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 2cn3_1_B DATA FIRST_RESID 33 DATA SEQUENCE VTSVPYKWDN VVIGGGGGFM PGIVFNETEK DLIYARAAIG GAYRWDPSTE DATA SEQUENCE TWIPLLDHFQ MDEYSYYGVE SIATDPVDPN RVYIVAGMYT NDWLPNMGAI DATA SEQUENCE LRSTDRGETW EKTILPFKMG GNMPGRSMGE RLAIDPNDNR ILYLGTRCGN DATA SEQUENCE GLWRSTDYGV TWSKVESFPN PGTYIYDPNF DYTKDIIGVV WVVFDKSSST DATA SEQUENCE PGNPTKTIYV GVADKNESIY RSTDGGVTWK AVPGQPKGLL PHHGVLASNG DATA SEQUENCE MLYITYGDTC GPYDGNGKGQ VWKFNTRTGE WIDITPIPYS SSDNRFCFAG DATA SEQUENCE LAVDRQNPDI IMVTSMNAWW PDEYIFRSTD GGATWKNIWE WGMYPERILH DATA SEQUENCE YEIDISAAPW LDWGTEKQLP EINPKLGWMI GDIEIDPFNS DRMMYVTGAT DATA SEQUENCE IYGCDNLTDW DRGGKVKIEV KATGIEECAV LDLVSPPEGA PLVSAVGDLV DATA SEQUENCE GFVHDDLKVG PKKMHVPSYS SGTGIDYAEL VPNFMALVAK ADLYDVKKIS DATA SEQUENCE FSYDGGRNWF QPPNEAPNSV GGGSVAVAAD AKSVIWTPEN ASPAVTTDNG DATA SEQUENCE NSWKVCTNLG MGAVVASDRV NGKKFYAFYN GKFYISTDGG LTFTDTKAPQ DATA SEQUENCE LPKSVNKIKA VPGKEGHVWL AAREGGLWRS TDGGYTFEKL SNVDTAHVVG DATA SEQUENCE FGKAAPGQDY MAIYITGKID NVLGFFRSDD AGKTWVRIND DEHGYGAVDT DATA SEQUENCE AITGDPRVYG RVYIATNGRG IVYGEPAS 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.179 176.094 0.141 0.000 1.182 33 V CA 0.000 62.376 62.300 0.126 0.000 1.235 33 V CB 0.000 31.909 31.823 0.144 0.000 1.184 34 T N 3.142 117.783 114.554 0.145 0.000 2.927 34 T HA 0.810 5.164 4.350 0.006 0.000 0.281 34 T C 0.013 174.801 174.700 0.147 0.000 0.998 34 T CA -0.539 61.636 62.100 0.125 0.000 1.019 34 T CB 1.725 70.654 68.868 0.101 0.000 1.061 34 T HN 0.822 nan 8.240 nan 0.000 0.518 35 S N 0.497 116.267 115.700 0.117 0.000 2.549 35 S HA 0.684 5.157 4.470 0.006 0.000 0.297 35 S C -0.071 174.601 174.600 0.120 0.000 1.115 35 S CA -0.843 57.423 58.200 0.110 0.000 1.059 35 S CB 1.340 64.589 63.200 0.081 0.000 1.046 35 S HN 1.011 nan 8.310 nan 0.000 0.506 36 V N 0.231 120.231 119.914 0.143 0.000 2.555 36 V HA 0.715 4.838 4.120 0.006 0.000 0.302 36 V C -2.785 173.455 176.094 0.244 0.000 1.038 36 V CA -2.808 59.603 62.300 0.185 0.000 0.887 36 V CB 1.238 33.198 31.823 0.229 0.000 0.991 36 V HN 0.666 nan 8.190 nan 0.000 0.434 37 P HA 0.317 nan 4.420 nan 0.000 0.271 37 P C -1.564 175.880 177.300 0.241 0.000 1.226 37 P CA 0.341 63.553 63.100 0.186 0.000 0.765 37 P CB 0.287 32.044 31.700 0.096 0.000 0.835 38 Y N 1.457 121.744 120.300 -0.022 0.000 2.509 38 Y HA 0.423 4.977 4.550 0.006 0.000 0.341 38 Y C 0.842 176.549 175.900 -0.321 0.000 1.038 38 Y CA -0.915 57.049 58.100 -0.226 0.000 1.089 38 Y CB 2.290 40.552 38.460 -0.331 0.000 1.241 38 Y HN 0.251 nan 8.280 nan 0.000 0.468 39 K N 2.436 122.575 120.400 -0.436 0.000 2.213 39 K HA 0.352 4.676 4.320 0.006 0.000 0.270 39 K C -1.834 174.369 176.600 -0.661 0.000 1.002 39 K CA -0.342 55.709 56.287 -0.393 0.000 0.868 39 K CB 0.701 33.018 32.500 -0.305 0.000 1.093 39 K HN 0.657 nan 8.250 nan 0.000 0.454 40 W N 2.783 123.952 121.300 -0.219 0.000 2.606 40 W HA 0.361 5.025 4.660 0.006 0.000 0.332 40 W C -0.203 176.232 176.519 -0.140 0.000 1.052 40 W CA -0.220 57.025 57.345 -0.167 0.000 1.223 40 W CB 1.690 31.134 29.460 -0.027 0.000 1.383 40 W HN 0.575 nan 8.180 nan 0.000 0.524 41 D N 0.589 120.976 120.400 -0.022 0.000 2.639 41 D HA 0.184 4.828 4.640 0.006 0.000 0.271 41 D C -1.092 175.257 176.300 0.081 0.000 1.254 41 D CA -0.650 53.362 54.000 0.019 0.000 0.810 41 D CB 1.571 42.317 40.800 -0.090 0.000 1.351 41 D HN 0.190 nan 8.370 nan 0.000 0.427 42 N N 0.163 118.958 118.700 0.159 0.000 2.520 42 N HA 0.198 4.942 4.740 0.006 0.000 0.273 42 N C -0.408 175.267 175.510 0.275 0.000 1.155 42 N CA -0.152 52.999 53.050 0.168 0.000 0.967 42 N CB 1.329 39.899 38.487 0.138 0.000 1.092 42 N HN 0.128 nan 8.380 nan 0.000 0.457 43 V N 2.735 122.784 119.914 0.224 0.000 2.521 43 V HA 0.006 4.130 4.120 0.006 0.000 0.286 43 V C 0.566 176.676 176.094 0.027 0.000 1.034 43 V CA -0.373 61.957 62.300 0.050 0.000 1.045 43 V CB 0.975 32.704 31.823 -0.157 0.000 0.974 43 V HN 0.279 nan 8.190 nan 0.000 0.480 44 V N 7.432 127.374 119.914 0.047 0.000 2.470 44 V HA 0.154 4.277 4.120 0.006 0.000 0.276 44 V C 0.994 177.100 176.094 0.020 0.000 1.040 44 V CA 0.355 62.687 62.300 0.053 0.000 1.008 44 V CB 0.773 32.632 31.823 0.060 0.000 0.990 44 V HN 0.749 nan 8.190 nan 0.000 0.477 45 I N 3.159 123.716 120.570 -0.023 0.000 2.927 45 I HA 0.361 4.535 4.170 0.006 0.000 0.268 45 I C 1.199 177.311 176.117 -0.009 0.000 1.153 45 I CA 0.998 62.183 61.300 -0.191 0.000 1.459 45 I CB -0.010 37.835 38.000 -0.259 0.000 1.149 45 I HN 0.896 nan 8.210 nan 0.000 0.443 46 G N 0.233 109.096 108.800 0.105 0.000 2.785 46 G HA2 0.140 4.104 3.960 0.006 0.000 0.686 46 G HA3 0.140 4.104 3.960 0.006 0.000 0.686 46 G C 0.552 175.615 174.900 0.271 0.000 1.155 46 G CA -0.528 44.669 45.100 0.162 0.000 0.760 46 G HN 0.852 nan 8.290 nan 0.000 0.624 47 G N -0.247 108.626 108.800 0.122 0.000 2.153 47 G HA2 0.337 4.300 3.960 0.006 0.000 0.252 47 G HA3 0.337 4.300 3.960 0.006 0.000 0.252 47 G C 1.677 176.647 174.900 0.117 0.000 0.994 47 G CA 0.993 46.125 45.100 0.053 0.000 0.698 47 G HN 3.230 nan 8.290 nan 0.000 0.521 48 G N -0.865 108.005 108.800 0.118 0.000 5.219 48 G HA2 0.284 4.248 3.960 0.006 0.000 0.267 48 G HA3 0.284 4.248 3.960 0.006 0.000 0.267 48 G C 1.514 176.503 174.900 0.148 0.000 1.495 48 G CA 1.917 47.052 45.100 0.058 0.000 0.988 48 G HN 2.552 nan 8.290 nan 0.000 0.707 49 G N -0.446 108.514 108.800 0.266 0.000 2.176 49 G HA2 0.392 4.356 3.960 0.006 0.000 0.232 49 G HA3 0.392 4.356 3.960 0.006 0.000 0.232 49 G C 1.447 176.462 174.900 0.191 0.000 0.986 49 G CA 1.014 46.231 45.100 0.195 0.000 0.643 49 G HN 2.473 nan 8.290 nan 0.000 0.522 50 G N -1.244 107.676 108.800 0.201 0.000 2.870 50 G HA2 0.632 4.596 3.960 0.006 0.000 0.299 50 G HA3 0.632 4.596 3.960 0.006 0.000 0.299 50 G C -1.273 173.788 174.900 0.268 0.000 1.324 50 G CA -0.563 44.679 45.100 0.238 0.000 0.808 50 G HN 0.835 nan 8.290 nan 0.000 0.535 51 F N 2.052 122.064 119.950 0.103 0.000 2.404 51 F HA 0.614 5.145 4.527 0.006 0.000 0.358 51 F C 0.030 175.845 175.800 0.026 0.000 1.120 51 F CA -1.863 56.171 58.000 0.056 0.000 1.144 51 F CB 1.132 40.186 39.000 0.090 0.000 1.133 51 F HN 0.004 nan 8.300 nan 0.000 0.495 52 M N 9.518 128.974 119.600 -0.240 0.000 2.111 52 M HA 0.259 4.743 4.480 0.006 0.000 0.351 52 M C -1.929 173.967 176.300 -0.674 0.000 1.214 52 M CA -2.202 52.867 55.300 -0.385 0.000 1.120 52 M CB 0.849 33.286 32.600 -0.272 0.000 1.443 52 M HN 0.297 nan 8.290 nan 0.000 0.429 53 P HA 0.039 nan 4.420 nan 0.000 0.230 53 P C 0.370 177.528 177.300 -0.238 0.000 1.158 53 P CA 0.606 63.220 63.100 -0.811 0.000 0.769 53 P CB 0.456 31.801 31.700 -0.592 0.000 0.807 54 G N -0.890 107.813 108.800 -0.162 0.000 2.759 54 G HA2 0.608 4.571 3.960 0.006 0.000 0.297 54 G HA3 0.608 4.571 3.960 0.006 0.000 0.297 54 G C -1.698 173.189 174.900 -0.020 0.000 1.434 54 G CA -0.389 44.700 45.100 -0.019 0.000 0.980 54 G HN -0.083 nan 8.290 nan 0.000 0.531 55 I N 0.711 121.301 120.570 0.032 0.000 2.569 55 I HA 0.575 4.749 4.170 0.006 0.000 0.296 55 I C -0.594 175.599 176.117 0.126 0.000 1.028 55 I CA -1.231 60.097 61.300 0.047 0.000 1.082 55 I CB 2.546 40.572 38.000 0.042 0.000 1.264 55 I HN 0.173 nan 8.210 nan 0.000 0.429 56 V N 5.851 125.856 119.914 0.153 0.000 2.482 56 V HA 0.382 4.506 4.120 0.006 0.000 0.295 56 V C -0.621 175.597 176.094 0.207 0.000 1.026 56 V CA -0.586 61.849 62.300 0.226 0.000 0.856 56 V CB 1.514 33.487 31.823 0.250 0.000 1.001 56 V HN 0.386 nan 8.190 nan 0.000 0.424 57 F N 3.114 123.182 119.950 0.197 0.000 2.384 57 F HA 0.347 4.877 4.527 0.006 0.000 0.338 57 F C 1.066 177.007 175.800 0.234 0.000 1.103 57 F CA -0.002 58.115 58.000 0.194 0.000 1.157 57 F CB 0.871 39.951 39.000 0.132 0.000 1.167 57 F HN 0.484 nan 8.300 nan 0.000 0.529 58 N N 2.577 121.540 118.700 0.437 0.000 2.513 58 N HA -0.028 4.716 4.740 0.006 0.000 0.268 58 N C 0.561 176.313 175.510 0.404 0.000 1.180 58 N CA 0.120 53.399 53.050 0.382 0.000 0.948 58 N CB 0.815 39.501 38.487 0.331 0.000 1.083 58 N HN 0.717 nan 8.380 nan 0.000 0.455 59 E N 0.982 121.370 120.200 0.314 0.000 2.371 59 E HA -0.070 4.284 4.350 0.006 0.000 0.194 59 E C 0.986 177.791 176.600 0.342 0.000 1.012 59 E CA 0.966 57.515 56.400 0.249 0.000 0.860 59 E CB 0.332 30.133 29.700 0.169 0.000 0.811 59 E HN 0.782 nan 8.360 nan 0.000 0.502 60 T N -2.733 112.058 114.554 0.394 0.000 2.964 60 T HA 0.087 4.441 4.350 0.006 0.000 0.249 60 T C 0.647 175.504 174.700 0.263 0.000 1.000 60 T CA -0.354 61.987 62.100 0.402 0.000 0.992 60 T CB 0.430 69.429 68.868 0.220 0.000 1.087 60 T HN -0.083 nan 8.240 nan 0.000 0.489 61 E N 1.817 122.109 120.200 0.154 0.000 2.113 61 E HA 0.321 4.675 4.350 0.006 0.000 0.273 61 E C -0.570 175.886 176.600 -0.240 0.000 0.924 61 E CA -0.687 55.655 56.400 -0.097 0.000 0.764 61 E CB 1.039 30.739 29.700 0.001 0.000 1.104 61 E HN 0.266 nan 8.360 nan 0.000 0.406 62 K N 3.874 123.837 120.400 -0.729 0.000 2.489 62 K HA -0.099 4.225 4.320 0.006 0.000 0.278 62 K C -0.460 176.083 176.600 -0.094 0.000 1.000 62 K CA 0.597 56.550 56.287 -0.557 0.000 1.012 62 K CB 0.323 32.466 32.500 -0.595 0.000 0.903 62 K HN 0.633 nan 8.250 nan 0.000 0.485 63 D N 0.770 121.230 120.400 0.101 0.000 2.911 63 D HA -0.208 4.436 4.640 0.006 0.000 0.199 63 D C -0.558 175.821 176.300 0.132 0.000 1.041 63 D CA 0.819 54.913 54.000 0.155 0.000 1.013 63 D CB -0.838 40.041 40.800 0.131 0.000 1.093 63 D HN 0.335 nan 8.370 nan 0.000 0.431 64 L N 1.628 122.908 121.223 0.096 0.000 2.268 64 L HA 0.470 4.813 4.340 0.006 0.000 0.289 64 L C -0.210 176.634 176.870 -0.043 0.000 1.064 64 L CA -0.082 54.770 54.840 0.021 0.000 0.824 64 L CB 0.245 42.348 42.059 0.072 0.000 1.202 64 L HN 0.036 nan 8.230 nan 0.000 0.433 65 I N 4.456 124.883 120.570 -0.238 0.000 2.686 65 I HA 0.415 4.588 4.170 0.006 0.000 0.295 65 I C -1.263 174.754 176.117 -0.166 0.000 1.114 65 I CA -0.793 60.319 61.300 -0.313 0.000 1.038 65 I CB 1.940 39.525 38.000 -0.692 0.000 1.238 65 I HN 0.351 nan 8.210 nan 0.000 0.420 66 Y N 2.677 123.112 120.300 0.224 0.000 2.536 66 Y HA 0.822 5.376 4.550 0.006 0.000 0.347 66 Y C 0.032 176.082 175.900 0.249 0.000 1.000 66 Y CA -0.919 57.398 58.100 0.362 0.000 1.051 66 Y CB 2.326 40.940 38.460 0.256 0.000 1.259 66 Y HN 0.652 nan 8.280 nan 0.000 0.468 67 A N 2.549 125.554 122.820 0.310 0.000 2.414 67 A HA 0.852 5.176 4.320 0.006 0.000 0.306 67 A C -1.126 176.500 177.584 0.070 0.000 1.054 67 A CA -1.059 50.946 52.037 -0.053 0.000 0.724 67 A CB 1.265 19.853 19.000 -0.687 0.000 1.267 67 A HN 0.826 nan 8.150 nan 0.000 0.418 68 R N 1.355 121.858 120.500 0.005 0.000 2.514 68 R HA 0.826 5.169 4.340 0.006 0.000 0.301 68 R C -0.359 175.911 176.300 -0.049 0.000 0.962 68 R CA -0.320 55.790 56.100 0.018 0.000 0.882 68 R CB 1.824 32.128 30.300 0.007 0.000 1.143 68 R HN 0.803 nan 8.270 nan 0.000 0.452 69 A N 1.854 124.678 122.820 0.007 0.000 2.320 69 A HA 0.638 4.962 4.320 0.006 0.000 0.334 69 A C 0.851 178.414 177.584 -0.036 0.000 1.147 69 A CA -0.365 51.666 52.037 -0.010 0.000 0.820 69 A CB 1.439 20.509 19.000 0.116 0.000 1.218 69 A HN 0.972 nan 8.150 nan 0.000 0.482 70 A N 1.005 123.798 122.820 -0.046 0.000 1.898 70 A HA 0.052 4.376 4.320 0.006 0.000 0.216 70 A C 1.408 178.991 177.584 -0.002 0.000 1.181 70 A CA 1.964 53.994 52.037 -0.011 0.000 0.620 70 A CB -0.571 18.483 19.000 0.090 0.000 0.819 70 A HN 1.468 nan 8.150 nan 0.000 0.442 71 I N -6.012 114.591 120.570 0.056 0.000 4.310 71 I HA 0.485 4.658 4.170 0.006 0.000 0.328 71 I C 0.959 177.152 176.117 0.127 0.000 1.406 71 I CA 0.432 61.765 61.300 0.054 0.000 1.174 71 I CB 0.679 38.762 38.000 0.139 0.000 1.279 71 I HN 0.049 nan 8.210 nan 0.000 0.471 72 G N 0.656 109.553 108.800 0.163 0.000 4.100 72 G HA2 0.580 4.544 3.960 0.006 0.000 0.294 72 G HA3 0.580 4.544 3.960 0.006 0.000 0.294 72 G C 0.661 175.750 174.900 0.315 0.000 1.040 72 G CA 0.118 45.360 45.100 0.238 0.000 0.829 72 G HN 0.745 nan 8.290 nan 0.000 0.505 73 G N -0.062 108.911 108.800 0.289 0.000 2.525 73 G HA2 0.328 4.291 3.960 0.006 0.000 0.248 73 G HA3 0.328 4.291 3.960 0.006 0.000 0.248 73 G C 0.167 175.100 174.900 0.055 0.000 1.238 73 G CA 0.019 45.198 45.100 0.133 0.000 0.926 73 G HN 1.665 nan 8.290 nan 0.000 0.574 74 A N -1.610 121.194 122.820 -0.026 0.000 2.566 74 A HA 0.909 5.233 4.320 0.006 0.000 0.292 74 A C -1.254 176.342 177.584 0.021 0.000 1.112 74 A CA -0.387 51.706 52.037 0.093 0.000 0.707 74 A CB 1.437 20.509 19.000 0.121 0.000 1.302 74 A HN 1.493 nan 8.150 nan 0.000 0.409 75 Y N -0.428 120.032 120.300 0.268 0.000 2.545 75 Y HA 0.698 5.252 4.550 0.006 0.000 0.348 75 Y C 0.257 176.482 175.900 0.541 0.000 1.002 75 Y CA -0.628 57.699 58.100 0.379 0.000 1.039 75 Y CB 2.158 40.826 38.460 0.346 0.000 1.271 75 Y HN 0.791 nan 8.280 nan 0.000 0.467 76 R N 2.191 123.056 120.500 0.608 0.000 2.514 76 R HA 0.211 4.555 4.340 0.006 0.000 0.301 76 R C -1.141 175.312 176.300 0.254 0.000 0.962 76 R CA -0.656 55.612 56.100 0.279 0.000 0.882 76 R CB 1.166 31.484 30.300 0.030 0.000 1.143 76 R HN 0.901 nan 8.270 nan 0.000 0.452 77 W N 4.969 126.080 121.300 -0.315 0.000 2.216 77 W HA 0.067 4.731 4.660 0.007 0.000 0.326 77 W C -0.937 175.333 176.519 -0.415 0.000 1.319 77 W CA 0.204 57.098 57.345 -0.753 0.000 1.213 77 W CB 0.979 29.816 29.460 -1.038 0.000 1.171 77 W HN 0.555 nan 8.180 nan 0.000 0.557 78 D N 8.014 127.856 120.400 -0.930 0.000 2.454 78 D HA 0.226 4.869 4.640 0.006 0.000 0.225 78 D C -1.417 174.238 176.300 -1.075 0.000 1.081 78 D CA -2.522 51.039 54.000 -0.732 0.000 0.864 78 D CB 1.629 42.154 40.800 -0.458 0.000 1.040 78 D HN 0.075 nan 8.370 nan 0.000 0.517 79 P HA -0.127 nan 4.420 nan 0.000 0.223 79 P C 1.235 178.363 177.300 -0.286 0.000 1.151 79 P CA 0.700 63.553 63.100 -0.412 0.000 0.787 79 P CB 0.141 31.836 31.700 -0.007 0.000 0.788 80 S N -0.295 115.247 115.700 -0.264 0.000 2.402 80 S HA -0.097 4.377 4.470 0.006 0.000 0.229 80 S C 1.781 176.263 174.600 -0.197 0.000 1.021 80 S CA 1.869 59.963 58.200 -0.177 0.000 0.974 80 S CB -1.834 61.284 63.200 -0.137 0.000 0.800 80 S HN 0.321 nan 8.310 nan 0.000 0.484 81 T N -1.721 112.656 114.554 -0.296 0.000 3.023 81 T HA 0.327 4.681 4.350 0.006 0.000 0.253 81 T C 0.145 174.637 174.700 -0.348 0.000 1.038 81 T CA 0.048 61.990 62.100 -0.263 0.000 0.962 81 T CB -0.405 68.328 68.868 -0.224 0.000 1.018 81 T HN 0.405 nan 8.240 nan 0.000 0.521 82 E N 2.079 121.921 120.200 -0.596 0.000 2.297 82 E HA -0.172 4.182 4.350 0.006 0.000 0.228 82 E C -0.169 175.940 176.600 -0.818 0.000 1.213 82 E CA 0.971 56.867 56.400 -0.839 0.000 0.712 82 E CB -2.150 27.459 29.700 -0.152 0.000 1.202 82 E HN 0.887 nan 8.360 nan 0.000 0.376 83 T N -3.645 110.340 114.554 -0.948 0.000 2.901 83 T HA 0.631 4.985 4.350 0.006 0.000 0.293 83 T C -0.502 173.880 174.700 -0.529 0.000 1.084 83 T CA -0.929 60.883 62.100 -0.480 0.000 1.008 83 T CB 1.323 70.083 68.868 -0.181 0.000 1.170 83 T HN 0.223 nan 8.240 nan 0.000 0.509 84 W N 0.544 121.824 121.300 -0.033 0.000 2.496 84 W HA 0.709 5.372 4.660 0.006 0.000 0.327 84 W C -0.337 176.329 176.519 0.246 0.000 1.086 84 W CA -1.064 56.356 57.345 0.124 0.000 1.222 84 W CB 1.069 30.570 29.460 0.068 0.000 1.304 84 W HN 0.544 nan 8.180 nan 0.000 0.547 85 I N 5.811 126.698 120.570 0.529 0.000 2.362 85 I HA 0.247 4.420 4.170 0.006 0.000 0.289 85 I C -1.882 174.455 176.117 0.365 0.000 0.994 85 I CA -2.385 59.141 61.300 0.376 0.000 1.158 85 I CB 1.443 39.550 38.000 0.178 0.000 1.315 85 I HN -0.019 nan 8.210 nan 0.000 0.451 86 P HA 0.140 nan 4.420 nan 0.000 0.271 86 P C 0.059 177.343 177.300 -0.027 0.000 1.216 86 P CA -0.070 62.868 63.100 -0.268 0.000 0.776 86 P CB 1.486 33.085 31.700 -0.168 0.000 0.881 87 L N 2.002 123.213 121.223 -0.019 0.000 2.672 87 L HA 0.234 4.578 4.340 0.006 0.000 0.236 87 L C 1.517 178.505 176.870 0.197 0.000 1.092 87 L CA 0.398 55.364 54.840 0.209 0.000 0.887 87 L CB 0.008 42.316 42.059 0.416 0.000 1.168 87 L HN 0.295 nan 8.230 nan 0.000 0.502 88 L N -0.797 120.402 121.223 -0.039 0.000 3.168 88 L HA 0.201 4.545 4.340 0.006 0.000 0.277 88 L C 0.575 177.207 176.870 -0.396 0.000 1.245 88 L CA -0.196 54.464 54.840 -0.301 0.000 1.035 88 L CB 0.358 42.175 42.059 -0.404 0.000 1.399 88 L HN -0.001 nan 8.230 nan 0.000 0.580 89 D N 0.165 120.483 120.400 -0.135 0.000 2.350 89 D HA -0.144 4.500 4.640 0.006 0.000 0.216 89 D C 1.836 177.943 176.300 -0.320 0.000 0.968 89 D CA 1.023 54.939 54.000 -0.140 0.000 0.894 89 D CB 0.075 40.729 40.800 -0.243 0.000 0.909 89 D HN 0.609 nan 8.370 nan 0.000 0.520 90 H N -1.232 117.605 119.070 -0.388 0.000 2.491 90 H HA -0.028 4.531 4.556 0.006 0.000 0.290 90 H C 0.252 175.411 175.328 -0.281 0.000 1.050 90 H CA 0.122 55.933 56.048 -0.395 0.000 1.309 90 H CB -0.643 28.866 29.762 -0.422 0.000 1.392 90 H HN -0.089 nan 8.280 nan 0.000 0.554 91 F N 3.394 122.966 119.950 -0.630 0.000 2.557 91 F HA 0.067 4.597 4.527 0.006 0.000 0.384 91 F C 0.877 176.678 175.800 0.002 0.000 1.057 91 F CA -0.184 57.617 58.000 -0.332 0.000 1.169 91 F CB 0.311 39.001 39.000 -0.517 0.000 1.070 91 F HN 0.296 nan 8.300 nan 0.000 0.554 92 Q N 3.885 123.801 119.800 0.193 0.000 2.272 92 Q HA 0.189 4.533 4.340 0.006 0.000 0.192 92 Q C 1.669 177.772 176.000 0.172 0.000 1.059 92 Q CA -0.434 55.441 55.803 0.120 0.000 1.084 92 Q CB 0.458 29.222 28.738 0.043 0.000 1.139 92 Q HN 0.791 nan 8.270 nan 0.000 0.593 93 M N -0.331 119.343 119.600 0.124 0.000 2.279 93 M HA -0.129 4.355 4.480 0.006 0.000 0.264 93 M C 0.831 177.188 176.300 0.095 0.000 1.062 93 M CA 2.059 57.422 55.300 0.106 0.000 1.099 93 M CB -0.489 32.153 32.600 0.070 0.000 1.394 93 M HN 0.430 nan 8.290 nan 0.000 0.426 94 D N 0.683 121.133 120.400 0.082 0.000 2.363 94 D HA -0.123 4.521 4.640 0.006 0.000 0.220 94 D C 0.515 176.802 176.300 -0.021 0.000 0.994 94 D CA 0.811 54.837 54.000 0.044 0.000 0.890 94 D CB -0.394 40.435 40.800 0.048 0.000 0.906 94 D HN 0.657 nan 8.370 nan 0.000 0.530 95 E N -1.005 119.190 120.200 -0.008 0.000 2.789 95 E HA 0.014 4.368 4.350 0.006 0.000 0.208 95 E C 0.255 176.737 176.600 -0.196 0.000 0.988 95 E CA -0.506 55.757 56.400 -0.227 0.000 1.092 95 E CB 0.101 29.729 29.700 -0.120 0.000 1.066 95 E HN 0.093 nan 8.360 nan 0.000 0.465 96 Y N 1.485 121.734 120.300 -0.085 0.000 2.139 96 Y HA -0.341 4.213 4.550 0.006 0.000 0.282 96 Y C 2.388 178.271 175.900 -0.028 0.000 1.179 96 Y CA 2.012 60.148 58.100 0.060 0.000 1.161 96 Y CB -0.413 38.053 38.460 0.011 0.000 0.970 96 Y HN 0.101 nan 8.280 nan 0.000 0.511 97 S N -0.749 114.695 115.700 -0.426 0.000 2.407 97 S HA -0.249 4.225 4.470 0.006 0.000 0.235 97 S C 1.628 175.924 174.600 -0.507 0.000 1.036 97 S CA 1.629 59.501 58.200 -0.547 0.000 1.013 97 S CB -0.689 62.202 63.200 -0.514 0.000 0.820 97 S HN 0.609 nan 8.310 nan 0.000 0.476 98 Y N -0.004 119.924 120.300 -0.619 0.000 2.578 98 Y HA 0.179 4.732 4.550 0.006 0.000 0.297 98 Y C 1.345 176.796 175.900 -0.749 0.000 1.176 98 Y CA -0.612 56.963 58.100 -0.875 0.000 1.315 98 Y CB -1.112 36.346 38.460 -1.670 0.000 1.031 98 Y HN 0.414 nan 8.280 nan 0.000 0.524 99 Y N -0.435 119.665 120.300 -0.333 0.000 2.516 99 Y HA 0.144 4.698 4.550 0.006 0.000 0.291 99 Y C 1.922 177.689 175.900 -0.221 0.000 1.131 99 Y CA 0.149 58.130 58.100 -0.198 0.000 1.281 99 Y CB -0.130 38.258 38.460 -0.120 0.000 1.013 99 Y HN -0.018 nan 8.280 nan 0.000 0.554 100 G N 0.948 109.631 108.800 -0.194 0.000 2.444 100 G HA2 0.367 4.330 3.960 0.006 0.000 0.303 100 G HA3 0.367 4.330 3.960 0.006 0.000 0.303 100 G C -0.830 173.976 174.900 -0.157 0.000 1.032 100 G CA -0.229 44.749 45.100 -0.203 0.000 1.137 100 G HN -0.029 nan 8.290 nan 0.000 0.430 101 V N 3.282 123.130 119.914 -0.111 0.000 2.304 101 V HA 0.126 4.250 4.120 0.006 0.000 0.269 101 V C 1.194 177.239 176.094 -0.081 0.000 1.036 101 V CA -0.312 61.928 62.300 -0.101 0.000 0.840 101 V CB 1.003 32.784 31.823 -0.070 0.000 1.036 101 V HN 0.971 nan 8.190 nan 0.000 0.466 102 E N 3.794 123.942 120.200 -0.087 0.000 2.107 102 E HA -0.046 4.308 4.350 0.006 0.000 0.191 102 E C 0.894 177.477 176.600 -0.028 0.000 0.982 102 E CA 1.093 57.455 56.400 -0.063 0.000 0.809 102 E CB 0.303 29.959 29.700 -0.074 0.000 0.756 102 E HN 0.648 nan 8.360 nan 0.000 0.459 103 S N -1.400 114.288 115.700 -0.020 0.000 2.552 103 S HA 0.495 4.968 4.470 0.006 0.000 0.272 103 S C -1.829 172.798 174.600 0.044 0.000 1.150 103 S CA -0.872 57.346 58.200 0.030 0.000 0.849 103 S CB 0.935 64.166 63.200 0.051 0.000 1.113 103 S HN 0.233 nan 8.310 nan 0.000 0.458 104 I N 2.675 123.296 120.570 0.084 0.000 2.582 104 I HA 0.836 5.010 4.170 0.006 0.000 0.292 104 I C -0.916 175.281 176.117 0.132 0.000 1.066 104 I CA -0.470 60.885 61.300 0.092 0.000 1.053 104 I CB 1.712 39.756 38.000 0.074 0.000 1.241 104 I HN 0.834 nan 8.210 nan 0.000 0.421 105 A N 4.467 127.383 122.820 0.160 0.000 2.374 105 A HA 0.694 5.017 4.320 0.006 0.000 0.305 105 A C -0.746 176.958 177.584 0.200 0.000 1.053 105 A CA -0.502 51.665 52.037 0.217 0.000 0.726 105 A CB 1.694 20.857 19.000 0.272 0.000 1.229 105 A HN 0.599 nan 8.150 nan 0.000 0.431 106 T N 1.155 115.823 114.554 0.190 0.000 2.792 106 T HA 0.384 4.737 4.350 0.006 0.000 0.280 106 T C -0.920 173.926 174.700 0.243 0.000 0.990 106 T CA -0.469 61.741 62.100 0.183 0.000 0.960 106 T CB 0.666 69.699 68.868 0.275 0.000 0.939 106 T HN 0.637 nan 8.240 nan 0.000 0.439 107 D N 5.839 126.381 120.400 0.237 0.000 2.358 107 D HA 0.191 4.834 4.640 0.006 0.000 0.258 107 D C -1.286 175.127 176.300 0.188 0.000 1.223 107 D CA -2.041 52.097 54.000 0.231 0.000 0.886 107 D CB 1.866 42.813 40.800 0.245 0.000 1.120 107 D HN 0.336 nan 8.370 nan 0.000 0.482 108 P HA -0.062 nan 4.420 nan 0.000 0.231 108 P C 1.334 178.710 177.300 0.127 0.000 1.168 108 P CA 0.187 63.382 63.100 0.158 0.000 0.779 108 P CB 0.682 32.471 31.700 0.148 0.000 0.844 109 V N 0.266 120.249 119.914 0.114 0.000 2.331 109 V HA 0.008 4.132 4.120 0.006 0.000 0.242 109 V C 1.053 177.201 176.094 0.090 0.000 1.034 109 V CA 1.645 64.002 62.300 0.094 0.000 1.027 109 V CB -0.766 31.111 31.823 0.090 0.000 0.667 109 V HN 0.084 nan 8.190 nan 0.000 0.457 110 D N -0.126 120.335 120.400 0.101 0.000 2.462 110 D HA 0.275 4.918 4.640 0.006 0.000 0.249 110 D C -2.196 174.150 176.300 0.078 0.000 1.117 110 D CA -2.342 51.700 54.000 0.071 0.000 0.900 110 D CB 1.745 42.573 40.800 0.046 0.000 1.039 110 D HN 0.110 nan 8.370 nan 0.000 0.516 111 P HA -0.035 nan 4.420 nan 0.000 0.231 111 P C 0.813 178.161 177.300 0.079 0.000 1.158 111 P CA 0.462 63.626 63.100 0.107 0.000 0.763 111 P CB 0.299 32.061 31.700 0.104 0.000 0.805 112 N N -0.493 118.221 118.700 0.023 0.000 2.459 112 N HA -0.044 4.700 4.740 0.006 0.000 0.181 112 N C 0.680 176.142 175.510 -0.080 0.000 1.046 112 N CA 0.655 53.690 53.050 -0.026 0.000 0.904 112 N CB -0.124 38.328 38.487 -0.058 0.000 0.964 112 N HN 0.272 nan 8.380 nan 0.000 0.444 113 R N 0.509 120.967 120.500 -0.069 0.000 2.357 113 R HA 0.459 4.803 4.340 0.006 0.000 0.296 113 R C -0.654 175.539 176.300 -0.180 0.000 1.052 113 R CA -0.260 55.731 56.100 -0.181 0.000 0.988 113 R CB 2.124 32.364 30.300 -0.100 0.000 1.025 113 R HN -0.183 nan 8.270 nan 0.000 0.469 114 V N 4.116 123.786 119.914 -0.407 0.000 3.012 114 V HA 0.532 4.656 4.120 0.006 0.000 0.307 114 V C -1.871 174.019 176.094 -0.340 0.000 1.166 114 V CA -0.677 61.442 62.300 -0.301 0.000 0.974 114 V CB 2.060 33.648 31.823 -0.392 0.000 1.040 114 V HN 0.700 nan 8.190 nan 0.000 0.428 115 Y N 4.873 125.257 120.300 0.140 0.000 2.512 115 Y HA 0.745 5.299 4.550 0.006 0.000 0.348 115 Y C -0.121 175.882 175.900 0.170 0.000 0.990 115 Y CA -0.781 57.468 58.100 0.249 0.000 1.033 115 Y CB 2.287 40.882 38.460 0.226 0.000 1.259 115 Y HN 0.479 nan 8.280 nan 0.000 0.461 116 I N 2.311 123.037 120.570 0.259 0.000 2.533 116 I HA 0.369 4.543 4.170 0.006 0.000 0.290 116 I C -1.180 174.901 176.117 -0.059 0.000 1.056 116 I CA -1.171 60.143 61.300 0.023 0.000 1.057 116 I CB 2.257 40.141 38.000 -0.194 0.000 1.240 116 I HN 0.381 nan 8.210 nan 0.000 0.423 117 V N 6.705 126.570 119.914 -0.083 0.000 2.385 117 V HA 0.808 4.931 4.120 0.006 0.000 0.269 117 V C -0.047 175.933 176.094 -0.189 0.000 1.043 117 V CA 0.051 62.251 62.300 -0.167 0.000 0.906 117 V CB 0.866 32.601 31.823 -0.148 0.000 0.995 117 V HN 0.777 nan 8.190 nan 0.000 0.467 118 A N 4.955 127.617 122.820 -0.264 0.000 2.365 118 A HA 1.029 5.353 4.320 0.006 0.000 0.318 118 A C 0.190 177.692 177.584 -0.137 0.000 1.091 118 A CA -0.134 51.752 52.037 -0.252 0.000 0.763 118 A CB 1.690 20.440 19.000 -0.417 0.000 1.248 118 A HN 2.348 nan 8.150 nan 0.000 0.442 119 G N 0.643 109.400 108.800 -0.071 0.000 2.350 119 G HA2 0.279 4.243 3.960 0.006 0.000 0.274 119 G HA3 0.279 4.243 3.960 0.006 0.000 0.274 119 G C -0.119 174.677 174.900 -0.173 0.000 1.621 119 G CA 0.061 45.124 45.100 -0.062 0.000 0.935 119 G HN 0.961 nan 8.290 nan 0.000 0.694 120 M N 0.887 120.321 119.600 -0.278 0.000 2.325 120 M HA 0.388 4.872 4.480 0.006 0.000 0.265 120 M C -0.187 175.773 176.300 -0.567 0.000 1.094 120 M CA 0.938 55.934 55.300 -0.507 0.000 1.161 120 M CB 0.349 32.493 32.600 -0.760 0.000 1.358 120 M HN 0.531 nan 8.290 nan 0.000 0.446 121 Y N -0.998 119.310 120.300 0.013 0.000 2.477 121 Y HA 0.276 4.829 4.550 0.006 0.000 0.347 121 Y C 1.066 176.946 175.900 -0.034 0.000 0.981 121 Y CA -1.097 57.019 58.100 0.026 0.000 1.033 121 Y CB 1.284 39.807 38.460 0.105 0.000 1.245 121 Y HN 0.055 nan 8.280 nan 0.000 0.455 122 T N -2.857 111.750 114.554 0.090 0.000 3.107 122 T HA 0.061 4.414 4.350 0.006 0.000 0.249 122 T C 0.431 175.114 174.700 -0.028 0.000 1.096 122 T CA 0.150 62.255 62.100 0.009 0.000 1.012 122 T CB -0.493 68.357 68.868 -0.031 0.000 0.977 122 T HN 0.611 nan 8.240 nan 0.000 0.527 123 N N 1.258 119.916 118.700 -0.069 0.000 2.620 123 N HA 0.195 4.939 4.740 0.006 0.000 0.307 123 N C -0.057 175.429 175.510 -0.041 0.000 1.316 123 N CA -0.767 52.202 53.050 -0.135 0.000 0.931 123 N CB 0.034 38.305 38.487 -0.360 0.000 1.116 123 N HN -0.174 nan 8.380 nan 0.000 0.573 124 D N -1.604 118.779 120.400 -0.029 0.000 2.325 124 D HA 0.066 4.710 4.640 0.006 0.000 0.225 124 D C 0.677 177.104 176.300 0.211 0.000 1.096 124 D CA -0.046 54.002 54.000 0.080 0.000 0.844 124 D CB -0.243 40.602 40.800 0.075 0.000 0.925 124 D HN 0.426 nan 8.370 nan 0.000 0.513 125 W N 0.852 122.146 121.300 -0.011 0.000 2.374 125 W HA 0.044 4.708 4.660 0.006 0.000 0.288 125 W C 0.811 177.350 176.519 0.034 0.000 1.218 125 W CA 0.381 57.686 57.345 -0.067 0.000 1.245 125 W CB -0.304 28.955 29.460 -0.336 0.000 1.126 125 W HN -0.044 nan 8.180 nan 0.000 0.545 126 L N 0.477 121.895 121.223 0.324 0.000 2.388 126 L HA 0.246 4.590 4.340 0.006 0.000 0.264 126 L C -1.108 175.825 176.870 0.104 0.000 0.998 126 L CA -1.775 53.188 54.840 0.204 0.000 0.817 126 L CB 2.741 44.931 42.059 0.219 0.000 1.338 126 L HN -0.431 nan 8.230 nan 0.000 0.414 127 P HA -0.009 nan 4.420 nan 0.000 0.230 127 P C -0.297 176.989 177.300 -0.024 0.000 1.168 127 P CA 0.359 63.469 63.100 0.018 0.000 0.793 127 P CB 0.223 31.931 31.700 0.015 0.000 0.851 128 N N 0.954 119.603 118.700 -0.085 0.000 2.454 128 N HA 0.071 4.815 4.740 0.006 0.000 0.254 128 N C 0.609 176.068 175.510 -0.084 0.000 1.228 128 N CA 0.045 53.009 53.050 -0.143 0.000 0.900 128 N CB 0.394 38.641 38.487 -0.399 0.000 1.089 128 N HN -0.033 nan 8.380 nan 0.000 0.449 129 M N 1.003 120.573 119.600 -0.050 0.000 2.228 129 M HA 0.157 4.641 4.480 0.006 0.000 0.326 129 M C 1.331 177.609 176.300 -0.037 0.000 1.122 129 M CA -0.434 54.824 55.300 -0.071 0.000 1.161 129 M CB -0.173 32.362 32.600 -0.107 0.000 1.437 129 M HN 0.528 nan 8.290 nan 0.000 0.465 130 G N 0.670 109.372 108.800 -0.164 0.000 2.664 130 G HA2 0.499 4.463 3.960 0.006 0.000 0.242 130 G HA3 0.499 4.463 3.960 0.006 0.000 0.242 130 G C -0.915 173.795 174.900 -0.316 0.000 1.225 130 G CA -0.166 44.813 45.100 -0.201 0.000 0.849 130 G HN 0.911 nan 8.290 nan 0.000 0.581 131 A N 0.182 122.751 122.820 -0.417 0.000 2.539 131 A HA 0.636 4.960 4.320 0.006 0.000 0.296 131 A C -0.828 176.478 177.584 -0.463 0.000 1.073 131 A CA -0.651 51.078 52.037 -0.514 0.000 0.700 131 A CB 1.491 20.021 19.000 -0.782 0.000 1.296 131 A HN 0.530 nan 8.150 nan 0.000 0.405 132 I N 2.445 122.795 120.570 -0.366 0.000 2.321 132 I HA 0.297 4.471 4.170 0.006 0.000 0.291 132 I C -0.418 175.679 176.117 -0.033 0.000 0.998 132 I CA -0.144 61.033 61.300 -0.205 0.000 1.227 132 I CB 0.690 38.581 38.000 -0.181 0.000 1.368 132 I HN 0.492 nan 8.210 nan 0.000 0.466 133 L N 7.386 128.601 121.223 -0.015 0.000 2.289 133 L HA 0.571 4.914 4.340 0.006 0.000 0.285 133 L C 0.403 177.526 176.870 0.421 0.000 1.049 133 L CA -0.775 54.125 54.840 0.099 0.000 0.804 133 L CB 0.769 42.672 42.059 -0.259 0.000 1.195 133 L HN 0.614 nan 8.230 nan 0.000 0.428 134 R N 1.533 122.309 120.500 0.460 0.000 2.670 134 R HA 0.787 5.131 4.340 0.006 0.000 0.289 134 R C -1.000 175.318 176.300 0.031 0.000 0.965 134 R CA -0.633 55.615 56.100 0.247 0.000 0.899 134 R CB 2.094 32.535 30.300 0.234 0.000 1.173 134 R HN 0.533 nan 8.270 nan 0.000 0.456 135 S N 0.230 115.682 115.700 -0.414 0.000 2.548 135 S HA 0.257 4.731 4.470 0.006 0.000 0.276 135 S C 0.087 174.382 174.600 -0.508 0.000 1.129 135 S CA -0.503 57.305 58.200 -0.653 0.000 0.931 135 S CB 1.833 64.206 63.200 -1.379 0.000 1.068 135 S HN 0.735 nan 8.310 nan 0.000 0.480 136 T N -0.143 114.182 114.554 -0.382 0.000 3.145 136 T HA 0.269 4.623 4.350 0.006 0.000 0.255 136 T C -0.082 174.473 174.700 -0.241 0.000 1.039 136 T CA 0.194 62.123 62.100 -0.285 0.000 0.928 136 T CB -0.427 68.306 68.868 -0.225 0.000 1.029 136 T HN 0.629 nan 8.240 nan 0.000 0.554 137 D N 0.434 120.660 120.400 -0.291 0.000 2.785 137 D HA 0.182 4.825 4.640 0.006 0.000 0.324 137 D C 0.408 176.581 176.300 -0.212 0.000 1.523 137 D CA -0.804 53.064 54.000 -0.221 0.000 0.789 137 D CB -0.395 40.283 40.800 -0.204 0.000 1.171 137 D HN 0.280 nan 8.370 nan 0.000 0.447 138 R N -0.175 120.205 120.500 -0.201 0.000 3.776 138 R HA -0.087 4.257 4.340 0.006 0.000 0.312 138 R C 1.036 177.315 176.300 -0.034 0.000 1.181 138 R CA 0.584 56.671 56.100 -0.023 0.000 0.836 138 R CB -2.218 28.118 30.300 0.059 0.000 1.324 138 R HN 0.687 nan 8.270 nan 0.000 0.501 139 G N -0.690 107.855 108.800 -0.426 0.000 2.159 139 G HA2 -0.283 3.681 3.960 0.006 0.000 0.227 139 G HA3 -0.283 3.681 3.960 0.006 0.000 0.227 139 G C 0.705 175.402 174.900 -0.337 0.000 0.986 139 G CA 0.283 45.059 45.100 -0.541 0.000 0.651 139 G HN 0.318 nan 8.290 nan 0.000 0.523 140 E N 0.372 120.384 120.200 -0.313 0.000 2.072 140 E HA 0.015 4.369 4.350 0.006 0.000 0.191 140 E C 1.684 178.123 176.600 -0.268 0.000 0.985 140 E CA 1.842 58.122 56.400 -0.199 0.000 0.801 140 E CB -0.186 29.424 29.700 -0.150 0.000 0.750 140 E HN 0.919 nan 8.360 nan 0.000 0.452 141 T N -2.776 111.510 114.554 -0.446 0.000 2.906 141 T HA 0.573 4.927 4.350 0.006 0.000 0.295 141 T C -1.017 173.320 174.700 -0.604 0.000 1.075 141 T CA -0.920 60.941 62.100 -0.398 0.000 1.005 141 T CB 1.502 70.212 68.868 -0.262 0.000 1.136 141 T HN 0.048 nan 8.240 nan 0.000 0.498 142 W N -0.052 121.085 121.300 -0.270 0.000 3.033 142 W HA 0.641 5.305 4.660 0.006 0.000 0.336 142 W C -0.225 176.191 176.519 -0.173 0.000 1.173 142 W CA -0.714 56.505 57.345 -0.209 0.000 1.185 142 W CB 1.953 31.286 29.460 -0.212 0.000 1.425 142 W HN 0.772 nan 8.180 nan 0.000 0.536 143 E N 1.463 121.772 120.200 0.182 0.000 2.378 143 E HA 0.586 4.940 4.350 0.006 0.000 0.265 143 E C -0.934 175.763 176.600 0.161 0.000 0.932 143 E CA -1.332 55.140 56.400 0.120 0.000 0.795 143 E CB 2.758 32.501 29.700 0.070 0.000 1.296 143 E HN 0.384 nan 8.360 nan 0.000 0.438 144 K N -0.408 120.056 120.400 0.107 0.000 2.512 144 K HA 0.587 4.911 4.320 0.006 0.000 0.263 144 K C -1.297 175.337 176.600 0.056 0.000 0.966 144 K CA -0.756 55.569 56.287 0.064 0.000 0.851 144 K CB 2.095 34.584 32.500 -0.019 0.000 1.395 144 K HN 0.263 nan 8.250 nan 0.000 0.440 145 T N 2.338 116.913 114.554 0.035 0.000 2.809 145 T HA 0.361 4.715 4.350 0.006 0.000 0.284 145 T C -0.528 174.123 174.700 -0.083 0.000 0.992 145 T CA -0.666 61.458 62.100 0.041 0.000 0.957 145 T CB 0.414 69.388 68.868 0.176 0.000 0.942 145 T HN 0.376 nan 8.240 nan 0.000 0.439 146 I N 3.926 124.451 120.570 -0.076 0.000 2.496 146 I HA 0.277 4.450 4.170 0.006 0.000 0.285 146 I C 0.308 176.304 176.117 -0.200 0.000 1.080 146 I CA -0.714 60.504 61.300 -0.138 0.000 1.404 146 I CB 0.130 38.098 38.000 -0.053 0.000 1.403 146 I HN 0.490 nan 8.210 nan 0.000 0.539 147 L N 8.018 129.005 121.223 -0.394 0.000 2.387 147 L HA 0.451 4.795 4.340 0.006 0.000 0.266 147 L C -1.442 175.109 176.870 -0.533 0.000 1.059 147 L CA -1.350 53.115 54.840 -0.624 0.000 0.801 147 L CB 0.768 42.053 42.059 -1.291 0.000 1.223 147 L HN 0.457 nan 8.230 nan 0.000 0.456 148 P HA 0.068 nan 4.420 nan 0.000 0.255 148 P C -0.900 176.349 177.300 -0.086 0.000 1.357 148 P CA 0.414 63.421 63.100 -0.154 0.000 0.839 148 P CB -0.309 31.438 31.700 0.077 0.000 1.356 149 F N -2.432 117.386 119.950 -0.221 0.000 2.685 149 F HA 0.646 5.177 4.527 0.006 0.000 0.315 149 F C -0.468 175.216 175.800 -0.193 0.000 1.126 149 F CA -1.804 56.075 58.000 -0.203 0.000 0.950 149 F CB 1.049 39.884 39.000 -0.274 0.000 1.360 149 F HN -0.480 nan 8.300 nan 0.000 0.469 150 K N 0.911 121.369 120.400 0.097 0.000 2.087 150 K HA 0.605 4.929 4.320 0.006 0.000 0.255 150 K C -1.000 175.633 176.600 0.056 0.000 0.988 150 K CA -0.901 55.392 56.287 0.011 0.000 0.915 150 K CB 1.457 33.965 32.500 0.014 0.000 1.043 150 K HN 0.542 nan 8.250 nan 0.000 0.457 151 M N 0.025 119.609 119.600 -0.026 0.000 2.573 151 M HA 0.323 4.806 4.480 0.006 0.000 0.309 151 M C 0.443 176.714 176.300 -0.048 0.000 1.202 151 M CA -0.183 55.093 55.300 -0.040 0.000 0.975 151 M CB 1.792 34.336 32.600 -0.093 0.000 1.600 151 M HN 0.714 nan 8.290 nan 0.000 0.479 152 G N -0.133 108.635 108.800 -0.054 0.000 5.001 152 G HA2 0.425 4.389 3.960 0.006 0.000 0.304 152 G HA3 0.425 4.389 3.960 0.006 0.000 0.304 152 G C 0.748 175.611 174.900 -0.062 0.000 1.400 152 G CA -0.177 44.894 45.100 -0.048 0.000 1.029 152 G HN 0.970 nan 8.290 nan 0.000 0.584 153 G N 1.100 109.830 108.800 -0.116 0.000 2.450 153 G HA2 -0.246 3.717 3.960 0.006 0.000 0.220 153 G HA3 -0.246 3.717 3.960 0.006 0.000 0.220 153 G C 1.195 176.049 174.900 -0.077 0.000 1.130 153 G CA 0.789 45.822 45.100 -0.113 0.000 0.760 153 G HN 0.503 nan 8.290 nan 0.000 0.557 154 N N -0.535 118.097 118.700 -0.114 0.000 2.328 154 N HA 0.204 4.948 4.740 0.006 0.000 0.247 154 N C 0.228 175.941 175.510 0.339 0.000 1.165 154 N CA -0.270 52.821 53.050 0.067 0.000 0.873 154 N CB 0.064 38.528 38.487 -0.038 0.000 1.125 154 N HN -0.031 nan 8.380 nan 0.000 0.513 155 M N 0.300 120.023 119.600 0.205 0.000 2.494 155 M HA 0.510 4.994 4.480 0.006 0.000 0.300 155 M C -2.011 174.337 176.300 0.079 0.000 1.189 155 M CA -2.661 52.718 55.300 0.132 0.000 0.982 155 M CB -0.257 32.329 32.600 -0.024 0.000 1.534 155 M HN -0.136 nan 8.290 nan 0.000 0.488 156 P HA 0.204 nan 4.420 nan 0.000 0.268 156 P C 0.643 177.921 177.300 -0.036 0.000 1.208 156 P CA 0.708 63.752 63.100 -0.093 0.000 0.777 156 P CB 0.319 31.846 31.700 -0.287 0.000 0.875 157 G N 2.196 110.986 108.800 -0.016 0.000 2.148 157 G HA2 -0.334 3.630 3.960 0.006 0.000 0.254 157 G HA3 -0.334 3.630 3.960 0.006 0.000 0.254 157 G C 1.090 175.992 174.900 0.004 0.000 0.981 157 G CA 0.549 45.642 45.100 -0.012 0.000 0.670 157 G HN 0.712 nan 8.290 nan 0.000 0.528 158 R N 0.472 121.008 120.500 0.060 0.000 2.237 158 R HA 0.036 4.379 4.340 0.006 0.000 0.219 158 R C 2.374 178.699 176.300 0.042 0.000 1.080 158 R CA 1.915 58.045 56.100 0.050 0.000 0.995 158 R CB -0.515 29.825 30.300 0.068 0.000 0.875 158 R HN 0.820 nan 8.270 nan 0.000 0.462 159 S N 0.358 116.127 115.700 0.116 0.000 2.527 159 S HA 0.087 4.561 4.470 0.006 0.000 0.222 159 S C 0.984 175.624 174.600 0.067 0.000 0.985 159 S CA -0.259 58.023 58.200 0.137 0.000 0.921 159 S CB -0.149 63.244 63.200 0.322 0.000 0.772 159 S HN 0.201 nan 8.310 nan 0.000 0.529 160 M N 2.064 121.631 119.600 -0.054 0.000 2.239 160 M HA 0.518 5.002 4.480 0.006 0.000 0.348 160 M C 0.816 177.083 176.300 -0.054 0.000 1.239 160 M CA 0.637 55.823 55.300 -0.190 0.000 1.114 160 M CB 0.619 33.076 32.600 -0.238 0.000 1.641 160 M HN 0.512 nan 8.290 nan 0.000 0.453 161 G N 1.610 110.397 108.800 -0.021 0.000 2.327 161 G HA2 0.128 4.091 3.960 0.006 0.000 0.291 161 G HA3 0.128 4.091 3.960 0.006 0.000 0.291 161 G C -1.778 173.306 174.900 0.307 0.000 1.290 161 G CA -0.916 44.290 45.100 0.177 0.000 0.857 161 G HN 0.511 nan 8.290 nan 0.000 0.520 162 E N 0.317 120.695 120.200 0.297 0.000 2.289 162 E HA 0.296 4.649 4.350 0.006 0.000 0.278 162 E C 1.174 177.912 176.600 0.230 0.000 1.032 162 E CA -0.459 56.080 56.400 0.230 0.000 0.854 162 E CB 1.804 31.631 29.700 0.211 0.000 1.046 162 E HN 0.537 nan 8.360 nan 0.000 0.409 163 R N 1.057 121.650 120.500 0.154 0.000 2.148 163 R HA -0.042 4.302 4.340 0.006 0.000 0.227 163 R C 0.650 177.027 176.300 0.127 0.000 1.103 163 R CA 0.450 56.614 56.100 0.108 0.000 0.983 163 R CB 0.023 30.343 30.300 0.034 0.000 0.874 163 R HN 0.194 nan 8.270 nan 0.000 0.451 164 L N 0.340 121.652 121.223 0.148 0.000 2.295 164 L HA 0.538 4.882 4.340 0.006 0.000 0.285 164 L C -1.026 175.999 176.870 0.258 0.000 1.035 164 L CA -0.461 54.494 54.840 0.190 0.000 0.806 164 L CB 1.624 43.770 42.059 0.145 0.000 1.214 164 L HN -0.017 nan 8.230 nan 0.000 0.426 165 A N 5.667 128.690 122.820 0.338 0.000 2.486 165 A HA 0.774 5.097 4.320 0.006 0.000 0.300 165 A C -1.271 176.610 177.584 0.495 0.000 1.048 165 A CA -0.492 51.802 52.037 0.429 0.000 0.696 165 A CB 1.019 20.303 19.000 0.473 0.000 1.278 165 A HN 0.623 nan 8.150 nan 0.000 0.405 166 I N 1.685 122.481 120.570 0.377 0.000 2.377 166 I HA 0.229 4.403 4.170 0.006 0.000 0.293 166 I C -0.228 175.797 176.117 -0.154 0.000 0.987 166 I CA -0.628 60.766 61.300 0.157 0.000 1.185 166 I CB 1.666 39.748 38.000 0.137 0.000 1.341 166 I HN 0.656 nan 8.210 nan 0.000 0.455 167 D N 9.123 129.206 120.400 -0.528 0.000 2.451 167 D HA 0.014 4.657 4.640 0.006 0.000 0.254 167 D C -1.555 174.465 176.300 -0.467 0.000 1.204 167 D CA -1.402 51.944 54.000 -1.089 0.000 0.896 167 D CB 1.325 41.742 40.800 -0.637 0.000 1.136 167 D HN 0.270 nan 8.370 nan 0.000 0.499 168 P HA -0.006 nan 4.420 nan 0.000 0.241 168 P C 0.272 177.534 177.300 -0.063 0.000 1.191 168 P CA 0.690 63.727 63.100 -0.105 0.000 0.771 168 P CB 0.449 32.142 31.700 -0.011 0.000 0.929 169 N N -0.736 117.901 118.700 -0.103 0.000 2.482 169 N HA -0.005 4.739 4.740 0.006 0.000 0.179 169 N C 0.121 175.602 175.510 -0.048 0.000 1.039 169 N CA 0.274 53.295 53.050 -0.048 0.000 0.884 169 N CB 0.206 38.674 38.487 -0.031 0.000 1.113 169 N HN -0.057 nan 8.380 nan 0.000 0.440 170 D N 0.204 120.550 120.400 -0.089 0.000 2.375 170 D HA 0.078 4.722 4.640 0.006 0.000 0.259 170 D C -0.384 175.847 176.300 -0.115 0.000 1.235 170 D CA -0.501 53.450 54.000 -0.082 0.000 0.924 170 D CB 0.055 40.805 40.800 -0.083 0.000 1.143 170 D HN 0.125 nan 8.370 nan 0.000 0.529 171 N N 2.962 121.631 118.700 -0.052 0.000 2.571 171 N HA -0.080 4.664 4.740 0.006 0.000 0.189 171 N C 0.981 176.437 175.510 -0.090 0.000 1.154 171 N CA 0.050 53.098 53.050 -0.003 0.000 0.907 171 N CB -0.093 38.479 38.487 0.141 0.000 0.977 171 N HN 0.364 nan 8.380 nan 0.000 0.449 172 R N -0.023 120.254 120.500 -0.372 0.000 2.189 172 R HA 0.200 4.544 4.340 0.006 0.000 0.218 172 R C 0.330 176.360 176.300 -0.450 0.000 1.074 172 R CA 0.506 56.133 56.100 -0.789 0.000 0.991 172 R CB 0.052 29.895 30.300 -0.760 0.000 0.883 172 R HN 0.274 nan 8.270 nan 0.000 0.457 173 I N 1.759 122.161 120.570 -0.280 0.000 2.331 173 I HA 0.192 4.366 4.170 0.006 0.000 0.292 173 I C -0.725 175.314 176.117 -0.130 0.000 0.998 173 I CA -0.581 60.592 61.300 -0.211 0.000 1.267 173 I CB 1.210 39.161 38.000 -0.081 0.000 1.386 173 I HN -0.133 nan 8.210 nan 0.000 0.476 174 L N 7.002 128.107 121.223 -0.197 0.000 2.401 174 L HA 0.509 4.853 4.340 0.006 0.000 0.266 174 L C -1.021 175.889 176.870 0.067 0.000 0.991 174 L CA -0.362 54.483 54.840 0.007 0.000 0.818 174 L CB 1.714 43.710 42.059 -0.105 0.000 1.321 174 L HN 0.315 nan 8.230 nan 0.000 0.413 175 Y N 2.275 122.789 120.300 0.356 0.000 2.468 175 Y HA 0.745 5.299 4.550 0.007 0.000 0.342 175 Y C -0.667 175.446 175.900 0.356 0.000 1.021 175 Y CA -0.713 57.596 58.100 0.347 0.000 1.079 175 Y CB 2.217 40.799 38.460 0.204 0.000 1.226 175 Y HN 0.392 nan 8.280 nan 0.000 0.460 176 L N 2.174 123.670 121.223 0.455 0.000 2.406 176 L HA 0.766 5.110 4.340 0.006 0.000 0.272 176 L C -0.332 176.593 176.870 0.093 0.000 0.980 176 L CA -0.228 54.738 54.840 0.210 0.000 0.831 176 L CB 1.529 43.589 42.059 0.001 0.000 1.253 176 L HN 0.675 nan 8.230 nan 0.000 0.406 177 G N 2.444 111.244 108.800 -0.000 0.000 2.390 177 G HA2 0.509 4.472 3.960 0.006 0.000 0.270 177 G HA3 0.509 4.472 3.960 0.006 0.000 0.270 177 G C -0.226 174.605 174.900 -0.115 0.000 1.211 177 G CA 0.333 45.370 45.100 -0.105 0.000 0.842 177 G HN 0.793 nan 8.290 nan 0.000 0.519 178 T N -0.194 114.253 114.554 -0.178 0.000 2.926 178 T HA 0.700 5.053 4.350 0.006 0.000 0.289 178 T C 0.244 174.823 174.700 -0.202 0.000 1.054 178 T CA -0.976 60.974 62.100 -0.250 0.000 1.015 178 T CB 2.035 70.546 68.868 -0.595 0.000 1.167 178 T HN 0.558 nan 8.240 nan 0.000 0.526 179 R N -0.741 119.650 120.500 -0.183 0.000 2.606 179 R HA 0.601 4.945 4.340 0.006 0.000 0.249 179 R C 0.164 176.376 176.300 -0.146 0.000 1.127 179 R CA -0.551 55.473 56.100 -0.126 0.000 1.133 179 R CB 0.338 30.590 30.300 -0.081 0.000 1.243 179 R HN 0.922 nan 8.270 nan 0.000 0.558 180 C N -0.215 119.027 119.300 -0.097 0.000 4.392 180 C HA -0.120 4.344 4.460 0.006 0.000 0.280 180 C C 1.210 176.150 174.990 -0.083 0.000 1.381 180 C CA 0.614 59.582 59.018 -0.083 0.000 1.871 180 C CB -2.408 25.288 27.740 -0.074 0.000 1.323 180 C HN 1.288 nan 8.230 nan 0.000 0.772 181 G N -0.004 108.744 108.800 -0.087 0.000 2.143 181 G HA2 -0.332 3.632 3.960 0.006 0.000 0.249 181 G HA3 -0.332 3.632 3.960 0.006 0.000 0.249 181 G C 0.248 175.102 174.900 -0.077 0.000 0.981 181 G CA 0.756 45.815 45.100 -0.068 0.000 0.665 181 G HN 0.747 nan 8.290 nan 0.000 0.528 182 N N 0.411 119.018 118.700 -0.154 0.000 2.467 182 N HA 0.397 5.141 4.740 0.006 0.000 0.184 182 N C 1.772 177.280 175.510 -0.002 0.000 1.106 182 N CA 1.272 54.226 53.050 -0.160 0.000 0.892 182 N CB 0.124 38.236 38.487 -0.625 0.000 0.969 182 N HN 1.400 nan 8.380 nan 0.000 0.454 183 G N 0.873 109.633 108.800 -0.067 0.000 2.512 183 G HA2 -0.288 3.676 3.960 0.006 0.000 0.254 183 G HA3 -0.288 3.676 3.960 0.006 0.000 0.254 183 G C -0.803 174.049 174.900 -0.079 0.000 1.199 183 G CA -0.313 44.758 45.100 -0.047 0.000 0.941 183 G HN 0.209 nan 8.290 nan 0.000 0.569 184 L N -0.067 121.059 121.223 -0.161 0.000 2.313 184 L HA 0.841 5.185 4.340 0.006 0.000 0.283 184 L C -0.765 176.138 176.870 0.055 0.000 1.013 184 L CA -0.709 54.001 54.840 -0.216 0.000 0.816 184 L CB 1.113 42.684 42.059 -0.814 0.000 1.236 184 L HN 0.619 nan 8.230 nan 0.000 0.419 185 W N 4.854 126.135 121.300 -0.031 0.000 2.655 185 W HA 0.759 5.423 4.660 0.006 0.000 0.358 185 W C -0.322 176.333 176.519 0.226 0.000 1.100 185 W CA -0.599 56.830 57.345 0.138 0.000 1.195 185 W CB 1.342 30.940 29.460 0.230 0.000 1.403 185 W HN 0.408 nan 8.180 nan 0.000 0.589 186 R N 1.225 121.949 120.500 0.373 0.000 2.626 186 R HA 0.597 4.941 4.340 0.006 0.000 0.274 186 R C -1.328 174.746 176.300 -0.375 0.000 1.031 186 R CA -0.473 55.549 56.100 -0.130 0.000 0.898 186 R CB 2.107 32.135 30.300 -0.453 0.000 1.222 186 R HN 0.425 nan 8.270 nan 0.000 0.455 187 S N 0.405 115.559 115.700 -0.910 0.000 2.513 187 S HA 0.375 4.848 4.470 0.006 0.000 0.299 187 S C 0.080 174.312 174.600 -0.613 0.000 1.087 187 S CA -0.317 57.266 58.200 -1.027 0.000 1.012 187 S CB 1.623 63.732 63.200 -1.819 0.000 1.044 187 S HN 0.694 nan 8.310 nan 0.000 0.485 188 T N -0.231 114.058 114.554 -0.441 0.000 3.145 188 T HA 0.280 4.633 4.350 0.006 0.000 0.281 188 T C -0.339 174.165 174.700 -0.327 0.000 1.003 188 T CA -0.199 61.701 62.100 -0.334 0.000 0.901 188 T CB -0.261 68.467 68.868 -0.233 0.000 1.112 188 T HN 0.603 nan 8.240 nan 0.000 0.535 189 D N 0.097 120.304 120.400 -0.322 0.000 2.945 189 D HA 0.125 4.769 4.640 0.006 0.000 0.366 189 D C -0.482 175.796 176.300 -0.038 0.000 1.352 189 D CA -1.071 52.807 54.000 -0.203 0.000 0.810 189 D CB -1.074 39.670 40.800 -0.093 0.000 1.170 189 D HN 0.248 nan 8.370 nan 0.000 0.461 190 Y N 0.609 120.852 120.300 -0.095 0.000 3.389 190 Y HA -0.081 4.473 4.550 0.006 0.000 0.213 190 Y C 1.749 177.701 175.900 0.087 0.000 1.272 190 Y CA 0.822 58.939 58.100 0.028 0.000 1.444 190 Y CB -1.885 36.653 38.460 0.131 0.000 1.445 190 Y HN 0.568 nan 8.280 nan 0.000 0.583 191 G N -2.251 106.505 108.800 -0.075 0.000 2.162 191 G HA2 -0.343 3.621 3.960 0.006 0.000 0.260 191 G HA3 -0.343 3.621 3.960 0.006 0.000 0.260 191 G C 0.907 175.951 174.900 0.239 0.000 0.976 191 G CA 0.380 45.502 45.100 0.036 0.000 0.655 191 G HN 0.610 nan 8.290 nan 0.000 0.533 192 V N 0.774 120.750 119.914 0.103 0.000 2.323 192 V HA 0.133 4.257 4.120 0.006 0.000 0.244 192 V C 1.851 178.024 176.094 0.132 0.000 1.041 192 V CA 2.532 64.920 62.300 0.147 0.000 1.025 192 V CB -0.342 31.547 31.823 0.110 0.000 0.656 192 V HN 1.080 nan 8.190 nan 0.000 0.451 193 T N -3.123 111.409 114.554 -0.037 0.000 2.887 193 T HA 0.579 4.932 4.350 0.006 0.000 0.288 193 T C -1.486 173.107 174.700 -0.178 0.000 1.021 193 T CA -0.613 61.502 62.100 0.024 0.000 1.000 193 T CB 1.966 70.848 68.868 0.023 0.000 1.034 193 T HN 0.223 nan 8.240 nan 0.000 0.467 194 W N 1.234 122.610 121.300 0.126 0.000 2.915 194 W HA 0.650 5.314 4.660 0.006 0.000 0.337 194 W C -0.247 176.441 176.519 0.283 0.000 1.102 194 W CA -0.425 57.052 57.345 0.220 0.000 1.224 194 W CB 2.464 32.103 29.460 0.299 0.000 1.416 194 W HN 1.072 nan 8.180 nan 0.000 0.503 195 S N 1.100 117.016 115.700 0.361 0.000 2.588 195 S HA 0.574 5.048 4.470 0.006 0.000 0.275 195 S C -1.019 173.201 174.600 -0.633 0.000 1.130 195 S CA -1.294 56.849 58.200 -0.094 0.000 0.855 195 S CB 2.007 65.137 63.200 -0.117 0.000 1.116 195 S HN 0.433 nan 8.310 nan 0.000 0.472 196 K N 0.998 120.537 120.400 -1.434 0.000 2.401 196 K HA 0.339 4.663 4.320 0.006 0.000 0.278 196 K C -0.833 175.418 176.600 -0.582 0.000 1.018 196 K CA -0.487 54.902 56.287 -1.497 0.000 0.981 196 K CB 0.400 32.150 32.500 -1.250 0.000 0.933 196 K HN 0.534 nan 8.250 nan 0.000 0.477 197 V N 6.001 125.691 119.914 -0.373 0.000 2.338 197 V HA 0.009 4.133 4.120 0.006 0.000 0.255 197 V C 0.970 177.022 176.094 -0.069 0.000 1.082 197 V CA -0.127 62.115 62.300 -0.098 0.000 0.951 197 V CB 0.590 32.453 31.823 0.067 0.000 1.102 197 V HN 0.867 nan 8.190 nan 0.000 0.489 198 E N 2.584 122.743 120.200 -0.068 0.000 2.153 198 E HA -0.148 4.206 4.350 0.006 0.000 0.194 198 E C 2.245 178.854 176.600 0.014 0.000 0.988 198 E CA 1.482 57.852 56.400 -0.050 0.000 0.811 198 E CB -0.012 29.657 29.700 -0.052 0.000 0.746 198 E HN 0.842 nan 8.360 nan 0.000 0.466 199 S N 0.111 115.869 115.700 0.097 0.000 2.522 199 S HA -0.058 4.415 4.470 0.006 0.000 0.227 199 S C 0.694 175.391 174.600 0.162 0.000 0.986 199 S CA -0.354 57.943 58.200 0.161 0.000 0.929 199 S CB -0.485 62.871 63.200 0.260 0.000 0.769 199 S HN 0.083 nan 8.310 nan 0.000 0.529 200 F N 4.642 124.503 119.950 -0.149 0.000 2.541 200 F HA 0.318 4.848 4.527 0.006 0.000 0.378 200 F C -1.283 174.311 175.800 -0.344 0.000 1.068 200 F CA -2.142 55.564 58.000 -0.490 0.000 1.199 200 F CB 1.000 39.562 39.000 -0.730 0.000 1.091 200 F HN 0.026 nan 8.300 nan 0.000 0.555 201 P HA -0.044 nan 4.420 nan 0.000 0.227 201 P C -0.560 176.442 177.300 -0.497 0.000 1.161 201 P CA 0.770 63.534 63.100 -0.561 0.000 0.788 201 P CB 0.273 31.676 31.700 -0.495 0.000 0.822 202 N N 0.207 118.494 118.700 -0.690 0.000 2.558 202 N HA 0.179 4.922 4.740 0.006 0.000 0.285 202 N C -2.397 173.061 175.510 -0.088 0.000 1.112 202 N CA -2.004 50.833 53.050 -0.355 0.000 0.857 202 N CB 1.506 39.744 38.487 -0.416 0.000 1.376 202 N HN -0.166 nan 8.380 nan 0.000 0.526 203 P HA 0.221 nan 4.420 nan 0.000 0.249 203 P C 0.121 177.408 177.300 -0.021 0.000 1.229 203 P CA 0.419 63.512 63.100 -0.013 0.000 0.788 203 P CB -0.025 31.657 31.700 -0.029 0.000 1.072 204 G N -0.207 108.590 108.800 -0.005 0.000 2.697 204 G HA2 -0.039 3.925 3.960 0.006 0.000 0.686 204 G HA3 -0.039 3.925 3.960 0.006 0.000 0.686 204 G C 0.325 175.241 174.900 0.027 0.000 1.179 204 G CA -0.060 45.053 45.100 0.021 0.000 0.765 204 G HN 0.187 nan 8.290 nan 0.000 0.649 205 T N -1.676 112.915 114.554 0.062 0.000 2.964 205 T HA 0.295 4.649 4.350 0.006 0.000 0.250 205 T C 0.944 175.692 174.700 0.079 0.000 0.982 205 T CA 0.770 62.901 62.100 0.052 0.000 0.959 205 T CB 0.209 69.105 68.868 0.048 0.000 1.141 205 T HN 1.450 nan 8.240 nan 0.000 0.494 206 Y N 2.350 122.657 120.300 0.011 0.000 2.526 206 Y HA 0.517 5.070 4.550 0.006 0.000 0.330 206 Y C -0.524 175.394 175.900 0.031 0.000 1.156 206 Y CA -1.020 57.097 58.100 0.028 0.000 1.419 206 Y CB 0.113 38.601 38.460 0.048 0.000 1.250 206 Y HN 0.197 nan 8.280 nan 0.000 0.540 207 I N 7.903 128.111 120.570 -0.603 0.000 2.466 207 I HA 0.073 4.246 4.170 0.006 0.000 0.289 207 I C -0.116 175.595 176.117 -0.677 0.000 1.026 207 I CA -0.797 60.236 61.300 -0.446 0.000 1.078 207 I CB 1.452 39.316 38.000 -0.226 0.000 1.249 207 I HN 0.735 nan 8.210 nan 0.000 0.429 208 Y N 4.215 124.228 120.300 -0.478 0.000 2.097 208 Y HA -0.168 4.385 4.550 0.006 0.000 0.282 208 Y C 0.682 176.503 175.900 -0.131 0.000 1.152 208 Y CA 1.746 59.692 58.100 -0.258 0.000 1.136 208 Y CB 0.280 38.738 38.460 -0.004 0.000 0.975 208 Y HN 0.553 nan 8.280 nan 0.000 0.498 209 D N -2.272 118.074 120.400 -0.090 0.000 2.333 209 D HA 0.190 4.834 4.640 0.006 0.000 0.225 209 D C -2.540 173.761 176.300 0.002 0.000 1.345 209 D CA -1.634 52.327 54.000 -0.065 0.000 0.971 209 D CB 1.417 42.251 40.800 0.057 0.000 1.451 209 D HN -0.119 nan 8.370 nan 0.000 0.561 210 P HA -0.018 nan 4.420 nan 0.000 0.228 210 P C 0.781 178.014 177.300 -0.111 0.000 1.151 210 P CA 0.579 63.631 63.100 -0.079 0.000 0.770 210 P CB 0.318 31.960 31.700 -0.095 0.000 0.786 211 N N -1.346 117.246 118.700 -0.179 0.000 2.467 211 N HA 0.050 4.794 4.740 0.006 0.000 0.184 211 N C -0.078 174.987 175.510 -0.741 0.000 1.106 211 N CA 0.611 53.386 53.050 -0.458 0.000 0.892 211 N CB -0.023 38.100 38.487 -0.607 0.000 0.969 211 N HN 0.225 nan 8.380 nan 0.000 0.454 212 F N -1.015 118.946 119.950 0.018 0.000 2.565 212 F HA 0.180 4.711 4.527 0.006 0.000 0.313 212 F C 1.320 177.138 175.800 0.029 0.000 1.091 212 F CA -1.259 56.771 58.000 0.050 0.000 0.915 212 F CB 1.682 40.746 39.000 0.107 0.000 1.208 212 F HN -0.263 nan 8.300 nan 0.000 0.453 213 D N 1.022 121.549 120.400 0.211 0.000 2.116 213 D HA -0.296 4.347 4.640 0.006 0.000 0.193 213 D C 1.955 178.250 176.300 -0.008 0.000 0.998 213 D CA 1.927 55.968 54.000 0.068 0.000 0.836 213 D CB -0.170 40.668 40.800 0.062 0.000 0.951 213 D HN 0.572 nan 8.370 nan 0.000 0.449 214 Y N 0.324 120.572 120.300 -0.087 0.000 2.274 214 Y HA -0.097 4.456 4.550 0.006 0.000 0.290 214 Y C 1.979 177.845 175.900 -0.057 0.000 1.145 214 Y CA 2.053 60.008 58.100 -0.242 0.000 1.203 214 Y CB -0.434 37.933 38.460 -0.154 0.000 0.984 214 Y HN 0.131 nan 8.280 nan 0.000 0.533 215 T N -2.924 111.598 114.554 -0.053 0.000 3.054 215 T HA 0.089 4.442 4.350 0.006 0.000 0.255 215 T C 1.289 175.986 174.700 -0.005 0.000 1.035 215 T CA 0.145 62.223 62.100 -0.037 0.000 0.941 215 T CB -0.223 68.821 68.868 0.293 0.000 1.026 215 T HN 0.495 nan 8.240 nan 0.000 0.533 216 K N 0.925 121.303 120.400 -0.036 0.000 2.459 216 K HA 0.108 4.432 4.320 0.006 0.000 0.193 216 K C -0.207 176.351 176.600 -0.071 0.000 1.030 216 K CA 0.060 56.321 56.287 -0.044 0.000 1.026 216 K CB 0.051 32.527 32.500 -0.040 0.000 0.809 216 K HN 0.228 nan 8.250 nan 0.000 0.504 217 D N 1.709 122.056 120.400 -0.088 0.000 2.304 217 D HA 0.151 4.794 4.640 0.006 0.000 0.247 217 D C 0.191 176.453 176.300 -0.064 0.000 1.089 217 D CA -0.437 53.515 54.000 -0.079 0.000 0.910 217 D CB 1.218 41.965 40.800 -0.089 0.000 1.199 217 D HN 0.067 nan 8.370 nan 0.000 0.426 218 I N 2.711 123.249 120.570 -0.053 0.000 2.828 218 I HA -0.183 3.991 4.170 0.006 0.000 0.292 218 I C 1.824 177.934 176.117 -0.012 0.000 1.206 218 I CA -0.296 60.986 61.300 -0.030 0.000 1.420 218 I CB 0.577 38.557 38.000 -0.032 0.000 1.368 218 I HN 0.272 nan 8.210 nan 0.000 0.556 219 I N 5.030 125.629 120.570 0.049 0.000 2.226 219 I HA -0.107 4.067 4.170 0.006 0.000 0.245 219 I C 1.548 177.666 176.117 0.001 0.000 1.100 219 I CA 1.718 63.054 61.300 0.060 0.000 1.374 219 I CB -1.723 36.390 38.000 0.188 0.000 1.057 219 I HN 0.968 nan 8.210 nan 0.000 0.413 220 G N 0.292 109.093 108.800 0.001 0.000 2.484 220 G HA2 -0.207 3.757 3.960 0.006 0.000 0.225 220 G HA3 -0.207 3.757 3.960 0.006 0.000 0.225 220 G C -0.385 174.467 174.900 -0.080 0.000 1.250 220 G CA -0.239 44.831 45.100 -0.050 0.000 0.926 220 G HN 0.079 nan 8.290 nan 0.000 0.581 221 V N 1.821 121.657 119.914 -0.130 0.000 2.385 221 V HA 0.421 4.545 4.120 0.006 0.000 0.269 221 V C 1.677 177.660 176.094 -0.184 0.000 1.043 221 V CA 0.402 62.584 62.300 -0.196 0.000 0.906 221 V CB 0.889 32.536 31.823 -0.293 0.000 0.995 221 V HN 1.561 nan 8.190 nan 0.000 0.467 222 V N 1.979 121.753 119.914 -0.233 0.000 3.085 222 V HA 0.380 4.504 4.120 0.006 0.000 0.245 222 V C 0.380 176.485 176.094 0.018 0.000 1.114 222 V CA 0.220 62.441 62.300 -0.133 0.000 1.108 222 V CB 0.054 31.804 31.823 -0.122 0.000 0.798 222 V HN 0.832 nan 8.190 nan 0.000 0.471 223 W N -1.677 119.602 121.300 -0.036 0.000 3.137 223 W HA 0.794 5.457 4.660 0.006 0.000 0.324 223 W C -2.137 174.372 176.519 -0.017 0.000 1.253 223 W CA -1.107 56.238 57.345 -0.001 0.000 1.183 223 W CB 1.250 30.733 29.460 0.039 0.000 1.424 223 W HN -0.214 nan 8.180 nan 0.000 0.566 224 V N 2.154 122.304 119.914 0.393 0.000 2.577 224 V HA 0.536 4.660 4.120 0.006 0.000 0.303 224 V C -0.681 175.550 176.094 0.230 0.000 1.042 224 V CA -0.843 61.563 62.300 0.178 0.000 0.872 224 V CB 1.622 33.415 31.823 -0.050 0.000 0.998 224 V HN 0.411 nan 8.190 nan 0.000 0.423 225 V N 5.085 125.130 119.914 0.219 0.000 2.483 225 V HA 0.529 4.653 4.120 0.006 0.000 0.297 225 V C -0.778 175.377 176.094 0.103 0.000 1.027 225 V CA -0.510 61.919 62.300 0.216 0.000 0.855 225 V CB 1.752 33.747 31.823 0.288 0.000 0.995 225 V HN 0.675 nan 8.190 nan 0.000 0.424 226 F N 2.462 122.553 119.950 0.235 0.000 2.385 226 F HA 0.383 4.914 4.527 0.006 0.000 0.336 226 F C 0.681 176.603 175.800 0.203 0.000 1.100 226 F CA -0.398 57.716 58.000 0.191 0.000 1.116 226 F CB 0.971 40.058 39.000 0.145 0.000 1.166 226 F HN 0.415 nan 8.300 nan 0.000 0.511 227 D N 3.402 124.031 120.400 0.381 0.000 2.441 227 D HA 0.055 4.699 4.640 0.006 0.000 0.221 227 D C 1.065 177.495 176.300 0.216 0.000 1.156 227 D CA 0.001 54.173 54.000 0.287 0.000 0.896 227 D CB 0.643 41.616 40.800 0.288 0.000 1.028 227 D HN 0.551 nan 8.370 nan 0.000 0.509 228 K N 1.563 122.074 120.400 0.184 0.000 2.152 228 K HA -0.175 4.148 4.320 0.006 0.000 0.206 228 K C 1.597 178.249 176.600 0.086 0.000 1.048 228 K CA 1.444 57.803 56.287 0.121 0.000 0.933 228 K CB 0.156 32.715 32.500 0.098 0.000 0.721 228 K HN 0.389 nan 8.250 nan 0.000 0.447 229 S N -0.089 115.661 115.700 0.083 0.000 2.481 229 S HA -0.090 4.384 4.470 0.006 0.000 0.231 229 S C 1.757 176.389 174.600 0.053 0.000 0.996 229 S CA 1.139 59.374 58.200 0.057 0.000 0.942 229 S CB -0.186 63.042 63.200 0.047 0.000 0.768 229 S HN 0.387 nan 8.310 nan 0.000 0.520 230 S N 0.064 115.805 115.700 0.068 0.000 2.555 230 S HA 0.243 4.717 4.470 0.006 0.000 0.230 230 S C 0.611 175.233 174.600 0.037 0.000 0.978 230 S CA -0.059 58.172 58.200 0.052 0.000 0.934 230 S CB -0.282 62.953 63.200 0.059 0.000 0.766 230 S HN 0.400 nan 8.310 nan 0.000 0.533 231 S N 0.385 116.109 115.700 0.040 0.000 2.651 231 S HA 0.652 5.125 4.470 0.006 0.000 0.279 231 S C -0.548 174.065 174.600 0.022 0.000 1.148 231 S CA -0.653 57.563 58.200 0.026 0.000 0.837 231 S CB 1.915 65.130 63.200 0.025 0.000 1.138 231 S HN 0.574 nan 8.310 nan 0.000 0.478 232 T N 0.082 114.645 114.554 0.015 0.000 2.929 232 T HA 0.658 5.012 4.350 0.006 0.000 0.284 232 T C -3.067 171.640 174.700 0.011 0.000 1.014 232 T CA -2.438 59.670 62.100 0.013 0.000 1.051 232 T CB 0.689 69.563 68.868 0.010 0.000 1.028 232 T HN 0.179 nan 8.240 nan 0.000 0.485 233 P HA 0.269 nan 4.420 nan 0.000 0.264 233 P C 1.174 178.478 177.300 0.007 0.000 1.183 233 P CA 1.241 64.347 63.100 0.011 0.000 0.763 233 P CB 0.148 31.859 31.700 0.018 0.000 0.807 234 G N 1.740 110.541 108.800 0.002 0.000 2.234 234 G HA2 -0.191 3.772 3.960 0.006 0.000 0.235 234 G HA3 -0.191 3.772 3.960 0.006 0.000 0.235 234 G C 0.186 175.079 174.900 -0.011 0.000 0.997 234 G CA -0.417 44.682 45.100 -0.002 0.000 0.623 234 G HN 0.575 nan 8.290 nan 0.000 0.514 235 N N 1.625 120.319 118.700 -0.010 0.000 2.417 235 N HA 0.511 5.255 4.740 0.006 0.000 0.300 235 N C -2.966 172.535 175.510 -0.014 0.000 1.102 235 N CA -1.406 51.637 53.050 -0.011 0.000 0.886 235 N CB 1.677 40.162 38.487 -0.004 0.000 1.203 235 N HN -0.010 nan 8.380 nan 0.000 0.496 236 P HA -0.016 nan 4.420 nan 0.000 0.264 236 P C -0.292 177.027 177.300 0.031 0.000 1.183 236 P CA 0.454 63.559 63.100 0.008 0.000 0.763 236 P CB 0.217 31.932 31.700 0.025 0.000 0.807 237 T N 3.947 118.533 114.554 0.052 0.000 2.853 237 T HA 0.030 4.384 4.350 0.006 0.000 0.298 237 T C 1.434 176.207 174.700 0.122 0.000 0.978 237 T CA 0.116 62.278 62.100 0.103 0.000 1.152 237 T CB 0.371 69.340 68.868 0.169 0.000 0.914 237 T HN 0.345 nan 8.240 nan 0.000 0.539 238 K N 1.774 122.211 120.400 0.061 0.000 2.076 238 K HA 0.011 4.335 4.320 0.006 0.000 0.204 238 K C 0.738 177.308 176.600 -0.050 0.000 1.051 238 K CA 0.777 57.065 56.287 0.001 0.000 0.949 238 K CB 0.273 32.764 32.500 -0.015 0.000 0.726 238 K HN 0.459 nan 8.250 nan 0.000 0.443 239 T N 1.715 116.257 114.554 -0.019 0.000 2.767 239 T HA 0.478 4.832 4.350 0.006 0.000 0.284 239 T C -0.239 174.404 174.700 -0.095 0.000 0.973 239 T CA -0.345 61.689 62.100 -0.110 0.000 0.996 239 T CB 0.943 69.771 68.868 -0.067 0.000 0.927 239 T HN -0.011 nan 8.240 nan 0.000 0.456 240 I N 2.980 123.386 120.570 -0.274 0.000 2.569 240 I HA 0.412 4.586 4.170 0.006 0.000 0.290 240 I C -1.211 174.769 176.117 -0.228 0.000 1.088 240 I CA -1.115 60.048 61.300 -0.227 0.000 1.047 240 I CB 1.888 39.719 38.000 -0.283 0.000 1.237 240 I HN 0.545 nan 8.210 nan 0.000 0.421 241 Y N 4.629 125.004 120.300 0.124 0.000 2.360 241 Y HA 0.694 5.248 4.550 0.007 0.000 0.337 241 Y C -0.132 175.890 175.900 0.204 0.000 1.039 241 Y CA -0.926 57.324 58.100 0.250 0.000 1.109 241 Y CB 1.961 40.621 38.460 0.333 0.000 1.201 241 Y HN 0.151 nan 8.280 nan 0.000 0.458 242 V N 2.147 122.213 119.914 0.254 0.000 2.638 242 V HA 0.681 4.804 4.120 0.006 0.000 0.306 242 V C 0.053 175.875 176.094 -0.454 0.000 1.052 242 V CA -0.966 61.264 62.300 -0.117 0.000 0.885 242 V CB 1.887 33.602 31.823 -0.180 0.000 0.999 242 V HN 0.944 nan 8.190 nan 0.000 0.424 243 G N 2.875 110.883 108.800 -1.320 0.000 2.356 243 G HA2 0.637 4.601 3.960 0.006 0.000 0.322 243 G HA3 0.637 4.601 3.960 0.006 0.000 0.322 243 G C -1.080 173.405 174.900 -0.692 0.000 1.125 243 G CA -0.424 43.799 45.100 -1.463 0.000 0.885 243 G HN 0.575 nan 8.290 nan 0.000 0.467 244 V N 1.197 120.935 119.914 -0.293 0.000 2.656 244 V HA 0.626 4.749 4.120 0.006 0.000 0.307 244 V C 0.439 176.495 176.094 -0.064 0.000 1.051 244 V CA -1.002 61.237 62.300 -0.103 0.000 0.893 244 V CB 1.890 33.777 31.823 0.107 0.000 0.999 244 V HN 1.063 nan 8.190 nan 0.000 0.426 245 A N 3.043 125.834 122.820 -0.048 0.000 2.797 245 A HA 0.533 4.857 4.320 0.006 0.000 0.296 245 A C -0.093 177.535 177.584 0.074 0.000 1.580 245 A CA 0.355 52.387 52.037 -0.009 0.000 1.277 245 A CB -0.531 18.481 19.000 0.020 0.000 1.101 245 A HN 0.790 nan 8.150 nan 0.000 0.562 246 D N 1.954 122.390 120.400 0.060 0.000 2.591 246 D HA 0.136 4.780 4.640 0.006 0.000 0.222 246 D C 0.463 176.794 176.300 0.052 0.000 1.360 246 D CA -0.432 53.619 54.000 0.086 0.000 0.967 246 D CB 0.869 41.719 40.800 0.084 0.000 1.456 246 D HN 0.304 nan 8.370 nan 0.000 0.588 247 K N 1.918 122.355 120.400 0.063 0.000 2.283 247 K HA -0.099 4.225 4.320 0.006 0.000 0.202 247 K C 1.378 177.966 176.600 -0.019 0.000 1.048 247 K CA 0.785 57.089 56.287 0.028 0.000 0.948 247 K CB 0.214 32.750 32.500 0.060 0.000 0.742 247 K HN 0.244 nan 8.250 nan 0.000 0.458 248 N N 0.917 119.610 118.700 -0.011 0.000 2.333 248 N HA -0.099 4.645 4.740 0.006 0.000 0.178 248 N C -0.486 174.973 175.510 -0.085 0.000 1.018 248 N CA 0.762 53.785 53.050 -0.045 0.000 0.882 248 N CB 0.563 39.037 38.487 -0.021 0.000 0.984 248 N HN 0.064 nan 8.380 nan 0.000 0.434 249 E N -1.190 118.972 120.200 -0.063 0.000 2.428 249 E HA 0.150 4.503 4.350 0.006 0.000 0.307 249 E C -0.936 175.622 176.600 -0.070 0.000 0.902 249 E CA -0.131 56.194 56.400 -0.124 0.000 0.799 249 E CB 0.528 30.174 29.700 -0.089 0.000 1.351 249 E HN 0.246 nan 8.360 nan 0.000 0.392 250 S N 3.996 119.608 115.700 -0.146 0.000 2.589 250 S HA 0.319 4.792 4.470 0.006 0.000 0.235 250 S C 0.421 174.963 174.600 -0.097 0.000 1.051 250 S CA -0.289 57.891 58.200 -0.033 0.000 0.978 250 S CB 0.548 63.765 63.200 0.028 0.000 0.929 250 S HN 0.377 nan 8.310 nan 0.000 0.523 251 I N 2.750 123.150 120.570 -0.283 0.000 2.382 251 I HA 0.518 4.692 4.170 0.006 0.000 0.286 251 I C -1.281 174.613 176.117 -0.371 0.000 1.002 251 I CA -1.024 60.184 61.300 -0.154 0.000 1.135 251 I CB 0.499 38.553 38.000 0.091 0.000 1.288 251 I HN 0.176 nan 8.210 nan 0.000 0.448 252 Y N 4.994 125.346 120.300 0.086 0.000 2.549 252 Y HA 0.684 5.238 4.550 0.007 0.000 0.339 252 Y C 0.395 176.452 175.900 0.261 0.000 1.053 252 Y CA -0.828 57.354 58.100 0.138 0.000 1.105 252 Y CB 2.158 40.659 38.460 0.068 0.000 1.258 252 Y HN 0.451 nan 8.280 nan 0.000 0.478 253 R N 1.075 121.802 120.500 0.378 0.000 2.604 253 R HA 0.600 4.944 4.340 0.006 0.000 0.281 253 R C -1.572 174.738 176.300 0.017 0.000 1.020 253 R CA -0.477 55.683 56.100 0.100 0.000 0.899 253 R CB 1.931 32.163 30.300 -0.114 0.000 1.205 253 R HN 0.716 nan 8.270 nan 0.000 0.450 254 S N 0.768 116.255 115.700 -0.354 0.000 2.501 254 S HA 0.337 4.810 4.470 0.006 0.000 0.301 254 S C 0.464 174.796 174.600 -0.447 0.000 1.096 254 S CA -0.333 57.442 58.200 -0.708 0.000 1.063 254 S CB 1.472 63.719 63.200 -1.589 0.000 1.042 254 S HN 0.699 nan 8.310 nan 0.000 0.494 255 T N -0.335 114.024 114.554 -0.324 0.000 3.091 255 T HA 0.236 4.590 4.350 0.006 0.000 0.277 255 T C -0.116 174.482 174.700 -0.170 0.000 0.996 255 T CA -0.124 61.854 62.100 -0.204 0.000 0.897 255 T CB -0.197 68.596 68.868 -0.125 0.000 1.109 255 T HN 0.610 nan 8.240 nan 0.000 0.534 256 D N 0.656 120.921 120.400 -0.225 0.000 2.696 256 D HA 0.350 4.994 4.640 0.006 0.000 0.269 256 D C 1.283 177.495 176.300 -0.147 0.000 1.319 256 D CA -0.404 53.500 54.000 -0.159 0.000 0.826 256 D CB -0.290 40.424 40.800 -0.143 0.000 1.086 256 D HN 0.373 nan 8.370 nan 0.000 0.481 257 G N -0.128 108.586 108.800 -0.144 0.000 2.221 257 G HA2 -0.009 3.955 3.960 0.006 0.000 0.265 257 G HA3 -0.009 3.955 3.960 0.006 0.000 0.265 257 G C 1.141 176.026 174.900 -0.025 0.000 1.041 257 G CA 0.330 45.404 45.100 -0.044 0.000 0.807 257 G HN 1.459 nan 8.290 nan 0.000 0.502 258 G N -3.111 105.524 108.800 -0.274 0.000 2.157 258 G HA2 -0.158 3.805 3.960 0.006 0.000 0.248 258 G HA3 -0.158 3.805 3.960 0.006 0.000 0.248 258 G C 1.268 176.132 174.900 -0.059 0.000 0.979 258 G CA 0.988 45.959 45.100 -0.214 0.000 0.650 258 G HN 1.439 nan 8.290 nan 0.000 0.529 259 V N 0.791 120.612 119.914 -0.156 0.000 2.323 259 V HA 0.143 4.266 4.120 0.006 0.000 0.244 259 V C 1.859 177.899 176.094 -0.089 0.000 1.041 259 V CA 2.587 64.853 62.300 -0.058 0.000 1.025 259 V CB -0.377 31.411 31.823 -0.058 0.000 0.656 259 V HN 1.105 nan 8.190 nan 0.000 0.451 260 T N -3.164 111.218 114.554 -0.287 0.000 2.924 260 T HA 0.589 4.943 4.350 0.006 0.000 0.291 260 T C -1.531 172.865 174.700 -0.507 0.000 1.045 260 T CA -0.671 61.301 62.100 -0.213 0.000 1.015 260 T CB 2.086 70.891 68.868 -0.106 0.000 1.103 260 T HN 0.232 nan 8.240 nan 0.000 0.496 261 W N 0.427 121.712 121.300 -0.024 0.000 3.022 261 W HA 0.684 5.347 4.660 0.006 0.000 0.335 261 W C -0.370 176.129 176.519 -0.032 0.000 1.133 261 W CA -0.819 56.505 57.345 -0.035 0.000 1.219 261 W CB 2.209 31.595 29.460 -0.123 0.000 1.409 261 W HN 0.588 nan 8.180 nan 0.000 0.507 262 K N 1.684 122.231 120.400 0.245 0.000 2.469 262 K HA 0.748 5.072 4.320 0.006 0.000 0.254 262 K C -0.475 176.233 176.600 0.180 0.000 0.939 262 K CA -1.155 55.235 56.287 0.172 0.000 0.812 262 K CB 2.412 34.953 32.500 0.068 0.000 1.301 262 K HN 0.534 nan 8.250 nan 0.000 0.433 263 A N 1.718 124.565 122.820 0.045 0.000 2.511 263 A HA 0.165 4.488 4.320 0.006 0.000 0.242 263 A C 0.142 177.636 177.584 -0.151 0.000 1.069 263 A CA -0.253 51.597 52.037 -0.310 0.000 0.763 263 A CB 0.093 18.885 19.000 -0.348 0.000 1.001 263 A HN 0.418 nan 8.150 nan 0.000 0.498 264 V N 5.715 125.530 119.914 -0.165 0.000 2.470 264 V HA 0.161 4.285 4.120 0.006 0.000 0.276 264 V C -1.926 174.152 176.094 -0.027 0.000 1.040 264 V CA -0.919 61.348 62.300 -0.055 0.000 1.008 264 V CB 0.618 32.382 31.823 -0.100 0.000 0.990 264 V HN 0.771 nan 8.190 nan 0.000 0.477 265 P HA 0.271 nan 4.420 nan 0.000 0.268 265 P C 0.934 178.298 177.300 0.107 0.000 1.205 265 P CA 1.000 64.125 63.100 0.043 0.000 0.771 265 P CB 0.716 32.467 31.700 0.085 0.000 0.858 266 G N 0.973 109.717 108.800 -0.093 0.000 2.176 266 G HA2 -0.226 3.738 3.960 0.006 0.000 0.253 266 G HA3 -0.226 3.738 3.960 0.006 0.000 0.253 266 G C 0.154 174.508 174.900 -0.909 0.000 0.979 266 G CA 0.151 45.119 45.100 -0.220 0.000 0.641 266 G HN 0.781 nan 8.290 nan 0.000 0.530 267 Q N 1.114 120.276 119.800 -1.064 0.000 2.392 267 Q HA 0.536 4.880 4.340 0.006 0.000 0.262 267 Q C -2.085 173.145 176.000 -1.283 0.000 1.003 267 Q CA -1.155 53.593 55.803 -1.758 0.000 0.888 267 Q CB 0.735 28.830 28.738 -1.071 0.000 1.260 267 Q HN 0.314 nan 8.270 nan 0.000 0.435 268 P HA 0.131 nan 4.420 nan 0.000 0.274 268 P C -1.238 175.620 177.300 -0.738 0.000 1.231 268 P CA -0.142 62.276 63.100 -1.137 0.000 0.790 268 P CB 0.882 31.642 31.700 -1.566 0.000 0.951 269 K N -0.055 120.047 120.400 -0.496 0.000 2.352 269 K HA 0.696 5.020 4.320 0.006 0.000 0.240 269 K C 0.155 176.600 176.600 -0.259 0.000 1.017 269 K CA -0.969 55.130 56.287 -0.314 0.000 0.851 269 K CB 1.673 34.041 32.500 -0.220 0.000 1.261 269 K HN 0.487 nan 8.250 nan 0.000 0.451 270 G N 1.656 110.369 108.800 -0.145 0.000 3.565 270 G HA2 0.500 4.464 3.960 0.006 0.000 0.346 270 G HA3 0.500 4.464 3.960 0.006 0.000 0.346 270 G C -0.625 174.264 174.900 -0.018 0.000 1.363 270 G CA -0.269 44.786 45.100 -0.075 0.000 1.134 270 G HN 0.278 nan 8.290 nan 0.000 0.471 271 L N 0.215 121.424 121.223 -0.024 0.000 2.183 271 L HA 0.664 5.008 4.340 0.006 0.000 0.253 271 L C -0.431 176.560 176.870 0.201 0.000 1.048 271 L CA -1.296 53.603 54.840 0.099 0.000 0.890 271 L CB 1.920 44.062 42.059 0.138 0.000 1.476 271 L HN 0.125 nan 8.230 nan 0.000 0.455 272 L N 1.886 123.267 121.223 0.264 0.000 2.356 272 L HA 0.470 4.814 4.340 0.006 0.000 0.277 272 L C -2.505 174.512 176.870 0.244 0.000 0.996 272 L CA -1.670 53.267 54.840 0.162 0.000 0.822 272 L CB 1.924 43.934 42.059 -0.083 0.000 1.256 272 L HN 0.217 nan 8.230 nan 0.000 0.413 273 P HA 0.126 nan 4.420 nan 0.000 0.280 273 P C -0.145 177.304 177.300 0.248 0.000 1.300 273 P CA 0.007 63.055 63.100 -0.087 0.000 0.785 273 P CB 0.680 32.376 31.700 -0.006 0.000 0.874 274 H N 2.314 121.420 119.070 0.060 0.000 2.329 274 H HA 0.046 4.606 4.556 0.007 0.000 0.306 274 H C 0.731 175.858 175.328 -0.335 0.000 1.062 274 H CA 0.929 56.964 56.048 -0.022 0.000 1.364 274 H CB 0.471 30.230 29.762 -0.004 0.000 1.409 274 H HN 0.578 nan 8.280 nan 0.000 0.519 275 H N -1.113 118.033 119.070 0.127 0.000 2.754 275 H HA 0.480 5.039 4.556 0.006 0.000 0.352 275 H C -0.041 174.871 175.328 -0.694 0.000 1.213 275 H CA -0.600 55.246 56.048 -0.335 0.000 1.244 275 H CB 1.885 31.530 29.762 -0.195 0.000 1.843 275 H HN 0.265 nan 8.280 nan 0.000 0.587 276 G N 0.071 108.144 108.800 -1.212 0.000 2.687 276 G HA2 0.487 4.451 3.960 0.006 0.000 0.301 276 G HA3 0.487 4.451 3.960 0.006 0.000 0.301 276 G C -1.451 173.105 174.900 -0.572 0.000 1.416 276 G CA -0.363 44.074 45.100 -1.106 0.000 1.005 276 G HN 0.378 nan 8.290 nan 0.000 0.509 277 V N 2.877 122.653 119.914 -0.230 0.000 2.525 277 V HA 0.410 4.534 4.120 0.006 0.000 0.299 277 V C -0.725 175.370 176.094 0.001 0.000 1.034 277 V CA -0.815 61.439 62.300 -0.076 0.000 0.863 277 V CB 1.695 33.508 31.823 -0.016 0.000 0.999 277 V HN 0.729 nan 8.190 nan 0.000 0.423 278 L N 5.348 126.569 121.223 -0.004 0.000 2.260 278 L HA 0.822 5.166 4.340 0.006 0.000 0.289 278 L C 0.522 177.412 176.870 0.033 0.000 1.057 278 L CA 0.264 55.100 54.840 -0.006 0.000 0.811 278 L CB 0.746 42.812 42.059 0.011 0.000 1.184 278 L HN 0.793 nan 8.230 nan 0.000 0.429 279 A N 3.086 125.931 122.820 0.042 0.000 2.271 279 A HA 0.479 4.802 4.320 0.006 0.000 0.288 279 A C 1.180 178.770 177.584 0.010 0.000 1.094 279 A CA 0.185 52.259 52.037 0.062 0.000 0.828 279 A CB 0.414 19.520 19.000 0.176 0.000 1.091 279 A HN 0.957 nan 8.150 nan 0.000 0.493 280 S N 0.326 116.027 115.700 0.002 0.000 2.474 280 S HA -0.156 4.318 4.470 0.006 0.000 0.235 280 S C 0.979 175.566 174.600 -0.023 0.000 0.997 280 S CA 1.209 59.403 58.200 -0.010 0.000 0.949 280 S CB -0.535 62.653 63.200 -0.020 0.000 0.766 280 S HN 0.879 nan 8.310 nan 0.000 0.517 281 N N 1.250 119.931 118.700 -0.033 0.000 2.383 281 N HA 0.216 4.960 4.740 0.006 0.000 0.192 281 N C 1.197 176.653 175.510 -0.090 0.000 1.141 281 N CA 0.605 53.622 53.050 -0.056 0.000 0.851 281 N CB -0.554 37.898 38.487 -0.057 0.000 0.976 281 N HN 0.593 nan 8.380 nan 0.000 0.465 282 G N -0.372 108.374 108.800 -0.089 0.000 2.159 282 G HA2 -0.248 3.716 3.960 0.006 0.000 0.256 282 G HA3 -0.248 3.716 3.960 0.006 0.000 0.256 282 G C -0.191 174.573 174.900 -0.226 0.000 0.977 282 G CA 0.162 45.188 45.100 -0.124 0.000 0.652 282 G HN 0.241 nan 8.290 nan 0.000 0.531 283 M N 0.328 119.770 119.600 -0.264 0.000 2.146 283 M HA 0.457 4.940 4.480 0.006 0.000 0.352 283 M C 0.182 176.210 176.300 -0.453 0.000 1.343 283 M CA -0.894 54.132 55.300 -0.455 0.000 1.115 283 M CB 0.977 33.193 32.600 -0.640 0.000 1.657 283 M HN 0.214 nan 8.290 nan 0.000 0.471 284 L N 6.558 127.527 121.223 -0.422 0.000 2.259 284 L HA 0.355 4.698 4.340 0.006 0.000 0.288 284 L C -1.413 175.322 176.870 -0.226 0.000 1.051 284 L CA -0.094 54.578 54.840 -0.281 0.000 0.824 284 L CB -0.059 41.834 42.059 -0.276 0.000 1.206 284 L HN 0.394 nan 8.230 nan 0.000 0.429 285 Y N 5.617 125.896 120.300 -0.034 0.000 2.304 285 Y HA 0.569 5.123 4.550 0.006 0.000 0.328 285 Y C 0.156 176.081 175.900 0.042 0.000 1.123 285 Y CA -0.115 58.012 58.100 0.045 0.000 1.218 285 Y CB 0.961 39.437 38.460 0.026 0.000 1.207 285 Y HN 0.415 nan 8.280 nan 0.000 0.495 286 I N 2.599 123.367 120.570 0.330 0.000 2.534 286 I HA 0.276 4.449 4.170 0.006 0.000 0.288 286 I C -0.695 175.578 176.117 0.260 0.000 1.077 286 I CA -0.889 60.538 61.300 0.212 0.000 1.051 286 I CB 2.297 40.452 38.000 0.258 0.000 1.234 286 I HN 0.556 nan 8.210 nan 0.000 0.425 287 T N 1.752 116.394 114.554 0.147 0.000 2.882 287 T HA 0.648 5.002 4.350 0.006 0.000 0.287 287 T C -0.835 173.944 174.700 0.132 0.000 0.992 287 T CA -0.511 61.724 62.100 0.225 0.000 1.076 287 T CB 0.914 69.928 68.868 0.243 0.000 0.961 287 T HN 0.310 nan 8.240 nan 0.000 0.490 288 Y N 0.090 120.576 120.300 0.310 0.000 2.499 288 Y HA 0.692 5.246 4.550 0.006 0.000 0.347 288 Y C 0.644 176.665 175.900 0.201 0.000 0.987 288 Y CA -0.917 57.352 58.100 0.281 0.000 1.044 288 Y CB 2.831 41.442 38.460 0.250 0.000 1.245 288 Y HN 1.156 nan 8.280 nan 0.000 0.461 289 G N 0.126 109.137 108.800 0.352 0.000 2.660 289 G HA2 0.298 4.261 3.960 0.006 0.000 0.294 289 G HA3 0.298 4.261 3.960 0.006 0.000 0.294 289 G C -0.649 174.392 174.900 0.235 0.000 1.369 289 G CA -0.816 44.415 45.100 0.219 0.000 0.912 289 G HN 0.631 nan 8.290 nan 0.000 0.479 290 D N -1.101 119.418 120.400 0.198 0.000 2.363 290 D HA 0.017 4.661 4.640 0.006 0.000 0.220 290 D C 1.084 177.477 176.300 0.154 0.000 0.994 290 D CA 0.962 55.063 54.000 0.167 0.000 0.890 290 D CB 0.032 40.939 40.800 0.179 0.000 0.906 290 D HN 0.515 nan 8.370 nan 0.000 0.530 291 T N -3.109 111.569 114.554 0.207 0.000 2.864 291 T HA 0.387 4.740 4.350 0.006 0.000 0.289 291 T C 1.230 176.087 174.700 0.262 0.000 1.082 291 T CA -0.294 61.973 62.100 0.278 0.000 1.009 291 T CB 1.288 70.434 68.868 0.462 0.000 1.234 291 T HN 0.171 nan 8.240 nan 0.000 0.526 292 C N -0.377 119.079 119.300 0.261 0.000 2.594 292 C HA 0.669 5.132 4.460 0.006 0.000 0.265 292 C C 1.695 176.780 174.990 0.158 0.000 1.351 292 C CA 0.051 59.128 59.018 0.097 0.000 1.744 292 C CB -1.841 25.968 27.740 0.116 0.000 1.890 292 C HN 1.748 nan 8.230 nan 0.000 0.551 293 G N 1.884 110.809 108.800 0.209 0.000 2.741 293 G HA2 -0.111 3.852 3.960 0.006 0.000 0.222 293 G HA3 -0.111 3.852 3.960 0.006 0.000 0.222 293 G C -1.764 173.122 174.900 -0.022 0.000 1.364 293 G CA 0.093 45.274 45.100 0.135 0.000 0.866 293 G HN 0.264 nan 8.290 nan 0.000 0.555 294 P HA 0.177 nan 4.420 nan 0.000 0.261 294 P C 0.683 177.841 177.300 -0.236 0.000 1.268 294 P CA 0.927 63.880 63.100 -0.244 0.000 0.833 294 P CB 0.036 31.410 31.700 -0.543 0.000 1.231 295 Y N 0.219 120.630 120.300 0.184 0.000 2.462 295 Y HA 0.150 4.703 4.550 0.006 0.000 0.261 295 Y C 0.580 176.775 175.900 0.491 0.000 1.146 295 Y CA -0.608 57.711 58.100 0.366 0.000 1.283 295 Y CB -0.339 38.296 38.460 0.291 0.000 1.090 295 Y HN -0.062 nan 8.280 nan 0.000 0.526 296 D N 0.236 120.922 120.400 0.475 0.000 2.399 296 D HA 0.350 4.994 4.640 0.006 0.000 0.241 296 D C 0.548 177.131 176.300 0.473 0.000 1.133 296 D CA 0.698 54.975 54.000 0.461 0.000 0.890 296 D CB 0.934 41.972 40.800 0.397 0.000 1.201 296 D HN 0.304 nan 8.370 nan 0.000 0.432 297 G N 0.226 109.304 108.800 0.463 0.000 2.658 297 G HA2 0.327 4.291 3.960 0.006 0.000 0.292 297 G HA3 0.327 4.291 3.960 0.006 0.000 0.292 297 G C -0.417 174.662 174.900 0.298 0.000 1.320 297 G CA -0.942 44.425 45.100 0.446 0.000 0.933 297 G HN 0.732 nan 8.290 nan 0.000 0.476 298 N N -0.425 118.432 118.700 0.263 0.000 2.689 298 N HA -0.106 4.637 4.740 0.006 0.000 0.263 298 N C 0.336 175.921 175.510 0.124 0.000 0.987 298 N CA 1.270 54.419 53.050 0.165 0.000 0.782 298 N CB -0.902 37.671 38.487 0.145 0.000 0.903 298 N HN 2.181 nan 8.380 nan 0.000 0.547 299 G N 0.593 109.464 108.800 0.118 0.000 3.353 299 G HA2 -0.048 3.916 3.960 0.006 0.000 0.682 299 G HA3 -0.048 3.916 3.960 0.006 0.000 0.682 299 G C -1.332 173.569 174.900 0.002 0.000 1.192 299 G CA -0.571 44.586 45.100 0.096 0.000 1.111 299 G HN 0.334 nan 8.290 nan 0.000 0.493 300 K N 0.167 120.593 120.400 0.042 0.000 2.469 300 K HA 0.942 5.266 4.320 0.006 0.000 0.254 300 K C 0.251 176.936 176.600 0.141 0.000 0.939 300 K CA -0.071 56.244 56.287 0.048 0.000 0.812 300 K CB 2.440 35.022 32.500 0.138 0.000 1.301 300 K HN 1.517 nan 8.250 nan 0.000 0.433 301 G N 0.676 109.600 108.800 0.207 0.000 2.704 301 G HA2 0.625 4.589 3.960 0.006 0.000 0.293 301 G HA3 0.625 4.589 3.960 0.006 0.000 0.293 301 G C -1.538 173.659 174.900 0.494 0.000 1.421 301 G CA -0.432 44.869 45.100 0.335 0.000 0.870 301 G HN 0.329 nan 8.290 nan 0.000 0.492 302 Q N -1.072 119.018 119.800 0.484 0.000 2.456 302 Q HA 0.687 5.031 4.340 0.006 0.000 0.284 302 Q C -1.414 174.783 176.000 0.330 0.000 1.061 302 Q CA -0.980 55.006 55.803 0.304 0.000 0.799 302 Q CB 3.439 32.317 28.738 0.234 0.000 1.445 302 Q HN 0.424 nan 8.270 nan 0.000 0.411 303 V N 0.697 120.630 119.914 0.031 0.000 2.686 303 V HA 0.545 4.669 4.120 0.006 0.000 0.306 303 V C -1.492 174.646 176.094 0.073 0.000 1.065 303 V CA -0.768 61.605 62.300 0.121 0.000 0.894 303 V CB 1.277 32.981 31.823 -0.198 0.000 1.004 303 V HN 0.680 nan 8.190 nan 0.000 0.424 304 W N 2.932 124.445 121.300 0.354 0.000 2.882 304 W HA 0.736 5.401 4.660 0.008 0.000 0.345 304 W C -0.296 176.415 176.519 0.320 0.000 1.125 304 W CA -0.833 56.738 57.345 0.377 0.000 1.167 304 W CB 1.966 31.773 29.460 0.580 0.000 1.431 304 W HN 0.501 nan 8.180 nan 0.000 0.543 305 K N 1.706 122.360 120.400 0.423 0.000 2.376 305 K HA 0.647 4.971 4.320 0.006 0.000 0.257 305 K C -1.529 175.083 176.600 0.020 0.000 0.939 305 K CA -0.727 55.595 56.287 0.058 0.000 0.809 305 K CB 2.046 34.382 32.500 -0.274 0.000 1.121 305 K HN 0.357 nan 8.250 nan 0.000 0.425 306 F N 3.313 122.996 119.950 -0.445 0.000 2.404 306 F HA 0.294 4.825 4.527 0.006 0.000 0.354 306 F C -0.346 175.116 175.800 -0.564 0.000 1.122 306 F CA -1.095 56.395 58.000 -0.850 0.000 1.080 306 F CB 1.123 39.199 39.000 -1.540 0.000 1.131 306 F HN 0.654 nan 8.300 nan 0.000 0.471 307 N N 4.069 122.122 118.700 -1.078 0.000 2.415 307 N HA 0.007 4.750 4.740 0.006 0.000 0.250 307 N C 1.112 175.915 175.510 -1.178 0.000 1.127 307 N CA 0.537 53.072 53.050 -0.858 0.000 0.945 307 N CB 0.956 39.142 38.487 -0.502 0.000 1.196 307 N HN 0.830 nan 8.380 nan 0.000 0.499 308 T N 0.870 114.908 114.554 -0.859 0.000 3.007 308 T HA -0.001 4.353 4.350 0.006 0.000 0.270 308 T C 1.258 175.791 174.700 -0.278 0.000 1.107 308 T CA 0.855 62.642 62.100 -0.522 0.000 1.118 308 T CB 0.051 68.850 68.868 -0.115 0.000 0.889 308 T HN 0.408 nan 8.240 nan 0.000 0.506 309 R N 0.775 121.104 120.500 -0.285 0.000 2.317 309 R HA 0.165 4.508 4.340 0.006 0.000 0.208 309 R C 1.824 178.028 176.300 -0.160 0.000 0.914 309 R CA 1.132 57.132 56.100 -0.167 0.000 1.060 309 R CB 0.223 30.441 30.300 -0.136 0.000 1.015 309 R HN 0.725 nan 8.270 nan 0.000 0.498 310 T N -6.400 108.016 114.554 -0.231 0.000 3.074 310 T HA 0.162 4.516 4.350 0.006 0.000 0.258 310 T C 1.258 175.877 174.700 -0.134 0.000 0.891 310 T CA 0.566 62.572 62.100 -0.157 0.000 0.867 310 T CB 0.965 69.747 68.868 -0.144 0.000 1.261 310 T HN 0.195 nan 8.240 nan 0.000 0.537 311 G N 1.522 110.161 108.800 -0.269 0.000 2.176 311 G HA2 -0.244 3.719 3.960 0.006 0.000 0.253 311 G HA3 -0.244 3.719 3.960 0.006 0.000 0.253 311 G C -0.182 174.748 174.900 0.051 0.000 0.979 311 G CA 0.319 45.397 45.100 -0.037 0.000 0.641 311 G HN 0.902 nan 8.290 nan 0.000 0.530 312 E N -0.309 119.809 120.200 -0.137 0.000 2.313 312 E HA 0.431 4.785 4.350 0.006 0.000 0.276 312 E C -0.494 176.122 176.600 0.026 0.000 1.031 312 E CA -0.970 55.445 56.400 0.025 0.000 0.857 312 E CB 0.408 30.102 29.700 -0.010 0.000 1.040 312 E HN 0.296 nan 8.360 nan 0.000 0.408 313 W N 4.888 126.336 121.300 0.246 0.000 2.391 313 W HA 0.432 5.095 4.660 0.005 0.000 0.311 313 W C -0.404 176.361 176.519 0.410 0.000 1.087 313 W CA -0.365 57.206 57.345 0.375 0.000 1.209 313 W CB 0.859 30.488 29.460 0.281 0.000 1.273 313 W HN 0.351 nan 8.180 nan 0.000 0.482 314 I N 3.308 124.236 120.570 0.597 0.000 2.436 314 I HA 0.090 4.264 4.170 0.006 0.000 0.289 314 I C -0.320 175.805 176.117 0.013 0.000 1.010 314 I CA -0.993 60.476 61.300 0.281 0.000 1.098 314 I CB 1.532 39.589 38.000 0.095 0.000 1.266 314 I HN 0.213 nan 8.210 nan 0.000 0.434 315 D N 7.450 127.512 120.400 -0.564 0.000 2.339 315 D HA 0.195 4.838 4.640 0.006 0.000 0.256 315 D C 0.407 176.405 176.300 -0.503 0.000 1.214 315 D CA 0.065 53.338 54.000 -1.210 0.000 0.877 315 D CB 0.859 40.938 40.800 -1.202 0.000 1.111 315 D HN 0.535 nan 8.370 nan 0.000 0.478 316 I N 0.409 120.757 120.570 -0.371 0.000 3.707 316 I HA 0.227 4.401 4.170 0.006 0.000 0.330 316 I C -0.067 176.004 176.117 -0.076 0.000 1.572 316 I CA -0.675 60.599 61.300 -0.043 0.000 1.104 316 I CB 0.282 38.389 38.000 0.178 0.000 1.240 316 I HN -0.042 nan 8.210 nan 0.000 0.475 317 T N 3.919 118.267 114.554 -0.345 0.000 2.831 317 T HA 0.089 4.443 4.350 0.006 0.000 0.291 317 T C -1.441 172.882 174.700 -0.629 0.000 0.981 317 T CA -0.317 61.467 62.100 -0.527 0.000 1.174 317 T CB 0.662 69.329 68.868 -0.335 0.000 0.929 317 T HN 0.200 nan 8.240 nan 0.000 0.532 318 P HA 0.034 nan 4.420 nan 0.000 0.216 318 P C 0.121 176.988 177.300 -0.721 0.000 1.150 318 P CA 0.974 63.222 63.100 -1.419 0.000 0.837 318 P CB 0.144 30.354 31.700 -2.483 0.000 0.786 319 I N -0.526 119.768 120.570 -0.461 0.000 2.389 319 I HA 0.298 4.472 4.170 0.006 0.000 0.288 319 I C -2.461 173.592 176.117 -0.108 0.000 0.999 319 I CA -3.164 58.028 61.300 -0.180 0.000 1.129 319 I CB 1.878 39.828 38.000 -0.083 0.000 1.288 319 I HN -0.335 nan 8.210 nan 0.000 0.444 320 P HA -0.126 nan 4.420 nan 0.000 0.262 320 P C 0.241 177.547 177.300 0.011 0.000 1.182 320 P CA 0.274 63.353 63.100 -0.034 0.000 0.761 320 P CB 0.293 31.978 31.700 -0.025 0.000 0.795 321 Y N 4.005 124.263 120.300 -0.071 0.000 2.207 321 Y HA -0.277 4.276 4.550 0.006 0.000 0.287 321 Y C 2.124 178.001 175.900 -0.039 0.000 1.156 321 Y CA 2.401 60.476 58.100 -0.042 0.000 1.182 321 Y CB -0.505 37.948 38.460 -0.011 0.000 0.979 321 Y HN 0.377 nan 8.280 nan 0.000 0.521 322 S N -1.135 114.554 115.700 -0.018 0.000 2.507 322 S HA -0.057 4.417 4.470 0.006 0.000 0.235 322 S C 1.188 175.716 174.600 -0.120 0.000 0.988 322 S CA 0.355 58.499 58.200 -0.093 0.000 0.944 322 S CB -0.641 62.560 63.200 0.001 0.000 0.762 322 S HN 0.346 nan 8.310 nan 0.000 0.526 323 S N 1.614 117.249 115.700 -0.107 0.000 2.562 323 S HA 0.364 4.837 4.470 0.006 0.000 0.275 323 S C 1.270 175.796 174.600 -0.124 0.000 1.281 323 S CA -0.131 58.015 58.200 -0.089 0.000 1.045 323 S CB 1.151 64.317 63.200 -0.056 0.000 0.962 323 S HN 0.507 nan 8.310 nan 0.000 0.503 324 S N 2.716 118.362 115.700 -0.090 0.000 2.515 324 S HA -0.052 4.422 4.470 0.006 0.000 0.231 324 S C 0.826 175.383 174.600 -0.072 0.000 0.987 324 S CA 0.700 58.847 58.200 -0.087 0.000 0.936 324 S CB -0.315 62.852 63.200 -0.054 0.000 0.766 324 S HN 0.779 nan 8.310 nan 0.000 0.528 325 D N 2.018 122.386 120.400 -0.053 0.000 2.269 325 D HA -0.010 4.634 4.640 0.006 0.000 0.208 325 D C 0.549 176.734 176.300 -0.191 0.000 0.963 325 D CA 0.441 54.421 54.000 -0.034 0.000 0.864 325 D CB -0.555 40.265 40.800 0.033 0.000 0.936 325 D HN 0.432 nan 8.370 nan 0.000 0.505 326 N N 1.614 120.163 118.700 -0.251 0.000 2.400 326 N HA -0.041 4.703 4.740 0.006 0.000 0.267 326 N C 0.234 175.452 175.510 -0.486 0.000 1.208 326 N CA 0.141 52.934 53.050 -0.428 0.000 0.951 326 N CB 0.156 38.497 38.487 -0.243 0.000 1.227 326 N HN 0.244 nan 8.380 nan 0.000 0.488 327 R N 2.463 122.473 120.500 -0.817 0.000 2.615 327 R HA 0.205 4.549 4.340 0.006 0.000 0.448 327 R C -0.949 175.209 176.300 -0.238 0.000 1.009 327 R CA -0.452 55.412 56.100 -0.394 0.000 1.111 327 R CB -0.351 29.886 30.300 -0.105 0.000 1.461 327 R HN 0.208 nan 8.270 nan 0.000 0.587 328 F N -2.189 117.689 119.950 -0.120 0.000 2.688 328 F HA 0.464 4.995 4.527 0.006 0.000 0.308 328 F C -0.453 175.201 175.800 -0.243 0.000 1.117 328 F CA -2.147 55.761 58.000 -0.152 0.000 0.976 328 F CB 0.082 38.963 39.000 -0.197 0.000 1.291 328 F HN -0.202 nan 8.300 nan 0.000 0.439 329 C N 2.078 121.423 119.300 0.075 0.000 2.502 329 C HA 0.120 4.584 4.460 0.006 0.000 0.404 329 C C 0.192 175.103 174.990 -0.131 0.000 1.409 329 C CA 0.070 59.084 59.018 -0.005 0.000 1.648 329 C CB -1.518 26.193 27.740 -0.049 0.000 2.571 329 C HN 0.510 nan 8.230 nan 0.000 0.601 330 F N 1.782 121.789 119.950 0.095 0.000 2.410 330 F HA 0.500 5.030 4.527 0.006 0.000 0.348 330 F C 0.829 176.564 175.800 -0.107 0.000 1.106 330 F CA 0.370 58.398 58.000 0.047 0.000 1.163 330 F CB 0.708 39.747 39.000 0.064 0.000 1.129 330 F HN 0.787 nan 8.300 nan 0.000 0.516 331 A N 2.677 125.555 122.820 0.097 0.000 1.845 331 A HA 0.546 4.870 4.320 0.006 0.000 0.188 331 A C 1.159 178.918 177.584 0.291 0.000 2.173 331 A CA 0.340 52.403 52.037 0.044 0.000 1.255 331 A CB -1.010 17.994 19.000 0.007 0.000 0.999 331 A HN 0.783 nan 8.150 nan 0.000 0.634 332 G N 0.072 109.011 108.800 0.231 0.000 2.321 332 G HA2 0.411 4.375 3.960 0.006 0.000 0.237 332 G HA3 0.411 4.375 3.960 0.006 0.000 0.237 332 G C -0.722 174.249 174.900 0.119 0.000 1.282 332 G CA 0.531 45.729 45.100 0.164 0.000 0.886 332 G HN 0.943 nan 8.290 nan 0.000 0.528 333 L N 2.328 123.540 121.223 -0.018 0.000 2.439 333 L HA 0.781 5.125 4.340 0.006 0.000 0.270 333 L C -0.190 176.626 176.870 -0.089 0.000 0.972 333 L CA -0.721 54.110 54.840 -0.016 0.000 0.836 333 L CB 1.671 43.744 42.059 0.023 0.000 1.255 333 L HN 0.831 nan 8.230 nan 0.000 0.404 334 A N 4.483 127.269 122.820 -0.056 0.000 2.386 334 A HA 0.910 5.234 4.320 0.006 0.000 0.311 334 A C -1.542 175.962 177.584 -0.134 0.000 1.068 334 A CA -0.568 51.421 52.037 -0.080 0.000 0.743 334 A CB 1.928 20.904 19.000 -0.040 0.000 1.258 334 A HN 0.540 nan 8.150 nan 0.000 0.429 335 V N 2.045 121.870 119.914 -0.148 0.000 2.588 335 V HA 0.288 4.412 4.120 0.006 0.000 0.304 335 V C -0.666 175.334 176.094 -0.158 0.000 1.042 335 V CA -0.781 61.403 62.300 -0.193 0.000 0.877 335 V CB 1.900 33.627 31.823 -0.160 0.000 0.996 335 V HN 0.958 nan 8.190 nan 0.000 0.425 336 D N 3.443 123.744 120.400 -0.165 0.000 2.358 336 D HA 0.058 4.702 4.640 0.006 0.000 0.258 336 D C 1.224 177.437 176.300 -0.144 0.000 1.223 336 D CA 0.118 54.024 54.000 -0.156 0.000 0.886 336 D CB 0.867 41.581 40.800 -0.144 0.000 1.120 336 D HN 0.549 nan 8.370 nan 0.000 0.482 337 R N 3.032 123.428 120.500 -0.173 0.000 2.152 337 R HA -0.152 4.192 4.340 0.006 0.000 0.232 337 R C 1.225 177.438 176.300 -0.144 0.000 1.117 337 R CA 1.291 57.290 56.100 -0.168 0.000 0.981 337 R CB 0.251 30.402 30.300 -0.249 0.000 0.870 337 R HN 0.583 nan 8.270 nan 0.000 0.451 338 Q N -0.764 118.951 119.800 -0.142 0.000 2.392 338 Q HA 0.064 4.408 4.340 0.006 0.000 0.203 338 Q C -0.291 175.658 176.000 -0.085 0.000 0.917 338 Q CA 0.068 55.807 55.803 -0.107 0.000 0.939 338 Q CB 0.524 29.203 28.738 -0.099 0.000 1.063 338 Q HN 0.052 nan 8.270 nan 0.000 0.516 339 N N 0.103 118.748 118.700 -0.092 0.000 2.629 339 N HA 0.102 4.845 4.740 0.006 0.000 0.277 339 N C -2.506 172.952 175.510 -0.087 0.000 1.188 339 N CA -1.606 51.393 53.050 -0.085 0.000 0.835 339 N CB 1.549 39.980 38.487 -0.093 0.000 1.420 339 N HN -0.226 nan 8.380 nan 0.000 0.542 340 P HA 0.026 nan 4.420 nan 0.000 0.230 340 P C 0.059 177.357 177.300 -0.002 0.000 1.158 340 P CA 0.776 63.869 63.100 -0.011 0.000 0.769 340 P CB 0.597 32.307 31.700 0.017 0.000 0.807 341 D N -0.344 120.017 120.400 -0.064 0.000 2.349 341 D HA 0.111 4.754 4.640 0.006 0.000 0.215 341 D C 0.875 177.047 176.300 -0.214 0.000 1.016 341 D CA 0.287 54.224 54.000 -0.105 0.000 0.870 341 D CB 0.150 40.883 40.800 -0.111 0.000 0.917 341 D HN 0.289 nan 8.370 nan 0.000 0.524 342 I N 2.667 123.109 120.570 -0.213 0.000 2.312 342 I HA 0.244 4.418 4.170 0.006 0.000 0.291 342 I C 0.204 176.141 176.117 -0.301 0.000 1.031 342 I CA -0.423 60.723 61.300 -0.256 0.000 1.293 342 I CB 0.647 38.528 38.000 -0.197 0.000 1.403 342 I HN -0.165 nan 8.210 nan 0.000 0.484 343 I N 3.512 123.864 120.570 -0.363 0.000 2.865 343 I HA 0.676 4.849 4.170 0.006 0.000 0.302 343 I C -1.226 174.819 176.117 -0.120 0.000 1.140 343 I CA -0.965 60.132 61.300 -0.338 0.000 1.021 343 I CB 2.527 40.181 38.000 -0.577 0.000 1.233 343 I HN 0.451 nan 8.210 nan 0.000 0.427 344 M N 5.030 124.642 119.600 0.020 0.000 2.518 344 M HA 0.727 5.210 4.480 0.006 0.000 0.300 344 M C -0.939 175.482 176.300 0.203 0.000 1.175 344 M CA -0.950 54.464 55.300 0.190 0.000 0.890 344 M CB 2.916 35.586 32.600 0.117 0.000 1.710 344 M HN 0.616 nan 8.290 nan 0.000 0.453 345 V N -1.084 118.982 119.914 0.252 0.000 3.078 345 V HA 0.988 5.112 4.120 0.006 0.000 0.311 345 V C -0.629 175.604 176.094 0.233 0.000 1.138 345 V CA -0.585 61.819 62.300 0.174 0.000 1.007 345 V CB 1.826 33.659 31.823 0.017 0.000 1.045 345 V HN 0.956 nan 8.190 nan 0.000 0.432 346 T N -0.418 114.270 114.554 0.223 0.000 2.907 346 T HA 0.733 5.087 4.350 0.006 0.000 0.292 346 T C 0.028 174.790 174.700 0.104 0.000 1.043 346 T CA 0.005 62.183 62.100 0.130 0.000 1.003 346 T CB 1.503 70.364 68.868 -0.010 0.000 1.084 346 T HN 1.777 nan 8.240 nan 0.000 0.483 347 S N 2.193 117.819 115.700 -0.124 0.000 2.592 347 S HA 0.587 5.061 4.470 0.006 0.000 0.271 347 S C -0.096 174.315 174.600 -0.315 0.000 1.326 347 S CA -0.942 56.971 58.200 -0.479 0.000 1.024 347 S CB 0.458 62.956 63.200 -1.169 0.000 0.921 347 S HN 1.035 nan 8.310 nan 0.000 0.527 348 M N 2.699 122.147 119.600 -0.253 0.000 2.210 348 M HA 0.386 4.869 4.480 0.006 0.000 0.235 348 M C -2.272 173.983 176.300 -0.074 0.000 0.974 348 M CA -0.277 54.915 55.300 -0.180 0.000 1.043 348 M CB 0.404 32.953 32.600 -0.084 0.000 2.331 348 M HN 0.887 nan 8.290 nan 0.000 0.452 349 N N 1.857 120.488 118.700 -0.115 0.000 2.225 349 N HA 0.657 5.401 4.740 0.006 0.000 0.298 349 N C 0.370 175.776 175.510 -0.174 0.000 1.076 349 N CA -0.413 52.386 53.050 -0.419 0.000 0.792 349 N CB 2.093 39.875 38.487 -1.175 0.000 1.498 349 N HN 0.578 nan 8.380 nan 0.000 0.474 350 A N 1.023 123.726 122.820 -0.195 0.000 1.929 350 A HA -0.018 4.306 4.320 0.006 0.000 0.216 350 A C 0.592 178.403 177.584 0.379 0.000 1.176 350 A CA 1.091 53.252 52.037 0.206 0.000 0.628 350 A CB -0.886 18.283 19.000 0.282 0.000 0.816 350 A HN 1.047 nan 8.150 nan 0.000 0.444 351 W N -4.463 116.966 121.300 0.214 0.000 0.884 351 W HA -0.272 4.391 4.660 0.006 0.000 0.219 351 W C 0.531 177.192 176.519 0.237 0.000 0.924 351 W CA 1.277 58.735 57.345 0.188 0.000 0.352 351 W CB -1.183 28.377 29.460 0.166 0.000 1.918 351 W HN 0.552 nan 8.180 nan 0.000 1.397 352 W N 2.728 124.231 121.300 0.338 0.000 2.998 352 W HA 0.499 5.162 4.660 0.005 0.000 0.335 352 W C -1.902 174.789 176.519 0.286 0.000 1.110 352 W CA -1.681 55.807 57.345 0.238 0.000 1.230 352 W CB 1.218 30.813 29.460 0.225 0.000 1.405 352 W HN -0.387 nan 8.180 nan 0.000 0.493 353 P HA 0.049 nan 4.420 nan 0.000 0.227 353 P C -0.381 176.581 177.300 -0.565 0.000 1.161 353 P CA 1.308 63.732 63.100 -1.127 0.000 0.788 353 P CB 0.882 31.744 31.700 -1.396 0.000 0.822 354 D N -1.914 118.247 120.400 -0.399 0.000 2.738 354 D HA 0.145 4.789 4.640 0.006 0.000 0.308 354 D C -0.846 175.385 176.300 -0.114 0.000 1.311 354 D CA -0.400 53.442 54.000 -0.263 0.000 0.799 354 D CB 0.948 41.458 40.800 -0.483 0.000 1.332 354 D HN -0.326 nan 8.370 nan 0.000 0.441 355 E N 0.026 120.178 120.200 -0.080 0.000 2.369 355 E HA 0.253 4.607 4.350 0.006 0.000 0.255 355 E C -0.576 175.981 176.600 -0.072 0.000 1.172 355 E CA 0.062 56.419 56.400 -0.072 0.000 0.932 355 E CB 0.292 29.909 29.700 -0.138 0.000 1.040 355 E HN 0.329 nan 8.360 nan 0.000 0.454 356 Y N -0.019 120.132 120.300 -0.249 0.000 2.330 356 Y HA 0.417 4.971 4.550 0.006 0.000 0.336 356 Y C 0.275 175.959 175.900 -0.361 0.000 1.036 356 Y CA -0.568 57.299 58.100 -0.387 0.000 1.125 356 Y CB 1.088 39.282 38.460 -0.444 0.000 1.194 356 Y HN 0.165 nan 8.280 nan 0.000 0.469 357 I N 4.627 125.019 120.570 -0.298 0.000 2.448 357 I HA 0.250 4.423 4.170 0.006 0.000 0.281 357 I C -1.212 174.890 176.117 -0.025 0.000 1.027 357 I CA -0.412 60.811 61.300 -0.129 0.000 1.111 357 I CB 0.714 38.605 38.000 -0.181 0.000 1.236 357 I HN 0.414 nan 8.210 nan 0.000 0.452 358 F N 5.232 125.307 119.950 0.208 0.000 2.404 358 F HA 0.576 5.106 4.527 0.006 0.000 0.339 358 F C 0.516 176.530 175.800 0.358 0.000 1.105 358 F CA -0.435 57.729 58.000 0.274 0.000 1.087 358 F CB 1.324 40.350 39.000 0.044 0.000 1.143 358 F HN 0.355 nan 8.300 nan 0.000 0.491 359 R N 1.641 122.381 120.500 0.399 0.000 2.621 359 R HA 0.649 4.993 4.340 0.006 0.000 0.292 359 R C -1.275 174.921 176.300 -0.174 0.000 0.969 359 R CA -0.473 55.603 56.100 -0.039 0.000 0.887 359 R CB 1.851 31.696 30.300 -0.758 0.000 1.180 359 R HN 0.691 nan 8.270 nan 0.000 0.450 360 S N 0.794 116.211 115.700 -0.473 0.000 2.526 360 S HA 0.311 4.784 4.470 0.006 0.000 0.293 360 S C 0.241 174.530 174.600 -0.518 0.000 1.092 360 S CA -0.492 57.274 58.200 -0.723 0.000 0.980 360 S CB 1.662 63.986 63.200 -1.459 0.000 1.048 360 S HN 0.721 nan 8.310 nan 0.000 0.483 361 T N -0.334 113.968 114.554 -0.419 0.000 3.084 361 T HA 0.252 4.606 4.350 0.006 0.000 0.270 361 T C -0.139 174.404 174.700 -0.262 0.000 1.008 361 T CA -0.000 61.915 62.100 -0.308 0.000 0.900 361 T CB -0.298 68.418 68.868 -0.253 0.000 1.084 361 T HN 0.613 nan 8.240 nan 0.000 0.538 362 D N 0.355 120.571 120.400 -0.306 0.000 2.804 362 D HA 0.368 5.011 4.640 0.006 0.000 0.308 362 D C 1.246 177.405 176.300 -0.235 0.000 1.371 362 D CA -0.458 53.401 54.000 -0.234 0.000 0.823 362 D CB -0.259 40.420 40.800 -0.202 0.000 1.126 362 D HN 0.319 nan 8.370 nan 0.000 0.467 363 G N -0.124 108.526 108.800 -0.251 0.000 2.198 363 G HA2 -0.012 3.952 3.960 0.006 0.000 0.260 363 G HA3 -0.012 3.952 3.960 0.006 0.000 0.260 363 G C 1.177 175.977 174.900 -0.167 0.000 1.025 363 G CA 0.378 45.403 45.100 -0.125 0.000 0.769 363 G HN 1.491 nan 8.290 nan 0.000 0.507 364 G N -1.893 106.596 108.800 -0.520 0.000 2.176 364 G HA2 0.093 4.057 3.960 0.006 0.000 0.253 364 G HA3 0.093 4.057 3.960 0.006 0.000 0.253 364 G C 1.589 176.277 174.900 -0.353 0.000 0.979 364 G CA 1.217 45.937 45.100 -0.634 0.000 0.641 364 G HN 2.047 nan 8.290 nan 0.000 0.530 365 A N -1.109 121.535 122.820 -0.293 0.000 1.902 365 A HA 0.417 4.741 4.320 0.006 0.000 0.217 365 A C 1.468 178.957 177.584 -0.158 0.000 1.181 365 A CA 2.686 54.623 52.037 -0.167 0.000 0.623 365 A CB -0.068 18.848 19.000 -0.140 0.000 0.818 365 A HN 1.426 nan 8.150 nan 0.000 0.443 366 T N -2.501 111.879 114.554 -0.290 0.000 2.903 366 T HA 0.532 4.886 4.350 0.006 0.000 0.299 366 T C -2.056 172.432 174.700 -0.354 0.000 1.093 366 T CA -0.542 61.451 62.100 -0.177 0.000 1.002 366 T CB 0.725 69.531 68.868 -0.104 0.000 1.127 366 T HN 0.340 nan 8.240 nan 0.000 0.488 367 W N 1.746 122.998 121.300 -0.079 0.000 2.962 367 W HA 0.694 5.356 4.660 0.004 0.000 0.341 367 W C -0.350 176.211 176.519 0.069 0.000 1.155 367 W CA -0.817 56.506 57.345 -0.037 0.000 1.165 367 W CB 1.580 30.988 29.460 -0.086 0.000 1.435 367 W HN 0.305 nan 8.180 nan 0.000 0.546 368 K N 1.913 122.539 120.400 0.377 0.000 2.426 368 K HA 0.278 4.602 4.320 0.006 0.000 0.254 368 K C -0.845 176.033 176.600 0.463 0.000 0.936 368 K CA -1.002 55.474 56.287 0.314 0.000 0.801 368 K CB 1.998 34.528 32.500 0.049 0.000 1.139 368 K HN 0.381 nan 8.250 nan 0.000 0.424 369 N N 2.012 120.893 118.700 0.302 0.000 2.513 369 N HA 0.132 4.876 4.740 0.006 0.000 0.274 369 N C 0.767 176.380 175.510 0.171 0.000 1.189 369 N CA -0.053 52.903 53.050 -0.156 0.000 0.975 369 N CB 0.758 38.808 38.487 -0.728 0.000 1.157 369 N HN 0.635 nan 8.380 nan 0.000 0.465 370 I N 1.281 121.832 120.570 -0.032 0.000 3.176 370 I HA 0.046 4.220 4.170 0.006 0.000 0.275 370 I C -0.267 175.896 176.117 0.077 0.000 1.298 370 I CA 0.178 61.364 61.300 -0.191 0.000 1.445 370 I CB -0.046 37.669 38.000 -0.475 0.000 1.075 370 I HN 0.490 nan 8.210 nan 0.000 0.482 371 W N 0.516 121.760 121.300 -0.093 0.000 3.029 371 W HA 0.645 5.309 4.660 0.007 0.000 0.339 371 W C -1.344 175.059 176.519 -0.194 0.000 1.198 371 W CA -0.841 56.361 57.345 -0.238 0.000 1.148 371 W CB 0.603 29.866 29.460 -0.328 0.000 1.451 371 W HN -0.240 nan 8.180 nan 0.000 0.564 372 E N 0.054 120.306 120.200 0.087 0.000 2.367 372 E HA 0.263 4.617 4.350 0.006 0.000 0.273 372 E C -1.639 175.086 176.600 0.209 0.000 0.903 372 E CA -0.830 55.618 56.400 0.080 0.000 0.764 372 E CB 2.477 32.271 29.700 0.157 0.000 1.252 372 E HN 0.356 nan 8.360 nan 0.000 0.446 373 W N 1.065 122.565 121.300 0.335 0.000 2.253 373 W HA 0.313 4.977 4.660 0.006 0.000 0.322 373 W C 0.939 177.563 176.519 0.175 0.000 1.342 373 W CA -0.069 57.448 57.345 0.286 0.000 1.218 373 W CB 0.733 30.374 29.460 0.303 0.000 1.205 373 W HN 0.644 nan 8.180 nan 0.000 0.551 374 G N 3.411 112.440 108.800 0.382 0.000 3.227 374 G HA2 0.331 4.295 3.960 0.006 0.000 0.171 374 G HA3 0.331 4.295 3.960 0.006 0.000 0.171 374 G C -0.047 175.011 174.900 0.264 0.000 1.463 374 G CA -0.838 44.409 45.100 0.245 0.000 1.016 374 G HN 0.369 nan 8.290 nan 0.000 0.594 375 M N 0.996 120.704 119.600 0.181 0.000 2.821 375 M HA 0.310 4.793 4.480 0.006 0.000 0.305 375 M C -0.713 175.708 176.300 0.203 0.000 1.466 375 M CA -1.443 53.958 55.300 0.169 0.000 1.526 375 M CB -1.179 31.485 32.600 0.107 0.000 1.321 375 M HN 0.340 nan 8.290 nan 0.000 0.492 376 Y N 5.630 126.014 120.300 0.141 0.000 2.996 376 Y HA -0.065 4.489 4.550 0.006 0.000 0.347 376 Y C -1.084 174.879 175.900 0.106 0.000 1.276 376 Y CA 0.258 58.445 58.100 0.145 0.000 1.601 376 Y CB -0.010 38.482 38.460 0.054 0.000 1.193 376 Y HN 0.602 nan 8.280 nan 0.000 0.582 377 P HA -0.259 nan 4.420 nan 0.000 0.222 377 P C -0.490 176.594 177.300 -0.361 0.000 1.155 377 P CA 1.764 64.548 63.100 -0.527 0.000 0.890 377 P CB 0.207 31.770 31.700 -0.229 0.000 0.790 378 E N -0.772 119.407 120.200 -0.035 0.000 2.256 378 E HA 0.357 4.711 4.350 0.006 0.000 0.268 378 E C -0.335 176.265 176.600 0.001 0.000 0.877 378 E CA -0.521 55.848 56.400 -0.052 0.000 0.757 378 E CB 2.162 31.861 29.700 -0.002 0.000 1.183 378 E HN 0.038 nan 8.360 nan 0.000 0.418 379 R N 2.526 122.939 120.500 -0.145 0.000 2.670 379 R HA 0.549 4.893 4.340 0.006 0.000 0.289 379 R C -0.143 176.045 176.300 -0.187 0.000 0.965 379 R CA -0.830 55.150 56.100 -0.200 0.000 0.899 379 R CB 1.801 31.778 30.300 -0.538 0.000 1.173 379 R HN 0.400 nan 8.270 nan 0.000 0.456 380 I N 4.177 124.668 120.570 -0.131 0.000 2.352 380 I HA 0.208 4.382 4.170 0.006 0.000 0.290 380 I C -0.152 175.731 176.117 -0.391 0.000 1.036 380 I CA -0.246 60.924 61.300 -0.217 0.000 1.336 380 I CB 0.641 38.555 38.000 -0.144 0.000 1.407 380 I HN 0.276 nan 8.210 nan 0.000 0.497 381 L N 6.415 127.350 121.223 -0.480 0.000 2.296 381 L HA 0.352 4.696 4.340 0.006 0.000 0.286 381 L C 0.428 176.927 176.870 -0.619 0.000 1.023 381 L CA -0.726 53.750 54.840 -0.606 0.000 0.812 381 L CB 0.996 42.571 42.059 -0.806 0.000 1.223 381 L HN 0.603 nan 8.230 nan 0.000 0.421 382 H N 3.653 122.573 119.070 -0.250 0.000 2.610 382 H HA 0.190 4.750 4.556 0.006 0.000 0.302 382 H C -0.918 174.232 175.328 -0.296 0.000 1.063 382 H CA 0.090 55.965 56.048 -0.289 0.000 1.159 382 H CB -0.311 29.214 29.762 -0.395 0.000 1.427 382 H HN 0.561 nan 8.280 nan 0.000 0.553 383 Y N -2.049 118.122 120.300 -0.215 0.000 2.624 383 Y HA 0.598 5.152 4.550 0.006 0.000 0.334 383 Y C -1.250 174.555 175.900 -0.158 0.000 1.155 383 Y CA -1.361 56.614 58.100 -0.207 0.000 1.046 383 Y CB 1.284 39.595 38.460 -0.249 0.000 1.316 383 Y HN -0.157 nan 8.280 nan 0.000 0.457 384 E N 2.160 122.376 120.200 0.027 0.000 2.277 384 E HA 0.697 5.051 4.350 0.006 0.000 0.266 384 E C -1.432 175.237 176.600 0.116 0.000 0.901 384 E CA -1.133 55.265 56.400 -0.004 0.000 0.782 384 E CB 3.063 32.740 29.700 -0.038 0.000 1.228 384 E HN 0.632 nan 8.360 nan 0.000 0.424 385 I N 1.503 122.108 120.570 0.059 0.000 2.418 385 I HA 0.211 4.385 4.170 0.006 0.000 0.287 385 I C -0.846 175.273 176.117 0.003 0.000 1.008 385 I CA -0.789 60.505 61.300 -0.011 0.000 1.104 385 I CB 1.582 39.521 38.000 -0.103 0.000 1.264 385 I HN 0.345 nan 8.210 nan 0.000 0.438 386 D N 7.493 127.905 120.400 0.019 0.000 2.317 386 D HA 0.315 4.959 4.640 0.006 0.000 0.234 386 D C 0.364 176.696 176.300 0.054 0.000 1.112 386 D CA -0.393 53.625 54.000 0.030 0.000 0.840 386 D CB 1.243 42.061 40.800 0.030 0.000 1.078 386 D HN 0.578 nan 8.370 nan 0.000 0.486 387 I N 1.143 121.733 120.570 0.033 0.000 3.889 387 I HA 0.153 4.327 4.170 0.006 0.000 0.332 387 I C 1.322 177.408 176.117 -0.051 0.000 1.493 387 I CA -0.428 60.875 61.300 0.005 0.000 1.158 387 I CB 0.146 38.143 38.000 -0.004 0.000 1.117 387 I HN 0.154 nan 8.210 nan 0.000 0.411 388 S N 1.619 117.305 115.700 -0.022 0.000 2.419 388 S HA -0.086 4.388 4.470 0.006 0.000 0.233 388 S C 1.987 176.562 174.600 -0.041 0.000 1.016 388 S CA 0.949 59.133 58.200 -0.027 0.000 0.974 388 S CB -0.297 62.899 63.200 -0.006 0.000 0.786 388 S HN 0.612 nan 8.310 nan 0.000 0.492 389 A N 0.784 123.577 122.820 -0.045 0.000 2.167 389 A HA 0.683 5.007 4.320 0.006 0.000 0.214 389 A C 1.271 178.790 177.584 -0.108 0.000 1.151 389 A CA 0.650 52.658 52.037 -0.047 0.000 0.735 389 A CB -0.361 18.629 19.000 -0.016 0.000 0.802 389 A HN 1.264 nan 8.150 nan 0.000 0.467 390 A N -0.760 121.927 122.820 -0.221 0.000 3.277 390 A HA 0.578 4.901 4.320 0.006 0.000 0.281 390 A C -2.212 174.982 177.584 -0.650 0.000 1.179 390 A CA -0.551 51.198 52.037 -0.481 0.000 0.879 390 A CB 0.279 18.878 19.000 -0.669 0.000 1.374 390 A HN 0.042 nan 8.150 nan 0.000 0.590 391 P HA -0.137 nan 4.420 nan 0.000 0.225 391 P C 1.508 178.738 177.300 -0.117 0.000 1.148 391 P CA 0.952 63.952 63.100 -0.167 0.000 0.779 391 P CB -0.121 31.553 31.700 -0.043 0.000 0.780 392 W N -1.034 120.257 121.300 -0.016 0.000 2.611 392 W HA 0.005 4.668 4.660 0.006 0.000 0.251 392 W C 0.812 177.261 176.519 -0.115 0.000 1.265 392 W CA 0.102 57.410 57.345 -0.061 0.000 1.295 392 W CB -1.562 27.899 29.460 0.002 0.000 1.129 392 W HN -0.056 nan 8.180 nan 0.000 0.630 393 L N 2.171 123.188 121.223 -0.344 0.000 2.456 393 L HA -0.202 4.142 4.340 0.006 0.000 0.224 393 L C 1.935 179.079 176.870 0.457 0.000 1.148 393 L CA 1.730 56.561 54.840 -0.015 0.000 0.825 393 L CB -0.641 41.284 42.059 -0.223 0.000 0.937 393 L HN -0.037 nan 8.230 nan 0.000 0.450 394 D N -2.962 117.625 120.400 0.312 0.000 2.339 394 D HA -0.204 4.440 4.640 0.006 0.000 0.217 394 D C 0.887 177.486 176.300 0.498 0.000 1.050 394 D CA -0.293 53.923 54.000 0.361 0.000 0.856 394 D CB -0.276 40.639 40.800 0.191 0.000 0.922 394 D HN 0.221 nan 8.370 nan 0.000 0.518 395 W N 0.873 122.298 121.300 0.208 0.000 4.973 395 W HA -0.251 4.414 4.660 0.007 0.000 0.350 395 W C 1.240 177.820 176.519 0.101 0.000 1.280 395 W CA 0.617 58.067 57.345 0.174 0.000 0.854 395 W CB -1.749 27.795 29.460 0.141 0.000 2.367 395 W HN 0.448 nan 8.180 nan 0.000 1.511 396 G N 0.730 109.655 108.800 0.208 0.000 2.296 396 G HA2 -0.294 3.670 3.960 0.006 0.000 0.282 396 G HA3 -0.294 3.670 3.960 0.006 0.000 0.282 396 G C 0.144 175.115 174.900 0.118 0.000 1.014 396 G CA 1.091 46.270 45.100 0.130 0.000 0.812 396 G HN 0.311 nan 8.290 nan 0.000 0.508 397 T N -0.307 114.338 114.554 0.152 0.000 2.879 397 T HA 0.462 4.816 4.350 0.006 0.000 0.290 397 T C -0.348 174.403 174.700 0.086 0.000 0.993 397 T CA -0.581 61.583 62.100 0.107 0.000 0.975 397 T CB 2.192 71.129 68.868 0.116 0.000 0.981 397 T HN 0.349 nan 8.240 nan 0.000 0.439 398 E N 3.359 123.590 120.200 0.051 0.000 2.229 398 E HA 0.195 4.549 4.350 0.006 0.000 0.283 398 E C -0.265 176.350 176.600 0.025 0.000 1.030 398 E CA -0.702 55.718 56.400 0.033 0.000 0.836 398 E CB 0.472 30.183 29.700 0.019 0.000 1.068 398 E HN 0.258 nan 8.360 nan 0.000 0.401 399 K N 3.068 123.478 120.400 0.017 0.000 2.087 399 K HA 0.147 4.471 4.320 0.006 0.000 0.255 399 K C -0.223 176.379 176.600 0.004 0.000 0.988 399 K CA -0.705 55.591 56.287 0.015 0.000 0.915 399 K CB 0.944 33.447 32.500 0.004 0.000 1.043 399 K HN 0.499 nan 8.250 nan 0.000 0.457 400 Q N 1.502 121.316 119.800 0.023 0.000 2.293 400 Q HA 0.168 4.512 4.340 0.006 0.000 0.263 400 Q C -0.489 175.509 176.000 -0.005 0.000 1.002 400 Q CA 0.020 55.835 55.803 0.020 0.000 0.910 400 Q CB 0.317 29.088 28.738 0.056 0.000 1.185 400 Q HN 0.419 nan 8.270 nan 0.000 0.401 401 L N 6.939 128.131 121.223 -0.052 0.000 2.529 401 L HA 0.022 4.366 4.340 0.006 0.000 0.287 401 L C -1.191 175.613 176.870 -0.110 0.000 1.241 401 L CA -0.828 53.941 54.840 -0.119 0.000 0.857 401 L CB 0.348 42.320 42.059 -0.146 0.000 1.113 401 L HN 0.769 nan 8.230 nan 0.000 0.504 402 P HA -0.007 nan 4.420 nan 0.000 0.245 402 P C -0.072 176.996 177.300 -0.385 0.000 1.212 402 P CA 0.425 63.343 63.100 -0.303 0.000 0.774 402 P CB 0.284 31.823 31.700 -0.268 0.000 0.999 403 E N 0.570 120.626 120.200 -0.241 0.000 2.373 403 E HA 0.370 4.724 4.350 0.006 0.000 0.267 403 E C -0.053 176.440 176.600 -0.178 0.000 1.032 403 E CA -0.074 56.191 56.400 -0.225 0.000 0.889 403 E CB 0.674 30.335 29.700 -0.064 0.000 0.984 403 E HN 0.172 nan 8.360 nan 0.000 0.425 404 I N 2.714 123.177 120.570 -0.179 0.000 2.571 404 I HA 0.220 4.393 4.170 0.006 0.000 0.289 404 I C -0.769 175.319 176.117 -0.048 0.000 1.115 404 I CA -0.942 60.286 61.300 -0.119 0.000 1.045 404 I CB 1.813 39.714 38.000 -0.165 0.000 1.238 404 I HN 0.328 nan 8.210 nan 0.000 0.424 405 N N 6.819 125.525 118.700 0.009 0.000 2.456 405 N HA 0.490 5.234 4.740 0.006 0.000 0.288 405 N C -2.449 173.111 175.510 0.084 0.000 1.059 405 N CA -1.440 51.661 53.050 0.085 0.000 0.946 405 N CB 1.200 39.770 38.487 0.138 0.000 1.150 405 N HN 0.333 nan 8.380 nan 0.000 0.479 406 P HA 0.194 nan 4.420 nan 0.000 0.275 406 P C -0.571 176.811 177.300 0.136 0.000 1.228 406 P CA -0.212 63.004 63.100 0.194 0.000 0.786 406 P CB 1.300 33.123 31.700 0.205 0.000 0.927 407 K N 1.404 121.930 120.400 0.210 0.000 2.202 407 K HA 0.196 4.520 4.320 0.006 0.000 0.264 407 K C 1.639 178.280 176.600 0.068 0.000 1.010 407 K CA -0.627 55.745 56.287 0.141 0.000 0.940 407 K CB 0.493 33.161 32.500 0.281 0.000 0.983 407 K HN 0.349 nan 8.250 nan 0.000 0.475 408 L N 0.884 122.051 121.223 -0.094 0.000 2.051 408 L HA -0.241 4.103 4.340 0.006 0.000 0.214 408 L C 1.258 178.187 176.870 0.099 0.000 1.076 408 L CA 1.787 56.509 54.840 -0.197 0.000 0.758 408 L CB -0.395 41.461 42.059 -0.338 0.000 0.890 408 L HN 1.039 nan 8.230 nan 0.000 0.433 409 G N -2.581 106.326 108.800 0.179 0.000 2.350 409 G HA2 0.236 4.200 3.960 0.006 0.000 0.276 409 G HA3 0.236 4.200 3.960 0.006 0.000 0.276 409 G C -2.375 172.721 174.900 0.326 0.000 1.313 409 G CA -0.377 44.833 45.100 0.183 0.000 0.903 409 G HN 0.210 nan 8.290 nan 0.000 0.490 410 W N -3.586 117.720 121.300 0.010 0.000 3.057 410 W HA 0.618 5.282 4.660 0.006 0.000 0.328 410 W C 0.156 176.564 176.519 -0.184 0.000 1.232 410 W CA -0.905 56.305 57.345 -0.225 0.000 1.187 410 W CB 0.307 29.632 29.460 -0.226 0.000 1.417 410 W HN 1.118 nan 8.180 nan 0.000 0.569 411 M N 1.192 120.667 119.600 -0.209 0.000 2.302 411 M HA -0.256 4.228 4.480 0.006 0.000 0.200 411 M C -0.424 175.828 176.300 -0.079 0.000 0.366 411 M CA 0.910 56.049 55.300 -0.269 0.000 0.440 411 M CB -1.444 30.815 32.600 -0.567 0.000 1.475 411 M HN 0.458 nan 8.290 nan 0.000 0.905 412 I N 0.211 120.758 120.570 -0.039 0.000 2.268 412 I HA 0.132 4.306 4.170 0.006 0.000 0.298 412 I C 1.547 177.741 176.117 0.129 0.000 1.185 412 I CA 0.332 61.678 61.300 0.076 0.000 1.548 412 I CB 0.052 38.050 38.000 -0.004 0.000 1.492 412 I HN 0.504 nan 8.210 nan 0.000 0.711 413 G N 2.907 111.855 108.800 0.247 0.000 2.985 413 G HA2 -0.019 3.945 3.960 0.006 0.000 0.209 413 G HA3 -0.019 3.945 3.960 0.006 0.000 0.209 413 G C 0.020 175.141 174.900 0.369 0.000 1.165 413 G CA 0.177 45.466 45.100 0.315 0.000 0.776 413 G HN 0.504 nan 8.290 nan 0.000 0.541 414 D N -0.850 119.701 120.400 0.251 0.000 2.977 414 D HA 0.512 5.155 4.640 0.006 0.000 0.220 414 D C -1.416 174.962 176.300 0.131 0.000 1.267 414 D CA -0.514 53.574 54.000 0.147 0.000 0.884 414 D CB 2.033 42.914 40.800 0.136 0.000 1.667 414 D HN -0.028 nan 8.370 nan 0.000 0.536 415 I N 1.779 122.387 120.570 0.062 0.000 2.686 415 I HA 0.468 4.641 4.170 0.006 0.000 0.295 415 I C -1.456 174.706 176.117 0.075 0.000 1.114 415 I CA -0.459 60.914 61.300 0.122 0.000 1.038 415 I CB 1.617 39.678 38.000 0.102 0.000 1.238 415 I HN 0.201 nan 8.210 nan 0.000 0.420 416 E N 7.475 127.757 120.200 0.137 0.000 2.272 416 E HA 0.478 4.832 4.350 0.006 0.000 0.269 416 E C -1.200 175.415 176.600 0.024 0.000 0.877 416 E CA -0.552 55.915 56.400 0.112 0.000 0.755 416 E CB 2.977 32.875 29.700 0.330 0.000 1.192 416 E HN 0.502 nan 8.360 nan 0.000 0.422 417 I N 1.848 122.350 120.570 -0.112 0.000 2.336 417 I HA 0.062 4.235 4.170 0.006 0.000 0.292 417 I C 0.464 176.280 176.117 -0.502 0.000 0.991 417 I CA -0.723 60.453 61.300 -0.206 0.000 1.227 417 I CB 0.943 38.854 38.000 -0.148 0.000 1.366 417 I HN 0.282 nan 8.210 nan 0.000 0.466 418 D N 9.795 129.805 120.400 -0.650 0.000 2.570 418 D HA -0.034 4.610 4.640 0.006 0.000 0.243 418 D C -1.403 174.576 176.300 -0.535 0.000 1.171 418 D CA -1.253 52.184 54.000 -0.939 0.000 0.879 418 D CB 1.169 41.723 40.800 -0.410 0.000 1.143 418 D HN 0.281 nan 8.370 nan 0.000 0.511 419 P HA -0.083 nan 4.420 nan 0.000 0.230 419 P C 0.569 177.449 177.300 -0.701 0.000 1.158 419 P CA 0.743 63.520 63.100 -0.539 0.000 0.769 419 P CB -0.015 31.352 31.700 -0.555 0.000 0.807 420 F N -1.246 118.637 119.950 -0.112 0.000 2.706 420 F HA 0.327 4.858 4.527 0.007 0.000 0.313 420 F C 0.691 176.463 175.800 -0.046 0.000 1.096 420 F CA -0.237 57.735 58.000 -0.046 0.000 1.219 420 F CB 0.199 39.200 39.000 0.002 0.000 1.051 420 F HN -0.141 nan 8.300 nan 0.000 0.568 421 N N -0.561 118.150 118.700 0.020 0.000 2.699 421 N HA 0.098 4.841 4.740 0.006 0.000 0.271 421 N C 0.211 175.691 175.510 -0.050 0.000 1.216 421 N CA 0.076 53.131 53.050 0.009 0.000 0.844 421 N CB 1.120 39.634 38.487 0.045 0.000 1.462 421 N HN -0.215 nan 8.380 nan 0.000 0.555 422 S N 1.032 116.702 115.700 -0.049 0.000 2.440 422 S HA -0.091 4.383 4.470 0.006 0.000 0.238 422 S C 0.843 175.428 174.600 -0.024 0.000 1.010 422 S CA 0.806 58.971 58.200 -0.057 0.000 0.972 422 S CB 0.104 63.272 63.200 -0.053 0.000 0.774 422 S HN 0.567 nan 8.310 nan 0.000 0.501 423 D N 0.370 120.770 120.400 -0.000 0.000 2.349 423 D HA 0.042 4.686 4.640 0.006 0.000 0.215 423 D C 0.824 177.146 176.300 0.037 0.000 1.016 423 D CA 0.302 54.319 54.000 0.028 0.000 0.870 423 D CB 0.184 41.006 40.800 0.036 0.000 0.917 423 D HN 0.249 nan 8.370 nan 0.000 0.524 424 R N 1.346 121.854 120.500 0.013 0.000 2.295 424 R HA 0.374 4.718 4.340 0.006 0.000 0.324 424 R C -0.658 175.649 176.300 0.012 0.000 0.968 424 R CA -0.339 55.775 56.100 0.024 0.000 0.837 424 R CB 1.115 31.430 30.300 0.025 0.000 1.133 424 R HN -0.011 nan 8.270 nan 0.000 0.450 425 M N 5.394 125.035 119.600 0.070 0.000 2.535 425 M HA 0.478 4.962 4.480 0.006 0.000 0.314 425 M C -1.772 174.619 176.300 0.151 0.000 1.153 425 M CA -0.610 54.755 55.300 0.109 0.000 0.924 425 M CB 2.401 35.093 32.600 0.153 0.000 1.710 425 M HN 0.585 nan 8.290 nan 0.000 0.451 426 M N 4.145 123.863 119.600 0.198 0.000 2.446 426 M HA 0.528 5.012 4.480 0.006 0.000 0.294 426 M C -1.790 174.648 176.300 0.230 0.000 1.158 426 M CA -0.701 54.696 55.300 0.162 0.000 0.899 426 M CB 2.649 35.341 32.600 0.154 0.000 1.687 426 M HN 0.775 nan 8.290 nan 0.000 0.455 427 Y N 0.275 120.631 120.300 0.093 0.000 2.588 427 Y HA 0.837 5.391 4.550 0.007 0.000 0.343 427 Y C -1.055 174.872 175.900 0.045 0.000 1.065 427 Y CA -1.509 56.633 58.100 0.070 0.000 1.038 427 Y CB 0.605 39.103 38.460 0.064 0.000 1.297 427 Y HN 0.506 nan 8.280 nan 0.000 0.467 428 V N 0.058 120.092 119.914 0.201 0.000 2.716 428 V HA 0.960 5.084 4.120 0.006 0.000 0.304 428 V C -0.109 176.078 176.094 0.155 0.000 1.053 428 V CA 0.231 62.580 62.300 0.081 0.000 0.984 428 V CB 1.064 32.934 31.823 0.077 0.000 1.021 428 V HN 1.316 nan 8.190 nan 0.000 0.467 429 T N -0.496 114.063 114.554 0.008 0.000 2.804 429 T HA 0.611 4.965 4.350 0.006 0.000 0.290 429 T C 1.012 175.630 174.700 -0.138 0.000 1.099 429 T CA -0.063 61.930 62.100 -0.179 0.000 1.011 429 T CB 1.201 69.796 68.868 -0.456 0.000 1.291 429 T HN 1.275 nan 8.240 nan 0.000 0.523 430 G N -0.636 107.847 108.800 -0.529 0.000 2.625 430 G HA2 0.299 4.263 3.960 0.006 0.000 0.214 430 G HA3 0.299 4.263 3.960 0.006 0.000 0.214 430 G C 1.031 176.040 174.900 0.182 0.000 1.132 430 G CA 0.687 45.730 45.100 -0.094 0.000 0.782 430 G HN 1.236 nan 8.290 nan 0.000 0.538 431 A N -2.019 120.803 122.820 0.003 0.000 2.340 431 A HA 0.584 4.908 4.320 0.006 0.000 0.213 431 A C 0.754 178.437 177.584 0.165 0.000 1.299 431 A CA 1.242 53.451 52.037 0.287 0.000 0.994 431 A CB 0.813 20.214 19.000 0.668 0.000 1.132 431 A HN 0.318 nan 8.150 nan 0.000 0.519 432 T N -1.271 113.220 114.554 -0.106 0.000 2.665 432 T HA 0.569 4.922 4.350 0.006 0.000 0.303 432 T C -1.996 172.494 174.700 -0.349 0.000 1.334 432 T CA -0.322 61.627 62.100 -0.251 0.000 1.011 432 T CB 0.826 69.406 68.868 -0.481 0.000 1.573 432 T HN 0.163 nan 8.240 nan 0.000 0.492 433 I N 2.236 122.569 120.570 -0.395 0.000 2.406 433 I HA 0.482 4.655 4.170 0.006 0.000 0.290 433 I C -1.188 174.657 176.117 -0.455 0.000 0.999 433 I CA -0.719 60.362 61.300 -0.365 0.000 1.124 433 I CB 1.399 39.259 38.000 -0.234 0.000 1.289 433 I HN 0.543 nan 8.210 nan 0.000 0.441 434 Y N 3.572 123.562 120.300 -0.517 0.000 2.496 434 Y HA 0.839 5.393 4.550 0.007 0.000 0.331 434 Y C 0.686 176.319 175.900 -0.444 0.000 1.140 434 Y CA -0.717 57.058 58.100 -0.541 0.000 1.166 434 Y CB 2.175 40.127 38.460 -0.847 0.000 1.249 434 Y HN 0.580 nan 8.280 nan 0.000 0.479 435 G N -0.604 108.196 108.800 -0.001 0.000 2.559 435 G HA2 0.555 4.518 3.960 0.006 0.000 0.291 435 G HA3 0.555 4.518 3.960 0.006 0.000 0.291 435 G C -1.645 173.300 174.900 0.075 0.000 1.424 435 G CA -0.517 44.606 45.100 0.039 0.000 0.786 435 G HN 1.033 nan 8.290 nan 0.000 0.485 436 C N -1.701 117.651 119.300 0.086 0.000 3.236 436 C HA 0.876 5.340 4.460 0.006 0.000 0.312 436 C C -0.438 174.597 174.990 0.075 0.000 1.374 436 C CA -0.729 58.337 59.018 0.081 0.000 1.455 436 C CB 1.899 29.692 27.740 0.089 0.000 1.834 436 C HN 0.679 nan 8.230 nan 0.000 0.460 437 D N 0.540 120.982 120.400 0.071 0.000 2.527 437 D HA 0.093 4.737 4.640 0.006 0.000 0.224 437 D C 0.163 176.500 176.300 0.061 0.000 1.217 437 D CA 0.372 54.411 54.000 0.065 0.000 0.819 437 D CB 0.206 41.046 40.800 0.067 0.000 1.061 437 D HN 0.799 nan 8.370 nan 0.000 0.515 438 N N 1.303 120.044 118.700 0.067 0.000 2.497 438 N HA -0.008 4.736 4.740 0.006 0.000 0.284 438 N C 1.235 176.800 175.510 0.093 0.000 1.459 438 N CA -0.346 52.745 53.050 0.069 0.000 0.899 438 N CB 0.237 38.760 38.487 0.061 0.000 1.316 438 N HN -0.038 nan 8.380 nan 0.000 0.500 439 L N 1.776 123.060 121.223 0.102 0.000 2.013 439 L HA -0.146 4.197 4.340 0.006 0.000 0.212 439 L C 2.206 179.183 176.870 0.178 0.000 1.073 439 L CA 2.601 57.533 54.840 0.154 0.000 0.753 439 L CB -1.198 40.941 42.059 0.133 0.000 0.890 439 L HN 0.493 nan 8.230 nan 0.000 0.432 440 T N -4.851 109.765 114.554 0.103 0.000 3.072 440 T HA -0.109 4.245 4.350 0.006 0.000 0.266 440 T C 1.514 176.273 174.700 0.098 0.000 1.127 440 T CA 0.878 63.023 62.100 0.075 0.000 1.107 440 T CB -0.665 68.216 68.868 0.022 0.000 0.910 440 T HN 0.314 nan 8.240 nan 0.000 0.513 441 D N 0.505 120.975 120.400 0.118 0.000 2.158 441 D HA -0.105 4.539 4.640 0.006 0.000 0.197 441 D C 1.341 177.751 176.300 0.183 0.000 0.995 441 D CA 0.795 54.865 54.000 0.117 0.000 0.846 441 D CB -0.498 40.359 40.800 0.095 0.000 0.941 441 D HN 0.495 nan 8.370 nan 0.000 0.456 442 W N 2.209 123.509 121.300 -0.001 0.000 2.321 442 W HA -0.165 4.498 4.660 0.006 0.000 0.306 442 W C 1.137 177.627 176.519 -0.048 0.000 1.217 442 W CA 1.267 58.601 57.345 -0.019 0.000 1.257 442 W CB -0.502 28.953 29.460 -0.009 0.000 1.145 442 W HN -0.019 nan 8.180 nan 0.000 0.509 443 D N -0.367 120.094 120.400 0.101 0.000 2.312 443 D HA -0.109 4.535 4.640 0.006 0.000 0.211 443 D C 1.727 178.024 176.300 -0.004 0.000 0.964 443 D CA 1.056 55.024 54.000 -0.053 0.000 0.877 443 D CB -0.306 40.436 40.800 -0.096 0.000 0.924 443 D HN 0.430 nan 8.370 nan 0.000 0.515 444 R N -0.570 119.958 120.500 0.045 0.000 2.586 444 R HA 0.394 4.738 4.340 0.006 0.000 0.336 444 R C 0.892 177.223 176.300 0.053 0.000 1.060 444 R CA 0.234 56.355 56.100 0.035 0.000 1.079 444 R CB -0.120 30.196 30.300 0.028 0.000 1.317 444 R HN -0.066 nan 8.270 nan 0.000 0.568 445 G N -0.033 108.815 108.800 0.079 0.000 2.136 445 G HA2 -0.255 3.708 3.960 0.006 0.000 0.242 445 G HA3 -0.255 3.708 3.960 0.006 0.000 0.242 445 G C 0.239 175.191 174.900 0.086 0.000 0.989 445 G CA -0.083 45.064 45.100 0.080 0.000 0.682 445 G HN 0.709 nan 8.290 nan 0.000 0.522 446 G N -0.823 108.035 108.800 0.097 0.000 2.521 446 G HA2 0.633 4.597 3.960 0.006 0.000 0.323 446 G HA3 0.633 4.597 3.960 0.006 0.000 0.323 446 G C -0.219 174.722 174.900 0.069 0.000 1.211 446 G CA -0.791 44.354 45.100 0.075 0.000 0.979 446 G HN 0.336 nan 8.290 nan 0.000 0.490 447 K N -0.132 120.286 120.400 0.030 0.000 2.156 447 K HA 0.400 4.724 4.320 0.006 0.000 0.271 447 K C -0.413 176.185 176.600 -0.003 0.000 0.995 447 K CA -0.563 55.715 56.287 -0.014 0.000 0.890 447 K CB 2.253 34.727 32.500 -0.043 0.000 1.073 447 K HN 0.173 nan 8.250 nan 0.000 0.454 448 V N 4.153 124.043 119.914 -0.040 0.000 2.529 448 V HA -0.015 4.109 4.120 0.006 0.000 0.292 448 V C 0.435 176.548 176.094 0.031 0.000 1.028 448 V CA 0.041 62.344 62.300 0.005 0.000 1.074 448 V CB 0.173 31.965 31.823 -0.051 0.000 0.958 448 V HN 0.544 nan 8.190 nan 0.000 0.481 449 K N 6.205 126.629 120.400 0.041 0.000 2.206 449 K HA 0.438 4.762 4.320 0.006 0.000 0.268 449 K C -0.340 176.286 176.600 0.043 0.000 1.111 449 K CA 0.016 56.326 56.287 0.038 0.000 0.955 449 K CB 0.558 33.080 32.500 0.036 0.000 1.406 449 K HN 0.548 nan 8.250 nan 0.000 0.427 450 I N 2.678 123.267 120.570 0.032 0.000 2.472 450 I HA 0.086 4.259 4.170 0.006 0.000 0.290 450 I C 0.833 176.964 176.117 0.024 0.000 1.016 450 I CA -0.113 61.192 61.300 0.007 0.000 1.348 450 I CB 0.746 38.688 38.000 -0.097 0.000 1.417 450 I HN 0.504 nan 8.210 nan 0.000 0.521 451 E N 4.213 124.463 120.200 0.084 0.000 2.429 451 E HA 0.473 4.827 4.350 0.006 0.000 0.276 451 E C -1.462 175.275 176.600 0.228 0.000 0.953 451 E CA -1.027 55.453 56.400 0.133 0.000 0.787 451 E CB 1.775 31.528 29.700 0.089 0.000 1.307 451 E HN 0.182 nan 8.360 nan 0.000 0.458 452 V N 2.310 122.328 119.914 0.174 0.000 2.493 452 V HA 0.031 4.155 4.120 0.006 0.000 0.292 452 V C 0.461 176.590 176.094 0.058 0.000 1.016 452 V CA 0.162 62.474 62.300 0.019 0.000 1.097 452 V CB 0.300 32.072 31.823 -0.084 0.000 0.947 452 V HN 0.621 nan 8.190 nan 0.000 0.479 453 K N 3.987 124.419 120.400 0.053 0.000 2.618 453 K HA 0.396 4.720 4.320 0.006 0.000 0.207 453 K C 0.787 177.618 176.600 0.385 0.000 1.058 453 K CA 0.199 56.613 56.287 0.211 0.000 1.086 453 K CB 1.308 33.902 32.500 0.156 0.000 0.827 453 K HN 0.723 nan 8.250 nan 0.000 0.481 454 A N 0.578 123.515 122.820 0.195 0.000 2.503 454 A HA 0.128 4.452 4.320 0.006 0.000 0.263 454 A C 0.420 178.128 177.584 0.205 0.000 1.258 454 A CA -0.143 51.975 52.037 0.136 0.000 0.936 454 A CB 0.044 18.980 19.000 -0.108 0.000 1.070 454 A HN 0.033 nan 8.150 nan 0.000 0.522 455 T N 0.515 115.225 114.554 0.260 0.000 2.871 455 T HA 0.402 4.756 4.350 0.006 0.000 0.296 455 T C 1.469 176.304 174.700 0.226 0.000 0.998 455 T CA 1.458 63.663 62.100 0.175 0.000 1.162 455 T CB 0.658 69.591 68.868 0.108 0.000 0.947 455 T HN 1.336 nan 8.240 nan 0.000 0.536 456 G N 3.305 112.204 108.800 0.166 0.000 2.254 456 G HA2 -0.203 3.760 3.960 0.006 0.000 0.225 456 G HA3 -0.203 3.760 3.960 0.006 0.000 0.225 456 G C 0.188 175.201 174.900 0.189 0.000 1.003 456 G CA -0.535 44.689 45.100 0.207 0.000 0.622 456 G HN 0.706 nan 8.290 nan 0.000 0.507 457 I N 1.933 122.486 120.570 -0.027 0.000 2.416 457 I HA 0.407 4.581 4.170 0.006 0.000 0.288 457 I C -0.313 175.806 176.117 0.003 0.000 1.051 457 I CA -0.053 61.052 61.300 -0.325 0.000 1.375 457 I CB 1.088 38.679 38.000 -0.681 0.000 1.407 457 I HN -0.021 nan 8.210 nan 0.000 0.516 458 E N 6.804 127.105 120.200 0.168 0.000 2.325 458 E HA 0.170 4.523 4.350 0.006 0.000 0.248 458 E C -0.320 176.393 176.600 0.188 0.000 0.912 458 E CA -0.101 56.394 56.400 0.158 0.000 0.782 458 E CB 1.821 31.616 29.700 0.159 0.000 1.264 458 E HN 0.594 nan 8.360 nan 0.000 0.417 459 E N 1.353 121.634 120.200 0.136 0.000 2.583 459 E HA 0.120 4.473 4.350 0.006 0.000 0.213 459 E C -0.268 176.400 176.600 0.114 0.000 0.989 459 E CA -0.168 56.319 56.400 0.146 0.000 0.991 459 E CB 0.564 30.348 29.700 0.140 0.000 1.040 459 E HN 0.391 nan 8.360 nan 0.000 0.481 460 C N 1.492 120.841 119.300 0.083 0.000 2.676 460 C HA 0.372 4.836 4.460 0.006 0.000 0.416 460 C C 0.826 175.846 174.990 0.050 0.000 1.299 460 C CA -0.281 58.774 59.018 0.061 0.000 2.048 460 C CB 0.208 27.968 27.740 0.034 0.000 2.713 460 C HN 0.430 nan 8.230 nan 0.000 0.624 461 A N 3.405 126.253 122.820 0.047 0.000 2.252 461 A HA 0.572 4.895 4.320 0.006 0.000 0.309 461 A C -0.384 177.196 177.584 -0.007 0.000 1.285 461 A CA -0.221 51.829 52.037 0.022 0.000 0.900 461 A CB 0.215 19.239 19.000 0.039 0.000 1.157 461 A HN 0.743 nan 8.150 nan 0.000 0.536 462 V N 4.818 124.716 119.914 -0.027 0.000 2.407 462 V HA 0.221 4.345 4.120 0.006 0.000 0.278 462 V C 0.893 176.959 176.094 -0.046 0.000 1.037 462 V CA -0.114 62.167 62.300 -0.031 0.000 0.900 462 V CB 1.091 32.895 31.823 -0.032 0.000 0.983 462 V HN 0.925 nan 8.190 nan 0.000 0.459 463 L N 1.844 123.041 121.223 -0.044 0.000 2.425 463 L HA 0.454 4.797 4.340 0.006 0.000 0.215 463 L C 0.328 177.176 176.870 -0.037 0.000 1.065 463 L CA 0.607 55.417 54.840 -0.050 0.000 0.842 463 L CB 0.340 42.363 42.059 -0.060 0.000 1.033 463 L HN 0.599 nan 8.230 nan 0.000 0.474 464 D N -0.867 119.517 120.400 -0.026 0.000 2.623 464 D HA 0.631 5.275 4.640 0.006 0.000 0.241 464 D C -1.499 174.806 176.300 0.009 0.000 1.241 464 D CA -0.238 53.759 54.000 -0.005 0.000 0.788 464 D CB 2.419 43.217 40.800 -0.003 0.000 1.413 464 D HN -0.204 nan 8.370 nan 0.000 0.429 465 L N 0.818 122.055 121.223 0.023 0.000 2.472 465 L HA 0.698 5.042 4.340 0.006 0.000 0.260 465 L C -0.861 176.040 176.870 0.052 0.000 0.963 465 L CA -1.146 53.704 54.840 0.016 0.000 0.829 465 L CB 2.212 44.259 42.059 -0.020 0.000 1.348 465 L HN 0.306 nan 8.230 nan 0.000 0.408 466 V N -1.197 118.747 119.914 0.049 0.000 2.841 466 V HA 0.700 4.824 4.120 0.006 0.000 0.310 466 V C -0.587 175.488 176.094 -0.032 0.000 1.090 466 V CA -0.554 61.815 62.300 0.115 0.000 0.930 466 V CB 1.889 33.891 31.823 0.300 0.000 1.014 466 V HN 0.728 nan 8.190 nan 0.000 0.425 467 S N 5.519 121.208 115.700 -0.018 0.000 2.532 467 S HA 0.607 5.081 4.470 0.006 0.000 0.256 467 S C -2.235 172.268 174.600 -0.162 0.000 1.298 467 S CA -1.239 56.890 58.200 -0.118 0.000 1.166 467 S CB 0.795 63.984 63.200 -0.018 0.000 1.022 467 S HN 0.869 nan 8.310 nan 0.000 0.480 468 P HA 0.286 nan 4.420 nan 0.000 0.274 468 P C -2.279 174.848 177.300 -0.289 0.000 1.237 468 P CA -1.410 61.267 63.100 -0.705 0.000 0.793 468 P CB 0.414 31.680 31.700 -0.723 0.000 0.977 469 P HA 0.042 nan 4.420 nan 0.000 0.233 469 P C -0.028 177.247 177.300 -0.042 0.000 1.167 469 P CA 1.159 64.233 63.100 -0.044 0.000 0.770 469 P CB 0.583 32.301 31.700 0.030 0.000 0.837 470 E N -1.390 118.764 120.200 -0.077 0.000 2.383 470 E HA 0.521 4.875 4.350 0.006 0.000 0.275 470 E C 0.029 176.586 176.600 -0.071 0.000 0.918 470 E CA -0.608 55.763 56.400 -0.048 0.000 0.764 470 E CB 2.155 31.843 29.700 -0.020 0.000 1.252 470 E HN 0.033 nan 8.360 nan 0.000 0.449 471 G N 1.020 109.792 108.800 -0.046 0.000 2.475 471 G HA2 0.014 3.978 3.960 0.006 0.000 0.223 471 G HA3 0.014 3.978 3.960 0.006 0.000 0.223 471 G C -0.359 174.513 174.900 -0.045 0.000 1.201 471 G CA -0.472 44.600 45.100 -0.047 0.000 0.962 471 G HN 0.834 nan 8.290 nan 0.000 0.586 472 A N 1.326 124.118 122.820 -0.047 0.000 2.425 472 A HA 0.653 4.976 4.320 0.006 0.000 0.242 472 A C -0.082 177.465 177.584 -0.061 0.000 1.077 472 A CA 0.332 52.347 52.037 -0.036 0.000 0.781 472 A CB 0.266 19.259 19.000 -0.013 0.000 1.020 472 A HN 0.667 nan 8.150 nan 0.000 0.494 473 P HA 0.019 nan 4.420 nan 0.000 0.221 473 P C -0.081 177.082 177.300 -0.228 0.000 1.150 473 P CA 0.957 64.012 63.100 -0.075 0.000 0.800 473 P CB 0.057 31.744 31.700 -0.021 0.000 0.787 474 L N -1.006 120.090 121.223 -0.212 0.000 2.513 474 L HA 0.414 4.757 4.340 0.006 0.000 0.261 474 L C -1.485 175.388 176.870 0.005 0.000 0.945 474 L CA -0.945 53.714 54.840 -0.301 0.000 0.848 474 L CB 2.646 44.321 42.059 -0.640 0.000 1.334 474 L HN -0.409 nan 8.230 nan 0.000 0.407 475 V N 2.686 122.618 119.914 0.030 0.000 2.531 475 V HA 0.784 4.907 4.120 0.006 0.000 0.301 475 V C -0.266 175.944 176.094 0.192 0.000 1.034 475 V CA -0.378 62.036 62.300 0.190 0.000 0.865 475 V CB 1.822 33.745 31.823 0.166 0.000 0.995 475 V HN 0.862 nan 8.190 nan 0.000 0.424 476 S N 2.988 118.860 115.700 0.287 0.000 2.621 476 S HA 0.943 5.417 4.470 0.006 0.000 0.302 476 S C -0.347 174.336 174.600 0.138 0.000 1.093 476 S CA -0.456 57.860 58.200 0.193 0.000 1.017 476 S CB 2.210 65.580 63.200 0.284 0.000 1.077 476 S HN 1.430 nan 8.310 nan 0.000 0.517 477 A N 1.247 124.092 122.820 0.041 0.000 2.332 477 A HA 0.725 5.049 4.320 0.006 0.000 0.300 477 A C -0.304 177.243 177.584 -0.063 0.000 1.153 477 A CA -0.704 51.310 52.037 -0.037 0.000 0.764 477 A CB 0.626 19.593 19.000 -0.056 0.000 1.174 477 A HN 1.854 nan 8.150 nan 0.000 0.467 478 V N 0.466 120.313 119.914 -0.112 0.000 2.914 478 V HA 0.971 5.094 4.120 0.006 0.000 0.314 478 V C 0.407 176.446 176.094 -0.091 0.000 1.084 478 V CA -0.193 62.058 62.300 -0.082 0.000 0.963 478 V CB 1.375 33.172 31.823 -0.045 0.000 1.025 478 V HN 1.362 nan 8.190 nan 0.000 0.432 479 G N 1.574 110.346 108.800 -0.047 0.000 2.491 479 G HA2 0.465 4.428 3.960 0.006 0.000 0.242 479 G HA3 0.465 4.428 3.960 0.006 0.000 0.242 479 G C 0.160 175.063 174.900 0.004 0.000 1.266 479 G CA 0.797 45.884 45.100 -0.022 0.000 0.844 479 G HN 1.333 nan 8.290 nan 0.000 0.571 480 D N -0.161 120.263 120.400 0.040 0.000 3.031 480 D HA -0.189 4.455 4.640 0.006 0.000 0.180 480 D C 1.449 177.820 176.300 0.118 0.000 1.571 480 D CA 1.737 55.814 54.000 0.128 0.000 2.057 480 D CB -0.662 40.261 40.800 0.204 0.000 1.356 480 D HN 0.321 nan 8.370 nan 0.000 0.442 481 L N 0.349 121.530 121.223 -0.070 0.000 2.728 481 L HA 0.268 4.612 4.340 0.006 0.000 0.238 481 L C 1.647 178.213 176.870 -0.506 0.000 1.143 481 L CA 0.420 55.075 54.840 -0.308 0.000 0.937 481 L CB 0.748 42.529 42.059 -0.463 0.000 1.225 481 L HN 0.201 nan 8.230 nan 0.000 0.507 482 V N -1.001 118.724 119.914 -0.314 0.000 0.516 482 V HA -0.262 3.862 4.120 0.006 0.000 0.092 482 V C 0.940 176.759 176.094 -0.460 0.000 2.243 482 V CA 1.508 63.616 62.300 -0.320 0.000 3.573 482 V CB -1.996 29.665 31.823 -0.270 0.000 0.862 482 V HN 0.762 nan 8.190 nan 0.000 0.902 483 G N -1.369 106.868 108.800 -0.939 0.000 2.359 483 G HA2 0.510 4.473 3.960 0.006 0.000 0.314 483 G HA3 0.510 4.473 3.960 0.006 0.000 0.314 483 G C -1.444 172.343 174.900 -1.856 0.000 1.364 483 G CA -0.278 44.215 45.100 -1.011 0.000 0.978 483 G HN 1.098 nan 8.290 nan 0.000 0.615 484 F N -1.212 118.237 119.950 -0.834 0.000 2.626 484 F HA 0.655 5.185 4.527 0.006 0.000 0.311 484 F C 0.289 175.868 175.800 -0.368 0.000 1.088 484 F CA -1.123 56.431 58.000 -0.744 0.000 0.949 484 F CB 2.245 40.807 39.000 -0.731 0.000 1.322 484 F HN 0.373 nan 8.300 nan 0.000 0.461 485 V N 1.011 120.933 119.914 0.012 0.000 2.498 485 V HA 0.230 4.354 4.120 0.006 0.000 0.279 485 V C -0.814 175.165 176.094 -0.192 0.000 1.048 485 V CA -0.572 61.749 62.300 0.036 0.000 0.967 485 V CB 0.678 32.561 31.823 0.100 0.000 0.988 485 V HN 0.629 nan 8.190 nan 0.000 0.473 486 H N 2.964 122.050 119.070 0.027 0.000 2.700 486 H HA 0.294 4.854 4.556 0.006 0.000 0.269 486 H C 0.461 175.763 175.328 -0.044 0.000 1.222 486 H CA -0.522 55.507 56.048 -0.031 0.000 1.254 486 H CB 0.558 30.270 29.762 -0.082 0.000 1.413 486 H HN 0.577 nan 8.280 nan 0.000 0.507 487 D N 0.833 121.255 120.400 0.037 0.000 2.149 487 D HA -0.108 4.536 4.640 0.006 0.000 0.201 487 D C 0.263 176.570 176.300 0.012 0.000 0.972 487 D CA 1.436 55.446 54.000 0.017 0.000 0.835 487 D CB 0.493 41.298 40.800 0.008 0.000 0.966 487 D HN 0.492 nan 8.370 nan 0.000 0.476 488 D N -0.343 120.067 120.400 0.017 0.000 2.788 488 D HA 0.129 4.773 4.640 0.006 0.000 0.247 488 D C 1.179 177.478 176.300 -0.001 0.000 1.236 488 D CA -0.410 53.591 54.000 0.001 0.000 0.898 488 D CB 1.636 42.439 40.800 0.005 0.000 1.401 488 D HN -0.145 nan 8.370 nan 0.000 0.549 489 L N 2.679 123.868 121.223 -0.056 0.000 2.265 489 L HA -0.078 4.266 4.340 0.006 0.000 0.215 489 L C 1.928 178.782 176.870 -0.027 0.000 1.117 489 L CA 0.790 55.559 54.840 -0.118 0.000 0.782 489 L CB -0.147 41.680 42.059 -0.387 0.000 0.914 489 L HN 0.239 nan 8.230 nan 0.000 0.441 490 K N -0.222 120.183 120.400 0.010 0.000 2.404 490 K HA 0.210 4.534 4.320 0.006 0.000 0.194 490 K C -0.066 176.557 176.600 0.039 0.000 1.023 490 K CA 0.203 56.518 56.287 0.048 0.000 1.094 490 K CB 0.904 33.434 32.500 0.050 0.000 0.841 490 K HN 0.092 nan 8.250 nan 0.000 0.523 491 V N 1.016 120.947 119.914 0.028 0.000 2.487 491 V HA 0.321 4.445 4.120 0.006 0.000 0.298 491 V C 0.359 176.463 176.094 0.016 0.000 1.028 491 V CA -1.214 61.099 62.300 0.021 0.000 0.860 491 V CB 1.553 33.384 31.823 0.014 0.000 0.991 491 V HN 0.223 nan 8.190 nan 0.000 0.427 492 G N 5.437 114.242 108.800 0.008 0.000 2.398 492 G HA2 0.437 4.401 3.960 0.006 0.000 0.246 492 G HA3 0.437 4.401 3.960 0.006 0.000 0.246 492 G C -2.484 172.388 174.900 -0.047 0.000 1.289 492 G CA -0.619 44.469 45.100 -0.021 0.000 0.869 492 G HN 0.535 nan 8.290 nan 0.000 0.543 493 P HA 0.177 nan 4.420 nan 0.000 0.272 493 P C 0.613 177.931 177.300 0.031 0.000 1.230 493 P CA -0.483 62.553 63.100 -0.106 0.000 0.788 493 P CB 0.953 32.498 31.700 -0.260 0.000 0.949 494 K N 0.543 120.986 120.400 0.073 0.000 2.323 494 K HA 0.118 4.442 4.320 0.006 0.000 0.197 494 K C 0.596 177.295 176.600 0.164 0.000 1.043 494 K CA 0.916 57.261 56.287 0.095 0.000 0.997 494 K CB 0.394 32.928 32.500 0.058 0.000 0.807 494 K HN 0.408 nan 8.250 nan 0.000 0.497 495 K N 0.760 121.283 120.400 0.205 0.000 2.546 495 K HA 0.251 4.575 4.320 0.006 0.000 0.264 495 K C -0.755 175.939 176.600 0.157 0.000 0.937 495 K CA -0.445 55.949 56.287 0.179 0.000 0.833 495 K CB 1.893 34.453 32.500 0.100 0.000 1.378 495 K HN -0.059 nan 8.250 nan 0.000 0.432 496 M N 1.197 120.755 119.600 -0.070 0.000 2.227 496 M HA 0.260 4.744 4.480 0.006 0.000 0.316 496 M C 0.615 176.726 176.300 -0.314 0.000 1.144 496 M CA 0.128 55.110 55.300 -0.530 0.000 1.121 496 M CB 0.555 32.726 32.600 -0.715 0.000 1.440 496 M HN 0.703 nan 8.290 nan 0.000 0.473 497 H N 0.130 118.970 119.070 -0.384 0.000 2.253 497 H HA 0.018 4.578 4.556 0.006 0.000 0.296 497 H C -0.098 175.043 175.328 -0.310 0.000 1.074 497 H CA 1.224 57.083 56.048 -0.315 0.000 1.263 497 H CB 0.162 29.498 29.762 -0.710 0.000 1.363 497 H HN 0.420 nan 8.280 nan 0.000 0.489 498 V N 2.078 121.821 119.914 -0.286 0.000 2.445 498 V HA 0.090 4.214 4.120 0.006 0.000 0.283 498 V C -1.796 174.134 176.094 -0.274 0.000 1.014 498 V CA -1.000 61.059 62.300 -0.402 0.000 0.852 498 V CB 2.073 33.331 31.823 -0.942 0.000 1.021 498 V HN 0.216 nan 8.190 nan 0.000 0.435 499 P HA -0.083 nan 4.420 nan 0.000 0.230 499 P C 1.296 178.665 177.300 0.115 0.000 1.158 499 P CA 1.135 64.280 63.100 0.075 0.000 0.769 499 P CB 0.299 32.083 31.700 0.140 0.000 0.807 500 S N -3.208 112.430 115.700 -0.103 0.000 2.558 500 S HA 0.013 4.487 4.470 0.006 0.000 0.217 500 S C 0.782 175.498 174.600 0.194 0.000 0.975 500 S CA -0.293 57.846 58.200 -0.102 0.000 0.912 500 S CB -0.804 62.200 63.200 -0.326 0.000 0.776 500 S HN -0.087 nan 8.310 nan 0.000 0.526 501 Y N 2.700 123.008 120.300 0.013 0.000 2.298 501 Y HA 0.490 5.044 4.550 0.006 0.000 0.329 501 Y C 1.958 177.886 175.900 0.046 0.000 1.293 501 Y CA -1.360 56.733 58.100 -0.012 0.000 1.388 501 Y CB 1.111 39.498 38.460 -0.122 0.000 1.309 501 Y HN 0.310 nan 8.280 nan 0.000 0.544 502 S N -1.333 114.465 115.700 0.162 0.000 2.641 502 S HA 0.271 4.745 4.470 0.006 0.000 0.239 502 S C 0.109 174.733 174.600 0.039 0.000 1.081 502 S CA 0.016 58.280 58.200 0.106 0.000 0.904 502 S CB 0.183 63.408 63.200 0.043 0.000 0.803 502 S HN 0.323 nan 8.310 nan 0.000 0.510 503 S N 0.654 116.329 115.700 -0.042 0.000 2.571 503 S HA 0.707 5.181 4.470 0.006 0.000 0.284 503 S C -0.314 174.192 174.600 -0.157 0.000 1.128 503 S CA -0.692 57.457 58.200 -0.085 0.000 0.970 503 S CB 1.694 64.848 63.200 -0.076 0.000 1.039 503 S HN 0.638 nan 8.310 nan 0.000 0.485 504 G N 1.005 109.710 108.800 -0.158 0.000 2.333 504 G HA2 0.425 4.389 3.960 0.006 0.000 0.290 504 G HA3 0.425 4.389 3.960 0.006 0.000 0.290 504 G C 0.800 175.606 174.900 -0.156 0.000 1.150 504 G CA -0.294 44.691 45.100 -0.191 0.000 0.895 504 G HN 0.744 nan 8.290 nan 0.000 0.444 505 T N -0.339 114.112 114.554 -0.172 0.000 2.990 505 T HA 0.468 4.822 4.350 0.006 0.000 0.250 505 T C 0.935 175.579 174.700 -0.093 0.000 1.041 505 T CA 0.434 62.463 62.100 -0.118 0.000 1.010 505 T CB 0.819 69.624 68.868 -0.105 0.000 1.003 505 T HN 1.008 nan 8.240 nan 0.000 0.499 506 G N 0.506 109.231 108.800 -0.125 0.000 2.755 506 G HA2 0.642 4.606 3.960 0.006 0.000 0.297 506 G HA3 0.642 4.606 3.960 0.006 0.000 0.297 506 G C -2.136 172.694 174.900 -0.117 0.000 1.441 506 G CA -0.763 44.285 45.100 -0.086 0.000 0.964 506 G HN 0.434 nan 8.290 nan 0.000 0.540 507 I N 0.852 121.395 120.570 -0.045 0.000 2.752 507 I HA 0.659 4.833 4.170 0.006 0.000 0.295 507 I C -2.079 174.074 176.117 0.060 0.000 1.219 507 I CA -0.683 60.606 61.300 -0.018 0.000 1.030 507 I CB 2.567 40.569 38.000 0.004 0.000 1.259 507 I HN 0.547 nan 8.210 nan 0.000 0.423 508 D N 4.169 124.619 120.400 0.084 0.000 2.583 508 D HA 0.474 5.118 4.640 0.006 0.000 0.248 508 D C -1.845 174.550 176.300 0.158 0.000 1.209 508 D CA -0.027 54.035 54.000 0.102 0.000 0.848 508 D CB 1.947 42.784 40.800 0.063 0.000 1.431 508 D HN 0.356 nan 8.370 nan 0.000 0.436 509 Y N -0.597 119.765 120.300 0.102 0.000 2.570 509 Y HA 0.827 5.381 4.550 0.006 0.000 0.345 509 Y C -0.694 175.307 175.900 0.168 0.000 1.014 509 Y CA -1.614 56.551 58.100 0.108 0.000 1.063 509 Y CB 1.105 39.611 38.460 0.076 0.000 1.272 509 Y HN 0.344 nan 8.280 nan 0.000 0.477 510 A N 2.317 125.339 122.820 0.337 0.000 2.396 510 A HA 0.232 4.556 4.320 0.006 0.000 0.279 510 A C 1.101 178.843 177.584 0.264 0.000 1.165 510 A CA -0.100 52.086 52.037 0.249 0.000 0.824 510 A CB 0.052 19.250 19.000 0.329 0.000 1.100 510 A HN 0.965 nan 8.150 nan 0.000 0.516 511 E N 2.580 122.835 120.200 0.092 0.000 2.070 511 E HA -0.193 4.160 4.350 0.006 0.000 0.197 511 E C 1.258 177.983 176.600 0.207 0.000 1.004 511 E CA 1.972 58.492 56.400 0.199 0.000 0.805 511 E CB -0.204 29.535 29.700 0.066 0.000 0.744 511 E HN 0.776 nan 8.360 nan 0.000 0.451 512 L N -0.683 120.614 121.223 0.124 0.000 2.558 512 L HA 0.146 4.490 4.340 0.006 0.000 0.225 512 L C 0.045 176.970 176.870 0.092 0.000 1.128 512 L CA -0.117 54.776 54.840 0.088 0.000 0.868 512 L CB 0.665 42.752 42.059 0.045 0.000 1.006 512 L HN -0.095 nan 8.230 nan 0.000 0.454 513 V N 0.695 120.690 119.914 0.134 0.000 2.384 513 V HA 0.199 4.323 4.120 0.006 0.000 0.257 513 V C -1.763 174.464 176.094 0.221 0.000 0.969 513 V CA -0.632 61.751 62.300 0.139 0.000 0.910 513 V CB 0.898 32.778 31.823 0.095 0.000 1.150 513 V HN -0.004 nan 8.190 nan 0.000 0.481 514 P HA -0.030 nan 4.420 nan 0.000 0.241 514 P C 1.106 178.474 177.300 0.113 0.000 1.191 514 P CA 0.674 63.892 63.100 0.198 0.000 0.771 514 P CB 0.162 31.899 31.700 0.062 0.000 0.929 515 N N -0.231 118.540 118.700 0.119 0.000 2.396 515 N HA -0.131 4.613 4.740 0.006 0.000 0.180 515 N C 0.183 175.775 175.510 0.136 0.000 1.028 515 N CA 0.122 53.227 53.050 0.092 0.000 0.893 515 N CB -0.696 37.852 38.487 0.101 0.000 0.967 515 N HN 0.121 nan 8.380 nan 0.000 0.440 516 F N 1.979 121.975 119.950 0.077 0.000 2.411 516 F HA 0.473 5.004 4.527 0.006 0.000 0.355 516 F C -0.208 175.659 175.800 0.112 0.000 1.117 516 F CA -0.704 57.350 58.000 0.089 0.000 1.139 516 F CB 0.656 39.723 39.000 0.111 0.000 1.120 516 F HN -0.167 nan 8.300 nan 0.000 0.493 517 M N 5.575 124.808 119.600 -0.612 0.000 2.550 517 M HA 0.677 5.161 4.480 0.006 0.000 0.292 517 M C -1.165 174.909 176.300 -0.376 0.000 1.221 517 M CA -1.045 54.050 55.300 -0.342 0.000 0.873 517 M CB 2.276 34.786 32.600 -0.149 0.000 1.727 517 M HN 0.583 nan 8.290 nan 0.000 0.459 518 A N 2.202 124.976 122.820 -0.076 0.000 2.355 518 A HA 0.900 5.224 4.320 0.006 0.000 0.317 518 A C -1.734 175.780 177.584 -0.118 0.000 1.094 518 A CA -0.609 51.388 52.037 -0.068 0.000 0.764 518 A CB 1.500 20.509 19.000 0.015 0.000 1.230 518 A HN 0.779 nan 8.150 nan 0.000 0.448 519 L N 3.473 124.480 121.223 -0.360 0.000 2.381 519 L HA 0.762 5.106 4.340 0.006 0.000 0.274 519 L C -0.510 175.982 176.870 -0.629 0.000 0.988 519 L CA -0.498 54.011 54.840 -0.551 0.000 0.824 519 L CB 2.010 43.436 42.059 -1.055 0.000 1.263 519 L HN 0.853 nan 8.230 nan 0.000 0.410 520 V N 2.441 122.009 119.914 -0.576 0.000 2.732 520 V HA 1.080 5.204 4.120 0.006 0.000 0.310 520 V C -0.146 175.628 176.094 -0.533 0.000 1.053 520 V CA 0.114 61.989 62.300 -0.709 0.000 0.957 520 V CB 1.032 32.363 31.823 -0.821 0.000 1.018 520 V HN 1.210 nan 8.190 nan 0.000 0.452 521 A N 2.981 125.438 122.820 -0.605 0.000 2.602 521 A HA 0.770 5.094 4.320 0.006 0.000 0.290 521 A C -0.801 176.510 177.584 -0.455 0.000 1.114 521 A CA -1.102 50.565 52.037 -0.618 0.000 0.683 521 A CB 1.652 19.960 19.000 -1.153 0.000 1.281 521 A HN 0.883 nan 8.150 nan 0.000 0.416 522 K N -0.041 120.161 120.400 -0.329 0.000 2.098 522 K HA 0.698 5.022 4.320 0.006 0.000 0.258 522 K C -0.482 175.997 176.600 -0.202 0.000 0.973 522 K CA -0.266 55.892 56.287 -0.215 0.000 0.898 522 K CB 2.024 34.442 32.500 -0.135 0.000 1.057 522 K HN 0.910 nan 8.250 nan 0.000 0.447 523 A N 2.469 125.229 122.820 -0.101 0.000 2.943 523 A HA 0.187 4.511 4.320 0.006 0.000 0.327 523 A C -0.332 177.250 177.584 -0.002 0.000 1.141 523 A CA -0.624 51.427 52.037 0.023 0.000 0.773 523 A CB 0.197 19.278 19.000 0.134 0.000 1.143 523 A HN 0.712 nan 8.150 nan 0.000 0.463 524 D N 0.986 121.363 120.400 -0.039 0.000 2.218 524 D HA -0.102 4.542 4.640 0.006 0.000 0.204 524 D C 1.524 177.733 176.300 -0.152 0.000 0.976 524 D CA 1.366 55.305 54.000 -0.101 0.000 0.853 524 D CB 0.300 41.024 40.800 -0.126 0.000 0.939 524 D HN 0.627 nan 8.370 nan 0.000 0.481 525 L N -1.810 119.316 121.223 -0.162 0.000 2.609 525 L HA 0.154 4.497 4.340 0.006 0.000 0.230 525 L C -0.174 176.327 176.870 -0.615 0.000 1.087 525 L CA 0.099 54.689 54.840 -0.416 0.000 0.874 525 L CB 0.374 42.116 42.059 -0.529 0.000 1.114 525 L HN -0.087 nan 8.230 nan 0.000 0.488 526 Y N -1.065 119.218 120.300 -0.029 0.000 2.477 526 Y HA 0.257 4.811 4.550 0.006 0.000 0.347 526 Y C -0.271 175.636 175.900 0.011 0.000 0.981 526 Y CA -1.237 56.859 58.100 -0.007 0.000 1.033 526 Y CB 1.543 40.008 38.460 0.010 0.000 1.245 526 Y HN -0.226 nan 8.280 nan 0.000 0.455 527 D N 2.728 123.231 120.400 0.171 0.000 2.551 527 D HA 0.190 4.834 4.640 0.006 0.000 0.223 527 D C -1.188 175.190 176.300 0.131 0.000 1.144 527 D CA 0.437 54.504 54.000 0.110 0.000 1.025 527 D CB 0.152 40.993 40.800 0.069 0.000 1.085 527 D HN 0.312 nan 8.370 nan 0.000 0.506 528 V N 2.750 122.757 119.914 0.156 0.000 2.864 528 V HA 0.385 4.509 4.120 0.006 0.000 0.314 528 V C -0.592 175.609 176.094 0.178 0.000 1.073 528 V CA -0.905 61.490 62.300 0.158 0.000 0.956 528 V CB 1.989 33.908 31.823 0.160 0.000 1.023 528 V HN 0.112 nan 8.190 nan 0.000 0.435 529 K N 4.218 124.720 120.400 0.171 0.000 2.412 529 K HA 0.232 4.556 4.320 0.006 0.000 0.281 529 K C 0.244 176.963 176.600 0.198 0.000 1.027 529 K CA 0.218 56.612 56.287 0.178 0.000 0.989 529 K CB 0.551 33.162 32.500 0.186 0.000 0.935 529 K HN 0.581 nan 8.250 nan 0.000 0.475 530 K N 1.779 122.254 120.400 0.125 0.000 2.446 530 K HA 0.221 4.544 4.320 0.006 0.000 0.203 530 K C 0.386 176.659 176.600 -0.545 0.000 1.027 530 K CA -0.044 56.154 56.287 -0.149 0.000 1.166 530 K CB 0.147 32.605 32.500 -0.072 0.000 0.869 530 K HN 0.464 nan 8.250 nan 0.000 0.504 531 I N 0.041 120.280 120.570 -0.552 0.000 2.530 531 I HA 0.219 4.393 4.170 0.006 0.000 0.297 531 I C -1.068 174.736 176.117 -0.521 0.000 1.011 531 I CA -0.445 60.339 61.300 -0.859 0.000 1.107 531 I CB 1.924 39.212 38.000 -1.187 0.000 1.285 531 I HN -0.123 nan 8.210 nan 0.000 0.436 532 S N 5.594 120.916 115.700 -0.630 0.000 2.568 532 S HA 0.664 5.137 4.470 0.006 0.000 0.293 532 S C -1.102 173.086 174.600 -0.687 0.000 1.089 532 S CA -0.388 57.505 58.200 -0.512 0.000 0.945 532 S CB 1.510 64.540 63.200 -0.282 0.000 1.077 532 S HN 0.406 nan 8.310 nan 0.000 0.485 533 F N 1.041 120.749 119.950 -0.403 0.000 2.522 533 F HA 0.694 5.225 4.527 0.006 0.000 0.324 533 F C 0.602 175.894 175.800 -0.848 0.000 1.077 533 F CA -0.636 56.987 58.000 -0.629 0.000 0.944 533 F CB 1.982 40.520 39.000 -0.770 0.000 1.175 533 F HN 0.477 nan 8.300 nan 0.000 0.468 534 S N 1.213 116.461 115.700 -0.753 0.000 2.526 534 S HA 0.433 4.907 4.470 0.006 0.000 0.293 534 S C -0.486 173.842 174.600 -0.454 0.000 1.092 534 S CA -0.533 57.087 58.200 -0.968 0.000 0.980 534 S CB 0.700 62.830 63.200 -1.783 0.000 1.048 534 S HN 0.642 nan 8.310 nan 0.000 0.483 535 Y N 1.289 121.550 120.300 -0.064 0.000 2.557 535 Y HA 0.460 5.014 4.550 0.006 0.000 0.247 535 Y C 0.343 176.234 175.900 -0.015 0.000 1.164 535 Y CA -0.612 57.537 58.100 0.082 0.000 1.218 535 Y CB 0.089 38.679 38.460 0.217 0.000 1.210 535 Y HN 0.517 nan 8.280 nan 0.000 0.529 536 D N 0.072 120.481 120.400 0.015 0.000 2.891 536 D HA 0.257 4.901 4.640 0.006 0.000 0.312 536 D C 1.305 177.536 176.300 -0.116 0.000 1.354 536 D CA -0.301 53.699 54.000 0.000 0.000 0.838 536 D CB 0.287 41.104 40.800 0.029 0.000 1.117 536 D HN 0.431 nan 8.370 nan 0.000 0.473 537 G N -0.207 108.506 108.800 -0.145 0.000 2.160 537 G HA2 -0.040 3.924 3.960 0.006 0.000 0.251 537 G HA3 -0.040 3.924 3.960 0.006 0.000 0.251 537 G C 1.119 175.893 174.900 -0.209 0.000 1.008 537 G CA 0.331 45.345 45.100 -0.143 0.000 0.724 537 G HN 1.493 nan 8.290 nan 0.000 0.514 538 G N -1.499 107.023 108.800 -0.464 0.000 2.141 538 G HA2 -0.254 3.710 3.960 0.006 0.000 0.231 538 G HA3 -0.254 3.710 3.960 0.006 0.000 0.231 538 G C 1.134 175.837 174.900 -0.328 0.000 0.984 538 G CA 1.094 45.847 45.100 -0.579 0.000 0.660 538 G HN 0.925 nan 8.290 nan 0.000 0.525 539 R N -0.298 120.019 120.500 -0.306 0.000 2.062 539 R HA 0.107 4.451 4.340 0.006 0.000 0.226 539 R C 0.527 176.750 176.300 -0.128 0.000 1.125 539 R CA 0.910 56.948 56.100 -0.104 0.000 0.966 539 R CB -0.058 30.200 30.300 -0.071 0.000 0.861 539 R HN 0.389 nan 8.270 nan 0.000 0.433 540 N N -0.365 118.131 118.700 -0.339 0.000 2.272 540 N HA 0.210 4.953 4.740 0.006 0.000 0.305 540 N C -1.441 173.743 175.510 -0.543 0.000 1.103 540 N CA -0.355 52.545 53.050 -0.249 0.000 0.791 540 N CB 1.829 40.244 38.487 -0.119 0.000 1.356 540 N HN -0.035 nan 8.380 nan 0.000 0.486 541 W N 1.476 122.689 121.300 -0.144 0.000 2.844 541 W HA 0.532 5.196 4.660 0.006 0.000 0.340 541 W C -0.448 176.018 176.519 -0.088 0.000 1.093 541 W CA -0.776 56.434 57.345 -0.225 0.000 1.212 541 W CB 1.052 30.340 29.460 -0.287 0.000 1.422 541 W HN 0.368 nan 8.180 nan 0.000 0.515 542 F N -0.089 119.915 119.950 0.089 0.000 2.603 542 F HA 0.796 5.327 4.527 0.006 0.000 0.317 542 F C -0.748 175.127 175.800 0.124 0.000 1.066 542 F CA -1.630 56.415 58.000 0.076 0.000 0.941 542 F CB 1.270 40.305 39.000 0.059 0.000 1.291 542 F HN 0.212 nan 8.300 nan 0.000 0.472 543 Q N 2.970 122.936 119.800 0.276 0.000 2.274 543 Q HA 0.547 4.891 4.340 0.006 0.000 0.260 543 Q C -2.494 173.735 176.000 0.381 0.000 0.974 543 Q CA -1.847 54.074 55.803 0.198 0.000 0.876 543 Q CB 1.492 30.304 28.738 0.123 0.000 1.297 543 Q HN 0.497 nan 8.270 nan 0.000 0.446 544 P HA 0.185 nan 4.420 nan 0.000 0.276 544 P C -2.117 175.384 177.300 0.335 0.000 1.261 544 P CA -1.344 62.030 63.100 0.456 0.000 0.800 544 P CB 0.605 32.662 31.700 0.596 0.000 1.066 545 P HA -0.051 nan 4.420 nan 0.000 0.221 545 P C 0.038 177.486 177.300 0.248 0.000 1.150 545 P CA 1.365 64.599 63.100 0.225 0.000 0.800 545 P CB 0.332 32.139 31.700 0.178 0.000 0.787 546 N N -0.160 118.752 118.700 0.353 0.000 2.312 546 N HA 0.283 5.027 4.740 0.006 0.000 0.296 546 N C -0.459 175.359 175.510 0.512 0.000 1.193 546 N CA -0.508 52.774 53.050 0.387 0.000 0.773 546 N CB 2.246 40.981 38.487 0.414 0.000 1.435 546 N HN -0.004 nan 8.380 nan 0.000 0.484 547 E N 0.217 120.522 120.200 0.175 0.000 2.235 547 E HA 0.620 4.974 4.350 0.006 0.000 0.265 547 E C -0.470 175.585 176.600 -0.909 0.000 0.940 547 E CA -1.003 55.301 56.400 -0.160 0.000 0.819 547 E CB 1.814 31.465 29.700 -0.081 0.000 1.206 547 E HN 0.623 nan 8.360 nan 0.000 0.409 548 A N 2.704 124.513 122.820 -1.685 0.000 2.520 548 A HA 0.191 4.515 4.320 0.006 0.000 0.235 548 A C -2.193 174.888 177.584 -0.837 0.000 1.065 548 A CA -0.905 50.349 52.037 -1.304 0.000 0.764 548 A CB -0.532 17.647 19.000 -1.368 0.000 1.002 548 A HN 0.295 nan 8.150 nan 0.000 0.502 549 P HA 0.062 nan 4.420 nan 0.000 0.261 549 P C -0.569 176.440 177.300 -0.485 0.000 1.183 549 P CA 0.461 63.331 63.100 -0.383 0.000 0.761 549 P CB 0.237 31.783 31.700 -0.256 0.000 0.785 550 N N 0.337 118.790 118.700 -0.411 0.000 3.046 550 N HA 0.163 4.907 4.740 0.006 0.000 0.243 550 N C -0.078 175.280 175.510 -0.254 0.000 1.452 550 N CA -0.652 52.157 53.050 -0.403 0.000 0.882 550 N CB 0.940 39.079 38.487 -0.580 0.000 1.425 550 N HN 0.227 nan 8.380 nan 0.000 0.517 551 S N -1.200 114.373 115.700 -0.210 0.000 2.566 551 S HA 0.095 4.569 4.470 0.006 0.000 0.234 551 S C 1.258 175.783 174.600 -0.126 0.000 1.075 551 S CA 0.977 59.090 58.200 -0.146 0.000 0.926 551 S CB -0.532 62.595 63.200 -0.122 0.000 0.811 551 S HN 0.816 nan 8.310 nan 0.000 0.518 552 V N -1.954 117.880 119.914 -0.132 0.000 3.276 552 V HA 0.718 4.841 4.120 0.006 0.000 0.319 552 V C 1.103 177.144 176.094 -0.087 0.000 1.476 552 V CA -0.299 61.939 62.300 -0.103 0.000 1.097 552 V CB -0.642 31.122 31.823 -0.098 0.000 0.988 552 V HN 0.813 nan 8.190 nan 0.000 0.473 553 G N 1.250 109.995 108.800 -0.091 0.000 2.556 553 G HA2 0.180 4.144 3.960 0.006 0.000 0.283 553 G HA3 0.180 4.144 3.960 0.006 0.000 0.283 553 G C 1.170 176.109 174.900 0.066 0.000 1.177 553 G CA 0.697 45.831 45.100 0.057 0.000 0.978 553 G HN 2.422 nan 8.290 nan 0.000 0.554 554 G N -1.315 107.535 108.800 0.082 0.000 2.575 554 G HA2 0.407 4.371 3.960 0.006 0.000 0.267 554 G HA3 0.407 4.371 3.960 0.006 0.000 0.267 554 G C 1.422 176.408 174.900 0.143 0.000 1.264 554 G CA 1.636 46.748 45.100 0.019 0.000 0.935 554 G HN 3.304 nan 8.290 nan 0.000 0.568 555 G N -1.889 106.937 108.800 0.043 0.000 2.525 555 G HA2 0.349 4.312 3.960 0.006 0.000 0.248 555 G HA3 0.349 4.312 3.960 0.006 0.000 0.248 555 G C 0.554 175.502 174.900 0.079 0.000 1.238 555 G CA 1.763 46.900 45.100 0.061 0.000 0.926 555 G HN 2.923 nan 8.290 nan 0.000 0.574 556 S N -2.061 113.715 115.700 0.128 0.000 2.671 556 S HA 0.844 5.318 4.470 0.006 0.000 0.299 556 S C -0.768 173.923 174.600 0.150 0.000 1.116 556 S CA 0.110 58.367 58.200 0.095 0.000 0.912 556 S CB 2.225 65.473 63.200 0.080 0.000 1.130 556 S HN 2.247 nan 8.310 nan 0.000 0.501 557 V N -0.132 119.839 119.914 0.095 0.000 2.888 557 V HA 0.851 4.974 4.120 0.006 0.000 0.309 557 V C -1.177 175.017 176.094 0.167 0.000 1.114 557 V CA -0.214 62.156 62.300 0.115 0.000 0.940 557 V CB 1.781 33.580 31.823 -0.039 0.000 1.021 557 V HN 1.584 nan 8.190 nan 0.000 0.426 558 A N 5.265 128.240 122.820 0.259 0.000 2.374 558 A HA 0.862 5.186 4.320 0.006 0.000 0.305 558 A C -1.381 176.459 177.584 0.428 0.000 1.053 558 A CA -0.503 51.734 52.037 0.332 0.000 0.726 558 A CB 1.907 21.182 19.000 0.458 0.000 1.229 558 A HN 0.986 nan 8.150 nan 0.000 0.431 559 V N 2.158 122.258 119.914 0.309 0.000 2.417 559 V HA 0.626 4.750 4.120 0.006 0.000 0.291 559 V C 0.881 177.097 176.094 0.204 0.000 1.024 559 V CA -0.395 62.107 62.300 0.336 0.000 0.861 559 V CB 1.371 33.372 31.823 0.296 0.000 0.985 559 V HN 1.270 nan 8.190 nan 0.000 0.436 560 A N 3.751 126.745 122.820 0.291 0.000 2.531 560 A HA 0.508 4.832 4.320 0.006 0.000 0.236 560 A C 1.675 179.253 177.584 -0.010 0.000 1.062 560 A CA 0.510 52.564 52.037 0.028 0.000 0.760 560 A CB 0.227 19.352 19.000 0.210 0.000 0.995 560 A HN 1.468 nan 8.150 nan 0.000 0.501 561 A N 1.661 124.423 122.820 -0.097 0.000 1.958 561 A HA -0.204 4.119 4.320 0.006 0.000 0.221 561 A C 1.353 178.941 177.584 0.006 0.000 1.178 561 A CA 2.249 54.262 52.037 -0.040 0.000 0.642 561 A CB -0.573 18.395 19.000 -0.052 0.000 0.816 561 A HN 0.947 nan 8.150 nan 0.000 0.453 562 D N -2.613 117.783 120.400 -0.006 0.000 2.342 562 D HA 0.440 5.084 4.640 0.006 0.000 0.221 562 D C 0.712 176.979 176.300 -0.055 0.000 1.101 562 D CA 0.668 54.657 54.000 -0.017 0.000 0.837 562 D CB -0.272 40.514 40.800 -0.025 0.000 0.938 562 D HN 1.046 nan 8.370 nan 0.000 0.508 563 A N 0.068 122.865 122.820 -0.038 0.000 2.979 563 A HA -0.352 3.972 4.320 0.006 0.000 0.260 563 A C 1.480 178.909 177.584 -0.259 0.000 1.282 563 A CA 1.595 53.516 52.037 -0.193 0.000 0.971 563 A CB -2.514 16.204 19.000 -0.469 0.000 1.124 563 A HN 0.379 nan 8.150 nan 0.000 0.826 564 K N -0.080 120.259 120.400 -0.101 0.000 2.305 564 K HA 0.113 4.436 4.320 0.006 0.000 0.199 564 K C 0.815 177.389 176.600 -0.043 0.000 1.047 564 K CA 1.071 57.303 56.287 -0.093 0.000 0.976 564 K CB 0.066 32.536 32.500 -0.051 0.000 0.765 564 K HN 1.060 nan 8.250 nan 0.000 0.474 565 S N -0.758 114.983 115.700 0.069 0.000 2.588 565 S HA 0.581 5.055 4.470 0.006 0.000 0.275 565 S C -0.829 173.919 174.600 0.247 0.000 1.130 565 S CA -1.007 57.251 58.200 0.096 0.000 0.855 565 S CB 2.304 65.542 63.200 0.062 0.000 1.116 565 S HN -0.176 nan 8.310 nan 0.000 0.472 566 V N 1.922 121.950 119.914 0.190 0.000 2.623 566 V HA 0.498 4.622 4.120 0.006 0.000 0.304 566 V C -0.866 175.400 176.094 0.286 0.000 1.054 566 V CA -0.606 61.895 62.300 0.336 0.000 0.882 566 V CB 1.531 33.643 31.823 0.482 0.000 1.002 566 V HN 0.930 nan 8.190 nan 0.000 0.424 567 I N 4.055 124.789 120.570 0.273 0.000 2.321 567 I HA 0.356 4.529 4.170 0.006 0.000 0.291 567 I C -0.976 175.376 176.117 0.392 0.000 0.998 567 I CA -0.264 61.187 61.300 0.252 0.000 1.227 567 I CB 1.361 39.380 38.000 0.032 0.000 1.368 567 I HN 0.650 nan 8.210 nan 0.000 0.466 568 W N 6.886 128.314 121.300 0.213 0.000 2.376 568 W HA 0.431 5.095 4.660 0.006 0.000 0.312 568 W C -0.738 175.746 176.519 -0.059 0.000 1.060 568 W CA -1.079 56.294 57.345 0.047 0.000 1.221 568 W CB 1.527 30.938 29.460 -0.082 0.000 1.281 568 W HN 0.310 nan 8.180 nan 0.000 0.456 569 T N 8.635 123.339 114.554 0.250 0.000 3.149 569 T HA 0.275 4.629 4.350 0.006 0.000 0.373 569 T C -2.465 172.187 174.700 -0.080 0.000 1.364 569 T CA -1.202 60.879 62.100 -0.032 0.000 1.110 569 T CB 0.783 69.638 68.868 -0.021 0.000 1.127 569 T HN 0.074 nan 8.240 nan 0.000 0.576 570 P HA 0.132 nan 4.420 nan 0.000 0.272 570 P C 0.160 177.337 177.300 -0.206 0.000 1.230 570 P CA -0.580 62.292 63.100 -0.380 0.000 0.788 570 P CB 0.562 31.757 31.700 -0.843 0.000 0.949 571 E N 2.399 122.525 120.200 -0.122 0.000 2.652 571 E HA -0.145 4.209 4.350 0.006 0.000 0.255 571 E C -0.011 176.508 176.600 -0.135 0.000 0.952 571 E CA 0.273 56.608 56.400 -0.107 0.000 0.947 571 E CB -0.538 29.107 29.700 -0.091 0.000 0.912 571 E HN 0.344 nan 8.360 nan 0.000 0.489 572 N N 0.992 119.624 118.700 -0.113 0.000 2.725 572 N HA -0.236 4.508 4.740 0.006 0.000 0.249 572 N C -1.181 174.246 175.510 -0.138 0.000 1.103 572 N CA 1.210 54.196 53.050 -0.107 0.000 0.707 572 N CB -1.286 37.145 38.487 -0.093 0.000 1.043 572 N HN 0.496 nan 8.380 nan 0.000 0.553 573 A N -1.186 121.530 122.820 -0.174 0.000 2.569 573 A HA 0.787 5.111 4.320 0.006 0.000 0.290 573 A C -0.076 177.372 177.584 -0.227 0.000 1.136 573 A CA -0.386 51.521 52.037 -0.217 0.000 0.710 573 A CB 1.257 20.074 19.000 -0.304 0.000 1.303 573 A HN 0.032 nan 8.150 nan 0.000 0.413 574 S N 1.429 116.983 115.700 -0.243 0.000 2.601 574 S HA 0.530 5.004 4.470 0.006 0.000 0.271 574 S C -2.512 171.923 174.600 -0.274 0.000 1.305 574 S CA -0.703 57.336 58.200 -0.268 0.000 1.022 574 S CB 0.491 63.539 63.200 -0.253 0.000 0.940 574 S HN 0.509 nan 8.310 nan 0.000 0.525 575 P HA 0.278 nan 4.420 nan 0.000 0.265 575 P C -1.314 175.901 177.300 -0.142 0.000 1.193 575 P CA 0.034 63.009 63.100 -0.209 0.000 0.765 575 P CB 0.376 31.905 31.700 -0.284 0.000 0.823 576 A N 2.883 125.685 122.820 -0.030 0.000 2.414 576 A HA 0.625 4.949 4.320 0.006 0.000 0.306 576 A C -1.134 176.664 177.584 0.357 0.000 1.054 576 A CA -0.755 51.353 52.037 0.119 0.000 0.724 576 A CB 1.648 20.700 19.000 0.087 0.000 1.267 576 A HN 0.413 nan 8.150 nan 0.000 0.418 577 V N 1.104 121.195 119.914 0.294 0.000 2.581 577 V HA 0.806 4.929 4.120 0.006 0.000 0.303 577 V C -0.029 176.096 176.094 0.052 0.000 1.041 577 V CA 0.095 62.502 62.300 0.179 0.000 0.907 577 V CB 1.912 33.723 31.823 -0.021 0.000 0.994 577 V HN 1.114 nan 8.190 nan 0.000 0.442 578 T N 2.758 117.171 114.554 -0.236 0.000 2.829 578 T HA 0.482 4.836 4.350 0.006 0.000 0.280 578 T C 0.512 175.046 174.700 -0.277 0.000 0.999 578 T CA 0.210 61.988 62.100 -0.538 0.000 0.983 578 T CB 1.288 69.396 68.868 -1.266 0.000 0.968 578 T HN 1.001 nan 8.240 nan 0.000 0.446 579 T N 0.225 114.640 114.554 -0.232 0.000 3.174 579 T HA 0.326 4.680 4.350 0.006 0.000 0.269 579 T C 0.171 174.764 174.700 -0.179 0.000 1.017 579 T CA -0.313 61.690 62.100 -0.161 0.000 0.899 579 T CB 0.105 68.908 68.868 -0.108 0.000 1.077 579 T HN 0.440 nan 8.240 nan 0.000 0.552 580 D N 1.184 121.440 120.400 -0.241 0.000 2.503 580 D HA 0.227 4.871 4.640 0.006 0.000 0.218 580 D C 0.174 176.354 176.300 -0.199 0.000 1.183 580 D CA -0.272 53.609 54.000 -0.198 0.000 0.827 580 D CB 0.021 40.705 40.800 -0.194 0.000 1.034 580 D HN 0.097 nan 8.370 nan 0.000 0.510 581 N N 0.347 118.860 118.700 -0.311 0.000 2.721 581 N HA -0.189 4.555 4.740 0.006 0.000 0.249 581 N C 0.994 176.432 175.510 -0.121 0.000 1.072 581 N CA 1.286 54.045 53.050 -0.484 0.000 0.710 581 N CB -1.219 37.103 38.487 -0.275 0.000 0.993 581 N HN 0.361 nan 8.380 nan 0.000 0.547 582 G N -1.677 107.012 108.800 -0.184 0.000 2.159 582 G HA2 -0.384 3.579 3.960 0.006 0.000 0.256 582 G HA3 -0.384 3.579 3.960 0.006 0.000 0.256 582 G C 1.045 176.003 174.900 0.096 0.000 0.977 582 G CA 0.423 45.522 45.100 -0.002 0.000 0.652 582 G HN 0.480 nan 8.290 nan 0.000 0.531 583 N N 0.459 119.153 118.700 -0.009 0.000 2.166 583 N HA 0.013 4.757 4.740 0.006 0.000 0.186 583 N C 1.405 176.933 175.510 0.030 0.000 1.019 583 N CA 1.686 54.764 53.050 0.046 0.000 0.856 583 N CB -0.077 38.417 38.487 0.012 0.000 0.993 583 N HN 1.036 nan 8.380 nan 0.000 0.426 584 S N -1.574 114.053 115.700 -0.122 0.000 2.595 584 S HA 0.651 5.125 4.470 0.006 0.000 0.281 584 S C -1.642 172.792 174.600 -0.276 0.000 1.117 584 S CA -0.964 57.201 58.200 -0.059 0.000 0.873 584 S CB 1.556 64.741 63.200 -0.025 0.000 1.108 584 S HN 0.207 nan 8.310 nan 0.000 0.477 585 W N 0.525 121.862 121.300 0.061 0.000 2.915 585 W HA 0.689 5.353 4.660 0.006 0.000 0.337 585 W C -0.285 176.243 176.519 0.015 0.000 1.102 585 W CA -0.552 56.824 57.345 0.053 0.000 1.224 585 W CB 2.136 31.632 29.460 0.059 0.000 1.416 585 W HN 0.759 nan 8.180 nan 0.000 0.503 586 K N 1.880 122.419 120.400 0.232 0.000 2.397 586 K HA 0.569 4.893 4.320 0.006 0.000 0.253 586 K C -0.958 175.704 176.600 0.104 0.000 0.932 586 K CA -0.732 55.628 56.287 0.122 0.000 0.795 586 K CB 1.838 34.373 32.500 0.057 0.000 1.159 586 K HN 0.329 nan 8.250 nan 0.000 0.424 587 V N 3.963 123.904 119.914 0.045 0.000 2.599 587 V HA -0.046 4.077 4.120 0.006 0.000 0.300 587 V C 0.164 176.246 176.094 -0.019 0.000 1.034 587 V CA -0.462 61.829 62.300 -0.014 0.000 1.115 587 V CB 0.281 32.069 31.823 -0.058 0.000 0.934 587 V HN 0.846 nan 8.190 nan 0.000 0.485 588 C N 5.132 124.404 119.300 -0.046 0.000 2.648 588 C HA 0.303 4.767 4.460 0.006 0.000 0.415 588 C C 1.344 176.299 174.990 -0.059 0.000 1.366 588 C CA -0.524 58.486 59.018 -0.014 0.000 1.756 588 C CB -0.815 26.883 27.740 -0.070 0.000 2.549 588 C HN 1.026 nan 8.230 nan 0.000 0.597 589 T N 1.005 115.577 114.554 0.030 0.000 2.930 589 T HA 0.202 4.556 4.350 0.006 0.000 0.306 589 T C 0.567 175.250 174.700 -0.029 0.000 1.045 589 T CA 0.104 62.207 62.100 0.004 0.000 1.134 589 T CB -0.020 68.875 68.868 0.045 0.000 0.961 589 T HN 0.902 nan 8.240 nan 0.000 0.545 590 N N -0.165 118.485 118.700 -0.084 0.000 2.936 590 N HA -0.148 4.596 4.740 0.006 0.000 0.236 590 N C -0.199 175.039 175.510 -0.454 0.000 0.930 590 N CA 1.018 53.996 53.050 -0.120 0.000 0.966 590 N CB -1.366 37.163 38.487 0.070 0.000 1.090 590 N HN 0.614 nan 8.380 nan 0.000 0.592 591 L N -0.603 120.242 121.223 -0.631 0.000 2.397 591 L HA 0.847 5.191 4.340 0.006 0.000 0.266 591 L C 1.156 177.379 176.870 -1.079 0.000 1.040 591 L CA -0.411 53.754 54.840 -1.126 0.000 0.800 591 L CB 1.294 42.731 42.059 -1.035 0.000 1.324 591 L HN 0.149 nan 8.230 nan 0.000 0.469 592 G N -0.535 107.389 108.800 -1.461 0.000 2.489 592 G HA2 0.273 4.237 3.960 0.006 0.000 0.305 592 G HA3 0.273 4.237 3.960 0.006 0.000 0.305 592 G C -1.479 173.170 174.900 -0.418 0.000 1.311 592 G CA -0.850 43.815 45.100 -0.725 0.000 0.813 592 G HN 0.403 nan 8.290 nan 0.000 0.480 593 M N 1.175 120.702 119.600 -0.121 0.000 2.261 593 M HA 0.351 4.835 4.480 0.006 0.000 0.350 593 M C 1.450 177.787 176.300 0.062 0.000 1.343 593 M CA 2.468 57.738 55.300 -0.051 0.000 1.003 593 M CB 0.050 32.632 32.600 -0.030 0.000 1.848 593 M HN 2.085 nan 8.290 nan 0.000 0.456 594 G N 2.846 111.655 108.800 0.014 0.000 2.175 594 G HA2 -0.206 3.758 3.960 0.006 0.000 0.244 594 G HA3 -0.206 3.758 3.960 0.006 0.000 0.244 594 G C 0.153 175.122 174.900 0.114 0.000 0.982 594 G CA 0.081 45.221 45.100 0.066 0.000 0.641 594 G HN 1.217 nan 8.290 nan 0.000 0.527 595 A N -0.066 122.788 122.820 0.057 0.000 2.511 595 A HA 0.556 4.880 4.320 0.006 0.000 0.242 595 A C 0.545 178.145 177.584 0.027 0.000 1.069 595 A CA 0.764 52.815 52.037 0.023 0.000 0.763 595 A CB 0.710 19.514 19.000 -0.327 0.000 1.001 595 A HN 1.192 nan 8.150 nan 0.000 0.498 596 V N 4.438 124.417 119.914 0.108 0.000 2.328 596 V HA 0.336 4.460 4.120 0.006 0.000 0.278 596 V C -0.081 176.094 176.094 0.136 0.000 1.021 596 V CA -0.358 62.017 62.300 0.125 0.000 0.838 596 V CB 0.920 32.839 31.823 0.160 0.000 0.999 596 V HN 0.620 nan 8.190 nan 0.000 0.447 597 V N 4.052 124.039 119.914 0.122 0.000 2.581 597 V HA 0.936 5.060 4.120 0.006 0.000 0.303 597 V C 0.286 176.547 176.094 0.279 0.000 1.041 597 V CA -0.312 62.091 62.300 0.173 0.000 0.907 597 V CB 1.772 33.656 31.823 0.103 0.000 0.994 597 V HN 0.979 nan 8.190 nan 0.000 0.442 598 A N 2.846 125.898 122.820 0.388 0.000 2.539 598 A HA 0.855 5.178 4.320 0.006 0.000 0.296 598 A C -0.287 177.534 177.584 0.395 0.000 1.073 598 A CA -0.433 51.837 52.037 0.389 0.000 0.700 598 A CB 1.973 21.212 19.000 0.399 0.000 1.296 598 A HN 1.016 nan 8.150 nan 0.000 0.405 599 S N 0.637 116.445 115.700 0.179 0.000 2.585 599 S HA 0.529 5.003 4.470 0.006 0.000 0.277 599 S C -0.271 174.302 174.600 -0.045 0.000 1.241 599 S CA -0.388 57.648 58.200 -0.273 0.000 1.041 599 S CB 1.110 64.006 63.200 -0.507 0.000 0.987 599 S HN 0.734 nan 8.310 nan 0.000 0.512 600 D N -0.077 120.232 120.400 -0.151 0.000 2.399 600 D HA 0.166 4.810 4.640 0.006 0.000 0.241 600 D C 1.060 177.347 176.300 -0.021 0.000 1.133 600 D CA -0.321 53.742 54.000 0.104 0.000 0.890 600 D CB 0.654 41.497 40.800 0.072 0.000 1.201 600 D HN 0.408 nan 8.370 nan 0.000 0.432 601 R N 2.523 123.048 120.500 0.042 0.000 2.334 601 R HA 0.094 4.437 4.340 0.006 0.000 0.216 601 R C 0.634 176.934 176.300 -0.001 0.000 0.905 601 R CA 0.180 56.280 56.100 0.001 0.000 1.064 601 R CB 0.276 30.588 30.300 0.020 0.000 1.046 601 R HN 0.345 nan 8.270 nan 0.000 0.508 602 V N -0.005 119.912 119.914 0.004 0.000 2.948 602 V HA 0.093 4.217 4.120 0.006 0.000 0.234 602 V C 0.464 176.555 176.094 -0.006 0.000 1.205 602 V CA 0.170 62.471 62.300 0.002 0.000 1.234 602 V CB 0.060 31.889 31.823 0.009 0.000 1.020 602 V HN 0.115 nan 8.190 nan 0.000 0.491 603 N N 1.407 120.101 118.700 -0.009 0.000 2.501 603 N HA 0.257 5.000 4.740 0.006 0.000 0.245 603 N C 1.024 176.492 175.510 -0.070 0.000 0.974 603 N CA 0.458 53.495 53.050 -0.021 0.000 0.941 603 N CB 1.545 40.034 38.487 0.004 0.000 1.122 603 N HN 0.247 nan 8.380 nan 0.000 0.507 604 G N 2.818 111.584 108.800 -0.055 0.000 2.501 604 G HA2 -0.209 3.754 3.960 0.006 0.000 0.220 604 G HA3 -0.209 3.754 3.960 0.006 0.000 0.220 604 G C 1.313 176.206 174.900 -0.012 0.000 1.114 604 G CA 0.589 45.654 45.100 -0.058 0.000 0.757 604 G HN 0.467 nan 8.290 nan 0.000 0.559 605 K N 0.189 120.584 120.400 -0.009 0.000 2.365 605 K HA 0.094 4.418 4.320 0.006 0.000 0.197 605 K C 0.687 177.298 176.600 0.018 0.000 1.042 605 K CA 0.365 56.670 56.287 0.029 0.000 0.987 605 K CB 0.236 32.740 32.500 0.006 0.000 0.779 605 K HN 0.275 nan 8.250 nan 0.000 0.484 606 K N 0.383 120.718 120.400 -0.108 0.000 2.213 606 K HA 0.353 4.677 4.320 0.006 0.000 0.270 606 K C -0.726 175.571 176.600 -0.505 0.000 1.002 606 K CA -0.322 55.816 56.287 -0.249 0.000 0.868 606 K CB 0.966 33.333 32.500 -0.221 0.000 1.093 606 K HN -0.221 nan 8.250 nan 0.000 0.454 607 F N 1.381 121.017 119.950 -0.524 0.000 2.603 607 F HA 0.457 4.988 4.527 0.006 0.000 0.317 607 F C -0.719 174.792 175.800 -0.482 0.000 1.066 607 F CA -0.858 56.922 58.000 -0.367 0.000 0.941 607 F CB 1.480 40.470 39.000 -0.016 0.000 1.291 607 F HN 0.345 nan 8.300 nan 0.000 0.472 608 Y N 0.626 121.233 120.300 0.512 0.000 2.545 608 Y HA 0.801 5.354 4.550 0.006 0.000 0.348 608 Y C -0.410 175.627 175.900 0.229 0.000 1.002 608 Y CA -1.453 56.849 58.100 0.337 0.000 1.039 608 Y CB 2.071 40.767 38.460 0.393 0.000 1.271 608 Y HN 0.661 nan 8.280 nan 0.000 0.467 609 A N 1.965 124.798 122.820 0.022 0.000 2.520 609 A HA 0.693 5.017 4.320 0.006 0.000 0.298 609 A C -2.270 175.236 177.584 -0.131 0.000 1.051 609 A CA -0.610 51.387 52.037 -0.067 0.000 0.690 609 A CB 0.974 19.776 19.000 -0.332 0.000 1.281 609 A HN 0.648 nan 8.150 nan 0.000 0.402 610 F N 2.423 122.363 119.950 -0.016 0.000 2.404 610 F HA 0.671 5.202 4.527 0.006 0.000 0.354 610 F C -1.056 174.839 175.800 0.158 0.000 1.122 610 F CA -0.164 57.902 58.000 0.109 0.000 1.080 610 F CB 1.132 40.211 39.000 0.132 0.000 1.131 610 F HN 0.609 nan 8.300 nan 0.000 0.471 611 Y N 6.290 126.472 120.300 -0.196 0.000 2.362 611 Y HA 0.275 4.828 4.550 0.006 0.000 0.326 611 Y C -0.327 175.494 175.900 -0.132 0.000 1.083 611 Y CA -1.642 56.382 58.100 -0.126 0.000 1.073 611 Y CB 0.703 38.986 38.460 -0.295 0.000 1.211 611 Y HN 0.679 nan 8.280 nan 0.000 0.433 612 N N 4.373 122.746 118.700 -0.545 0.000 2.699 612 N HA -0.191 4.552 4.740 0.006 0.000 0.256 612 N C 0.960 176.272 175.510 -0.330 0.000 0.993 612 N CA 1.964 54.716 53.050 -0.497 0.000 0.759 612 N CB -1.091 36.925 38.487 -0.786 0.000 0.906 612 N HN 1.563 nan 8.380 nan 0.000 0.541 613 G N -1.628 106.992 108.800 -0.299 0.000 2.162 613 G HA2 -0.355 3.608 3.960 0.006 0.000 0.260 613 G HA3 -0.355 3.608 3.960 0.006 0.000 0.260 613 G C 0.054 174.633 174.900 -0.535 0.000 0.976 613 G CA 1.016 45.945 45.100 -0.285 0.000 0.655 613 G HN 0.586 nan 8.290 nan 0.000 0.533 614 K N -1.099 118.873 120.400 -0.713 0.000 2.395 614 K HA 0.703 5.027 4.320 0.006 0.000 0.247 614 K C -1.285 174.981 176.600 -0.557 0.000 0.973 614 K CA -1.024 54.949 56.287 -0.524 0.000 0.828 614 K CB 1.951 34.247 32.500 -0.339 0.000 1.272 614 K HN 0.037 nan 8.250 nan 0.000 0.439 615 F N 1.600 121.266 119.950 -0.474 0.000 2.443 615 F HA 0.443 4.974 4.527 0.006 0.000 0.335 615 F C -1.177 174.492 175.800 -0.218 0.000 1.104 615 F CA -0.301 57.599 58.000 -0.167 0.000 1.013 615 F CB 0.837 39.861 39.000 0.040 0.000 1.136 615 F HN 0.376 nan 8.300 nan 0.000 0.470 616 Y N 5.966 126.012 120.300 -0.423 0.000 2.499 616 Y HA 0.604 5.158 4.550 0.006 0.000 0.347 616 Y C -0.711 175.192 175.900 0.005 0.000 0.987 616 Y CA -1.001 57.051 58.100 -0.080 0.000 1.044 616 Y CB 2.052 40.535 38.460 0.038 0.000 1.245 616 Y HN 0.497 nan 8.280 nan 0.000 0.461 617 I N 1.519 122.260 120.570 0.285 0.000 2.608 617 I HA 0.560 4.734 4.170 0.006 0.000 0.295 617 I C -1.008 175.028 176.117 -0.135 0.000 1.049 617 I CA -0.362 61.038 61.300 0.168 0.000 1.063 617 I CB 1.636 39.754 38.000 0.197 0.000 1.248 617 I HN 0.582 nan 8.210 nan 0.000 0.424 618 S N 3.040 118.428 115.700 -0.519 0.000 2.472 618 S HA 0.518 4.992 4.470 0.006 0.000 0.303 618 S C 0.301 174.729 174.600 -0.286 0.000 1.099 618 S CA -0.153 57.643 58.200 -0.672 0.000 1.077 618 S CB 1.191 63.588 63.200 -1.338 0.000 1.031 618 S HN 0.734 nan 8.310 nan 0.000 0.487 619 T N -0.088 114.366 114.554 -0.166 0.000 3.145 619 T HA 0.238 4.592 4.350 0.006 0.000 0.281 619 T C -0.105 174.565 174.700 -0.050 0.000 1.003 619 T CA -0.181 61.879 62.100 -0.068 0.000 0.901 619 T CB -0.220 68.644 68.868 -0.006 0.000 1.112 619 T HN 0.609 nan 8.240 nan 0.000 0.535 620 D N 0.525 120.876 120.400 -0.082 0.000 2.593 620 D HA 0.365 5.008 4.640 0.006 0.000 0.241 620 D C 1.385 177.662 176.300 -0.038 0.000 1.257 620 D CA -0.263 53.706 54.000 -0.051 0.000 0.828 620 D CB -0.284 40.483 40.800 -0.054 0.000 1.049 620 D HN 0.385 nan 8.370 nan 0.000 0.490 621 G N -0.448 108.364 108.800 0.020 0.000 2.147 621 G HA2 -0.009 3.955 3.960 0.006 0.000 0.244 621 G HA3 -0.009 3.955 3.960 0.006 0.000 0.244 621 G C 1.128 175.940 174.900 -0.146 0.000 1.005 621 G CA 0.288 45.465 45.100 0.127 0.000 0.713 621 G HN 1.434 nan 8.290 nan 0.000 0.515 622 G N -1.530 107.093 108.800 -0.295 0.000 2.195 622 G HA2 -0.218 3.746 3.960 0.006 0.000 0.224 622 G HA3 -0.218 3.746 3.960 0.006 0.000 0.224 622 G C 1.297 176.122 174.900 -0.125 0.000 0.990 622 G CA 0.652 45.495 45.100 -0.428 0.000 0.639 622 G HN 1.175 nan 8.290 nan 0.000 0.514 623 L N 1.010 122.164 121.223 -0.115 0.000 2.017 623 L HA 0.164 4.508 4.340 0.006 0.000 0.208 623 L C 1.887 178.767 176.870 0.017 0.000 1.073 623 L CA 2.025 56.845 54.840 -0.034 0.000 0.745 623 L CB -0.454 41.582 42.059 -0.039 0.000 0.894 623 L HN 0.618 nan 8.230 nan 0.000 0.432 624 T N -3.224 111.307 114.554 -0.039 0.000 2.893 624 T HA 0.572 4.926 4.350 0.006 0.000 0.291 624 T C -0.846 173.815 174.700 -0.064 0.000 1.028 624 T CA -0.568 61.548 62.100 0.027 0.000 0.995 624 T CB 1.904 70.781 68.868 0.015 0.000 1.051 624 T HN -0.140 nan 8.240 nan 0.000 0.470 625 F N 0.659 120.611 119.950 0.004 0.000 2.532 625 F HA 0.640 5.171 4.527 0.006 0.000 0.321 625 F C 0.417 176.314 175.800 0.162 0.000 1.089 625 F CA -0.659 57.379 58.000 0.063 0.000 0.926 625 F CB 2.924 41.922 39.000 -0.003 0.000 1.168 625 F HN 0.641 nan 8.300 nan 0.000 0.459 626 T N 1.198 115.955 114.554 0.339 0.000 2.824 626 T HA 0.160 4.513 4.350 0.006 0.000 0.282 626 T C -1.181 173.610 174.700 0.152 0.000 0.993 626 T CA -0.727 61.525 62.100 0.254 0.000 0.967 626 T CB 1.452 70.409 68.868 0.147 0.000 0.960 626 T HN 0.424 nan 8.240 nan 0.000 0.441 627 D N 2.117 122.493 120.400 -0.041 0.000 2.434 627 D HA 0.019 4.663 4.640 0.006 0.000 0.252 627 D C 1.508 177.692 176.300 -0.193 0.000 1.185 627 D CA 0.129 53.853 54.000 -0.461 0.000 0.886 627 D CB 1.025 41.569 40.800 -0.428 0.000 1.148 627 D HN 0.623 nan 8.370 nan 0.000 0.483 628 T N 0.624 115.049 114.554 -0.216 0.000 3.113 628 T HA -0.036 4.318 4.350 0.006 0.000 0.256 628 T C 0.877 175.570 174.700 -0.012 0.000 1.131 628 T CA 0.038 62.000 62.100 -0.230 0.000 1.074 628 T CB -0.346 68.241 68.868 -0.467 0.000 0.944 628 T HN 0.668 nan 8.240 nan 0.000 0.516 629 K N 0.642 121.017 120.400 -0.042 0.000 3.069 629 K HA -0.140 4.184 4.320 0.006 0.000 0.267 629 K C 0.294 176.923 176.600 0.050 0.000 1.082 629 K CA 0.085 56.374 56.287 0.003 0.000 0.782 629 K CB -2.411 30.113 32.500 0.041 0.000 1.230 629 K HN 0.712 nan 8.250 nan 0.000 0.488 630 A N 1.323 124.180 122.820 0.060 0.000 2.561 630 A HA 0.105 4.429 4.320 0.006 0.000 0.251 630 A C -0.276 177.359 177.584 0.085 0.000 1.062 630 A CA -0.684 51.421 52.037 0.114 0.000 0.761 630 A CB 0.119 19.234 19.000 0.193 0.000 0.986 630 A HN 0.155 nan 8.150 nan 0.000 0.510 631 P HA -0.094 nan 4.420 nan 0.000 0.219 631 P C 0.113 177.470 177.300 0.096 0.000 1.150 631 P CA 1.177 64.325 63.100 0.080 0.000 0.814 631 P CB 0.281 32.029 31.700 0.080 0.000 0.787 632 Q N -0.278 119.610 119.800 0.147 0.000 2.309 632 Q HA 0.643 4.987 4.340 0.006 0.000 0.270 632 Q C -0.889 175.209 176.000 0.163 0.000 1.023 632 Q CA -0.263 55.666 55.803 0.211 0.000 0.758 632 Q CB 2.180 31.102 28.738 0.308 0.000 1.247 632 Q HN 0.028 nan 8.270 nan 0.000 0.455 633 L N 2.899 124.070 121.223 -0.087 0.000 2.415 633 L HA 0.688 5.032 4.340 0.006 0.000 0.256 633 L C -2.308 174.122 176.870 -0.732 0.000 1.010 633 L CA -2.213 52.292 54.840 -0.558 0.000 0.826 633 L CB 2.391 44.310 42.059 -0.234 0.000 1.405 633 L HN 0.497 nan 8.230 nan 0.000 0.410 634 P HA 0.159 nan 4.420 nan 0.000 0.274 634 P C -0.377 176.820 177.300 -0.171 0.000 1.237 634 P CA -0.488 62.259 63.100 -0.589 0.000 0.793 634 P CB 0.950 32.168 31.700 -0.804 0.000 0.977 635 K N 0.020 120.386 120.400 -0.057 0.000 2.097 635 K HA 0.000 4.324 4.320 0.006 0.000 0.206 635 K C 1.173 177.826 176.600 0.089 0.000 1.049 635 K CA 1.314 57.615 56.287 0.024 0.000 0.933 635 K CB -0.548 31.962 32.500 0.016 0.000 0.717 635 K HN 0.744 nan 8.250 nan 0.000 0.442 636 S N -1.083 114.594 115.700 -0.038 0.000 2.596 636 S HA 0.589 5.063 4.470 0.006 0.000 0.270 636 S C -0.551 173.797 174.600 -0.421 0.000 1.155 636 S CA -0.880 57.270 58.200 -0.084 0.000 0.827 636 S CB 2.014 65.206 63.200 -0.013 0.000 1.130 636 S HN -0.007 nan 8.310 nan 0.000 0.467 637 V N -0.586 119.026 119.914 -0.505 0.000 2.962 637 V HA 0.710 4.834 4.120 0.006 0.000 0.313 637 V C 0.331 176.317 176.094 -0.180 0.000 1.099 637 V CA -0.681 61.344 62.300 -0.458 0.000 0.971 637 V CB 1.658 33.036 31.823 -0.742 0.000 1.028 637 V HN 0.981 nan 8.190 nan 0.000 0.430 638 N N 1.464 120.107 118.700 -0.095 0.000 2.368 638 N HA 0.179 4.923 4.740 0.006 0.000 0.178 638 N C 0.189 175.704 175.510 0.007 0.000 1.021 638 N CA 0.997 54.036 53.050 -0.019 0.000 0.875 638 N CB 0.295 38.798 38.487 0.027 0.000 1.020 638 N HN 0.728 nan 8.380 nan 0.000 0.433 639 K N 0.256 120.667 120.400 0.019 0.000 2.469 639 K HA 0.360 4.684 4.320 0.006 0.000 0.254 639 K C -0.887 175.781 176.600 0.113 0.000 0.939 639 K CA -0.671 55.661 56.287 0.074 0.000 0.812 639 K CB 2.463 35.015 32.500 0.087 0.000 1.301 639 K HN 0.253 nan 8.250 nan 0.000 0.433 640 I N -2.163 118.519 120.570 0.187 0.000 2.785 640 I HA 0.646 4.820 4.170 0.006 0.000 0.302 640 I C -1.107 175.215 176.117 0.341 0.000 1.069 640 I CA -0.683 60.792 61.300 0.292 0.000 1.045 640 I CB 2.613 40.837 38.000 0.373 0.000 1.236 640 I HN 0.441 nan 8.210 nan 0.000 0.429 641 K N 4.101 124.766 120.400 0.441 0.000 2.543 641 K HA 0.757 5.081 4.320 0.006 0.000 0.255 641 K C -1.522 175.426 176.600 0.580 0.000 0.934 641 K CA -0.559 56.015 56.287 0.479 0.000 0.810 641 K CB 2.335 35.107 32.500 0.453 0.000 1.315 641 K HN 0.951 nan 8.250 nan 0.000 0.433 642 A N 2.286 125.381 122.820 0.458 0.000 2.279 642 A HA 0.607 4.931 4.320 0.006 0.000 0.303 642 A C -0.735 176.980 177.584 0.219 0.000 1.108 642 A CA -0.617 51.632 52.037 0.353 0.000 0.830 642 A CB 1.096 20.295 19.000 0.331 0.000 1.106 642 A HN 0.366 nan 8.150 nan 0.000 0.493 643 V N 2.595 122.515 119.914 0.010 0.000 2.407 643 V HA 0.296 4.420 4.120 0.006 0.000 0.278 643 V C -2.293 173.692 176.094 -0.181 0.000 1.037 643 V CA -1.609 60.475 62.300 -0.360 0.000 0.900 643 V CB 1.067 32.578 31.823 -0.521 0.000 0.983 643 V HN 0.744 nan 8.190 nan 0.000 0.459 644 P HA 0.159 nan 4.420 nan 0.000 0.262 644 P C 1.030 178.253 177.300 -0.128 0.000 1.182 644 P CA 1.436 64.504 63.100 -0.052 0.000 0.761 644 P CB 0.515 32.236 31.700 0.034 0.000 0.795 645 G N 1.973 110.719 108.800 -0.090 0.000 2.179 645 G HA2 -0.223 3.740 3.960 0.006 0.000 0.260 645 G HA3 -0.223 3.740 3.960 0.006 0.000 0.260 645 G C 0.045 174.839 174.900 -0.177 0.000 0.977 645 G CA -0.103 44.928 45.100 -0.115 0.000 0.641 645 G HN 0.534 nan 8.290 nan 0.000 0.533 646 K N 1.028 121.294 120.400 -0.222 0.000 2.626 646 K HA 0.294 4.618 4.320 0.006 0.000 0.223 646 K C -0.146 176.377 176.600 -0.129 0.000 0.992 646 K CA -0.575 55.504 56.287 -0.347 0.000 1.024 646 K CB 1.461 33.502 32.500 -0.764 0.000 1.225 646 K HN 0.551 nan 8.250 nan 0.000 0.498 647 E N 0.310 120.497 120.200 -0.021 0.000 2.480 647 E HA 0.070 4.423 4.350 0.006 0.000 0.258 647 E C 0.790 177.518 176.600 0.213 0.000 0.984 647 E CA 1.083 57.544 56.400 0.101 0.000 0.930 647 E CB 0.230 29.979 29.700 0.083 0.000 0.936 647 E HN 0.779 nan 8.360 nan 0.000 0.466 648 G N 3.992 112.958 108.800 0.277 0.000 2.179 648 G HA2 -0.266 3.698 3.960 0.006 0.000 0.260 648 G HA3 -0.266 3.698 3.960 0.006 0.000 0.260 648 G C -0.336 174.642 174.900 0.130 0.000 0.977 648 G CA 0.368 45.615 45.100 0.245 0.000 0.641 648 G HN 0.704 nan 8.290 nan 0.000 0.533 649 H N -0.023 119.048 119.070 0.002 0.000 2.782 649 H HA 0.567 5.127 4.556 0.006 0.000 0.285 649 H C 0.097 175.443 175.328 0.030 0.000 1.093 649 H CA -0.071 55.983 56.048 0.010 0.000 1.410 649 H CB 1.138 30.991 29.762 0.151 0.000 1.439 649 H HN 0.235 nan 8.280 nan 0.000 0.469 650 V N 3.958 123.848 119.914 -0.040 0.000 2.656 650 V HA 0.318 4.441 4.120 0.006 0.000 0.307 650 V C -0.765 175.437 176.094 0.180 0.000 1.051 650 V CA -1.038 61.323 62.300 0.102 0.000 0.893 650 V CB 1.545 33.310 31.823 -0.098 0.000 0.999 650 V HN 0.662 nan 8.190 nan 0.000 0.426 651 W N 3.912 125.436 121.300 0.374 0.000 2.666 651 W HA 0.798 5.461 4.660 0.006 0.000 0.334 651 W C -0.718 176.004 176.519 0.338 0.000 1.051 651 W CA -0.571 57.023 57.345 0.415 0.000 1.224 651 W CB 1.613 31.381 29.460 0.513 0.000 1.405 651 W HN 0.329 nan 8.180 nan 0.000 0.513 652 L N 3.550 125.048 121.223 0.458 0.000 2.313 652 L HA 0.731 5.075 4.340 0.006 0.000 0.283 652 L C 0.191 177.195 176.870 0.223 0.000 1.013 652 L CA -1.234 53.726 54.840 0.200 0.000 0.816 652 L CB 1.276 43.245 42.059 -0.150 0.000 1.236 652 L HN 0.522 nan 8.230 nan 0.000 0.419 653 A N 2.601 125.503 122.820 0.137 0.000 2.341 653 A HA 0.664 4.988 4.320 0.006 0.000 0.326 653 A C 0.640 178.228 177.584 0.007 0.000 1.402 653 A CA -0.261 51.838 52.037 0.104 0.000 0.957 653 A CB 0.757 19.817 19.000 0.099 0.000 1.151 653 A HN 0.860 nan 8.150 nan 0.000 0.533 654 A N 3.279 126.106 122.820 0.010 0.000 2.507 654 A HA 0.473 4.797 4.320 0.006 0.000 0.270 654 A C 1.236 178.801 177.584 -0.032 0.000 1.318 654 A CA 0.071 52.066 52.037 -0.069 0.000 0.924 654 A CB -0.347 18.601 19.000 -0.087 0.000 1.061 654 A HN 1.030 nan 8.150 nan 0.000 0.516 655 R N -0.564 119.913 120.500 -0.038 0.000 3.853 655 R HA -0.269 4.075 4.340 0.006 0.000 0.440 655 R C 0.739 176.966 176.300 -0.122 0.000 0.241 655 R CA 1.966 58.006 56.100 -0.100 0.000 1.395 655 R CB -1.120 29.224 30.300 0.073 0.000 0.984 655 R HN 0.567 nan 8.270 nan 0.000 0.570 656 E N 0.845 121.011 120.200 -0.057 0.000 2.472 656 E HA -0.056 4.298 4.350 0.006 0.000 0.200 656 E C 1.712 178.315 176.600 0.004 0.000 1.046 656 E CA 0.738 57.115 56.400 -0.038 0.000 0.871 656 E CB -0.140 29.558 29.700 -0.003 0.000 0.806 656 E HN 0.638 nan 8.360 nan 0.000 0.533 657 G N 0.860 109.682 108.800 0.037 0.000 2.744 657 G HA2 0.196 4.160 3.960 0.006 0.000 0.211 657 G HA3 0.196 4.160 3.960 0.006 0.000 0.211 657 G C 0.756 175.816 174.900 0.267 0.000 1.143 657 G CA 0.302 45.481 45.100 0.131 0.000 0.788 657 G HN 0.449 nan 8.290 nan 0.000 0.534 658 G N -1.050 107.826 108.800 0.126 0.000 2.582 658 G HA2 0.091 4.055 3.960 0.006 0.000 0.222 658 G HA3 0.091 4.055 3.960 0.006 0.000 0.222 658 G C -1.000 174.003 174.900 0.171 0.000 1.311 658 G CA -0.251 44.891 45.100 0.070 0.000 0.915 658 G HN 0.913 nan 8.290 nan 0.000 0.528 659 L N -0.564 120.705 121.223 0.077 0.000 2.341 659 L HA 0.920 5.263 4.340 0.006 0.000 0.278 659 L C -1.140 175.849 176.870 0.197 0.000 1.005 659 L CA -0.853 54.129 54.840 0.236 0.000 0.818 659 L CB 1.281 43.450 42.059 0.183 0.000 1.259 659 L HN 0.670 nan 8.230 nan 0.000 0.418 660 W N 4.741 126.119 121.300 0.130 0.000 2.844 660 W HA 0.762 5.426 4.660 0.006 0.000 0.340 660 W C -0.622 175.886 176.519 -0.019 0.000 1.093 660 W CA -0.681 56.697 57.345 0.056 0.000 1.212 660 W CB 1.473 30.927 29.460 -0.009 0.000 1.422 660 W HN 0.512 nan 8.180 nan 0.000 0.515 661 R N 0.615 121.093 120.500 -0.036 0.000 2.686 661 R HA 0.867 5.210 4.340 0.006 0.000 0.283 661 R C -0.997 175.015 176.300 -0.481 0.000 0.978 661 R CA -0.801 54.910 56.100 -0.650 0.000 0.897 661 R CB 2.148 31.490 30.300 -1.597 0.000 1.192 661 R HN 0.303 nan 8.270 nan 0.000 0.457 662 S N 0.067 115.299 115.700 -0.780 0.000 2.536 662 S HA 0.402 4.875 4.470 0.006 0.000 0.298 662 S C 0.152 174.321 174.600 -0.718 0.000 1.083 662 S CA -0.282 57.340 58.200 -0.963 0.000 0.995 662 S CB 1.788 63.959 63.200 -1.715 0.000 1.058 662 S HN 0.769 nan 8.310 nan 0.000 0.488 663 T N -0.588 113.606 114.554 -0.599 0.000 3.091 663 T HA 0.254 4.608 4.350 0.006 0.000 0.277 663 T C -0.099 174.439 174.700 -0.269 0.000 0.996 663 T CA 0.004 61.725 62.100 -0.631 0.000 0.897 663 T CB -0.212 68.266 68.868 -0.650 0.000 1.109 663 T HN 0.614 nan 8.240 nan 0.000 0.534 664 D N 0.482 120.750 120.400 -0.220 0.000 2.623 664 D HA 0.348 4.992 4.640 0.006 0.000 0.252 664 D C 1.370 177.734 176.300 0.106 0.000 1.294 664 D CA -0.237 53.743 54.000 -0.033 0.000 0.824 664 D CB -0.255 40.531 40.800 -0.025 0.000 1.070 664 D HN 0.394 nan 8.370 nan 0.000 0.487 665 G N -0.261 108.556 108.800 0.027 0.000 2.143 665 G HA2 -0.037 3.927 3.960 0.006 0.000 0.248 665 G HA3 -0.037 3.927 3.960 0.006 0.000 0.248 665 G C 1.132 176.107 174.900 0.125 0.000 0.991 665 G CA 0.300 45.522 45.100 0.203 0.000 0.689 665 G HN 1.454 nan 8.290 nan 0.000 0.522 666 G N -2.144 106.475 108.800 -0.303 0.000 2.141 666 G HA2 -0.254 3.709 3.960 0.006 0.000 0.231 666 G HA3 -0.254 3.709 3.960 0.006 0.000 0.231 666 G C 0.798 175.529 174.900 -0.282 0.000 0.984 666 G CA 0.798 45.509 45.100 -0.649 0.000 0.660 666 G HN 0.938 nan 8.290 nan 0.000 0.525 667 Y N 1.426 121.669 120.300 -0.095 0.000 2.314 667 Y HA 0.192 4.746 4.550 0.006 0.000 0.293 667 Y C 2.139 178.015 175.900 -0.040 0.000 1.129 667 Y CA 2.010 60.108 58.100 -0.002 0.000 1.201 667 Y CB 0.330 38.795 38.460 0.008 0.000 0.999 667 Y HN 0.537 nan 8.280 nan 0.000 0.541 668 T N -2.714 111.813 114.554 -0.046 0.000 2.893 668 T HA 0.595 4.949 4.350 0.006 0.000 0.293 668 T C -1.058 173.475 174.700 -0.279 0.000 1.027 668 T CA -0.715 61.355 62.100 -0.051 0.000 0.988 668 T CB 1.534 70.386 68.868 -0.027 0.000 1.043 668 T HN -0.123 nan 8.240 nan 0.000 0.461 669 F N 0.762 120.696 119.950 -0.027 0.000 2.532 669 F HA 0.588 5.119 4.527 0.006 0.000 0.321 669 F C 0.296 176.148 175.800 0.088 0.000 1.089 669 F CA -0.858 57.149 58.000 0.011 0.000 0.926 669 F CB 2.302 41.364 39.000 0.103 0.000 1.168 669 F HN 0.780 nan 8.300 nan 0.000 0.459 670 E N 3.518 123.816 120.200 0.163 0.000 2.171 670 E HA 0.231 4.585 4.350 0.006 0.000 0.271 670 E C -1.174 175.318 176.600 -0.180 0.000 0.916 670 E CA -0.834 55.553 56.400 -0.021 0.000 0.774 670 E CB 1.438 31.066 29.700 -0.119 0.000 1.128 670 E HN 0.576 nan 8.360 nan 0.000 0.403 671 K N 5.038 125.072 120.400 -0.609 0.000 2.276 671 K HA 0.164 4.488 4.320 0.006 0.000 0.285 671 K C -0.661 175.616 176.600 -0.539 0.000 1.062 671 K CA -0.631 54.965 56.287 -1.150 0.000 0.918 671 K CB 0.470 31.897 32.500 -1.788 0.000 1.055 671 K HN 0.429 nan 8.250 nan 0.000 0.477 672 L N 3.909 124.916 121.223 -0.360 0.000 2.462 672 L HA -0.016 4.328 4.340 0.006 0.000 0.272 672 L C 1.425 178.199 176.870 -0.160 0.000 1.166 672 L CA 0.587 55.348 54.840 -0.132 0.000 0.880 672 L CB 1.275 43.383 42.059 0.081 0.000 1.142 672 L HN 0.796 nan 8.230 nan 0.000 0.473 673 S N 0.709 116.345 115.700 -0.106 0.000 2.527 673 S HA -0.040 4.433 4.470 0.006 0.000 0.222 673 S C 0.983 175.536 174.600 -0.078 0.000 0.985 673 S CA 0.460 58.596 58.200 -0.107 0.000 0.921 673 S CB -0.371 62.781 63.200 -0.081 0.000 0.772 673 S HN 0.781 nan 8.310 nan 0.000 0.529 674 N N 0.836 119.513 118.700 -0.039 0.000 2.238 674 N HA 0.201 4.945 4.740 0.006 0.000 0.222 674 N C -0.641 174.751 175.510 -0.196 0.000 1.133 674 N CA -0.330 52.698 53.050 -0.037 0.000 0.854 674 N CB 0.419 38.971 38.487 0.108 0.000 1.041 674 N HN 0.288 nan 8.380 nan 0.000 0.510 675 V N 0.616 120.376 119.914 -0.256 0.000 2.577 675 V HA 0.180 4.303 4.120 0.006 0.000 0.303 675 V C 0.340 176.264 176.094 -0.284 0.000 1.042 675 V CA -0.790 61.262 62.300 -0.414 0.000 0.872 675 V CB 2.045 33.564 31.823 -0.507 0.000 0.998 675 V HN 0.078 nan 8.190 nan 0.000 0.423 676 D N 3.013 123.243 120.400 -0.283 0.000 2.154 676 D HA -0.010 4.634 4.640 0.006 0.000 0.211 676 D C 0.435 176.630 176.300 -0.175 0.000 0.977 676 D CA 1.192 55.079 54.000 -0.189 0.000 0.869 676 D CB 0.733 41.437 40.800 -0.160 0.000 1.022 676 D HN 0.546 nan 8.370 nan 0.000 0.461 677 T N 0.009 114.430 114.554 -0.221 0.000 2.848 677 T HA 0.698 5.052 4.350 0.006 0.000 0.285 677 T C -0.876 173.644 174.700 -0.300 0.000 0.995 677 T CA -0.607 61.343 62.100 -0.250 0.000 0.970 677 T CB 1.925 70.635 68.868 -0.263 0.000 0.976 677 T HN 0.213 nan 8.240 nan 0.000 0.441 678 A N 2.320 124.974 122.820 -0.276 0.000 2.457 678 A HA 0.525 4.849 4.320 0.006 0.000 0.283 678 A C 0.462 177.949 177.584 -0.161 0.000 1.166 678 A CA -0.605 51.317 52.037 -0.193 0.000 0.740 678 A CB 0.501 19.447 19.000 -0.090 0.000 1.181 678 A HN 0.962 nan 8.150 nan 0.000 0.446 679 H N 1.223 120.308 119.070 0.024 0.000 2.415 679 H HA 0.117 4.677 4.556 0.006 0.000 0.297 679 H C 0.809 176.144 175.328 0.012 0.000 1.048 679 H CA 2.156 58.211 56.048 0.012 0.000 1.365 679 H CB 0.357 30.123 29.762 0.006 0.000 1.421 679 H HN 0.688 nan 8.280 nan 0.000 0.533 680 V N -2.343 117.651 119.914 0.134 0.000 3.114 680 V HA 0.646 4.770 4.120 0.006 0.000 0.308 680 V C -0.652 175.473 176.094 0.052 0.000 1.168 680 V CA -1.049 61.298 62.300 0.079 0.000 1.015 680 V CB 2.618 34.471 31.823 0.051 0.000 1.050 680 V HN -0.104 nan 8.190 nan 0.000 0.433 681 V N 1.063 120.985 119.914 0.012 0.000 2.808 681 V HA 1.021 5.145 4.120 0.006 0.000 0.308 681 V C 0.095 176.018 176.094 -0.286 0.000 1.099 681 V CA 0.772 63.016 62.300 -0.093 0.000 0.920 681 V CB 1.732 33.539 31.823 -0.026 0.000 1.014 681 V HN 1.776 nan 8.190 nan 0.000 0.425 682 G N 4.182 112.704 108.800 -0.464 0.000 2.708 682 G HA2 0.792 4.756 3.960 0.006 0.000 0.289 682 G HA3 0.792 4.756 3.960 0.006 0.000 0.289 682 G C -2.046 172.414 174.900 -0.733 0.000 1.416 682 G CA -0.622 44.146 45.100 -0.553 0.000 0.829 682 G HN 0.580 nan 8.290 nan 0.000 0.480 683 F N -0.680 119.396 119.950 0.209 0.000 2.565 683 F HA 0.807 5.338 4.527 0.006 0.000 0.313 683 F C 0.643 176.591 175.800 0.246 0.000 1.091 683 F CA -0.590 57.535 58.000 0.209 0.000 0.915 683 F CB 2.579 41.641 39.000 0.102 0.000 1.208 683 F HN 0.793 nan 8.300 nan 0.000 0.453 684 G N 0.604 109.696 108.800 0.487 0.000 2.949 684 G HA2 0.453 4.417 3.960 0.006 0.000 0.285 684 G HA3 0.453 4.417 3.960 0.006 0.000 0.285 684 G C -1.580 173.503 174.900 0.305 0.000 1.395 684 G CA -1.181 44.132 45.100 0.356 0.000 0.901 684 G HN 0.604 nan 8.290 nan 0.000 0.519 685 K N 0.192 120.742 120.400 0.249 0.000 2.524 685 K HA 0.359 4.682 4.320 0.006 0.000 0.279 685 K C 0.722 177.521 176.600 0.331 0.000 0.993 685 K CA 0.100 56.532 56.287 0.241 0.000 1.030 685 K CB 0.252 32.885 32.500 0.222 0.000 0.891 685 K HN 0.621 nan 8.250 nan 0.000 0.488 686 A N 3.420 126.368 122.820 0.213 0.000 2.498 686 A HA 0.321 4.644 4.320 0.006 0.000 0.239 686 A C 0.101 177.754 177.584 0.116 0.000 1.068 686 A CA 0.240 52.382 52.037 0.174 0.000 0.766 686 A CB 0.186 19.235 19.000 0.082 0.000 1.003 686 A HN 0.900 nan 8.150 nan 0.000 0.497 687 A N 3.611 126.441 122.820 0.017 0.000 2.466 687 A HA 0.522 4.846 4.320 0.006 0.000 0.238 687 A C -2.130 175.307 177.584 -0.245 0.000 1.074 687 A CA -0.954 50.844 52.037 -0.398 0.000 0.774 687 A CB -0.714 18.136 19.000 -0.250 0.000 1.015 687 A HN 0.672 nan 8.150 nan 0.000 0.498 688 P HA 0.287 nan 4.420 nan 0.000 0.266 688 P C 0.984 178.222 177.300 -0.104 0.000 1.195 688 P CA 1.567 64.573 63.100 -0.157 0.000 0.768 688 P CB 0.573 32.181 31.700 -0.155 0.000 0.838 689 G N 0.333 109.098 108.800 -0.060 0.000 2.184 689 G HA2 -0.205 3.759 3.960 0.006 0.000 0.264 689 G HA3 -0.205 3.759 3.960 0.006 0.000 0.264 689 G C 0.063 174.951 174.900 -0.021 0.000 0.975 689 G CA -0.126 44.953 45.100 -0.036 0.000 0.642 689 G HN 0.554 nan 8.290 nan 0.000 0.536 690 Q N 0.165 119.955 119.800 -0.017 0.000 2.348 690 Q HA 0.466 4.810 4.340 0.006 0.000 0.271 690 Q C -0.059 175.968 176.000 0.045 0.000 1.067 690 Q CA -0.142 55.671 55.803 0.016 0.000 0.839 690 Q CB 1.682 30.431 28.738 0.019 0.000 1.354 690 Q HN 0.437 nan 8.270 nan 0.000 0.447 691 D N -0.245 120.205 120.400 0.084 0.000 2.463 691 D HA 0.121 4.764 4.640 0.006 0.000 0.224 691 D C -0.533 175.884 176.300 0.194 0.000 1.174 691 D CA -0.050 54.012 54.000 0.103 0.000 0.829 691 D CB 0.036 40.893 40.800 0.096 0.000 0.993 691 D HN 0.280 nan 8.370 nan 0.000 0.497 692 Y N 0.019 120.333 120.300 0.023 0.000 2.552 692 Y HA 0.350 4.904 4.550 0.006 0.000 0.337 692 Y C -0.317 175.610 175.900 0.045 0.000 1.094 692 Y CA -1.167 56.955 58.100 0.036 0.000 1.028 692 Y CB 1.757 40.256 38.460 0.065 0.000 1.321 692 Y HN -0.248 nan 8.280 nan 0.000 0.456 693 M N 3.504 123.053 119.600 -0.086 0.000 2.252 693 M HA 0.206 4.690 4.480 0.006 0.000 0.329 693 M C 0.381 176.825 176.300 0.241 0.000 1.101 693 M CA 0.302 55.645 55.300 0.073 0.000 1.117 693 M CB 0.320 32.916 32.600 -0.007 0.000 1.563 693 M HN 0.788 nan 8.290 nan 0.000 0.445 694 A N 4.509 127.470 122.820 0.236 0.000 2.462 694 A HA 0.465 4.789 4.320 0.006 0.000 0.243 694 A C -0.276 177.333 177.584 0.041 0.000 1.076 694 A CA -0.179 51.922 52.037 0.106 0.000 0.773 694 A CB -0.109 18.965 19.000 0.123 0.000 1.010 694 A HN 0.795 nan 8.150 nan 0.000 0.493 695 I N 1.495 121.944 120.570 -0.201 0.000 2.404 695 I HA 0.388 4.562 4.170 0.006 0.000 0.293 695 I C -1.190 174.733 176.117 -0.324 0.000 0.992 695 I CA -0.353 60.855 61.300 -0.154 0.000 1.149 695 I CB 1.397 39.296 38.000 -0.168 0.000 1.315 695 I HN 0.613 nan 8.210 nan 0.000 0.446 696 Y N 6.325 126.651 120.300 0.044 0.000 2.376 696 Y HA 0.677 5.231 4.550 0.006 0.000 0.340 696 Y C 0.050 176.005 175.900 0.091 0.000 0.965 696 Y CA -0.879 57.295 58.100 0.123 0.000 1.078 696 Y CB 1.811 40.300 38.460 0.048 0.000 1.193 696 Y HN 0.387 nan 8.280 nan 0.000 0.452 697 I N -0.649 120.109 120.570 0.314 0.000 3.042 697 I HA 0.910 5.084 4.170 0.006 0.000 0.310 697 I C -0.618 175.654 176.117 0.260 0.000 1.117 697 I CA -1.010 60.404 61.300 0.191 0.000 1.003 697 I CB 2.682 40.711 38.000 0.048 0.000 1.228 697 I HN 0.539 nan 8.210 nan 0.000 0.443 698 T N 0.127 114.810 114.554 0.215 0.000 2.912 698 T HA 0.948 5.301 4.350 0.006 0.000 0.288 698 T C 0.017 174.890 174.700 0.287 0.000 1.030 698 T CA -0.008 62.288 62.100 0.327 0.000 1.020 698 T CB 1.599 70.632 68.868 0.275 0.000 1.056 698 T HN 1.693 nan 8.240 nan 0.000 0.480 699 G N 1.101 110.113 108.800 0.355 0.000 2.350 699 G HA2 0.269 4.233 3.960 0.006 0.000 0.085 699 G HA3 0.269 4.233 3.960 0.006 0.000 0.085 699 G C -1.529 173.503 174.900 0.221 0.000 1.159 699 G CA -0.350 44.841 45.100 0.152 0.000 1.146 699 G HN 0.887 nan 8.290 nan 0.000 0.449 700 K N 0.142 120.539 120.400 -0.006 0.000 2.535 700 K HA 0.697 5.020 4.320 0.006 0.000 0.251 700 K C -1.675 174.715 176.600 -0.350 0.000 0.942 700 K CA -0.707 55.550 56.287 -0.050 0.000 0.798 700 K CB 1.533 34.016 32.500 -0.030 0.000 1.267 700 K HN 0.481 nan 8.250 nan 0.000 0.434 701 I N 3.308 123.588 120.570 -0.483 0.000 2.499 701 I HA 0.182 4.355 4.170 0.006 0.000 0.288 701 I C -0.663 175.315 176.117 -0.232 0.000 1.048 701 I CA -0.681 60.299 61.300 -0.533 0.000 1.062 701 I CB 2.042 39.464 38.000 -0.962 0.000 1.238 701 I HN 0.785 nan 8.210 nan 0.000 0.426 702 D N 4.567 124.874 120.400 -0.155 0.000 2.686 702 D HA -0.239 4.405 4.640 0.006 0.000 0.235 702 D C 0.267 176.552 176.300 -0.025 0.000 1.160 702 D CA 1.069 55.028 54.000 -0.067 0.000 0.645 702 D CB -1.106 39.672 40.800 -0.037 0.000 1.039 702 D HN 0.883 nan 8.370 nan 0.000 0.423 703 N N -2.300 116.384 118.700 -0.026 0.000 2.741 703 N HA -0.214 4.530 4.740 0.006 0.000 0.251 703 N C -0.762 174.774 175.510 0.043 0.000 1.112 703 N CA 1.122 54.177 53.050 0.008 0.000 0.750 703 N CB -0.281 38.212 38.487 0.010 0.000 1.119 703 N HN 0.270 nan 8.380 nan 0.000 0.561 704 V N 1.223 121.181 119.914 0.073 0.000 2.417 704 V HA 0.447 4.570 4.120 0.006 0.000 0.291 704 V C 0.420 176.661 176.094 0.244 0.000 1.024 704 V CA -0.674 61.716 62.300 0.150 0.000 0.861 704 V CB 1.730 33.679 31.823 0.210 0.000 0.985 704 V HN 0.089 nan 8.190 nan 0.000 0.436 705 L N 4.537 125.855 121.223 0.158 0.000 2.357 705 L HA 0.934 5.278 4.340 0.006 0.000 0.273 705 L C 0.912 177.795 176.870 0.022 0.000 1.080 705 L CA 0.451 55.383 54.840 0.153 0.000 0.803 705 L CB 1.442 43.553 42.059 0.087 0.000 1.174 705 L HN 0.928 nan 8.230 nan 0.000 0.443 706 G N 1.247 110.049 108.800 0.002 0.000 2.366 706 G HA2 0.101 4.065 3.960 0.006 0.000 0.190 706 G HA3 0.101 4.065 3.960 0.006 0.000 0.190 706 G C -1.740 172.992 174.900 -0.279 0.000 1.299 706 G CA -0.823 44.020 45.100 -0.429 0.000 1.056 706 G HN 0.186 nan 8.290 nan 0.000 0.468 707 F N 0.419 120.023 119.950 -0.577 0.000 2.480 707 F HA 0.908 5.439 4.527 0.006 0.000 0.329 707 F C -0.344 175.062 175.800 -0.656 0.000 1.091 707 F CA -1.813 55.969 58.000 -0.363 0.000 0.972 707 F CB 1.461 40.389 39.000 -0.120 0.000 1.150 707 F HN 0.334 nan 8.300 nan 0.000 0.467 708 F N 0.903 121.028 119.950 0.292 0.000 2.588 708 F HA 0.650 5.181 4.527 0.006 0.000 0.310 708 F C -0.188 175.821 175.800 0.349 0.000 1.082 708 F CA -1.001 57.159 58.000 0.266 0.000 0.929 708 F CB 2.336 41.447 39.000 0.184 0.000 1.254 708 F HN 0.363 nan 8.300 nan 0.000 0.455 709 R N 0.975 121.747 120.500 0.453 0.000 2.670 709 R HA 0.702 5.045 4.340 0.006 0.000 0.289 709 R C -1.423 174.858 176.300 -0.031 0.000 0.965 709 R CA -0.470 55.669 56.100 0.065 0.000 0.899 709 R CB 2.052 32.290 30.300 -0.103 0.000 1.173 709 R HN 0.707 nan 8.270 nan 0.000 0.456 710 S N 1.822 117.226 115.700 -0.494 0.000 2.519 710 S HA 0.240 4.714 4.470 0.006 0.000 0.309 710 S C -0.290 174.063 174.600 -0.411 0.000 1.100 710 S CA -0.731 57.004 58.200 -0.774 0.000 1.059 710 S CB 1.309 63.491 63.200 -1.697 0.000 1.008 710 S HN 0.700 nan 8.310 nan 0.000 0.478 711 D N 2.462 122.725 120.400 -0.229 0.000 2.360 711 D HA 0.060 4.704 4.640 0.006 0.000 0.210 711 D C -0.173 176.089 176.300 -0.063 0.000 1.047 711 D CA 0.377 54.339 54.000 -0.065 0.000 0.854 711 D CB 0.338 41.151 40.800 0.022 0.000 0.936 711 D HN 0.734 nan 8.370 nan 0.000 0.514 712 D N -0.447 119.862 120.400 -0.151 0.000 2.891 712 D HA 0.349 4.992 4.640 0.006 0.000 0.332 712 D C 0.581 176.791 176.300 -0.150 0.000 1.369 712 D CA -0.783 53.152 54.000 -0.108 0.000 0.827 712 D CB 0.199 40.938 40.800 -0.101 0.000 1.141 712 D HN -0.048 nan 8.370 nan 0.000 0.464 713 A N -0.155 122.563 122.820 -0.170 0.000 2.869 713 A HA 0.121 4.444 4.320 0.006 0.000 0.280 713 A C 1.699 179.217 177.584 -0.109 0.000 1.458 713 A CA 1.219 53.096 52.037 -0.266 0.000 0.776 713 A CB -1.987 16.720 19.000 -0.488 0.000 1.028 713 A HN 1.665 nan 8.150 nan 0.000 0.547 714 G N -1.965 106.668 108.800 -0.278 0.000 2.175 714 G HA2 -0.303 3.660 3.960 0.006 0.000 0.244 714 G HA3 -0.303 3.660 3.960 0.006 0.000 0.244 714 G C 0.782 175.607 174.900 -0.124 0.000 0.982 714 G CA 1.168 46.160 45.100 -0.179 0.000 0.641 714 G HN 0.985 nan 8.290 nan 0.000 0.527 715 K N 0.169 120.466 120.400 -0.173 0.000 2.057 715 K HA 0.095 4.418 4.320 0.006 0.000 0.206 715 K C 1.397 177.941 176.600 -0.093 0.000 1.050 715 K CA 1.621 57.856 56.287 -0.086 0.000 0.935 715 K CB -0.108 32.347 32.500 -0.076 0.000 0.715 715 K HN 0.693 nan 8.250 nan 0.000 0.439 716 T N -2.397 112.014 114.554 -0.239 0.000 2.906 716 T HA 0.510 4.863 4.350 0.006 0.000 0.295 716 T C -1.431 173.042 174.700 -0.378 0.000 1.061 716 T CA -0.992 61.017 62.100 -0.152 0.000 1.000 716 T CB 1.281 70.111 68.868 -0.063 0.000 1.103 716 T HN 0.135 nan 8.240 nan 0.000 0.486 717 W N 1.140 122.455 121.300 0.025 0.000 2.844 717 W HA 0.657 5.320 4.660 0.006 0.000 0.340 717 W C -0.650 175.935 176.519 0.109 0.000 1.093 717 W CA -0.895 56.482 57.345 0.053 0.000 1.212 717 W CB 2.202 31.661 29.460 -0.002 0.000 1.422 717 W HN 0.767 nan 8.180 nan 0.000 0.515 718 V N 0.021 120.173 119.914 0.396 0.000 2.769 718 V HA 0.622 4.745 4.120 0.006 0.000 0.312 718 V C -0.296 176.046 176.094 0.413 0.000 1.061 718 V CA -1.660 60.840 62.300 0.333 0.000 0.931 718 V CB 1.678 33.623 31.823 0.204 0.000 1.010 718 V HN 0.646 nan 8.190 nan 0.000 0.433 719 R N 2.490 123.178 120.500 0.313 0.000 2.298 719 R HA 0.476 4.820 4.340 0.006 0.000 0.310 719 R C 0.726 176.981 176.300 -0.074 0.000 1.068 719 R CA 0.069 56.163 56.100 -0.010 0.000 0.957 719 R CB 1.020 31.293 30.300 -0.046 0.000 1.003 719 R HN 0.997 nan 8.270 nan 0.000 0.454 720 I N 0.795 121.251 120.570 -0.190 0.000 3.708 720 I HA 0.130 4.304 4.170 0.006 0.000 0.302 720 I C 0.563 176.711 176.117 0.052 0.000 1.255 720 I CA -0.544 60.593 61.300 -0.271 0.000 1.362 720 I CB -0.079 37.483 38.000 -0.731 0.000 1.100 720 I HN 0.418 nan 8.210 nan 0.000 0.434 721 N N 2.735 121.377 118.700 -0.097 0.000 2.431 721 N HA 0.268 5.011 4.740 0.006 0.000 0.289 721 N C -0.912 174.487 175.510 -0.185 0.000 1.277 721 N CA 0.009 52.902 53.050 -0.262 0.000 0.972 721 N CB 0.767 38.574 38.487 -1.132 0.000 1.143 721 N HN 0.413 nan 8.380 nan 0.000 0.578 722 D N -3.213 117.071 120.400 -0.194 0.000 2.664 722 D HA 0.287 4.931 4.640 0.006 0.000 0.292 722 D C -0.338 175.886 176.300 -0.126 0.000 1.214 722 D CA -0.577 53.376 54.000 -0.079 0.000 0.932 722 D CB 0.224 41.067 40.800 0.072 0.000 1.420 722 D HN 0.221 nan 8.370 nan 0.000 0.471 723 D N -0.432 119.922 120.400 -0.076 0.000 2.221 723 D HA -0.114 4.529 4.640 0.006 0.000 0.204 723 D C 1.003 177.232 176.300 -0.120 0.000 0.982 723 D CA 1.109 55.057 54.000 -0.087 0.000 0.857 723 D CB 0.083 40.853 40.800 -0.050 0.000 0.934 723 D HN 0.536 nan 8.370 nan 0.000 0.475 724 E N -0.748 119.371 120.200 -0.135 0.000 2.478 724 E HA -0.028 4.325 4.350 0.006 0.000 0.194 724 E C -0.093 176.125 176.600 -0.637 0.000 1.045 724 E CA 0.260 56.480 56.400 -0.300 0.000 0.868 724 E CB 0.194 29.720 29.700 -0.291 0.000 0.885 724 E HN 0.406 nan 8.360 nan 0.000 0.505 725 H N -1.042 117.814 119.070 -0.356 0.000 2.423 725 H HA 0.248 4.807 4.556 0.006 0.000 0.237 725 H C 0.748 175.611 175.328 -0.775 0.000 1.391 725 H CA -0.341 55.301 56.048 -0.676 0.000 1.453 725 H CB 1.205 30.600 29.762 -0.612 0.000 1.484 725 H HN 0.107 nan 8.280 nan 0.000 0.505 726 G N -0.178 108.291 108.800 -0.552 0.000 2.524 726 G HA2 -0.119 3.845 3.960 0.006 0.000 0.210 726 G HA3 -0.119 3.845 3.960 0.006 0.000 0.210 726 G C -0.125 174.769 174.900 -0.011 0.000 1.187 726 G CA 0.063 44.985 45.100 -0.296 0.000 0.825 726 G HN 0.626 nan 8.290 nan 0.000 0.558 727 Y N -0.305 120.079 120.300 0.140 0.000 4.798 727 Y HA -0.190 4.364 4.550 0.006 0.000 0.237 727 Y C 1.914 177.705 175.900 -0.182 0.000 1.017 727 Y CA 0.820 58.940 58.100 0.034 0.000 2.010 727 Y CB -1.636 36.855 38.460 0.052 0.000 1.582 727 Y HN 1.206 nan 8.280 nan 0.000 0.621 728 G N -0.459 108.411 108.800 0.117 0.000 2.509 728 G HA2 0.062 4.025 3.960 0.006 0.000 0.256 728 G HA3 0.062 4.025 3.960 0.006 0.000 0.256 728 G C 0.171 175.037 174.900 -0.057 0.000 1.152 728 G CA 0.209 45.362 45.100 0.088 0.000 0.951 728 G HN 1.525 nan 8.290 nan 0.000 0.559 729 A N 0.182 122.740 122.820 -0.436 0.000 2.347 729 A HA 0.652 4.975 4.320 0.006 0.000 0.287 729 A C 0.798 178.175 177.584 -0.344 0.000 1.199 729 A CA 0.729 52.419 52.037 -0.579 0.000 0.851 729 A CB 0.420 18.686 19.000 -1.224 0.000 1.118 729 A HN 2.246 nan 8.150 nan 0.000 0.525 730 V N 0.741 120.526 119.914 -0.215 0.000 2.711 730 V HA 0.324 4.447 4.120 0.006 0.000 0.335 730 V C -0.400 175.616 176.094 -0.129 0.000 1.235 730 V CA -0.104 62.107 62.300 -0.148 0.000 1.250 730 V CB 0.107 31.886 31.823 -0.074 0.000 1.469 730 V HN 0.747 nan 8.190 nan 0.000 0.646 731 D N -0.713 119.575 120.400 -0.186 0.000 2.538 731 D HA 0.096 4.739 4.640 0.006 0.000 0.231 731 D C 1.191 177.438 176.300 -0.089 0.000 1.229 731 D CA 0.665 54.580 54.000 -0.141 0.000 0.828 731 D CB 0.522 41.140 40.800 -0.304 0.000 1.035 731 D HN 0.536 nan 8.370 nan 0.000 0.495 732 T N -3.341 111.159 114.554 -0.089 0.000 3.056 732 T HA 0.576 4.929 4.350 0.006 0.000 0.241 732 T C 0.810 175.490 174.700 -0.034 0.000 1.006 732 T CA 0.430 62.491 62.100 -0.065 0.000 1.115 732 T CB 0.473 69.292 68.868 -0.081 0.000 0.939 732 T HN 0.295 nan 8.240 nan 0.000 0.462 733 A N 0.237 123.034 122.820 -0.039 0.000 2.577 733 A HA 0.754 5.078 4.320 0.006 0.000 0.297 733 A C -1.776 175.790 177.584 -0.030 0.000 1.060 733 A CA -0.801 51.226 52.037 -0.018 0.000 0.697 733 A CB 1.163 20.159 19.000 -0.008 0.000 1.281 733 A HN 0.556 nan 8.150 nan 0.000 0.402 734 I N 0.897 121.460 120.570 -0.011 0.000 2.752 734 I HA 0.810 4.984 4.170 0.006 0.000 0.295 734 I C -0.864 175.261 176.117 0.013 0.000 1.219 734 I CA -0.016 61.275 61.300 -0.015 0.000 1.030 734 I CB 2.428 40.412 38.000 -0.026 0.000 1.259 734 I HN 0.824 nan 8.210 nan 0.000 0.423 735 T N 4.138 118.716 114.554 0.039 0.000 2.982 735 T HA 0.618 4.972 4.350 0.006 0.000 0.321 735 T C -0.245 174.472 174.700 0.029 0.000 1.229 735 T CA -0.028 62.117 62.100 0.075 0.000 1.044 735 T CB 1.280 70.231 68.868 0.138 0.000 1.184 735 T HN 0.864 nan 8.240 nan 0.000 0.477 736 G N 1.434 110.241 108.800 0.012 0.000 2.588 736 G HA2 0.415 4.379 3.960 0.006 0.000 0.278 736 G HA3 0.415 4.379 3.960 0.006 0.000 0.278 736 G C -0.775 174.185 174.900 0.100 0.000 1.307 736 G CA -0.213 44.814 45.100 -0.122 0.000 1.016 736 G HN 0.686 nan 8.290 nan 0.000 0.503 737 D N -0.421 120.016 120.400 0.063 0.000 2.381 737 D HA 0.292 4.936 4.640 0.006 0.000 0.235 737 D C -1.486 174.892 176.300 0.130 0.000 1.068 737 D CA -1.968 52.127 54.000 0.158 0.000 0.832 737 D CB 2.294 43.164 40.800 0.117 0.000 1.101 737 D HN -0.010 nan 8.370 nan 0.000 0.515 738 P HA -0.030 nan 4.420 nan 0.000 0.226 738 P C 0.853 178.213 177.300 0.099 0.000 1.153 738 P CA 0.576 63.752 63.100 0.126 0.000 0.777 738 P CB 0.595 32.365 31.700 0.116 0.000 0.794 739 R N -0.977 119.572 120.500 0.082 0.000 2.308 739 R HA 0.220 4.564 4.340 0.006 0.000 0.202 739 R C 0.022 176.364 176.300 0.070 0.000 0.898 739 R CA 0.193 56.332 56.100 0.066 0.000 1.046 739 R CB 0.755 31.081 30.300 0.044 0.000 1.026 739 R HN 0.009 nan 8.270 nan 0.000 0.512 740 V N 1.484 121.440 119.914 0.071 0.000 2.409 740 V HA 0.141 4.264 4.120 0.006 0.000 0.290 740 V C -0.936 175.193 176.094 0.059 0.000 1.017 740 V CA -1.179 61.152 62.300 0.053 0.000 0.841 740 V CB 1.107 32.931 31.823 0.001 0.000 1.003 740 V HN 0.088 nan 8.190 nan 0.000 0.426 741 Y N 4.162 124.482 120.300 0.033 0.000 2.610 741 Y HA 0.445 4.999 4.550 0.006 0.000 0.332 741 Y C 1.335 177.267 175.900 0.053 0.000 1.201 741 Y CA 1.470 59.608 58.100 0.064 0.000 1.465 741 Y CB 0.936 39.428 38.460 0.053 0.000 1.283 741 Y HN 0.956 nan 8.280 nan 0.000 0.563 742 G N 4.427 112.542 108.800 -1.142 0.000 2.268 742 G HA2 -0.325 3.639 3.960 0.006 0.000 0.240 742 G HA3 -0.325 3.639 3.960 0.006 0.000 0.240 742 G C 0.559 175.277 174.900 -0.304 0.000 1.010 742 G CA 0.171 44.808 45.100 -0.772 0.000 0.618 742 G HN 0.835 nan 8.290 nan 0.000 0.516 743 R N 0.394 120.691 120.500 -0.339 0.000 2.491 743 R HA 0.555 4.899 4.340 0.006 0.000 0.283 743 R C -0.628 175.308 176.300 -0.606 0.000 1.072 743 R CA 0.267 56.127 56.100 -0.400 0.000 1.048 743 R CB 1.010 31.091 30.300 -0.364 0.000 0.983 743 R HN 0.418 nan 8.270 nan 0.000 0.450 744 V N 5.737 125.274 119.914 -0.628 0.000 2.789 744 V HA 0.459 4.583 4.120 0.006 0.000 0.311 744 V C -1.769 174.035 176.094 -0.482 0.000 1.073 744 V CA -0.684 61.212 62.300 -0.673 0.000 0.921 744 V CB 1.874 33.301 31.823 -0.660 0.000 1.009 744 V HN 0.741 nan 8.190 nan 0.000 0.426 745 Y N 5.925 126.146 120.300 -0.132 0.000 2.341 745 Y HA 0.713 5.267 4.550 0.006 0.000 0.338 745 Y C 0.123 175.965 175.900 -0.097 0.000 0.965 745 Y CA -0.732 57.331 58.100 -0.061 0.000 1.108 745 Y CB 1.764 40.173 38.460 -0.086 0.000 1.180 745 Y HN 0.432 nan 8.280 nan 0.000 0.458 746 I N 2.775 123.366 120.570 0.034 0.000 2.466 746 I HA 0.585 4.759 4.170 0.006 0.000 0.289 746 I C -0.372 175.677 176.117 -0.112 0.000 1.026 746 I CA -1.145 60.082 61.300 -0.122 0.000 1.078 746 I CB 1.885 39.665 38.000 -0.367 0.000 1.249 746 I HN 0.722 nan 8.210 nan 0.000 0.429 747 A N 4.393 127.151 122.820 -0.104 0.000 2.409 747 A HA 0.573 4.896 4.320 0.006 0.000 0.267 747 A C 0.312 177.818 177.584 -0.130 0.000 1.127 747 A CA -0.114 51.867 52.037 -0.094 0.000 0.795 747 A CB 0.049 19.006 19.000 -0.071 0.000 1.061 747 A HN 0.756 nan 8.150 nan 0.000 0.502 748 T N -0.169 114.313 114.554 -0.120 0.000 2.949 748 T HA 0.447 4.801 4.350 0.006 0.000 0.287 748 T C -0.102 174.527 174.700 -0.117 0.000 1.034 748 T CA -0.879 61.140 62.100 -0.136 0.000 1.018 748 T CB 1.271 70.067 68.868 -0.121 0.000 1.135 748 T HN 0.411 nan 8.240 nan 0.000 0.532 749 N N 0.149 118.752 118.700 -0.160 0.000 3.194 749 N HA 0.394 5.138 4.740 0.006 0.000 0.271 749 N C 0.866 176.417 175.510 0.068 0.000 1.308 749 N CA 0.510 53.508 53.050 -0.086 0.000 1.042 749 N CB -0.228 38.117 38.487 -0.236 0.000 1.310 749 N HN 1.166 nan 8.380 nan 0.000 0.502 750 G N 1.589 110.422 108.800 0.054 0.000 2.227 750 G HA2 -0.138 3.826 3.960 0.006 0.000 0.168 750 G HA3 -0.138 3.826 3.960 0.006 0.000 0.168 750 G C 0.609 175.558 174.900 0.082 0.000 1.006 750 G CA -0.466 44.694 45.100 0.099 0.000 0.684 750 G HN 0.386 nan 8.290 nan 0.000 0.489 751 R N 0.654 121.171 120.500 0.029 0.000 2.629 751 R HA 0.467 4.811 4.340 0.006 0.000 0.386 751 R C 1.416 177.735 176.300 0.031 0.000 1.071 751 R CA 0.753 56.893 56.100 0.067 0.000 1.104 751 R CB 0.122 30.466 30.300 0.074 0.000 1.370 751 R HN 1.403 nan 8.270 nan 0.000 0.574 752 G N 1.530 110.345 108.800 0.025 0.000 2.564 752 G HA2 -0.323 3.640 3.960 0.006 0.000 0.273 752 G HA3 -0.323 3.640 3.960 0.006 0.000 0.273 752 G C -0.087 174.792 174.900 -0.035 0.000 1.242 752 G CA -0.209 44.897 45.100 0.010 0.000 0.951 752 G HN 0.239 nan 8.290 nan 0.000 0.564 753 I N 1.251 121.801 120.570 -0.034 0.000 2.321 753 I HA 0.503 4.676 4.170 0.006 0.000 0.291 753 I C 0.788 176.892 176.117 -0.022 0.000 0.998 753 I CA -0.874 60.398 61.300 -0.046 0.000 1.227 753 I CB 1.443 39.393 38.000 -0.083 0.000 1.368 753 I HN 0.665 nan 8.210 nan 0.000 0.466 754 V N 4.814 124.694 119.914 -0.057 0.000 2.630 754 V HA 0.657 4.781 4.120 0.006 0.000 0.305 754 V C -0.925 175.293 176.094 0.207 0.000 1.046 754 V CA -0.638 61.645 62.300 -0.029 0.000 0.934 754 V CB 1.401 32.969 31.823 -0.425 0.000 1.003 754 V HN 0.699 nan 8.190 nan 0.000 0.451 755 Y N 1.566 121.918 120.300 0.088 0.000 2.512 755 Y HA 0.978 5.532 4.550 0.006 0.000 0.348 755 Y C -0.120 175.697 175.900 -0.139 0.000 0.990 755 Y CA -0.610 57.470 58.100 -0.034 0.000 1.033 755 Y CB 2.005 40.363 38.460 -0.170 0.000 1.259 755 Y HN 1.038 nan 8.280 nan 0.000 0.461 756 G N 2.016 110.471 108.800 -0.576 0.000 2.524 756 G HA2 0.641 4.605 3.960 0.006 0.000 0.310 756 G HA3 0.641 4.605 3.960 0.006 0.000 0.310 756 G C -1.839 172.652 174.900 -0.681 0.000 1.279 756 G CA -1.027 43.341 45.100 -1.221 0.000 0.974 756 G HN 0.727 nan 8.290 nan 0.000 0.484 757 E N 0.855 120.548 120.200 -0.846 0.000 2.356 757 E HA 0.330 4.684 4.350 0.006 0.000 0.275 757 E C -2.713 173.062 176.600 -1.374 0.000 0.904 757 E CA -1.890 53.984 56.400 -0.877 0.000 0.757 757 E CB 3.270 32.682 29.700 -0.480 0.000 1.232 757 E HN 0.197 nan 8.360 nan 0.000 0.442 758 P HA -0.071 nan 4.420 nan 0.000 0.264 758 P C -0.900 176.105 177.300 -0.491 0.000 1.183 758 P CA 0.311 62.848 63.100 -0.940 0.000 0.763 758 P CB 0.394 31.840 31.700 -0.424 0.000 0.807 759 A N 3.372 126.005 122.820 -0.311 0.000 2.483 759 A HA 0.299 4.622 4.320 0.006 0.000 0.238 759 A C 0.670 178.182 177.584 -0.119 0.000 1.070 759 A CA 0.478 52.410 52.037 -0.175 0.000 0.770 759 A CB -0.227 18.723 19.000 -0.084 0.000 1.008 759 A HN 0.502 nan 8.150 nan 0.000 0.497 760 S N 0.000 115.644 115.700 -0.093 0.000 2.498 760 S HA 0.000 4.474 4.470 0.006 0.000 0.327 760 S CA 0.000 58.164 58.200 -0.060 0.000 1.107 760 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 760 S HN 0.000 nan 8.310 nan 0.000 0.517