0.960 314 R CB -0.263 30.057 30.300 0.035 0.000 0.856 314 R HN 0.245 nan 8.270 nan 0.000 0.436 315 E N 0.275 120.495 120.200 0.034 0.000 2.106 315 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 315 E C 1.802 178.377 176.600 -0.042 0.000 0.984 315 E CA 0.871 57.268 56.400 -0.006 0.000 0.806 315 E CB 0.141 29.826 29.700 -0.024 0.000 0.750 315 E HN 0.038 nan 8.360 nan 0.000 0.458 316 V N -0.309 119.564 119.914 -0.068 0.000 2.323 316 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 316 V C 1.663 177.523 176.094 -0.390 0.000 1.041 316 V CA 1.736 63.873 62.300 -0.273 0.000 1.025 316 V CB -0.420 31.143 31.823 -0.434 0.000 0.656 316 V HN 0.256 nan 8.190 nan 0.000 0.451 317 F N -0.315 119.629 119.950 -0.009 0.000 2.582 317 F HA 0.466 4.993 4.527 -0.000 0.000 0.290 317 F C 1.984 177.777 175.800 -0.011 0.000 1.115 317 F CA 0.702 58.696 58.000 -0.010 0.000 1.445 317 F CB -0.681 38.311 39.000 -0.014 0.000 1.126 317 F HN 0.260 nan 8.300 nan 0.000 0.574 318 G N 1.809 110.701 108.800 0.154 0.000 2.686 318 G HA2 -0.497 3.463 3.960 -0.000 0.000 0.329 318 G HA3 -0.497 3.463 3.960 -0.000 0.000 0.329 318 G C 0.916 175.865 174.900 0.081 0.000 1.187 318 G CA 1.060 46.210 45.100 0.082 0.000 0.965 318 G HN 0.397 nan 8.290 nan 0.000 0.549 319 D N 0.957 121.395 120.400 0.064 0.000 2.347 319 D HA 0.085 4.725 4.640 -0.000 0.000 0.213 319 D C 1.572 177.907 176.300 0.059 0.000 0.985 319 D CA 1.047 55.075 54.000 0.047 0.000 0.879 319 D CB -0.145 40.675 40.800 0.032 0.000 0.919 319 D HN 0.555 nan 8.370 nan 0.000 0.526 320 K N 0.630 121.095 120.400 0.108 0.000 2.862 320 K HA 0.209 4.529 4.320 -0.000 0.000 0.229 320 K C -0.313 176.340 176.600 0.089 0.000 1.107 320 K CA -0.231 56.130 56.287 0.124 0.000 1.222 320 K CB 0.328 32.947 32.500 0.198 0.000 1.067 320 K HN -0.087 nan 8.250 nan 0.000 0.464 321 S N 3.849 119.558 115.700 0.014 0.000 2.509 321 S HA 0.057 4.527 4.470 -0.000 0.000 0.287 321 S C -1.642 172.837 174.600 -0.202 0.000 1.248 321 S CA -0.830 57.299 58.200 -0.118 0.000 1.089 321 S CB 0.059 63.216 63.200 -0.071 0.000 0.900 321 S HN 0.318 nan 8.310 nan 0.000 0.496 322 P HA 0.389 nan 4.420 nan 0.000 0.279 322 P C -0.789 176.389 177.300 -0.203 0.000 1.276 322 P CA -0.779 62.143 63.100 -0.297 0.000 0.801 322 P CB 0.656 32.080 31.700 -0.460 0.000 1.127 323 A N 0.990 123.756 122.820 -0.090 0.000 2.511 323 A HA 0.394 4.714 4.320 -0.000 0.000 0.242 323 A C 0.267 177.841 177.584 -0.016 0.000 1.069 323 A CA 0.117 52.155 52.037 0.002 0.000 0.763 323 A CB -0.871 18.192 19.000 0.106 0.000 1.001 323 A HN 0.453 nan 8.150 nan 0.000 0.498 324 I N 1.754 122.318 120.570 -0.010 0.000 2.582 324 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 324 I C 0.014 176.195 176.117 0.106 0.000 1.066 324 I CA -0.215 61.052 61.300 -0.054 0.000 1.053 324 I CB 2.556 40.477 38.000 -0.131 0.000 1.241 324 I HN 0.763 nan 8.210 nan 0.000 0.421 325 S N 3.825 119.632 115.700 0.178 0.000 2.537 325 S HA 0.851 5.321 4.470 -0.000 0.000 0.270 325 S C -1.067 173.654 174.600 0.201 0.000 1.142 325 S CA -0.794 57.552 58.200 0.244 0.000 0.870 325 S CB 2.017 65.386 63.200 0.281 0.000 1.112 325 S HN 0.791 nan 8.310 nan 0.000 0.466 326 A N 2.154 125.077 122.820 0.170 0.000 2.322 326 A HA 0.599 4.919 4.320 -0.000 0.000 0.327 326 A C 1.149 178.745 177.584 0.020 0.000 1.394 326 A CA -0.225 51.843 52.037 0.052 0.000 0.921 326 A CB -0.090 18.852 19.000 -0.096 0.000 1.153 326 A HN 1.342 nan 8.150 nan 0.000 0.523 327 T N 0.064 114.640 114.554 0.037 0.000 3.007 327 T HA -0.100 4.250 4.350 -0.000 0.000 0.270 327 T C 1.384 176.064 174.700 -0.034 0.000 1.107 327 T CA 1.242 63.336 62.100 -0.010 0.000 1.118 327 T CB -0.284 68.576 68.868 -0.013 0.000 0.889 327 T HN 0.628 nan 8.240 nan 0.000 0.506 328 K N 1.200 121.581 120.400 -0.032 0.000 2.280 328 K HA 0.091 4.411 4.320 -0.000 0.000 0.202 328 K C 2.632 179.215 176.600 -0.028 0.000 1.047 328 K CA 0.973 57.238 56.287 -0.037 0.000 0.942 328 K CB -0.404 32.037 32.500 -0.099 0.000 0.739 328 K HN 0.505 nan 8.250 nan 0.000 0.457 329 A N 0.940 123.732 122.820 -0.047 0.000 2.019 329 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 329 A C 2.005 179.573 177.584 -0.026 0.000 1.164 329 A CA 1.418 53.431 52.037 -0.040 0.000 0.644 329 A CB -0.260 18.715 19.000 -0.042 0.000 0.805 329 A HN 0.204 nan 8.150 nan 0.000 0.449 330 M N -1.355 118.223 119.600 -0.036 0.000 2.412 330 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 330 M C 2.358 178.641 176.300 -0.028 0.000 1.122 330 M CA 1.674 56.948 55.300 -0.043 0.000 1.179 330 M CB -0.093 32.455 32.600 -0.087 0.000 1.335 330 M HN 0.587 nan 8.290 nan 0.000 0.465 331 T N -2.176 112.360 114.554 -0.030 0.000 3.054 331 T HA 0.407 4.757 4.350 -0.000 0.000 0.259 331 T C 1.034 175.768 174.700 0.058 0.000 1.092 331 T CA 0.480 62.585 62.100 0.009 0.000 1.121 331 T CB -0.126 68.763 68.868 0.035 0.000 0.912 331 T HN 0.561 nan 8.240 nan 0.000 0.489 332 G N 0.980 109.825 108.800 0.074 0.000 2.757 332 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.638 332 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.638 332 G C -0.938 174.056 174.900 0.156 0.000 1.344 332 G CA -0.364 44.818 45.100 0.136 0.000 0.855 332 G HN 0.805 nan 8.290 nan 0.000 0.537 333 H N 0.714 119.829 119.070 0.074 0.000 2.641 333 H HA 0.600 5.156 4.556 -0.000 0.000 0.295 333 H C 1.606 176.904 175.328 -0.051 0.000 1.070 333 H CA -0.050 55.966 56.048 -0.053 0.000 1.257 333 H CB 0.726 30.319 29.762 -0.281 0.000 1.393 333 H HN 0.853 nan 8.280 nan 0.000 0.464 334 S N 4.733 120.581 115.700 0.246 0.000 2.754 334 S HA 0.098 4.568 4.470 -0.000 0.000 0.223 334 S C 1.405 176.022 174.600 0.028 0.000 0.951 334 S CA 0.014 58.265 58.200 0.085 0.000 0.954 334 S CB -0.561 62.669 63.200 0.050 0.000 0.780 334 S HN 0.731 nan 8.310 nan 0.000 0.509 335 L N 0.053 121.233 121.223 -0.071 0.000 4.638 335 L HA -0.369 3.971 4.340 -0.000 0.000 0.053 335 L C 2.335 179.227 176.870 0.037 0.000 3.458 335 L CA 1.583 56.316 54.840 -0.177 0.000 1.370 335 L CB -1.981 39.938 42.059 -0.233 0.000 3.074 335 L HN 0.443 nan 8.230 nan 0.000 0.881 336 G N -1.266 107.554 108.800 0.034 0.000 2.462 336 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.220 336 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.220 336 G C 1.265 176.193 174.900 0.047 0.000 1.121 336 G CA 1.320 46.457 45.100 0.061 0.000 0.758 336 G HN 0.846 nan 8.290 nan 0.000 0.559 337 A N 0.305 123.147 122.820 0.037 0.000 2.195 337 A HA 0.646 4.966 4.320 -0.000 0.000 0.210 337 A C 2.589 180.160 177.584 -0.022 0.000 1.165 337 A CA 1.297 53.340 52.037 0.009 0.000 0.806 337 A CB -0.244 18.763 19.000 0.011 0.000 0.847 337 A HN 0.549 nan 8.150 nan 0.000 0.482 338 A N 0.257 123.086 122.820 0.015 0.000 1.892 338 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 338 A C 2.381 179.909 177.584 -0.093 0.000 1.188 338 A CA 2.071 54.099 52.037 -0.015 0.000 0.631 338 A CB -1.428 17.599 19.000 0.046 0.000 0.822 338 A HN 0.718 nan 8.150 nan 0.000 0.447 339 G N -0.942 107.810 108.800 -0.079 0.000 2.491 339 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 339 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 339 G C 1.667 176.479 174.900 -0.148 0.000 1.180 339 G CA 1.439 46.468 45.100 -0.118 0.000 0.774 339 G HN 0.655 nan 8.290 nan 0.000 0.562 340 V N 0.156 119.989 119.914 -0.135 0.000 2.453 340 V HA -0.114 4.006 4.120 -0.000 0.000 0.247 340 V C 2.744 178.684 176.094 -0.256 0.000 1.048 340 V CA 2.505 64.707 62.300 -0.164 0.000 1.049 340 V CB -0.243 31.508 31.823 -0.120 0.000 0.672 340 V HN 0.530 nan 8.190 nan 0.000 0.457 341 Q N -0.488 119.128 119.800 -0.307 0.000 2.119 341 Q HA -0.235 4.104 4.340 -0.000 0.000 0.201 341 Q C 2.170 177.576 176.000 -0.990 0.000 0.972 341 Q CA 2.035 57.490 55.803 -0.580 0.000 0.847 341 Q CB -0.118 28.345 28.738 -0.460 0.000 0.903 341 Q HN 0.705 nan 8.270 nan 0.000 0.433 342 E N 0.429 120.289 120.200 -0.566 0.000 2.152 342 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 342 E C 1.885 178.354 176.600 -0.219 0.000 0.983 342 E CA 0.781 56.980 56.400 -0.335 0.000 0.818 342 E CB -0.019 29.612 29.700 -0.116 0.000 0.758 342 E HN 0.342 nan 8.360 nan 0.000 0.467 343 A N 0.846 123.531 122.820 -0.224 0.000 1.930 343 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 343 A C 2.113 179.596 177.584 -0.169 0.000 1.175 343 A CA 0.919 52.863 52.037 -0.155 0.000 0.627 343 A CB -0.438 18.471 19.000 -0.151 0.000 0.815 343 A HN 0.152 nan 8.150 nan 0.000 0.443 344 I N -1.455 118.954 120.570 -0.268 0.000 2.252 344 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 344 I C 2.283 178.340 176.117 -0.100 0.000 1.102 344 I CA 1.182 62.339 61.300 -0.240 0.000 1.385 344 I CB -0.405 37.425 38.000 -0.283 0.000 1.064 344 I HN 0.376 nan 8.210 nan 0.000 0.414 345 Y N 0.778 121.055 120.300 -0.039 0.000 2.181 345 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 345 Y C 2.937 178.816 175.900 -0.035 0.000 1.146 345 Y CA 0.848 58.938 58.100 -0.017 0.000 1.164 345 Y CB -1.389 37.071 38.460 -0.001 0.000 0.982 345 Y HN 0.104 nan 8.280 nan 0.000 0.515 346 S N 0.117 115.893 115.700 0.128 0.000 2.368 346 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 346 S C 2.167 176.780 174.600 0.022 0.000 1.030 346 S CA 1.133 59.397 58.200 0.107 0.000 0.999 346 S CB -0.625 62.643 63.200 0.113 0.000 0.844 346 S HN 0.359 nan 8.310 nan 0.000 0.459 347 L N 0.903 122.117 121.223 -0.015 0.000 2.093 347 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 347 L C 2.175 179.062 176.870 0.028 0.000 1.085 347 L CA 0.918 55.738 54.840 -0.034 0.000 0.755 347 L CB -0.504 41.451 42.059 -0.174 0.000 0.904 347 L HN 0.296 nan 8.230 nan 0.000 0.435 348 L N -1.131 120.133 121.223 0.069 0.000 2.093 348 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 348 L C 2.621 179.619 176.870 0.213 0.000 1.085 348 L CA 1.176 56.167 54.840 0.252 0.000 0.755 348 L CB -0.305 41.936 42.059 0.303 0.000 0.904 348 L HN 0.305 nan 8.230 nan 0.000 0.435 349 M N -0.836 118.681 119.600 -0.137 0.000 2.132 349 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 349 M C 2.292 178.449 176.300 -0.238 0.000 1.065 349 M CA 1.570 56.510 55.300 -0.599 0.000 1.122 349 M CB -0.284 31.820 32.600 -0.826 0.000 1.365 349 M HN 0.217 nan 8.290 nan 0.000 0.411 350 L N 0.519 121.686 121.223 -0.093 0.000 2.056 350 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 350 L C 2.217 179.093 176.870 0.010 0.000 1.078 350 L CA 1.954 56.780 54.840 -0.023 0.000 0.749 350 L CB -0.515 41.553 42.059 0.015 0.000 0.901 350 L HN 0.201 nan 8.230 nan 0.000 0.433 351 E N -1.189 119.031 120.200 0.034 0.000 2.072 351 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 351 E C 1.767 178.247 176.600 -0.200 0.000 0.985 351 E CA 1.481 57.848 56.400 -0.056 0.000 0.801 351 E CB -0.120 29.571 29.700 -0.014 0.000 0.750 351 E HN 0.622 nan 8.360 nan 0.000 0.452 352 H N -1.051 118.138 119.070 0.198 0.000 2.551 352 H HA 0.271 4.827 4.556 -0.000 0.000 0.271 352 H C 0.540 176.022 175.328 0.256 0.000 0.984 352 H CA 0.560 56.752 56.048 0.240 0.000 1.164 352 H CB 0.418 30.378 29.762 0.329 0.000 1.437 352 H HN 0.281 nan 8.280 nan 0.000 0.550 353 G N 2.018 110.945 108.800 0.211 0.000 2.367 353 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.295 353 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.295 353 G C -0.235 174.796 174.900 0.218 0.000 1.019 353 G CA 0.789 45.973 45.100 0.139 0.000 1.224 353 G HN 0.527 nan 8.290 nan 0.000 0.510 354 F N -1.680 118.257 119.950 -0.023 0.000 2.693 354 F HA 0.809 5.336 4.527 -0.000 0.000 0.309 354 F C -0.919 174.787 175.800 -0.157 0.000 1.129 354 F CA -2.274 55.689 58.000 -0.062 0.000 0.948 354 F CB 1.175 40.153 39.000 -0.038 0.000 1.315 354 F HN 0.061 nan 8.300 nan 0.000 0.447 355 I N 2.804 123.232 120.570 -0.235 0.000 2.389 355 I HA 0.615 4.785 4.170 -0.000 0.000 0.288 355 I C 0.046 176.064 176.117 -0.165 0.000 0.999 355 I CA -1.080 59.935 61.300 -0.474 0.000 1.129 355 I CB 1.696 39.514 38.000 -0.304 0.000 1.288 355 I HN 0.968 nan 8.210 nan 0.000 0.444 356 A N 9.274 131.932 122.820 -0.269 0.000 2.425 356 A HA 0.472 4.792 4.320 -0.000 0.000 0.249 356 A C -2.309 175.283 177.584 0.013 0.000 1.084 356 A CA -1.020 51.033 52.037 0.026 0.000 0.781 356 A CB -0.342 18.657 19.000 -0.001 0.000 1.019 356 A HN 0.432 nan 8.150 nan 0.000 0.490 357 P HA 0.110 nan 4.420 nan 0.000 0.274 357 P C -0.315 177.015 177.300 0.051 0.000 1.231 357 P CA -0.190 62.938 63.100 0.046 0.000 0.790 357 P CB 1.151 32.872 31.700 0.036 0.000 0.951 358 S N 2.484 118.228 115.700 0.073 0.000 2.415 358 S HA 0.366 4.836 4.470 -0.000 0.000 0.313 358 S C 0.618 175.253 174.600 0.059 0.000 1.067 358 S CA -0.821 57.431 58.200 0.087 0.000 1.099 358 S CB -1.313 61.982 63.200 0.159 0.000 0.991 358 S HN 0.345 nan 8.310 nan 0.000 0.491 359 I N 2.043 122.630 120.570 0.027 0.000 3.156 359 I HA 0.491 4.661 4.170 -0.000 0.000 0.306 359 I C 0.354 176.473 176.117 0.004 0.000 1.048 359 I CA -0.586 60.722 61.300 0.013 0.000 1.207 359 I CB 0.327 38.325 38.000 -0.003 0.000 1.456 359 I HN 0.517 nan 8.210 nan 0.000 0.616 360 N N 1.055 119.752 118.700 -0.004 0.000 2.741 360 N HA -0.175 4.565 4.740 -0.000 0.000 0.251 360 N C -0.583 174.927 175.510 -0.000 0.000 1.112 360 N CA 0.959 53.996 53.050 -0.021 0.000 0.750 360 N CB -1.529 36.920 38.487 -0.063 0.000 1.119 360 N HN 0.614 nan 8.380 nan 0.000 0.561 361 I N 1.141 121.729 120.570 0.030 0.000 2.268 361 I HA 0.063 4.233 4.170 -0.000 0.000 0.290 361 I C 1.427 177.577 176.117 0.055 0.000 1.125 361 I CA -0.116 61.219 61.300 0.058 0.000 1.236 361 I CB 0.370 38.420 38.000 0.084 0.000 1.469 361 I HN 0.023 nan 8.210 nan 0.000 0.512 362 E N 3.611 123.847 120.200 0.060 0.000 2.230 362 E HA -0.051 4.298 4.350 -0.000 0.000 0.192 362 E C 0.551 177.201 176.600 0.082 0.000 0.987 362 E CA 0.640 57.078 56.400 0.062 0.000 0.841 362 E CB 0.459 30.195 29.700 0.060 0.000 0.783 362 E HN 0.531 nan 8.360 nan 0.000 0.481 363 E N 1.136 121.401 120.200 0.108 0.000 2.432 363 E HA 0.129 4.479 4.350 -0.000 0.000 0.272 363 E C -1.347 175.305 176.600 0.086 0.000 0.937 363 E CA -0.551 55.911 56.400 0.104 0.000 0.812 363 E CB 0.877 30.670 29.700 0.156 0.000 1.377 363 E HN -0.071 nan 8.360 nan 0.000 0.399 364 L N 3.791 125.053 121.223 0.066 0.000 2.525 364 L HA 0.103 4.443 4.340 -0.000 0.000 0.278 364 L C -0.058 176.840 176.870 0.047 0.000 1.218 364 L CA 0.706 55.582 54.840 0.060 0.000 0.878 364 L CB 0.591 42.671 42.059 0.035 0.000 1.127 364 L HN 0.577 nan 8.230 nan 0.000 0.492 365 D N 2.701 123.137 120.400 0.060 0.000 2.455 365 D HA -0.056 4.584 4.640 -0.000 0.000 0.241 365 D C 1.102 177.414 176.300 0.019 0.000 1.138 365 D CA 0.615 54.640 54.000 0.042 0.000 0.877 365 D CB 0.791 41.637 40.800 0.077 0.000 1.187 365 D HN 0.734 nan 8.370 nan 0.000 0.451 366 E N 1.890 122.096 120.200 0.011 0.000 2.118 366 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 366 E C 1.070 177.670 176.600 0.000 0.000 0.992 366 E CA 1.094 57.496 56.400 0.005 0.000 0.804 366 E CB 0.135 29.837 29.700 0.004 0.000 0.741 366 E HN 0.603 nan 8.360 nan 0.000 0.458 367 Q N -1.146 118.657 119.800 0.005 0.000 2.431 367 Q HA 0.051 4.391 4.340 -0.000 0.000 0.210 367 Q C 0.801 176.789 176.000 -0.020 0.000 0.958 367 Q CA 0.338 56.141 55.803 -0.000 0.000 0.957 367 Q CB 0.470 29.216 28.738 0.013 0.000 1.007 367 Q HN 0.284 nan 8.270 nan 0.000 0.511 368 A N -0.334 122.464 122.820 -0.035 0.000 2.358 368 A HA 0.441 4.761 4.320 -0.000 0.000 0.223 368 A C 0.820 178.358 177.584 -0.076 0.000 1.218 368 A CA -0.020 51.963 52.037 -0.091 0.000 0.942 368 A CB 0.448 19.369 19.000 -0.131 0.000 1.005 368 A HN 0.281 nan 8.150 nan 0.000 0.514 369 A N -0.420 122.376 122.820 -0.041 0.000 2.540 369 A HA 0.437 4.757 4.320 -0.000 0.000 0.239 369 A C 1.618 179.182 177.584 -0.033 0.000 1.061 369 A CA 0.923 52.942 52.037 -0.030 0.000 0.758 369 A CB -0.544 18.447 19.000 -0.015 0.000 0.991 369 A HN 1.986 nan 8.150 nan 0.000 0.502 370 G N 1.051 109.831 108.800 -0.032 0.000 2.254 370 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.225 370 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.225 370 G C 0.190 175.065 174.900 -0.041 0.000 1.003 370 G CA 0.193 45.275 45.100 -0.029 0.000 0.622 370 G HN 0.802 nan 8.290 nan 0.000 0.507 371 L N 0.700 121.884 121.223 -0.064 0.000 2.421 371 L HA 0.472 4.812 4.340 -0.000 0.000 0.263 371 L C 0.694 177.513 176.870 -0.085 0.000 1.122 371 L CA -0.792 53.995 54.840 -0.088 0.000 0.804 371 L CB 0.904 42.882 42.059 -0.137 0.000 1.150 371 L HN 0.139 nan 8.230 nan 0.000 0.457 372 N N 2.524 121.171 118.700 -0.088 0.000 3.188 372 N HA 0.146 4.886 4.740 -0.000 0.000 0.279 372 N C -0.734 174.739 175.510 -0.061 0.000 1.213 372 N CA -0.288 52.724 53.050 -0.064 0.000 1.138 372 N CB -0.115 38.338 38.487 -0.057 0.000 1.417 372 N HN 0.279 nan 8.380 nan 0.000 0.526 373 I N 2.488 123.017 120.570 -0.068 0.000 2.363 373 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 373 I C 0.179 176.301 176.117 0.008 0.000 1.075 373 I CA -0.594 60.677 61.300 -0.049 0.000 1.333 373 I CB 0.481 38.428 38.000 -0.089 0.000 1.415 373 I HN -0.009 nan 8.210 nan 0.000 0.502 374 V N 7.256 127.196 119.914 0.043 0.000 2.455 374 V HA 0.126 4.246 4.120 -0.000 0.000 0.273 374 V C 1.358 177.487 176.094 0.057 0.000 1.045 374 V CA 0.008 62.337 62.300 0.050 0.000 0.976 374 V CB 0.861 32.721 31.823 0.062 0.000 0.993 374 V HN 0.912 nan 8.190 nan 0.000 0.475 375 T N 0.607 115.187 114.554 0.043 0.000 3.044 375 T HA 0.352 4.702 4.350 -0.000 0.000 0.260 375 T C 0.274 174.994 174.700 0.033 0.000 1.019 375 T CA -0.159 61.967 62.100 0.043 0.000 0.921 375 T CB 0.189 69.080 68.868 0.039 0.000 1.053 375 T HN 0.633 nan 8.240 nan 0.000 0.533 376 E N 1.261 121.479 120.200 0.030 0.000 2.314 376 E HA 0.343 4.693 4.350 -0.000 0.000 0.272 376 E C -1.079 175.540 176.600 0.033 0.000 0.884 376 E CA -0.806 55.609 56.400 0.025 0.000 0.753 376 E CB 2.011 31.722 29.700 0.018 0.000 1.213 376 E HN 0.059 nan 8.360 nan 0.000 0.432 377 T N 2.316 116.892 114.554 0.036 0.000 2.822 377 T HA 0.059 4.409 4.350 -0.000 0.000 0.288 377 T C -0.217 174.520 174.700 0.060 0.000 0.991 377 T CA 0.615 62.755 62.100 0.066 0.000 1.176 377 T CB 0.040 68.929 68.868 0.036 0.000 0.951 377 T HN 0.280 nan 8.240 nan 0.000 0.526 378 T N 4.190 118.794 114.554 0.084 0.000 2.840 378 T HA 0.240 4.590 4.350 -0.000 0.000 0.287 378 T C -0.455 174.299 174.700 0.090 0.000 0.991 378 T CA -0.931 61.205 62.100 0.060 0.000 0.964 378 T CB 1.186 70.073 68.868 0.031 0.000 0.954 378 T HN 0.456 nan 8.240 nan 0.000 0.438 379 D N 2.926 123.374 120.400 0.080 0.000 2.351 379 D HA 0.385 5.025 4.640 -0.000 0.000 0.251 379 D C 0.319 176.656 176.300 0.060 0.000 1.137 379 D CA 0.114 54.172 54.000 0.097 0.000 0.879 379 D CB 1.171 42.011 40.800 0.067 0.000 1.181 379 D HN 0.395 nan 8.370 nan 0.000 0.448 380 R N 1.277 121.812 120.500 0.058 0.000 2.604 380 R HA 0.064 4.404 4.340 -0.000 0.000 0.261 380 R C -1.337 174.978 176.300 0.024 0.000 1.080 380 R CA -0.624 55.492 56.100 0.028 0.000 0.917 380 R CB 1.350 31.655 30.300 0.009 0.000 1.252 380 R HN 0.136 nan 8.270 nan 0.000 0.456 381 E N 4.515 124.727 120.200 0.021 0.000 2.029 381 E HA 0.164 4.514 4.350 -0.000 0.000 0.276 381 E C -0.389 176.217 176.600 0.010 0.000 1.163 381 E CA -0.010 56.401 56.400 0.018 0.000 0.909 381 E CB 0.442 30.152 29.700 0.017 0.000 1.046 381 E HN 0.357 nan 8.360 nan 0.000 0.406 382 L N 1.598 122.823 121.223 0.003 0.000 2.357 382 L HA 0.335 4.675 4.340 -0.000 0.000 0.273 382 L C 1.344 178.221 176.870 0.011 0.000 1.080 382 L CA -0.294 54.549 54.840 0.005 0.000 0.803 382 L CB 1.194 43.245 42.059 -0.014 0.000 1.174 382 L HN 0.361 nan 8.230 nan 0.000 0.443 383 T N -1.423 113.142 114.554 0.018 0.000 3.115 383 T HA 0.092 4.442 4.350 -0.000 0.000 0.256 383 T C 0.255 174.969 174.700 0.023 0.000 0.970 383 T CA 0.262 62.372 62.100 0.017 0.000 1.010 383 T CB 0.720 69.597 68.868 0.014 0.000 1.151 383 T HN 0.595 nan 8.240 nan 0.000 0.479 384 T N 2.894 117.467 114.554 0.032 0.000 2.848 384 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 384 T C -0.805 173.926 174.700 0.050 0.000 0.995 384 T CA -0.692 61.431 62.100 0.038 0.000 0.970 384 T CB 2.085 70.978 68.868 0.040 0.000 0.976 384 T HN 0.235 nan 8.240 nan 0.000 0.441 385 V N 0.931 120.876 119.914 0.051 0.000 2.962 385 V HA 0.865 4.985 4.120 -0.000 0.000 0.313 385 V C -0.764 175.340 176.094 0.017 0.000 1.099 385 V CA -1.237 61.096 62.300 0.056 0.000 0.971 385 V CB 2.217 34.114 31.823 0.125 0.000 1.028 385 V HN 0.978 nan 8.190 nan 0.000 0.430 386 M N 2.885 122.460 119.600 -0.043 0.000 2.464 386 M HA 0.749 5.229 4.480 -0.000 0.000 0.308 386 M C -1.029 175.204 176.300 -0.112 0.000 1.127 386 M CA -0.294 54.983 55.300 -0.040 0.000 0.913 386 M CB 2.189 34.800 32.600 0.019 0.000 1.689 386 M HN 0.999 nan 8.290 nan 0.000 0.445 387 S N 3.338 118.985 115.700 -0.089 0.000 2.647 387 S HA 0.568 5.038 4.470 -0.000 0.000 0.300 387 S C -1.399 173.092 174.600 -0.182 0.000 1.129 387 S CA -0.773 57.345 58.200 -0.136 0.000 1.029 387 S CB 0.930 64.066 63.200 -0.107 0.000 1.007 387 S HN 0.840 nan 8.310 nan 0.000 0.484 388 N N 2.240 120.769 118.700 -0.286 0.000 2.473 388 N HA 0.502 5.242 4.740 -0.000 0.000 0.291 388 N C -1.237 173.855 175.510 -0.697 0.000 1.083 388 N CA -0.336 52.371 53.050 -0.571 0.000 0.951 388 N CB 1.768 39.789 38.487 -0.776 0.000 1.164 388 N HN 0.467 nan 8.380 nan 0.000 0.480 389 S N 1.842 117.058 115.700 -0.806 0.000 2.746 389 S HA 0.450 4.920 4.470 -0.000 0.000 0.273 389 S C -1.275 173.084 174.600 -0.403 0.000 1.172 389 S CA -0.582 57.312 58.200 -0.511 0.000 1.116 389 S CB -0.029 63.009 63.200 -0.270 0.000 1.057 389 S HN 0.271 nan 8.310 nan 0.000 0.483 390 F N 1.748 121.673 119.950 -0.041 0.000 2.403 390 F HA 0.702 5.228 4.527 -0.000 0.000 0.355 390 F C 0.845 176.634 175.800 -0.018 0.000 1.119 390 F CA -1.072 56.914 58.000 -0.024 0.000 1.007 390 F CB 1.238 40.213 39.000 -0.041 0.000 1.194 390 F HN 0.556 nan 8.300 nan 0.000 0.443 391 G N 1.545 110.472 108.800 0.213 0.000 2.537 391 G HA2 0.587 4.547 3.960 -0.000 0.000 0.323 391 G HA3 0.587 4.547 3.960 -0.000 0.000 0.323 391 G C -0.985 174.024 174.900 0.182 0.000 1.207 391 G CA -0.731 44.494 45.100 0.208 0.000 0.976 391 G HN 0.231 nan 8.290 nan 0.000 0.487 392 F N 0.075 120.123 119.950 0.163 0.000 2.628 392 F HA 0.343 4.870 4.527 -0.000 0.000 0.362 392 F C 1.654 177.528 175.800 0.123 0.000 1.148 392 F CA 1.651 59.741 58.000 0.150 0.000 1.352 392 F CB 0.693 39.800 39.000 0.177 0.000 1.081 392 F HN 0.886 nan 8.300 nan 0.000 0.605 393 G N 0.504 109.460 108.800 0.259 0.000 2.157 393 G HA2 0.074 4.034 3.960 -0.000 0.000 0.239 393 G HA3 0.074 4.034 3.960 -0.000 0.000 0.239 393 G C 0.827 175.796 174.900 0.116 0.000 0.982 393 G CA 0.075 45.277 45.100 0.169 0.000 0.650 393 G HN 1.889 nan 8.290 nan 0.000 0.527 394 G N -1.034 107.824 108.800 0.098 0.000 2.273 394 G HA2 0.100 4.060 3.960 -0.000 0.000 0.280 394 G HA3 0.100 4.060 3.960 -0.000 0.000 0.280 394 G C 0.354 175.304 174.900 0.083 0.000 1.047 394 G CA 1.457 46.592 45.100 0.059 0.000 0.869 394 G HN 2.033 nan 8.290 nan 0.000 0.502 395 T N 0.174 114.813 114.554 0.141 0.000 2.771 395 T HA 0.603 4.953 4.350 -0.000 0.000 0.281 395 T C -0.153 174.712 174.700 0.275 0.000 0.982 395 T CA -0.652 61.568 62.100 0.200 0.000 0.978 395 T CB 0.506 69.512 68.868 0.229 0.000 0.930 395 T HN 0.298 nan 8.240 nan 0.000 0.447 396 N N 2.798 121.675 118.700 0.294 0.000 2.269 396 N HA 0.724 5.464 4.740 -0.000 0.000 0.304 396 N C -1.295 174.371 175.510 0.260 0.000 1.072 396 N CA -0.632 52.629 53.050 0.352 0.000 0.802 396 N CB 2.167 40.817 38.487 0.272 0.000 1.348 396 N HN 0.776 nan 8.380 nan 0.000 0.484 397 A N 0.684 123.567 122.820 0.105 0.000 2.486 397 A HA 0.789 5.108 4.320 -0.000 0.000 0.300 397 A C -0.874 176.701 177.584 -0.015 0.000 1.048 397 A CA -0.480 51.518 52.037 -0.066 0.000 0.696 397 A CB 1.531 20.235 19.000 -0.494 0.000 1.278 397 A HN 0.448 nan 8.150 nan 0.000 0.405 398 T N 1.993 116.583 114.554 0.061 0.000 2.952 398 T HA 0.595 4.945 4.350 -0.000 0.000 0.305 398 T C -1.015 173.746 174.700 0.101 0.000 1.064 398 T CA -0.250 61.874 62.100 0.040 0.000 1.008 398 T CB 0.918 69.843 68.868 0.095 0.000 1.078 398 T HN 0.512 nan 8.240 nan 0.000 0.459 399 L N 2.656 123.904 121.223 0.042 0.000 2.365 399 L HA 0.799 5.139 4.340 -0.000 0.000 0.273 399 L C -0.824 176.067 176.870 0.035 0.000 1.000 399 L CA -1.149 53.725 54.840 0.057 0.000 0.819 399 L CB 2.082 44.138 42.059 -0.004 0.000 1.284 399 L HN 0.326 nan 8.230 nan 0.000 0.418 400 V N 3.867 123.812 119.914 0.053 0.000 2.487 400 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 400 V C -0.133 175.980 176.094 0.032 0.000 1.028 400 V CA -0.351 61.975 62.300 0.044 0.000 0.860 400 V CB 1.843 33.703 31.823 0.061 0.000 0.991 400 V HN 0.713 nan 8.190 nan 0.000 0.427 401 M N 4.998 124.612 119.600 0.023 0.000 2.465 401 M HA 0.673 5.153 4.480 -0.000 0.000 0.316 401 M C -0.591 175.722 176.300 0.022 0.000 1.121 401 M CA -0.518 54.791 55.300 0.016 0.000 0.934 401 M CB 2.748 35.352 32.600 0.005 0.000 1.692 401 M HN 0.564 nan 8.290 nan 0.000 0.444 402 R N 1.465 121.974 120.500 0.016 0.000 2.673 402 R HA 0.457 4.797 4.340 -0.000 0.000 0.281 402 R C -1.193 175.110 176.300 0.006 0.000 0.991 402 R CA -0.762 55.347 56.100 0.015 0.000 0.896 402 R CB 2.124 32.432 30.300 0.014 0.000 1.201 402 R HN 0.654 nan 8.270 nan 0.000 0.457 403 K N 3.033 123.436 120.400 0.004 0.000 2.355 403 K HA 0.174 4.493 4.320 -0.000 0.000 0.270 403 K C -0.351 176.239 176.600 -0.016 0.000 1.003 403 K CA 0.083 56.366 56.287 -0.008 0.000 0.957 403 K CB 0.601 33.097 32.500 -0.006 0.000 0.939 403 K HN 0.410 nan 8.250 nan 0.000 0.482 404 L N 2.988 124.192 121.223 -0.032 0.000 2.344 404 L HA 0.322 4.662 4.340 -0.000 0.000 0.272 404 L C 0.368 177.219 176.870 -0.032 0.000 1.035 404 L CA -1.032 53.789 54.840 -0.032 0.000 0.807 404 L CB 1.199 43.232 42.059 -0.043 0.000 1.237 404 L HN 0.415 nan 8.230 nan 0.000 0.442 405 K N 1.803 122.189 120.400 -0.025 0.000 2.202 405 K HA 0.623 4.943 4.320 -0.000 0.000 0.264 405 K C -0.297 176.288 176.600 -0.026 0.000 1.010 405 K CA 0.215 56.489 56.287 -0.021 0.000 0.940 405 K CB 1.110 33.601 32.500 -0.015 0.000 0.983 405 K HN 0.873 nan 8.250 nan 0.000 0.475 406 D N 0.000 120.386 120.400 -0.023 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683