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 3g93_1_D DATA FIRST_RESID 28 DATA SEQUENCE GKLPPGPSPL PVLGNLLQMD RKGLLRSFLR LREKYGDVFT VYLGSRPVVV DATA SEQUENCE LCGTDAIREA LVDQAEAFSG RGKIAVVDPI FQGYGVIFAN GERWRALRRF DATA SEQUENCE SLATMXXXXX XXXSVEERIQ EEARCLVEEL RKSKGALLDN TLLFHSITSN DATA SEQUENCE IICSIVFGKR FDYKDPVFLR LLDLFFQSFS LISSFSSQVF ELFSGFLKYF DATA SEQUENCE PGTHRQIYRN LQEINTFIGQ SVEKHRATLD PSNPRDFIDV YLLRMEKDXX DATA SEQUENCE XXXXXXXHQN LILTVLSLFF AGTETTSTTL RYGFLLMLKY PHVTERVQKE DATA SEQUENCE IEQVIGSHRP PALDDRAKMP YTDAVIHEIQ RLGDLIPFGV PHTVTKDTQF DATA SEQUENCE RGYVIPKNTE VFPVLSSALH DPRYFETPNT FNPGHFLDAN GALKRNEGFM DATA SEQUENCE PFSLGKRICL GEGIARTELF LFFTTILQNF SIASPVPPED IDLTPXXXXX DATA SEQUENCE XXVPPSYQIR FLAR 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 28 G C 0.000 174.957 174.900 0.095 0.000 0.946 28 G CA 0.000 45.140 45.100 0.067 0.000 0.502 29 K N 1.703 122.195 120.400 0.154 0.000 2.352 29 K HA 0.971 5.292 4.320 0.001 0.000 0.240 29 K C -0.069 176.647 176.600 0.193 0.000 1.017 29 K CA -0.874 55.513 56.287 0.166 0.000 0.851 29 K CB 1.050 33.656 32.500 0.178 0.000 1.261 29 K HN 0.530 nan 8.250 nan 0.000 0.451 30 L N 1.551 122.827 121.223 0.089 0.000 2.418 30 L HA 0.335 4.676 4.340 0.001 0.000 0.265 30 L C -1.985 174.769 176.870 -0.195 0.000 1.143 30 L CA -1.904 52.931 54.840 -0.008 0.000 0.809 30 L CB 1.404 43.447 42.059 -0.026 0.000 1.124 30 L HN 0.519 nan 8.230 nan 0.000 0.456 31 P HA 0.016 nan 4.420 nan 0.000 0.261 31 P C -2.333 174.747 177.300 -0.367 0.000 1.183 31 P CA -0.585 62.025 63.100 -0.816 0.000 0.761 31 P CB -0.170 31.228 31.700 -0.504 0.000 0.785 32 P HA 0.261 nan 4.420 nan 0.000 0.271 32 P C 0.088 177.319 177.300 -0.114 0.000 1.233 32 P CA 0.305 63.406 63.100 0.002 0.000 0.789 32 P CB 0.811 32.658 31.700 0.245 0.000 0.951 33 G N -0.310 108.318 108.800 -0.288 0.000 2.441 33 G HA2 0.474 4.435 3.960 0.001 0.000 0.294 33 G HA3 0.474 4.435 3.960 0.001 0.000 0.294 33 G C -3.392 171.153 174.900 -0.593 0.000 1.393 33 G CA -0.882 43.755 45.100 -0.773 0.000 0.796 33 G HN 0.249 nan 8.290 nan 0.000 0.494 34 P HA 0.398 nan 4.420 nan 0.000 0.278 34 P C -0.096 177.225 177.300 0.035 0.000 1.238 34 P CA -0.246 62.833 63.100 -0.036 0.000 0.794 34 P CB 1.200 32.897 31.700 -0.004 0.000 0.955 35 S N 3.739 119.470 115.700 0.050 0.000 2.564 35 S HA 0.360 4.831 4.470 0.001 0.000 0.278 35 S C -2.092 172.481 174.600 -0.044 0.000 1.333 35 S CA -0.647 57.551 58.200 -0.004 0.000 1.048 35 S CB -0.467 62.734 63.200 0.003 0.000 0.900 35 S HN 0.395 nan 8.310 nan 0.000 0.505 36 P HA 0.580 nan 4.420 nan 0.000 0.283 36 P C -1.090 176.132 177.300 -0.131 0.000 1.278 36 P CA -0.794 62.190 63.100 -0.192 0.000 0.834 36 P CB 0.600 31.975 31.700 -0.542 0.000 1.150 37 L N 1.246 122.421 121.223 -0.080 0.000 2.334 37 L HA 0.534 4.875 4.340 0.001 0.000 0.273 37 L C -2.280 174.562 176.870 -0.047 0.000 1.013 37 L CA -2.308 52.506 54.840 -0.044 0.000 0.816 37 L CB 1.291 43.349 42.059 -0.002 0.000 1.278 37 L HN 0.213 nan 8.230 nan 0.000 0.431 38 P HA 0.044 nan 4.420 nan 0.000 0.264 38 P C 0.567 177.881 177.300 0.022 0.000 1.183 38 P CA 0.338 63.432 63.100 -0.010 0.000 0.763 38 P CB 0.610 32.316 31.700 0.011 0.000 0.807 39 V N 1.138 121.068 119.914 0.028 0.000 0.481 39 V HA -0.356 3.765 4.120 0.001 0.000 0.092 39 V C 1.820 177.937 176.094 0.037 0.000 2.400 39 V CA 2.258 64.592 62.300 0.057 0.000 3.646 39 V CB -1.988 29.908 31.823 0.121 0.000 0.927 39 V HN 0.507 nan 8.190 nan 0.000 0.973 40 L N 0.024 121.267 121.223 0.034 0.000 2.249 40 L HA 0.514 4.855 4.340 0.001 0.000 0.207 40 L C 1.807 178.707 176.870 0.049 0.000 1.090 40 L CA 1.222 56.086 54.840 0.039 0.000 0.802 40 L CB -0.334 41.753 42.059 0.047 0.000 0.947 40 L HN 0.953 nan 8.230 nan 0.000 0.453 41 G N 1.106 109.924 108.800 0.029 0.000 2.531 41 G HA2 -0.384 3.577 3.960 0.001 0.000 0.274 41 G HA3 -0.384 3.577 3.960 0.001 0.000 0.274 41 G C 0.237 175.174 174.900 0.063 0.000 1.159 41 G CA 0.526 45.653 45.100 0.046 0.000 0.969 41 G HN 0.396 nan 8.290 nan 0.000 0.554 42 N N 0.507 119.284 118.700 0.127 0.000 2.268 42 N HA 0.342 5.083 4.740 0.001 0.000 0.204 42 N C 1.831 177.400 175.510 0.097 0.000 1.124 42 N CA -0.191 52.927 53.050 0.113 0.000 0.838 42 N CB 0.185 38.764 38.487 0.153 0.000 0.994 42 N HN 0.336 nan 8.380 nan 0.000 0.489 43 L N 0.618 121.894 121.223 0.089 0.000 2.349 43 L HA -0.096 4.245 4.340 0.001 0.000 0.220 43 L C 2.264 179.184 176.870 0.084 0.000 1.130 43 L CA 1.125 56.014 54.840 0.082 0.000 0.791 43 L CB -0.495 41.609 42.059 0.075 0.000 0.918 43 L HN 0.348 nan 8.230 nan 0.000 0.444 44 L N -2.930 118.341 121.223 0.079 0.000 2.529 44 L HA 0.078 4.419 4.340 0.001 0.000 0.223 44 L C 1.998 178.905 176.870 0.060 0.000 1.113 44 L CA 0.790 55.675 54.840 0.075 0.000 0.861 44 L CB -0.871 41.230 42.059 0.070 0.000 1.012 44 L HN 0.313 nan 8.230 nan 0.000 0.461 45 Q N -0.078 119.759 119.800 0.062 0.000 2.220 45 Q HA 0.598 4.938 4.340 0.001 0.000 0.205 45 Q C 0.859 176.891 176.000 0.054 0.000 0.865 45 Q CA 0.515 56.352 55.803 0.057 0.000 0.960 45 Q CB 0.125 28.902 28.738 0.065 0.000 1.097 45 Q HN 0.746 nan 8.270 nan 0.000 0.493 46 M N 0.160 119.788 119.600 0.047 0.000 2.233 46 M HA 0.239 4.720 4.480 0.001 0.000 0.350 46 M C -0.079 176.235 176.300 0.023 0.000 1.176 46 M CA -0.467 54.850 55.300 0.028 0.000 1.150 46 M CB 0.031 32.637 32.600 0.011 0.000 1.530 46 M HN -0.008 nan 8.290 nan 0.000 0.459 47 D N 1.830 122.239 120.400 0.016 0.000 2.449 47 D HA 0.454 5.094 4.640 0.001 0.000 0.236 47 D C 1.730 178.037 176.300 0.012 0.000 1.149 47 D CA 1.114 55.124 54.000 0.016 0.000 0.878 47 D CB 0.820 41.630 40.800 0.016 0.000 1.198 47 D HN 0.752 nan 8.370 nan 0.000 0.446 48 R N 2.645 123.153 120.500 0.012 0.000 2.200 48 R HA -0.127 4.214 4.340 0.001 0.000 0.234 48 R C 2.083 178.388 176.300 0.009 0.000 1.127 48 R CA 2.326 58.432 56.100 0.010 0.000 0.989 48 R CB -1.617 28.687 30.300 0.007 0.000 0.869 48 R HN 0.565 nan 8.270 nan 0.000 0.459 49 K N -0.207 120.198 120.400 0.009 0.000 2.365 49 K HA 0.384 4.704 4.320 0.001 0.000 0.199 49 K C 1.312 177.915 176.600 0.005 0.000 1.045 49 K CA 1.084 57.376 56.287 0.007 0.000 0.962 49 K CB -0.703 31.803 32.500 0.009 0.000 0.759 49 K HN 1.807 nan 8.250 nan 0.000 0.469 50 G N -3.964 104.836 108.800 0.000 0.000 2.428 50 G HA2 0.371 4.332 3.960 0.001 0.000 0.681 50 G HA3 0.371 4.332 3.960 0.001 0.000 0.681 50 G C 0.934 175.815 174.900 -0.031 0.000 1.340 50 G CA 0.024 45.122 45.100 -0.003 0.000 0.915 50 G HN 1.231 nan 8.290 nan 0.000 0.645 51 L N 0.145 121.336 121.223 -0.052 0.000 2.081 51 L HA 0.164 4.505 4.340 0.001 0.000 0.212 51 L C 3.064 179.780 176.870 -0.255 0.000 1.080 51 L CA 3.325 58.037 54.840 -0.213 0.000 0.754 51 L CB -1.424 40.474 42.059 -0.267 0.000 0.893 51 L HN 1.172 nan 8.230 nan 0.000 0.433 52 L N 0.010 121.240 121.223 0.011 0.000 1.994 52 L HA -0.082 4.258 4.340 0.001 0.000 0.208 52 L C 3.313 180.213 176.870 0.049 0.000 1.071 52 L CA 2.781 57.648 54.840 0.045 0.000 0.745 52 L CB -0.957 41.070 42.059 -0.054 0.000 0.892 52 L HN 0.544 nan 8.230 nan 0.000 0.431 53 R N -0.854 119.655 120.500 0.014 0.000 2.103 53 R HA -0.181 4.160 4.340 0.001 0.000 0.242 53 R C 2.260 178.599 176.300 0.066 0.000 1.142 53 R CA 2.059 58.180 56.100 0.035 0.000 0.960 53 R CB -2.040 28.271 30.300 0.017 0.000 0.858 53 R HN 0.627 nan 8.270 nan 0.000 0.439 54 S N 0.443 116.157 115.700 0.023 0.000 2.353 54 S HA -0.094 4.377 4.470 0.001 0.000 0.222 54 S C 1.883 176.609 174.600 0.210 0.000 1.035 54 S CA 1.379 59.609 58.200 0.051 0.000 1.025 54 S CB -0.441 62.733 63.200 -0.043 0.000 0.902 54 S HN 0.516 nan 8.310 nan 0.000 0.440 55 F N 1.370 121.453 119.950 0.221 0.000 2.154 55 F HA -0.066 4.462 4.527 0.001 0.000 0.301 55 F C 2.107 178.068 175.800 0.270 0.000 1.087 55 F CA 0.103 58.313 58.000 0.351 0.000 1.274 55 F CB -1.241 38.014 39.000 0.426 0.000 1.009 55 F HN 0.156 nan 8.300 nan 0.000 0.485 56 L N 0.826 122.260 121.223 0.353 0.000 2.005 56 L HA -0.115 4.226 4.340 0.001 0.000 0.207 56 L C 2.755 179.721 176.870 0.159 0.000 1.072 56 L CA 2.561 57.540 54.840 0.232 0.000 0.744 56 L CB -1.236 40.913 42.059 0.149 0.000 0.895 56 L HN 0.054 nan 8.230 nan 0.000 0.433 57 R N -0.002 120.569 120.500 0.118 0.000 2.091 57 R HA -0.134 4.207 4.340 0.001 0.000 0.238 57 R C 2.215 178.544 176.300 0.048 0.000 1.136 57 R CA 2.140 58.283 56.100 0.073 0.000 0.959 57 R CB -1.963 28.372 30.300 0.059 0.000 0.856 57 R HN 0.607 nan 8.270 nan 0.000 0.437 58 L N -0.270 120.963 121.223 0.016 0.000 2.042 58 L HA -0.202 4.139 4.340 0.001 0.000 0.210 58 L C 3.069 179.802 176.870 -0.228 0.000 1.076 58 L CA 2.073 56.799 54.840 -0.189 0.000 0.749 58 L CB -0.410 41.307 42.059 -0.570 0.000 0.893 58 L HN 0.477 nan 8.230 nan 0.000 0.432 59 R N 0.390 120.878 120.500 -0.020 0.000 2.083 59 R HA -0.226 4.115 4.340 0.001 0.000 0.237 59 R C 2.415 178.792 176.300 0.129 0.000 1.137 59 R CA 2.028 58.251 56.100 0.205 0.000 0.951 59 R CB -0.299 30.190 30.300 0.314 0.000 0.851 59 R HN 0.411 nan 8.270 nan 0.000 0.434 60 E N 0.344 120.596 120.200 0.086 0.000 2.097 60 E HA -0.262 4.089 4.350 0.001 0.000 0.196 60 E C 2.066 178.670 176.600 0.007 0.000 1.000 60 E CA 2.324 58.755 56.400 0.053 0.000 0.804 60 E CB -0.856 28.868 29.700 0.041 0.000 0.740 60 E HN 0.718 nan 8.360 nan 0.000 0.454 61 K N -0.854 119.525 120.400 -0.035 0.000 2.098 61 K HA 0.174 4.495 4.320 0.001 0.000 0.203 61 K C 2.026 178.458 176.600 -0.280 0.000 1.051 61 K CA 1.236 57.403 56.287 -0.201 0.000 0.957 61 K CB -0.447 31.852 32.500 -0.334 0.000 0.738 61 K HN 0.651 nan 8.250 nan 0.000 0.447 62 Y N -0.951 119.318 120.300 -0.052 0.000 2.462 62 Y HA 0.379 4.930 4.550 0.001 0.000 0.253 62 Y C 1.422 177.409 175.900 0.146 0.000 1.095 62 Y CA 0.056 58.169 58.100 0.022 0.000 1.283 62 Y CB 1.147 39.583 38.460 -0.040 0.000 1.138 62 Y HN 0.580 nan 8.280 nan 0.000 0.522 63 G N 0.332 109.316 108.800 0.306 0.000 2.466 63 G HA2 -0.228 3.733 3.960 0.001 0.000 0.316 63 G HA3 -0.228 3.733 3.960 0.001 0.000 0.316 63 G C -0.428 174.708 174.900 0.394 0.000 1.270 63 G CA -0.154 45.125 45.100 0.299 0.000 0.982 63 G HN 0.052 nan 8.290 nan 0.000 0.506 64 D N -0.800 119.772 120.400 0.285 0.000 2.269 64 D HA 0.179 4.820 4.640 0.001 0.000 0.208 64 D C 1.072 177.473 176.300 0.168 0.000 0.963 64 D CA 1.502 55.635 54.000 0.223 0.000 0.864 64 D CB 0.336 41.228 40.800 0.155 0.000 0.936 64 D HN 0.428 nan 8.370 nan 0.000 0.505 65 V N 1.563 121.618 119.914 0.234 0.000 2.525 65 V HA 0.432 4.553 4.120 0.001 0.000 0.299 65 V C -0.545 175.588 176.094 0.065 0.000 1.034 65 V CA -0.918 61.436 62.300 0.090 0.000 0.863 65 V CB 1.339 33.344 31.823 0.305 0.000 0.999 65 V HN 0.018 nan 8.190 nan 0.000 0.423 66 F N 1.307 121.197 119.950 -0.100 0.000 2.715 66 F HA 0.880 5.408 4.527 0.001 0.000 0.318 66 F C -0.496 175.140 175.800 -0.274 0.000 1.141 66 F CA -0.880 57.001 58.000 -0.197 0.000 0.950 66 F CB 1.951 40.860 39.000 -0.151 0.000 1.374 66 F HN 0.190 nan 8.300 nan 0.000 0.477 67 T N 1.914 116.468 114.554 -0.000 0.000 2.809 67 T HA 0.621 4.972 4.350 0.001 0.000 0.284 67 T C -1.283 173.343 174.700 -0.124 0.000 0.992 67 T CA -0.604 61.389 62.100 -0.179 0.000 0.957 67 T CB 1.481 70.205 68.868 -0.240 0.000 0.942 67 T HN 0.710 nan 8.240 nan 0.000 0.439 68 V N 3.551 123.354 119.914 -0.184 0.000 3.046 68 V HA 0.686 4.806 4.120 0.001 0.000 0.316 68 V C -1.783 174.181 176.094 -0.216 0.000 1.104 68 V CA -0.882 61.399 62.300 -0.031 0.000 1.006 68 V CB 2.143 34.078 31.823 0.186 0.000 1.058 68 V HN 0.878 nan 8.190 nan 0.000 0.440 69 Y N 4.479 124.784 120.300 0.008 0.000 2.326 69 Y HA 0.573 5.124 4.550 0.001 0.000 0.331 69 Y C -0.121 175.788 175.900 0.015 0.000 0.962 69 Y CA -0.600 57.494 58.100 -0.010 0.000 1.167 69 Y CB 1.624 40.074 38.460 -0.017 0.000 1.148 69 Y HN 0.342 nan 8.280 nan 0.000 0.463 70 L N 4.550 125.843 121.223 0.116 0.000 2.264 70 L HA 0.630 4.971 4.340 0.001 0.000 0.287 70 L C 0.918 177.836 176.870 0.080 0.000 1.039 70 L CA -0.335 54.562 54.840 0.095 0.000 0.829 70 L CB 0.397 42.503 42.059 0.079 0.000 1.211 70 L HN 0.961 nan 8.230 nan 0.000 0.427 71 G N 2.884 111.730 108.800 0.076 0.000 2.547 71 G HA2 -0.317 3.644 3.960 0.001 0.000 0.271 71 G HA3 -0.317 3.644 3.960 0.001 0.000 0.271 71 G C 0.645 175.589 174.900 0.074 0.000 1.209 71 G CA 0.220 45.349 45.100 0.048 0.000 0.959 71 G HN 0.545 nan 8.290 nan 0.000 0.563 72 S N 1.365 117.088 115.700 0.039 0.000 2.562 72 S HA 0.155 4.626 4.470 0.001 0.000 0.221 72 S C 1.035 175.720 174.600 0.141 0.000 0.975 72 S CA 0.550 58.781 58.200 0.052 0.000 0.918 72 S CB 0.009 63.200 63.200 -0.014 0.000 0.772 72 S HN 0.582 nan 8.310 nan 0.000 0.531 73 R N 2.668 123.230 120.500 0.104 0.000 2.308 73 R HA 0.380 4.721 4.340 0.001 0.000 0.305 73 R C -2.880 173.405 176.300 -0.025 0.000 1.053 73 R CA -2.562 53.563 56.100 0.041 0.000 0.957 73 R CB -0.345 29.938 30.300 -0.029 0.000 1.022 73 R HN 0.130 nan 8.270 nan 0.000 0.461 74 P HA 0.238 nan 4.420 nan 0.000 0.282 74 P C -0.732 176.297 177.300 -0.453 0.000 1.249 74 P CA -0.437 62.261 63.100 -0.671 0.000 0.806 74 P CB 1.568 32.905 31.700 -0.605 0.000 0.984 75 V N 3.197 122.796 119.914 -0.524 0.000 2.808 75 V HA 0.370 4.490 4.120 0.001 0.000 0.308 75 V C -1.124 174.639 176.094 -0.552 0.000 1.099 75 V CA -0.904 61.077 62.300 -0.531 0.000 0.920 75 V CB 2.409 33.818 31.823 -0.691 0.000 1.014 75 V HN 0.206 nan 8.190 nan 0.000 0.425 76 V N 6.748 126.363 119.914 -0.498 0.000 2.465 76 V HA 0.472 4.593 4.120 0.001 0.000 0.279 76 V C 0.035 175.785 176.094 -0.573 0.000 1.045 76 V CA -0.276 61.753 62.300 -0.453 0.000 0.938 76 V CB 1.630 33.276 31.823 -0.295 0.000 0.986 76 V HN 0.742 nan 8.190 nan 0.000 0.467 77 V N 6.319 125.795 119.914 -0.730 0.000 2.427 77 V HA 0.430 4.550 4.120 0.001 0.000 0.286 77 V C -0.376 175.289 176.094 -0.715 0.000 1.034 77 V CA -0.694 61.088 62.300 -0.863 0.000 0.893 77 V CB 1.565 32.538 31.823 -1.417 0.000 0.982 77 V HN 0.480 nan 8.190 nan 0.000 0.452 78 L N 4.712 125.682 121.223 -0.421 0.000 2.305 78 L HA 0.563 4.904 4.340 0.001 0.000 0.284 78 L C -0.263 176.511 176.870 -0.160 0.000 1.013 78 L CA -0.075 54.612 54.840 -0.255 0.000 0.819 78 L CB 1.140 43.063 42.059 -0.226 0.000 1.227 78 L HN 0.713 nan 8.230 nan 0.000 0.417 79 C N 1.869 121.124 119.300 -0.074 0.000 2.507 79 C HA 0.915 5.376 4.460 0.001 0.000 0.319 79 C C 0.537 175.561 174.990 0.057 0.000 1.208 79 C CA -0.564 58.468 59.018 0.022 0.000 1.619 79 C CB 0.940 28.747 27.740 0.111 0.000 2.230 79 C HN 1.077 nan 8.230 nan 0.000 0.492 80 G N 2.974 111.811 108.800 0.061 0.000 2.716 80 G HA2 -0.099 3.861 3.960 0.001 0.000 0.686 80 G HA3 -0.099 3.861 3.960 0.001 0.000 0.686 80 G C 0.295 175.191 174.900 -0.006 0.000 1.337 80 G CA -0.147 44.987 45.100 0.058 0.000 0.829 80 G HN 0.822 nan 8.290 nan 0.000 0.599 81 T N 0.909 115.419 114.554 -0.073 0.000 2.544 81 T HA -0.177 4.173 4.350 0.001 0.000 0.264 81 T C 1.970 176.600 174.700 -0.118 0.000 1.096 81 T CA 2.157 64.130 62.100 -0.211 0.000 1.181 81 T CB -0.440 68.034 68.868 -0.657 0.000 0.864 81 T HN 0.707 nan 8.240 nan 0.000 0.415 82 D N 1.614 121.988 120.400 -0.044 0.000 2.149 82 D HA -0.133 4.507 4.640 0.001 0.000 0.194 82 D C 2.360 178.670 176.300 0.017 0.000 1.001 82 D CA 1.499 55.505 54.000 0.010 0.000 0.849 82 D CB -0.435 40.403 40.800 0.063 0.000 0.939 82 D HN 0.477 nan 8.370 nan 0.000 0.449 83 A N 0.974 123.817 122.820 0.038 0.000 1.872 83 A HA -0.089 4.232 4.320 0.001 0.000 0.214 83 A C 2.435 180.071 177.584 0.087 0.000 1.187 83 A CA 0.708 52.811 52.037 0.110 0.000 0.614 83 A CB -0.649 18.423 19.000 0.119 0.000 0.826 83 A HN 0.149 nan 8.150 nan 0.000 0.442 84 I N -0.773 119.779 120.570 -0.029 0.000 2.226 84 I HA -0.268 3.903 4.170 0.001 0.000 0.245 84 I C 2.729 178.768 176.117 -0.130 0.000 1.100 84 I CA 1.825 63.051 61.300 -0.123 0.000 1.374 84 I CB -0.370 37.561 38.000 -0.116 0.000 1.057 84 I HN 0.421 nan 8.210 nan 0.000 0.413 85 R N 1.453 121.907 120.500 -0.076 0.000 2.073 85 R HA -0.197 4.144 4.340 0.001 0.000 0.234 85 R C 2.141 178.425 176.300 -0.026 0.000 1.134 85 R CA 1.721 57.786 56.100 -0.057 0.000 0.952 85 R CB -0.215 30.057 30.300 -0.047 0.000 0.850 85 R HN 0.335 nan 8.270 nan 0.000 0.433 86 E N -0.037 120.180 120.200 0.028 0.000 2.114 86 E HA -0.271 4.080 4.350 0.001 0.000 0.199 86 E C 1.914 178.582 176.600 0.113 0.000 1.008 86 E CA 1.576 58.041 56.400 0.107 0.000 0.810 86 E CB -0.168 29.627 29.700 0.158 0.000 0.739 86 E HN 0.554 nan 8.360 nan 0.000 0.456 87 A N 1.030 123.794 122.820 -0.093 0.000 1.832 87 A HA -0.093 4.228 4.320 0.001 0.000 0.214 87 A C 2.198 179.474 177.584 -0.513 0.000 1.204 87 A CA 0.867 52.430 52.037 -0.791 0.000 0.606 87 A CB -0.649 17.340 19.000 -1.685 0.000 0.849 87 A HN 0.113 nan 8.150 nan 0.000 0.445 88 L N -0.718 120.293 121.223 -0.353 0.000 2.156 88 L HA -0.094 4.246 4.340 0.001 0.000 0.208 88 L C 2.285 179.145 176.870 -0.017 0.000 1.095 88 L CA 0.734 55.483 54.840 -0.152 0.000 0.770 88 L CB -0.279 41.692 42.059 -0.148 0.000 0.914 88 L HN 0.270 nan 8.230 nan 0.000 0.439 89 V N -1.053 118.851 119.914 -0.016 0.000 2.602 89 V HA -0.087 4.034 4.120 0.001 0.000 0.235 89 V C 1.864 177.993 176.094 0.058 0.000 1.087 89 V CA 1.086 63.404 62.300 0.029 0.000 1.117 89 V CB -0.107 31.727 31.823 0.018 0.000 0.820 89 V HN 0.254 nan 8.190 nan 0.000 0.490 90 D N 0.224 120.661 120.400 0.063 0.000 2.117 90 D HA -0.129 4.512 4.640 0.001 0.000 0.197 90 D C 1.539 177.915 176.300 0.127 0.000 0.987 90 D CA 1.221 55.274 54.000 0.088 0.000 0.829 90 D CB -0.057 40.797 40.800 0.090 0.000 0.961 90 D HN 0.441 nan 8.370 nan 0.000 0.460 91 Q N -0.175 119.732 119.800 0.178 0.000 2.404 91 Q HA 0.459 4.800 4.340 0.001 0.000 0.368 91 Q C 0.876 177.038 176.000 0.270 0.000 0.939 91 Q CA -0.344 55.611 55.803 0.253 0.000 1.099 91 Q CB 1.311 30.307 28.738 0.430 0.000 1.284 91 Q HN 0.084 nan 8.270 nan 0.000 0.421 92 A N 1.128 124.053 122.820 0.174 0.000 1.892 92 A HA -0.292 4.029 4.320 0.001 0.000 0.218 92 A C 2.199 179.878 177.584 0.160 0.000 1.188 92 A CA 2.298 54.434 52.037 0.165 0.000 0.631 92 A CB -0.521 18.553 19.000 0.122 0.000 0.822 92 A HN 0.595 nan 8.150 nan 0.000 0.447 93 E N -0.528 119.740 120.200 0.114 0.000 2.153 93 E HA 0.033 4.384 4.350 0.001 0.000 0.194 93 E C 2.219 178.842 176.600 0.038 0.000 0.988 93 E CA 1.983 58.423 56.400 0.067 0.000 0.811 93 E CB -1.084 28.645 29.700 0.048 0.000 0.746 93 E HN 1.052 nan 8.360 nan 0.000 0.466 94 A N -0.870 121.979 122.820 0.048 0.000 1.969 94 A HA 0.266 4.587 4.320 0.001 0.000 0.218 94 A C 1.540 178.976 177.584 -0.248 0.000 1.169 94 A CA 1.115 53.087 52.037 -0.107 0.000 0.635 94 A CB -0.189 18.733 19.000 -0.131 0.000 0.810 94 A HN 0.467 nan 8.150 nan 0.000 0.445 95 F N 0.135 120.078 119.950 -0.011 0.000 2.750 95 F HA 0.159 4.687 4.527 0.001 0.000 0.297 95 F C 1.609 177.488 175.800 0.132 0.000 1.138 95 F CA 0.427 58.428 58.000 0.000 0.000 1.346 95 F CB 0.558 39.519 39.000 -0.065 0.000 0.965 95 F HN 0.221 nan 8.300 nan 0.000 0.514 96 S N -1.800 114.005 115.700 0.176 0.000 2.539 96 S HA 0.280 4.751 4.470 0.001 0.000 0.221 96 S C 1.164 175.680 174.600 -0.139 0.000 0.987 96 S CA -0.186 58.071 58.200 0.096 0.000 0.929 96 S CB -0.076 63.136 63.200 0.020 0.000 0.832 96 S HN 0.185 nan 8.310 nan 0.000 0.492 97 G N 1.909 110.649 108.800 -0.100 0.000 2.491 97 G HA2 0.423 4.384 3.960 0.001 0.000 0.242 97 G HA3 0.423 4.384 3.960 0.001 0.000 0.242 97 G C -0.024 174.755 174.900 -0.202 0.000 1.266 97 G CA -0.761 44.245 45.100 -0.157 0.000 0.844 97 G HN 0.420 nan 8.290 nan 0.000 0.571 98 R N 0.448 120.828 120.500 -0.201 0.000 2.549 98 R HA 0.533 4.874 4.340 0.001 0.000 0.259 98 R C 0.787 177.029 176.300 -0.097 0.000 1.095 98 R CA -0.369 55.626 56.100 -0.175 0.000 1.148 98 R CB 0.521 30.714 30.300 -0.178 0.000 1.181 98 R HN 0.547 nan 8.270 nan 0.000 0.571 99 G N -0.597 108.165 108.800 -0.062 0.000 2.539 99 G HA2 0.289 4.249 3.960 0.001 0.000 0.258 99 G HA3 0.289 4.249 3.960 0.001 0.000 0.258 99 G C 1.014 175.892 174.900 -0.037 0.000 1.202 99 G CA -0.037 45.044 45.100 -0.031 0.000 0.851 99 G HN 0.629 nan 8.290 nan 0.000 0.556 100 K N 0.617 120.998 120.400 -0.031 0.000 2.218 100 K HA -0.115 4.206 4.320 0.001 0.000 0.205 100 K C 2.146 178.735 176.600 -0.018 0.000 1.046 100 K CA 1.804 58.070 56.287 -0.034 0.000 0.933 100 K CB -0.771 31.707 32.500 -0.037 0.000 0.728 100 K HN 0.629 nan 8.250 nan 0.000 0.454 101 I N -0.110 120.464 120.570 0.008 0.000 2.493 101 I HA -0.107 4.064 4.170 0.001 0.000 0.254 101 I C 2.567 178.696 176.117 0.019 0.000 1.160 101 I CA 1.118 62.449 61.300 0.051 0.000 1.445 101 I CB -0.175 37.867 38.000 0.071 0.000 1.086 101 I HN 0.368 nan 8.210 nan 0.000 0.433 102 A N 0.517 123.325 122.820 -0.020 0.000 2.345 102 A HA 0.313 4.633 4.320 0.001 0.000 0.225 102 A C 0.683 178.229 177.584 -0.063 0.000 1.243 102 A CA -0.004 52.009 52.037 -0.040 0.000 0.875 102 A CB -0.083 18.882 19.000 -0.058 0.000 0.929 102 A HN 0.125 nan 8.150 nan 0.000 0.502 103 V N 0.866 120.742 119.914 -0.063 0.000 2.370 103 V HA 0.325 4.446 4.120 0.001 0.000 0.279 103 V C 0.386 176.432 176.094 -0.080 0.000 1.029 103 V CA -0.730 61.522 62.300 -0.082 0.000 0.870 103 V CB 1.195 32.969 31.823 -0.081 0.000 0.984 103 V HN 0.191 nan 8.190 nan 0.000 0.451 104 V N 3.881 123.739 119.914 -0.093 0.000 2.686 104 V HA 0.360 4.481 4.120 0.001 0.000 0.295 104 V C -0.019 176.012 176.094 -0.105 0.000 1.055 104 V CA -0.099 62.147 62.300 -0.090 0.000 1.050 104 V CB 1.622 33.392 31.823 -0.088 0.000 0.984 104 V HN 0.973 nan 8.190 nan 0.000 0.482 105 D N 6.783 127.138 120.400 -0.075 0.000 2.359 105 D HA 0.423 5.064 4.640 0.001 0.000 0.230 105 D C -1.855 174.402 176.300 -0.073 0.000 1.118 105 D CA -2.180 51.792 54.000 -0.046 0.000 0.844 105 D CB 2.048 42.874 40.800 0.043 0.000 1.059 105 D HN 0.384 nan 8.370 nan 0.000 0.493 106 P HA -0.058 nan 4.420 nan 0.000 0.217 106 P C 1.681 178.869 177.300 -0.187 0.000 1.150 106 P CA 0.785 63.632 63.100 -0.421 0.000 0.832 106 P CB 0.251 31.338 31.700 -1.022 0.000 0.787 107 I N -2.629 117.883 120.570 -0.096 0.000 2.399 107 I HA -0.262 3.909 4.170 0.001 0.000 0.254 107 I C 1.872 177.865 176.117 -0.206 0.000 1.146 107 I CA 1.656 62.886 61.300 -0.116 0.000 1.412 107 I CB -0.549 37.393 38.000 -0.096 0.000 1.076 107 I HN -0.104 nan 8.210 nan 0.000 0.432 108 F N -0.313 119.586 119.950 -0.084 0.000 2.383 108 F HA 0.029 4.557 4.527 0.001 0.000 0.287 108 F C 2.512 178.278 175.800 -0.058 0.000 1.069 108 F CA 0.682 58.645 58.000 -0.061 0.000 1.402 108 F CB 0.006 38.971 39.000 -0.058 0.000 1.116 108 F HN -0.136 nan 8.300 nan 0.000 0.549 109 Q N -0.352 119.507 119.800 0.099 0.000 2.317 109 Q HA 0.300 4.641 4.340 0.001 0.000 0.220 109 Q C 0.558 176.558 176.000 -0.001 0.000 0.873 109 Q CA 0.271 56.098 55.803 0.040 0.000 0.936 109 Q CB 1.019 29.768 28.738 0.020 0.000 1.105 109 Q HN 0.337 nan 8.270 nan 0.000 0.520 110 G N 0.122 108.887 108.800 -0.059 0.000 2.846 110 G HA2 -0.301 3.660 3.960 0.001 0.000 0.660 110 G HA3 -0.301 3.660 3.960 0.001 0.000 0.660 110 G C -0.576 174.277 174.900 -0.078 0.000 1.464 110 G CA -0.518 44.551 45.100 -0.051 0.000 0.891 110 G HN 0.218 nan 8.290 nan 0.000 0.552 111 Y N 0.329 120.676 120.300 0.079 0.000 2.296 111 Y HA 0.391 4.941 4.550 0.001 0.000 0.396 111 Y C 2.314 178.322 175.900 0.180 0.000 1.347 111 Y CA 0.903 59.074 58.100 0.119 0.000 1.875 111 Y CB -0.084 38.514 38.460 0.230 0.000 1.685 111 Y HN 2.004 nan 8.280 nan 0.000 0.642 112 G N -0.720 108.417 108.800 0.561 0.000 2.708 112 G HA2 -0.399 3.561 3.960 0.001 0.000 0.229 112 G HA3 -0.399 3.561 3.960 0.001 0.000 0.229 112 G C 1.210 176.262 174.900 0.252 0.000 1.236 112 G CA 0.937 46.294 45.100 0.429 0.000 0.749 112 G HN 1.041 nan 8.290 nan 0.000 0.515 113 V N 2.287 122.292 119.914 0.151 0.000 2.515 113 V HA 0.029 4.150 4.120 0.001 0.000 0.250 113 V C 2.583 178.703 176.094 0.044 0.000 1.058 113 V CA 2.383 64.732 62.300 0.082 0.000 1.064 113 V CB -0.436 31.413 31.823 0.044 0.000 0.675 113 V HN 0.624 nan 8.190 nan 0.000 0.461 114 I N -0.498 120.070 120.570 -0.003 0.000 2.099 114 I HA -0.226 3.945 4.170 0.001 0.000 0.239 114 I C 2.507 178.531 176.117 -0.157 0.000 1.066 114 I CA 2.422 63.632 61.300 -0.150 0.000 1.324 114 I CB -0.729 37.089 38.000 -0.303 0.000 1.037 114 I HN 0.318 nan 8.210 nan 0.000 0.401 115 F N 1.075 121.066 119.950 0.068 0.000 2.146 115 F HA -0.131 4.397 4.527 0.001 0.000 0.298 115 F C 2.703 178.535 175.800 0.052 0.000 1.096 115 F CA 1.280 59.315 58.000 0.058 0.000 1.275 115 F CB -1.047 37.988 39.000 0.058 0.000 1.008 115 F HN 0.004 nan 8.300 nan 0.000 0.480 116 A N 0.662 123.614 122.820 0.221 0.000 1.873 116 A HA -0.276 4.045 4.320 0.001 0.000 0.218 116 A C 2.160 179.810 177.584 0.110 0.000 1.193 116 A CA 2.262 54.380 52.037 0.136 0.000 0.629 116 A CB -1.068 17.992 19.000 0.100 0.000 0.826 116 A HN 0.370 nan 8.150 nan 0.000 0.447 117 N N 0.104 118.855 118.700 0.085 0.000 2.037 117 N HA -0.166 4.575 4.740 0.001 0.000 0.196 117 N C 1.853 177.434 175.510 0.119 0.000 1.034 117 N CA 1.758 54.855 53.050 0.078 0.000 0.861 117 N CB -1.203 37.300 38.487 0.026 0.000 1.039 117 N HN 0.500 nan 8.380 nan 0.000 0.427 118 G N 0.325 109.181 108.800 0.093 0.000 2.631 118 G HA2 -0.391 3.570 3.960 0.001 0.000 0.219 118 G HA3 -0.391 3.570 3.960 0.001 0.000 0.219 118 G C 1.707 176.739 174.900 0.220 0.000 1.214 118 G CA 2.673 47.855 45.100 0.136 0.000 0.785 118 G HN 0.566 nan 8.290 nan 0.000 0.596 119 E N 0.679 120.988 120.200 0.182 0.000 2.077 119 E HA -0.129 4.222 4.350 0.001 0.000 0.193 119 E C 2.438 179.119 176.600 0.135 0.000 0.989 119 E CA 1.563 58.053 56.400 0.151 0.000 0.800 119 E CB -0.583 29.182 29.700 0.108 0.000 0.746 119 E HN 0.590 nan 8.360 nan 0.000 0.452 120 R N -1.535 119.040 120.500 0.125 0.000 2.112 120 R HA -0.185 4.156 4.340 0.001 0.000 0.242 120 R C 2.267 178.657 176.300 0.150 0.000 1.137 120 R CA 1.935 58.097 56.100 0.104 0.000 0.944 120 R CB -0.596 29.762 30.300 0.097 0.000 0.857 120 R HN 0.687 nan 8.270 nan 0.000 0.435 121 W N 1.827 123.146 121.300 0.031 0.000 2.301 121 W HA -0.254 4.407 4.660 0.001 0.000 0.325 121 W C 2.253 178.805 176.519 0.055 0.000 1.250 121 W CA 1.708 59.077 57.345 0.040 0.000 1.261 121 W CB -0.282 29.196 29.460 0.030 0.000 1.157 121 W HN -0.022 nan 8.180 nan 0.000 0.473 122 R N -0.078 120.533 120.500 0.186 0.000 2.103 122 R HA -0.214 4.127 4.340 0.001 0.000 0.242 122 R C 2.319 178.565 176.300 -0.089 0.000 1.142 122 R CA 1.768 57.863 56.100 -0.009 0.000 0.960 122 R CB -1.381 28.998 30.300 0.132 0.000 0.858 122 R HN 0.331 nan 8.270 nan 0.000 0.439 123 A N 1.556 124.365 122.820 -0.019 0.000 1.873 123 A HA -0.201 4.120 4.320 0.001 0.000 0.218 123 A C 2.198 179.770 177.584 -0.020 0.000 1.193 123 A CA 1.441 53.466 52.037 -0.020 0.000 0.629 123 A CB -0.611 18.377 19.000 -0.020 0.000 0.826 123 A HN 0.266 nan 8.150 nan 0.000 0.447 124 L N -0.813 120.380 121.223 -0.051 0.000 2.046 124 L HA -0.106 4.235 4.340 0.001 0.000 0.208 124 L C 2.452 179.313 176.870 -0.015 0.000 1.077 124 L CA 2.332 57.172 54.840 0.001 0.000 0.747 124 L CB -0.474 41.573 42.059 -0.019 0.000 0.896 124 L HN 0.359 nan 8.230 nan 0.000 0.432 125 R N -0.141 120.185 120.500 -0.290 0.000 2.091 125 R HA -0.185 4.156 4.340 0.001 0.000 0.238 125 R C 2.522 178.737 176.300 -0.141 0.000 1.136 125 R CA 2.174 58.056 56.100 -0.363 0.000 0.959 125 R CB -0.582 29.246 30.300 -0.786 0.000 0.856 125 R HN 0.432 nan 8.270 nan 0.000 0.437 126 R N -0.178 120.271 120.500 -0.084 0.000 2.066 126 R HA -0.104 4.237 4.340 0.001 0.000 0.232 126 R C 2.228 178.546 176.300 0.030 0.000 1.131 126 R CA 1.717 57.800 56.100 -0.027 0.000 0.955 126 R CB -1.919 28.372 30.300 -0.016 0.000 0.851 126 R HN 0.489 nan 8.270 nan 0.000 0.432 127 F N 2.266 122.182 119.950 -0.057 0.000 2.192 127 F HA -0.229 4.298 4.527 0.001 0.000 0.301 127 F C 2.485 178.284 175.800 -0.003 0.000 1.079 127 F CA 2.218 60.205 58.000 -0.022 0.000 1.303 127 F CB -0.341 38.663 39.000 0.006 0.000 1.024 127 F HN 0.299 nan 8.300 nan 0.000 0.494 128 S N -0.248 115.547 115.700 0.158 0.000 2.461 128 S HA -0.070 4.401 4.470 0.001 0.000 0.228 128 S C 1.760 176.278 174.600 -0.136 0.000 1.005 128 S CA 0.889 59.100 58.200 0.020 0.000 0.942 128 S CB -0.603 62.670 63.200 0.120 0.000 0.776 128 S HN 0.296 nan 8.310 nan 0.000 0.514 129 L N 1.955 123.107 121.223 -0.117 0.000 2.095 129 L HA 0.331 4.671 4.340 0.001 0.000 0.204 129 L C 3.023 179.797 176.870 -0.161 0.000 1.080 129 L CA 1.390 56.157 54.840 -0.122 0.000 0.759 129 L CB -1.481 40.525 42.059 -0.088 0.000 0.914 129 L HN 0.419 nan 8.230 nan 0.000 0.439 130 A N -0.236 122.462 122.820 -0.205 0.000 1.908 130 A HA -0.272 4.049 4.320 0.001 0.000 0.218 130 A C 2.458 179.869 177.584 -0.290 0.000 1.181 130 A CA 2.571 54.469 52.037 -0.232 0.000 0.627 130 A CB -1.271 17.579 19.000 -0.249 0.000 0.818 130 A HN 0.537 nan 8.150 nan 0.000 0.445 131 T N -2.547 111.741 114.554 -0.443 0.000 2.685 131 T HA -0.155 4.195 4.350 0.001 0.000 0.268 131 T C 1.225 175.796 174.700 -0.215 0.000 1.034 131 T CA 1.475 63.349 62.100 -0.376 0.000 1.149 131 T CB -0.558 68.069 68.868 -0.403 0.000 0.860 131 T HN 0.225 nan 8.240 nan 0.000 0.449 142 V N 2.535 122.417 119.914 -0.054 0.000 2.223 142 V HA -0.280 3.840 4.120 0.001 0.000 0.253 142 V C 2.728 178.782 176.094 -0.066 0.000 1.061 142 V CA 2.997 65.258 62.300 -0.065 0.000 1.035 142 V CB -1.739 30.032 31.823 -0.087 0.000 0.653 142 V HN 0.928 nan 8.190 nan 0.000 0.454 143 E N 0.476 120.639 120.200 -0.063 0.000 2.048 143 E HA -0.333 4.018 4.350 0.001 0.000 0.202 143 E C 2.309 178.880 176.600 -0.047 0.000 1.021 143 E CA 2.597 58.964 56.400 -0.055 0.000 0.825 143 E CB -0.310 29.366 29.700 -0.040 0.000 0.756 143 E HN 0.724 nan 8.360 nan 0.000 0.454 144 E N 1.145 121.326 120.200 -0.032 0.000 2.031 144 E HA -0.217 4.134 4.350 0.001 0.000 0.193 144 E C 2.015 178.604 176.600 -0.019 0.000 0.994 144 E CA 1.552 57.941 56.400 -0.019 0.000 0.800 144 E CB -0.756 28.938 29.700 -0.011 0.000 0.752 144 E HN 0.397 nan 8.360 nan 0.000 0.447 145 R N -0.323 120.166 120.500 -0.018 0.000 2.119 145 R HA -0.085 4.255 4.340 0.001 0.000 0.246 145 R C 2.606 178.900 176.300 -0.011 0.000 1.146 145 R CA 1.746 57.844 56.100 -0.003 0.000 0.962 145 R CB -0.686 29.617 30.300 0.005 0.000 0.863 145 R HN 0.491 nan 8.270 nan 0.000 0.442 146 I N 0.757 121.285 120.570 -0.069 0.000 2.142 146 I HA -0.317 3.854 4.170 0.001 0.000 0.240 146 I C 2.589 178.623 176.117 -0.138 0.000 1.078 146 I CA 1.468 62.660 61.300 -0.179 0.000 1.343 146 I CB -0.337 37.472 38.000 -0.318 0.000 1.046 146 I HN 0.235 nan 8.210 nan 0.000 0.405 147 Q N 0.214 119.962 119.800 -0.086 0.000 2.112 147 Q HA -0.292 4.049 4.340 0.001 0.000 0.206 147 Q C 2.252 178.269 176.000 0.028 0.000 0.987 147 Q CA 1.889 57.676 55.803 -0.026 0.000 0.858 147 Q CB -0.158 28.575 28.738 -0.009 0.000 0.905 147 Q HN 0.447 nan 8.270 nan 0.000 0.420 148 E N 0.200 120.417 120.200 0.028 0.000 2.077 148 E HA -0.232 4.119 4.350 0.001 0.000 0.193 148 E C 1.836 178.489 176.600 0.088 0.000 0.989 148 E CA 1.055 57.483 56.400 0.047 0.000 0.800 148 E CB 0.145 29.861 29.700 0.027 0.000 0.746 148 E HN 0.197 nan 8.360 nan 0.000 0.452 149 E N 0.498 120.771 120.200 0.122 0.000 2.077 149 E HA -0.155 4.196 4.350 0.001 0.000 0.193 149 E C 1.749 178.557 176.600 0.348 0.000 0.989 149 E CA 1.347 57.890 56.400 0.239 0.000 0.800 149 E CB -0.289 29.619 29.700 0.346 0.000 0.746 149 E HN 0.300 nan 8.360 nan 0.000 0.452 150 A N 0.721 123.740 122.820 0.330 0.000 1.873 150 A HA -0.300 4.021 4.320 0.001 0.000 0.218 150 A C 2.536 180.267 177.584 0.245 0.000 1.193 150 A CA 3.402 55.645 52.037 0.343 0.000 0.629 150 A CB -1.409 17.695 19.000 0.173 0.000 0.826 150 A HN 0.362 nan 8.150 nan 0.000 0.447 151 R N -0.759 119.844 120.500 0.172 0.000 2.122 151 R HA -0.266 4.075 4.340 0.001 0.000 0.236 151 R C 2.337 178.741 176.300 0.173 0.000 1.129 151 R CA 2.259 58.447 56.100 0.147 0.000 0.925 151 R CB -2.255 28.105 30.300 0.099 0.000 0.850 151 R HN 0.799 nan 8.270 nan 0.000 0.431 152 C N 0.132 119.533 119.300 0.168 0.000 2.396 152 C HA -0.115 4.345 4.460 0.001 0.000 0.277 152 C C 2.674 177.852 174.990 0.314 0.000 1.231 152 C CA 0.925 60.059 59.018 0.193 0.000 1.775 152 C CB -1.249 26.545 27.740 0.089 0.000 2.036 152 C HN 0.722 nan 8.230 nan 0.000 0.484 153 L N 1.418 122.824 121.223 0.305 0.000 1.994 153 L HA -0.107 4.233 4.340 0.001 0.000 0.208 153 L C 2.552 179.514 176.870 0.154 0.000 1.071 153 L CA 1.998 56.957 54.840 0.199 0.000 0.745 153 L CB -0.857 41.281 42.059 0.133 0.000 0.892 153 L HN 0.247 nan 8.230 nan 0.000 0.431 154 V N 0.266 120.315 119.914 0.225 0.000 2.282 154 V HA -0.317 3.803 4.120 0.001 0.000 0.249 154 V C 3.029 179.317 176.094 0.323 0.000 1.057 154 V CA 2.401 64.911 62.300 0.350 0.000 1.032 154 V CB -2.024 30.001 31.823 0.336 0.000 0.645 154 V HN 0.676 nan 8.190 nan 0.000 0.447 155 E N -0.031 120.301 120.200 0.221 0.000 2.118 155 E HA -0.298 4.052 4.350 0.001 0.000 0.195 155 E C 2.053 178.750 176.600 0.161 0.000 0.992 155 E CA 1.564 58.070 56.400 0.177 0.000 0.804 155 E CB -0.538 29.245 29.700 0.139 0.000 0.741 155 E HN 0.718 nan 8.360 nan 0.000 0.458 156 E N -0.037 120.256 120.200 0.156 0.000 2.072 156 E HA -0.020 4.331 4.350 0.001 0.000 0.191 156 E C 2.363 178.979 176.600 0.027 0.000 0.985 156 E CA 0.777 57.232 56.400 0.092 0.000 0.801 156 E CB -0.171 29.561 29.700 0.055 0.000 0.750 156 E HN 0.575 nan 8.360 nan 0.000 0.452 157 L N 0.584 121.803 121.223 -0.008 0.000 2.141 157 L HA -0.143 4.198 4.340 0.001 0.000 0.209 157 L C 2.618 179.564 176.870 0.128 0.000 1.094 157 L CA 0.909 55.657 54.840 -0.152 0.000 0.763 157 L CB -0.285 41.335 42.059 -0.733 0.000 0.908 157 L HN 0.057 nan 8.230 nan 0.000 0.437 158 R N 0.562 121.251 120.500 0.314 0.000 2.066 158 R HA -0.155 4.186 4.340 0.001 0.000 0.232 158 R C 2.534 178.918 176.300 0.141 0.000 1.131 158 R CA 1.698 57.962 56.100 0.273 0.000 0.955 158 R CB -0.593 29.825 30.300 0.196 0.000 0.851 158 R HN 0.289 nan 8.270 nan 0.000 0.432 159 K N 1.280 121.741 120.400 0.102 0.000 2.442 159 K HA -0.084 4.237 4.320 0.001 0.000 0.198 159 K C 1.855 178.478 176.600 0.039 0.000 1.042 159 K CA 1.614 57.939 56.287 0.064 0.000 0.958 159 K CB -0.701 31.835 32.500 0.060 0.000 0.766 159 K HN 0.441 nan 8.250 nan 0.000 0.474 160 S N -0.731 114.987 115.700 0.029 0.000 2.453 160 S HA 0.116 4.587 4.470 0.001 0.000 0.231 160 S C 1.571 176.180 174.600 0.015 0.000 1.005 160 S CA 1.550 59.748 58.200 -0.003 0.000 0.949 160 S CB -0.665 62.507 63.200 -0.047 0.000 0.774 160 S HN 1.514 nan 8.310 nan 0.000 0.510 161 K N 0.250 120.678 120.400 0.046 0.000 3.077 161 K HA -0.063 4.258 4.320 0.001 0.000 0.264 161 K C 1.438 178.060 176.600 0.038 0.000 1.008 161 K CA 1.179 57.494 56.287 0.046 0.000 0.740 161 K CB -3.078 29.440 32.500 0.029 0.000 1.273 161 K HN 2.251 nan 8.250 nan 0.000 0.477 162 G N -2.670 106.159 108.800 0.047 0.000 2.249 162 G HA2 0.203 4.164 3.960 0.001 0.000 0.273 162 G HA3 0.203 4.164 3.960 0.001 0.000 0.273 162 G C 0.561 175.461 174.900 -0.001 0.000 1.036 162 G CA 1.084 46.203 45.100 0.033 0.000 0.824 162 G HN 2.489 nan 8.290 nan 0.000 0.504 163 A N -0.984 121.825 122.820 -0.018 0.000 2.354 163 A HA 0.920 5.241 4.320 0.001 0.000 0.269 163 A C 0.963 178.518 177.584 -0.049 0.000 1.109 163 A CA 0.325 52.344 52.037 -0.030 0.000 0.800 163 A CB 0.500 19.481 19.000 -0.031 0.000 1.045 163 A HN 2.157 nan 8.150 nan 0.000 0.489 164 L N 2.102 123.300 121.223 -0.042 0.000 2.513 164 L HA 0.509 4.850 4.340 0.001 0.000 0.272 164 L C -0.049 176.779 176.870 -0.069 0.000 1.187 164 L CA 0.308 55.119 54.840 -0.049 0.000 0.895 164 L CB -1.321 40.718 42.059 -0.034 0.000 1.147 164 L HN 1.154 nan 8.230 nan 0.000 0.483 165 L N 0.691 121.856 121.223 -0.095 0.000 2.510 165 L HA 0.835 5.176 4.340 0.001 0.000 0.252 165 L C -0.540 176.223 176.870 -0.179 0.000 1.091 165 L CA -1.054 53.708 54.840 -0.130 0.000 0.888 165 L CB 1.636 43.605 42.059 -0.149 0.000 1.507 165 L HN 0.524 nan 8.230 nan 0.000 0.407 166 D N 0.652 120.917 120.400 -0.225 0.000 2.460 166 D HA 0.179 4.820 4.640 0.001 0.000 0.232 166 D C 0.158 176.214 176.300 -0.406 0.000 1.079 166 D CA -0.268 53.535 54.000 -0.328 0.000 0.864 166 D CB 0.950 41.582 40.800 -0.280 0.000 1.048 166 D HN 0.725 nan 8.370 nan 0.000 0.523 167 N N 2.493 120.861 118.700 -0.553 0.000 2.585 167 N HA -0.154 4.587 4.740 0.001 0.000 0.188 167 N C 1.135 176.243 175.510 -0.669 0.000 1.102 167 N CA 0.532 53.151 53.050 -0.719 0.000 0.920 167 N CB -0.494 37.304 38.487 -1.149 0.000 0.963 167 N HN 0.223 nan 8.380 nan 0.000 0.447 168 T N 1.296 115.544 114.554 -0.511 0.000 2.597 168 T HA -0.169 4.181 4.350 0.001 0.000 0.267 168 T C 1.680 176.175 174.700 -0.341 0.000 1.053 168 T CA 1.517 63.380 62.100 -0.394 0.000 1.165 168 T CB -0.425 68.207 68.868 -0.395 0.000 0.863 168 T HN 0.244 nan 8.240 nan 0.000 0.427 169 L N 0.885 121.922 121.223 -0.311 0.000 2.083 169 L HA 0.045 4.386 4.340 0.001 0.000 0.209 169 L C 2.168 178.990 176.870 -0.079 0.000 1.083 169 L CA 1.435 56.156 54.840 -0.199 0.000 0.752 169 L CB -1.085 40.886 42.059 -0.147 0.000 0.899 169 L HN 0.180 nan 8.230 nan 0.000 0.433 170 L N -1.121 120.018 121.223 -0.139 0.000 2.012 170 L HA -0.219 4.122 4.340 0.001 0.000 0.210 170 L C 2.317 179.268 176.870 0.135 0.000 1.073 170 L CA 1.950 56.736 54.840 -0.090 0.000 0.748 170 L CB -0.941 41.029 42.059 -0.149 0.000 0.891 170 L HN 0.208 nan 8.230 nan 0.000 0.431 171 F N -0.694 119.185 119.950 -0.118 0.000 2.186 171 F HA -0.122 4.406 4.527 0.001 0.000 0.299 171 F C 2.634 178.422 175.800 -0.019 0.000 1.090 171 F CA 1.161 59.104 58.000 -0.096 0.000 1.307 171 F CB -1.396 37.579 39.000 -0.042 0.000 1.019 171 F HN 0.262 nan 8.300 nan 0.000 0.489 172 H N -0.395 118.694 119.070 0.031 0.000 2.352 172 H HA -0.115 4.442 4.556 0.001 0.000 0.299 172 H C 2.428 177.845 175.328 0.149 0.000 1.097 172 H CA 1.676 57.677 56.048 -0.078 0.000 1.311 172 H CB -0.675 28.917 29.762 -0.283 0.000 1.377 172 H HN 0.044 nan 8.280 nan 0.000 0.504 173 S N 0.531 116.436 115.700 0.342 0.000 2.348 173 S HA -0.139 4.332 4.470 0.001 0.000 0.221 173 S C 2.346 177.267 174.600 0.536 0.000 1.033 173 S CA 1.465 59.999 58.200 0.557 0.000 1.010 173 S CB -0.424 63.022 63.200 0.410 0.000 0.891 173 S HN 0.614 nan 8.310 nan 0.000 0.442 174 I N 1.719 122.430 120.570 0.236 0.000 2.252 174 I HA -0.155 4.015 4.170 0.001 0.000 0.245 174 I C 2.514 178.770 176.117 0.231 0.000 1.102 174 I CA 1.802 63.199 61.300 0.162 0.000 1.385 174 I CB -1.529 36.270 38.000 -0.335 0.000 1.064 174 I HN 0.352 nan 8.210 nan 0.000 0.414 175 T N -1.005 113.625 114.554 0.126 0.000 2.777 175 T HA -0.072 4.279 4.350 0.001 0.000 0.266 175 T C 1.993 176.813 174.700 0.200 0.000 1.040 175 T CA 1.529 63.751 62.100 0.203 0.000 1.141 175 T CB -0.775 68.140 68.868 0.078 0.000 0.868 175 T HN 0.427 nan 8.240 nan 0.000 0.444 176 S N 2.162 118.021 115.700 0.264 0.000 2.353 176 S HA -0.155 4.316 4.470 0.001 0.000 0.222 176 S C 2.179 177.032 174.600 0.422 0.000 1.035 176 S CA 1.199 59.571 58.200 0.287 0.000 1.025 176 S CB -0.742 62.804 63.200 0.577 0.000 0.902 176 S HN 0.494 nan 8.310 nan 0.000 0.440 177 N N 1.467 120.532 118.700 0.608 0.000 2.060 177 N HA -0.124 4.617 4.740 0.001 0.000 0.195 177 N C 1.581 177.284 175.510 0.321 0.000 1.028 177 N CA 1.113 54.471 53.050 0.512 0.000 0.861 177 N CB -0.595 38.094 38.487 0.337 0.000 1.029 177 N HN 0.216 nan 8.380 nan 0.000 0.428 178 I N 1.782 122.502 120.570 0.251 0.000 2.087 178 I HA -0.296 3.875 4.170 0.001 0.000 0.240 178 I C 2.194 178.362 176.117 0.086 0.000 1.054 178 I CA 1.061 62.446 61.300 0.142 0.000 1.311 178 I CB -1.327 36.738 38.000 0.109 0.000 1.024 178 I HN 0.121 nan 8.210 nan 0.000 0.402 179 I N 0.547 121.132 120.570 0.026 0.000 2.248 179 I HA -0.328 3.843 4.170 0.001 0.000 0.248 179 I C 2.856 179.047 176.117 0.124 0.000 1.107 179 I CA 1.385 62.656 61.300 -0.049 0.000 1.373 179 I CB -1.526 36.298 38.000 -0.293 0.000 1.055 179 I HN 0.315 nan 8.210 nan 0.000 0.418 180 C N -0.172 119.316 119.300 0.313 0.000 2.466 180 C HA -0.090 4.371 4.460 0.001 0.000 0.278 180 C C 3.295 178.479 174.990 0.325 0.000 1.288 180 C CA 1.128 60.457 59.018 0.519 0.000 1.722 180 C CB -0.879 27.309 27.740 0.747 0.000 2.017 180 C HN 0.525 nan 8.230 nan 0.000 0.488 181 S N 0.518 116.342 115.700 0.207 0.000 2.368 181 S HA -0.060 4.411 4.470 0.001 0.000 0.225 181 S C 1.635 176.312 174.600 0.129 0.000 1.030 181 S CA 1.300 59.579 58.200 0.133 0.000 0.999 181 S CB -0.299 62.956 63.200 0.092 0.000 0.844 181 S HN 0.570 nan 8.310 nan 0.000 0.459 182 I N 0.521 121.156 120.570 0.108 0.000 2.439 182 I HA -0.073 4.098 4.170 0.001 0.000 0.251 182 I C 1.872 178.077 176.117 0.147 0.000 1.139 182 I CA 0.770 62.141 61.300 0.118 0.000 1.438 182 I CB -0.111 37.928 38.000 0.065 0.000 1.085 182 I HN 0.222 nan 8.210 nan 0.000 0.427 183 V N -0.618 119.308 119.914 0.019 0.000 2.672 183 V HA -0.026 4.095 4.120 0.001 0.000 0.242 183 V C 1.606 177.528 176.094 -0.286 0.000 1.059 183 V CA 1.202 63.364 62.300 -0.230 0.000 1.081 183 V CB -0.159 31.292 31.823 -0.619 0.000 0.752 183 V HN 0.198 nan 8.190 nan 0.000 0.472 184 F N 0.299 120.334 119.950 0.142 0.000 2.717 184 F HA 0.530 5.058 4.527 0.001 0.000 0.295 184 F C 1.897 177.840 175.800 0.239 0.000 1.117 184 F CA 0.769 58.877 58.000 0.181 0.000 1.361 184 F CB 0.418 39.519 39.000 0.168 0.000 1.112 184 F HN 0.236 nan 8.300 nan 0.000 0.594 185 G N -0.179 108.799 108.800 0.297 0.000 2.238 185 G HA2 0.093 4.053 3.960 0.001 0.000 0.217 185 G HA3 0.093 4.053 3.960 0.001 0.000 0.217 185 G C 0.201 175.168 174.900 0.112 0.000 0.996 185 G CA 0.063 45.290 45.100 0.212 0.000 0.632 185 G HN 0.578 nan 8.290 nan 0.000 0.503 186 K N 0.373 120.816 120.400 0.072 0.000 2.561 186 K HA 0.808 5.129 4.320 0.001 0.000 0.254 186 K C 0.218 176.748 176.600 -0.116 0.000 0.942 186 K CA 0.298 56.572 56.287 -0.021 0.000 0.818 186 K CB 0.677 33.148 32.500 -0.047 0.000 1.306 186 K HN 1.441 nan 8.250 nan 0.000 0.435 187 R N 0.828 121.280 120.500 -0.079 0.000 2.758 187 R HA 0.356 4.697 4.340 0.001 0.000 0.263 187 R C -0.732 175.429 176.300 -0.230 0.000 1.010 187 R CA 0.015 56.059 56.100 -0.094 0.000 1.114 187 R CB -0.005 30.256 30.300 -0.065 0.000 0.985 187 R HN 0.449 nan 8.270 nan 0.000 0.439 188 F N 0.252 120.123 119.950 -0.131 0.000 2.380 188 F HA 0.144 4.672 4.527 0.001 0.000 0.321 188 F C 0.750 176.292 175.800 -0.430 0.000 1.103 188 F CA -0.365 57.492 58.000 -0.238 0.000 1.067 188 F CB 1.092 39.916 39.000 -0.292 0.000 1.265 188 F HN 0.650 nan 8.300 nan 0.000 0.517 189 D N 0.089 120.437 120.400 -0.087 0.000 2.304 189 D HA 0.091 4.732 4.640 0.001 0.000 0.250 189 D C 0.613 176.785 176.300 -0.213 0.000 1.107 189 D CA -0.026 53.842 54.000 -0.221 0.000 0.885 189 D CB 0.586 41.334 40.800 -0.085 0.000 1.192 189 D HN 0.315 nan 8.370 nan 0.000 0.436 190 Y N 2.341 122.564 120.300 -0.127 0.000 2.219 190 Y HA -0.197 4.354 4.550 0.001 0.000 0.283 190 Y C 2.378 178.315 175.900 0.063 0.000 1.191 190 Y CA 2.021 60.076 58.100 -0.075 0.000 1.199 190 Y CB -0.840 37.625 38.460 0.010 0.000 0.972 190 Y HN 0.566 nan 8.280 nan 0.000 0.527 191 K N 0.549 121.064 120.400 0.192 0.000 2.399 191 K HA 0.127 4.448 4.320 0.001 0.000 0.204 191 K C 0.089 176.760 176.600 0.118 0.000 1.023 191 K CA 0.372 56.754 56.287 0.158 0.000 1.127 191 K CB -0.401 32.167 32.500 0.114 0.000 0.856 191 K HN 0.192 nan 8.250 nan 0.000 0.514 192 D N 1.266 121.734 120.400 0.114 0.000 2.434 192 D HA 0.056 4.697 4.640 0.001 0.000 0.252 192 D C -1.660 174.676 176.300 0.060 0.000 1.185 192 D CA -2.101 51.952 54.000 0.088 0.000 0.886 192 D CB 1.613 42.496 40.800 0.139 0.000 1.148 192 D HN -0.026 nan 8.370 nan 0.000 0.483 193 P HA -0.240 nan 4.420 nan 0.000 0.216 193 P C 1.659 178.893 177.300 -0.111 0.000 1.167 193 P CA 0.996 64.073 63.100 -0.039 0.000 0.933 193 P CB 0.155 31.825 31.700 -0.051 0.000 0.793 194 V N -1.399 118.399 119.914 -0.194 0.000 2.282 194 V HA -0.284 3.837 4.120 0.001 0.000 0.249 194 V C 2.206 178.034 176.094 -0.443 0.000 1.057 194 V CA 1.991 64.071 62.300 -0.366 0.000 1.032 194 V CB -1.292 30.210 31.823 -0.535 0.000 0.645 194 V HN 0.030 nan 8.190 nan 0.000 0.447 195 F N 0.001 119.512 119.950 -0.731 0.000 2.011 195 F HA -0.259 4.269 4.527 0.001 0.000 0.296 195 F C 2.257 177.925 175.800 -0.220 0.000 1.144 195 F CA 1.846 59.454 58.000 -0.653 0.000 1.185 195 F CB -0.257 38.494 39.000 -0.415 0.000 0.961 195 F HN 0.013 nan 8.300 nan 0.000 0.485 196 L N 1.175 122.388 121.223 -0.016 0.000 2.034 196 L HA -0.327 4.014 4.340 0.001 0.000 0.217 196 L C 2.982 179.770 176.870 -0.136 0.000 1.077 196 L CA 2.682 57.490 54.840 -0.053 0.000 0.769 196 L CB -2.540 39.536 42.059 0.030 0.000 0.890 196 L HN 0.360 nan 8.230 nan 0.000 0.435 197 R N 0.447 120.853 120.500 -0.156 0.000 2.105 197 R HA -0.149 4.191 4.340 0.001 0.000 0.239 197 R C 2.211 178.376 176.300 -0.225 0.000 1.135 197 R CA 1.947 57.946 56.100 -0.168 0.000 0.967 197 R CB -1.587 28.612 30.300 -0.168 0.000 0.861 197 R HN 0.638 nan 8.270 nan 0.000 0.442 198 L N -2.780 118.277 121.223 -0.276 0.000 2.354 198 L HA 0.322 4.663 4.340 0.001 0.000 0.212 198 L C 2.203 178.886 176.870 -0.310 0.000 1.091 198 L CA 0.746 55.385 54.840 -0.335 0.000 0.828 198 L CB -0.415 41.511 42.059 -0.222 0.000 0.973 198 L HN 0.079 nan 8.230 nan 0.000 0.461 199 L N 0.568 121.627 121.223 -0.272 0.000 2.191 199 L HA -0.156 4.185 4.340 0.001 0.000 0.212 199 L C 1.985 178.885 176.870 0.050 0.000 1.103 199 L CA 1.696 56.503 54.840 -0.056 0.000 0.769 199 L CB -0.868 41.108 42.059 -0.138 0.000 0.908 199 L HN 0.460 nan 8.230 nan 0.000 0.438 200 D N -1.611 118.746 120.400 -0.072 0.000 2.110 200 D HA -0.166 4.475 4.640 0.001 0.000 0.202 200 D C 2.089 178.328 176.300 -0.103 0.000 0.975 200 D CA 1.037 55.011 54.000 -0.043 0.000 0.839 200 D CB -0.047 40.710 40.800 -0.072 0.000 0.996 200 D HN 0.171 nan 8.370 nan 0.000 0.464 201 L N -0.159 120.910 121.223 -0.256 0.000 1.978 201 L HA -0.159 4.181 4.340 0.001 0.000 0.218 201 L C 1.889 178.541 176.870 -0.364 0.000 1.075 201 L CA 1.873 56.488 54.840 -0.375 0.000 0.767 201 L CB -1.093 40.578 42.059 -0.648 0.000 0.890 201 L HN 0.137 nan 8.230 nan 0.000 0.434 202 F N -2.043 117.651 119.950 -0.426 0.000 2.558 202 F HA -0.051 4.476 4.527 0.001 0.000 0.298 202 F C 1.162 176.600 175.800 -0.603 0.000 1.119 202 F CA 0.330 57.945 58.000 -0.640 0.000 1.451 202 F CB 0.054 38.319 39.000 -1.225 0.000 1.091 202 F HN 0.088 nan 8.300 nan 0.000 0.563 203 F N -0.792 119.281 119.950 0.205 0.000 2.746 203 F HA 0.214 4.741 4.527 0.001 0.000 0.320 203 F C 1.377 177.253 175.800 0.127 0.000 1.097 203 F CA -0.361 57.760 58.000 0.200 0.000 1.195 203 F CB -1.172 38.001 39.000 0.289 0.000 1.056 203 F HN -0.265 nan 8.300 nan 0.000 0.562 204 Q N 1.346 121.279 119.800 0.221 0.000 2.264 204 Q HA 0.297 4.638 4.340 0.001 0.000 0.296 204 Q C 0.560 176.703 176.000 0.238 0.000 1.103 204 Q CA 0.346 56.270 55.803 0.201 0.000 0.967 204 Q CB -0.657 28.179 28.738 0.165 0.000 1.090 204 Q HN 0.323 nan 8.270 nan 0.000 0.379 205 S N 1.230 117.016 115.700 0.143 0.000 2.614 205 S HA 0.852 5.323 4.470 0.001 0.000 0.265 205 S C -0.124 174.556 174.600 0.133 0.000 1.303 205 S CA 0.258 58.459 58.200 0.000 0.000 1.000 205 S CB 0.088 63.280 63.200 -0.012 0.000 0.935 205 S HN 1.247 nan 8.310 nan 0.000 0.551 206 F N -1.545 118.425 119.950 0.034 0.000 2.714 206 F HA 0.542 5.070 4.527 0.001 0.000 0.313 206 F C -0.723 175.087 175.800 0.016 0.000 1.104 206 F CA -1.171 56.843 58.000 0.022 0.000 1.005 206 F CB 0.309 39.323 39.000 0.024 0.000 1.268 206 F HN 0.480 nan 8.300 nan 0.000 0.449 207 S N 2.515 118.306 115.700 0.152 0.000 2.536 207 S HA 0.902 5.373 4.470 0.001 0.000 0.298 207 S C -1.541 173.118 174.600 0.099 0.000 1.083 207 S CA -0.740 57.487 58.200 0.044 0.000 0.995 207 S CB 2.227 65.424 63.200 -0.006 0.000 1.058 207 S HN 0.802 nan 8.310 nan 0.000 0.488 208 L N 1.605 122.844 121.223 0.026 0.000 2.330 208 L HA 0.668 5.009 4.340 0.001 0.000 0.271 208 L C -0.689 176.172 176.870 -0.014 0.000 1.013 208 L CA -0.684 54.171 54.840 0.026 0.000 0.816 208 L CB 1.556 43.631 42.059 0.025 0.000 1.287 208 L HN 0.777 nan 8.230 nan 0.000 0.435 209 I N 0.788 121.366 120.570 0.013 0.000 2.530 209 I HA 0.568 4.739 4.170 0.001 0.000 0.297 209 I C -0.333 175.796 176.117 0.020 0.000 1.011 209 I CA -0.311 60.996 61.300 0.011 0.000 1.107 209 I CB 2.025 40.038 38.000 0.021 0.000 1.285 209 I HN 0.422 nan 8.210 nan 0.000 0.436 210 S N 2.439 118.151 115.700 0.020 0.000 2.536 210 S HA 0.571 5.041 4.470 0.001 0.000 0.271 210 S C -0.681 173.947 174.600 0.047 0.000 1.134 210 S CA -0.598 57.622 58.200 0.033 0.000 0.897 210 S CB 1.720 64.936 63.200 0.025 0.000 1.094 210 S HN 0.710 nan 8.310 nan 0.000 0.473 211 S N 2.376 118.110 115.700 0.057 0.000 2.654 211 S HA 0.500 4.970 4.470 0.001 0.000 0.283 211 S C 0.822 175.492 174.600 0.118 0.000 1.180 211 S CA -0.661 57.592 58.200 0.088 0.000 1.021 211 S CB 0.615 63.860 63.200 0.076 0.000 1.018 211 S HN 0.741 nan 8.310 nan 0.000 0.532 212 F N 2.325 122.290 119.950 0.025 0.000 2.202 212 F HA -0.152 4.376 4.527 0.001 0.000 0.301 212 F C 2.417 178.244 175.800 0.046 0.000 1.082 212 F CA 2.025 60.044 58.000 0.032 0.000 1.313 212 F CB -0.525 38.488 39.000 0.022 0.000 1.024 212 F HN 0.756 nan 8.300 nan 0.000 0.495 213 S N -0.994 114.770 115.700 0.107 0.000 2.345 213 S HA -0.208 4.262 4.470 0.001 0.000 0.219 213 S C 2.267 176.863 174.600 -0.006 0.000 1.031 213 S CA 1.032 59.248 58.200 0.026 0.000 0.984 213 S CB -1.178 62.078 63.200 0.092 0.000 0.874 213 S HN 0.480 nan 8.310 nan 0.000 0.451 214 S N 1.632 117.347 115.700 0.025 0.000 2.400 214 S HA -0.280 4.191 4.470 0.001 0.000 0.234 214 S C 2.126 176.782 174.600 0.093 0.000 1.049 214 S CA 1.822 60.058 58.200 0.061 0.000 1.039 214 S CB -0.658 62.572 63.200 0.050 0.000 0.856 214 S HN 0.707 nan 8.310 nan 0.000 0.465 215 Q N -0.148 119.645 119.800 -0.011 0.000 2.033 215 Q HA -0.016 4.325 4.340 0.001 0.000 0.196 215 Q C 2.436 178.395 176.000 -0.068 0.000 0.970 215 Q CA 1.612 57.391 55.803 -0.040 0.000 0.828 215 Q CB -0.425 28.254 28.738 -0.099 0.000 0.895 215 Q HN 0.534 nan 8.270 nan 0.000 0.440 216 V N 1.063 120.845 119.914 -0.219 0.000 2.380 216 V HA -0.274 3.846 4.120 0.001 0.000 0.251 216 V C 1.980 178.089 176.094 0.025 0.000 1.063 216 V CA 1.906 64.106 62.300 -0.167 0.000 1.055 216 V CB -0.735 30.933 31.823 -0.259 0.000 0.657 216 V HN 0.276 nan 8.190 nan 0.000 0.455 217 F N 1.098 121.018 119.950 -0.051 0.000 2.102 217 F HA -0.177 4.351 4.527 0.001 0.000 0.298 217 F C 2.454 178.340 175.800 0.143 0.000 1.105 217 F CA 2.118 60.147 58.000 0.047 0.000 1.239 217 F CB -0.163 38.851 39.000 0.024 0.000 0.991 217 F HN 0.177 nan 8.300 nan 0.000 0.474 218 E N 0.657 120.961 120.200 0.174 0.000 2.065 218 E HA -0.302 4.049 4.350 0.001 0.000 0.201 218 E C 2.266 178.870 176.600 0.007 0.000 1.016 218 E CA 2.042 58.500 56.400 0.098 0.000 0.818 218 E CB -0.658 29.122 29.700 0.133 0.000 0.749 218 E HN 0.463 nan 8.360 nan 0.000 0.453 219 L N -0.101 121.131 121.223 0.015 0.000 2.189 219 L HA -0.201 4.140 4.340 0.001 0.000 0.214 219 L C 2.394 179.260 176.870 -0.006 0.000 1.097 219 L CA 1.065 55.906 54.840 0.002 0.000 0.764 219 L CB -0.339 41.727 42.059 0.011 0.000 0.900 219 L HN 0.174 nan 8.230 nan 0.000 0.436 220 F N -0.270 119.556 119.950 -0.206 0.000 2.664 220 F HA -0.026 4.502 4.527 0.001 0.000 0.296 220 F C 2.295 177.918 175.800 -0.294 0.000 1.125 220 F CA 0.643 58.497 58.000 -0.243 0.000 1.444 220 F CB 0.129 38.962 39.000 -0.279 0.000 1.114 220 F HN -0.068 nan 8.300 nan 0.000 0.576 221 S N -0.291 115.235 115.700 -0.289 0.000 2.421 221 S HA 0.231 4.702 4.470 0.001 0.000 0.224 221 S C 1.809 176.359 174.600 -0.084 0.000 1.035 221 S CA 0.625 58.698 58.200 -0.212 0.000 0.953 221 S CB -0.331 62.832 63.200 -0.061 0.000 0.810 221 S HN 0.644 nan 8.310 nan 0.000 0.497 222 G N 0.533 109.244 108.800 -0.148 0.000 2.175 222 G HA2 -0.219 3.742 3.960 0.001 0.000 0.244 222 G HA3 -0.219 3.742 3.960 0.001 0.000 0.244 222 G C -0.149 174.461 174.900 -0.483 0.000 0.982 222 G CA -0.235 44.682 45.100 -0.306 0.000 0.641 222 G HN 0.425 nan 8.290 nan 0.000 0.527 223 F N 0.513 120.434 119.950 -0.048 0.000 2.529 223 F HA 0.681 5.209 4.527 0.001 0.000 0.320 223 F C 0.298 176.125 175.800 0.044 0.000 1.118 223 F CA -1.336 56.663 58.000 -0.002 0.000 0.915 223 F CB 1.500 40.494 39.000 -0.009 0.000 1.161 223 F HN -0.141 nan 8.300 nan 0.000 0.445 224 L N 3.157 124.527 121.223 0.244 0.000 2.436 224 L HA 0.245 4.586 4.340 0.001 0.000 0.265 224 L C 1.512 178.534 176.870 0.254 0.000 1.168 224 L CA 0.093 55.072 54.840 0.232 0.000 0.815 224 L CB 0.641 42.847 42.059 0.246 0.000 1.109 224 L HN 0.722 nan 8.230 nan 0.000 0.462 225 K N 1.839 122.385 120.400 0.242 0.000 1.991 225 K HA -0.162 4.158 4.320 0.001 0.000 0.212 225 K C 0.109 176.866 176.600 0.261 0.000 1.049 225 K CA 1.543 57.964 56.287 0.225 0.000 0.932 225 K CB -0.066 32.551 32.500 0.195 0.000 0.717 225 K HN 0.582 nan 8.250 nan 0.000 0.441 226 Y N -0.347 120.037 120.300 0.140 0.000 2.320 226 Y HA 0.383 4.933 4.550 0.001 0.000 0.334 226 Y C -1.066 174.961 175.900 0.211 0.000 1.055 226 Y CA -1.222 56.971 58.100 0.155 0.000 1.143 226 Y CB 0.701 39.230 38.460 0.115 0.000 1.193 226 Y HN -0.121 nan 8.280 nan 0.000 0.477 227 F N 8.544 128.175 119.950 -0.531 0.000 2.520 227 F HA 0.578 5.106 4.527 0.001 0.000 0.322 227 F C -2.306 173.107 175.800 -0.644 0.000 1.103 227 F CA -2.857 54.775 58.000 -0.613 0.000 0.926 227 F CB 1.833 40.690 39.000 -0.237 0.000 1.154 227 F HN 0.457 nan 8.300 nan 0.000 0.453 228 P HA 0.175 nan 4.420 nan 0.000 0.267 228 P C 0.444 177.672 177.300 -0.120 0.000 1.205 228 P CA 1.063 63.907 63.100 -0.426 0.000 0.765 228 P CB 1.056 32.484 31.700 -0.454 0.000 0.828 229 G N 3.012 111.838 108.800 0.044 0.000 2.234 229 G HA2 -0.355 3.606 3.960 0.001 0.000 0.260 229 G HA3 -0.355 3.606 3.960 0.001 0.000 0.260 229 G C 1.103 176.033 174.900 0.050 0.000 0.987 229 G CA 0.816 45.950 45.100 0.057 0.000 0.625 229 G HN 0.715 nan 8.290 nan 0.000 0.532 230 T N -2.187 112.417 114.554 0.083 0.000 2.833 230 T HA 0.172 4.523 4.350 0.001 0.000 0.269 230 T C 1.477 176.192 174.700 0.025 0.000 1.054 230 T CA 2.120 64.262 62.100 0.070 0.000 1.135 230 T CB -0.987 67.939 68.868 0.097 0.000 0.869 230 T HN 2.024 nan 8.240 nan 0.000 0.466 231 H N 2.040 121.128 119.070 0.030 0.000 2.929 231 H HA 0.581 5.138 4.556 0.001 0.000 0.358 231 H C 0.797 176.048 175.328 -0.129 0.000 1.111 231 H CA -0.019 56.010 56.048 -0.032 0.000 1.409 231 H CB 0.094 29.842 29.762 -0.023 0.000 1.373 231 H HN 0.664 nan 8.280 nan 0.000 0.610 232 R N 1.027 121.438 120.500 -0.147 0.000 2.393 232 R HA 0.595 4.936 4.340 0.001 0.000 0.315 232 R C 0.016 176.178 176.300 -0.230 0.000 0.952 232 R CA -0.349 55.655 56.100 -0.161 0.000 0.842 232 R CB 0.081 30.325 30.300 -0.095 0.000 1.163 232 R HN 1.526 nan 8.270 nan 0.000 0.450 233 Q N 1.505 121.130 119.800 -0.291 0.000 4.431 233 Q HA 0.097 4.438 4.340 0.001 0.000 0.223 233 Q C 1.205 177.087 176.000 -0.197 0.000 0.873 233 Q CA 0.874 56.526 55.803 -0.251 0.000 0.692 233 Q CB -1.954 26.690 28.738 -0.158 0.000 0.810 233 Q HN 1.968 nan 8.270 nan 0.000 0.682 234 I N -1.552 118.915 120.570 -0.172 0.000 6.220 234 I HA -0.114 4.056 4.170 0.001 0.000 0.127 234 I C 2.202 178.245 176.117 -0.124 0.000 1.787 234 I CA 2.979 64.198 61.300 -0.135 0.000 2.227 234 I CB -3.341 34.575 38.000 -0.140 0.000 3.387 234 I HN 2.244 nan 8.210 nan 0.000 0.224 235 Y N -1.229 119.004 120.300 -0.111 0.000 2.132 235 Y HA -0.138 4.413 4.550 0.001 0.000 0.280 235 Y C 2.771 178.621 175.900 -0.083 0.000 1.193 235 Y CA 4.925 62.970 58.100 -0.091 0.000 1.157 235 Y CB -1.537 36.878 38.460 -0.074 0.000 0.966 235 Y HN 2.007 nan 8.280 nan 0.000 0.511 236 R N 0.384 120.837 120.500 -0.078 0.000 2.083 236 R HA -0.187 4.153 4.340 0.001 0.000 0.237 236 R C 2.066 178.315 176.300 -0.085 0.000 1.137 236 R CA 1.886 57.944 56.100 -0.070 0.000 0.951 236 R CB -1.648 28.614 30.300 -0.064 0.000 0.851 236 R HN 0.748 nan 8.270 nan 0.000 0.434 237 N N 0.427 119.062 118.700 -0.108 0.000 2.142 237 N HA -0.065 4.676 4.740 0.001 0.000 0.186 237 N C 1.783 177.197 175.510 -0.160 0.000 1.023 237 N CA 1.439 54.405 53.050 -0.140 0.000 0.852 237 N CB -0.299 38.084 38.487 -0.173 0.000 0.998 237 N HN 0.461 nan 8.380 nan 0.000 0.424 238 L N 1.177 122.303 121.223 -0.163 0.000 2.046 238 L HA -0.287 4.053 4.340 0.001 0.000 0.208 238 L C 2.595 179.402 176.870 -0.105 0.000 1.077 238 L CA 2.003 56.742 54.840 -0.168 0.000 0.747 238 L CB -0.708 41.260 42.059 -0.151 0.000 0.896 238 L HN 0.270 nan 8.230 nan 0.000 0.432 239 Q N -0.086 119.667 119.800 -0.078 0.000 2.084 239 Q HA -0.252 4.088 4.340 0.001 0.000 0.202 239 Q C 2.112 178.096 176.000 -0.028 0.000 0.978 239 Q CA 2.352 58.127 55.803 -0.046 0.000 0.844 239 Q CB -1.556 27.157 28.738 -0.041 0.000 0.898 239 Q HN 0.753 nan 8.270 nan 0.000 0.426 240 E N 1.004 121.180 120.200 -0.041 0.000 2.077 240 E HA -0.112 4.239 4.350 0.001 0.000 0.193 240 E C 1.981 178.599 176.600 0.029 0.000 0.989 240 E CA 1.493 57.880 56.400 -0.021 0.000 0.800 240 E CB -0.593 29.073 29.700 -0.056 0.000 0.746 240 E HN 0.774 nan 8.360 nan 0.000 0.452 241 I N 1.760 122.336 120.570 0.009 0.000 2.202 241 I HA -0.187 3.983 4.170 0.001 0.000 0.242 241 I C 2.327 178.517 176.117 0.121 0.000 1.091 241 I CA 1.875 63.239 61.300 0.106 0.000 1.368 241 I CB -1.619 36.376 38.000 -0.009 0.000 1.058 241 I HN 0.284 nan 8.210 nan 0.000 0.410 242 N N 1.517 120.241 118.700 0.039 0.000 2.137 242 N HA -0.182 4.559 4.740 0.001 0.000 0.190 242 N C 1.693 177.231 175.510 0.048 0.000 1.017 242 N CA 2.364 55.429 53.050 0.026 0.000 0.859 242 N CB -0.299 38.189 38.487 0.002 0.000 1.002 242 N HN 0.387 nan 8.380 nan 0.000 0.428 243 T N -0.377 114.219 114.554 0.069 0.000 2.777 243 T HA -0.088 4.262 4.350 0.001 0.000 0.266 243 T C 1.645 176.435 174.700 0.150 0.000 1.040 243 T CA 1.109 63.261 62.100 0.085 0.000 1.141 243 T CB -0.556 68.358 68.868 0.076 0.000 0.868 243 T HN 0.411 nan 8.240 nan 0.000 0.444 244 F N 1.375 121.330 119.950 0.007 0.000 2.146 244 F HA -0.010 4.518 4.527 0.001 0.000 0.298 244 F C 2.035 177.867 175.800 0.054 0.000 1.096 244 F CA 0.864 58.873 58.000 0.014 0.000 1.275 244 F CB -0.156 38.832 39.000 -0.020 0.000 1.008 244 F HN 0.029 nan 8.300 nan 0.000 0.480 245 I N 0.787 121.234 120.570 -0.205 0.000 2.163 245 I HA -0.268 3.902 4.170 0.001 0.000 0.243 245 I C 2.853 178.884 176.117 -0.143 0.000 1.085 245 I CA 1.428 62.544 61.300 -0.305 0.000 1.347 245 I CB -1.559 36.395 38.000 -0.078 0.000 1.044 245 I HN 0.350 nan 8.210 nan 0.000 0.408 246 G N 0.687 109.464 108.800 -0.038 0.000 2.624 246 G HA2 -0.342 3.619 3.960 0.001 0.000 0.221 246 G HA3 -0.342 3.619 3.960 0.001 0.000 0.221 246 G C 1.478 176.402 174.900 0.040 0.000 1.169 246 G CA 1.051 46.157 45.100 0.010 0.000 0.771 246 G HN 0.475 nan 8.290 nan 0.000 0.598 247 Q N -0.112 119.738 119.800 0.082 0.000 2.045 247 Q HA -0.141 4.200 4.340 0.001 0.000 0.206 247 Q C 2.844 178.926 176.000 0.136 0.000 0.991 247 Q CA 1.728 57.614 55.803 0.139 0.000 0.851 247 Q CB -0.455 28.439 28.738 0.259 0.000 0.911 247 Q HN 0.515 nan 8.270 nan 0.000 0.418 248 S N 0.139 115.883 115.700 0.074 0.000 2.382 248 S HA -0.130 4.341 4.470 0.001 0.000 0.228 248 S C 2.047 176.824 174.600 0.296 0.000 1.027 248 S CA 1.185 59.497 58.200 0.186 0.000 0.991 248 S CB -0.180 63.061 63.200 0.069 0.000 0.823 248 S HN 0.240 nan 8.310 nan 0.000 0.469 249 V N 1.597 121.584 119.914 0.122 0.000 2.295 249 V HA -0.138 3.983 4.120 0.001 0.000 0.246 249 V C 2.538 178.721 176.094 0.149 0.000 1.049 249 V CA 2.105 64.463 62.300 0.097 0.000 1.024 249 V CB -0.918 30.909 31.823 0.007 0.000 0.648 249 V HN 0.521 nan 8.190 nan 0.000 0.447 250 E N 0.553 120.823 120.200 0.117 0.000 2.035 250 E HA -0.330 4.020 4.350 0.001 0.000 0.204 250 E C 2.541 179.211 176.600 0.117 0.000 1.025 250 E CA 2.420 58.883 56.400 0.105 0.000 0.835 250 E CB -0.279 29.475 29.700 0.089 0.000 0.764 250 E HN 0.628 nan 8.360 nan 0.000 0.457 251 K N 0.686 121.160 120.400 0.124 0.000 2.015 251 K HA -0.286 4.035 4.320 0.001 0.000 0.216 251 K C 1.806 178.454 176.600 0.080 0.000 1.052 251 K CA 2.364 58.703 56.287 0.086 0.000 0.937 251 K CB -1.684 30.860 32.500 0.073 0.000 0.719 251 K HN 0.339 nan 8.250 nan 0.000 0.446 252 H N -0.540 118.577 119.070 0.078 0.000 2.289 252 H HA -0.146 4.411 4.556 0.002 0.000 0.294 252 H C 2.862 178.230 175.328 0.067 0.000 1.095 252 H CA 3.614 59.709 56.048 0.078 0.000 1.256 252 H CB -0.249 29.567 29.762 0.090 0.000 1.359 252 H HN 0.626 nan 8.280 nan 0.000 0.487 253 R N 0.955 121.576 120.500 0.202 0.000 2.097 253 R HA -0.117 4.224 4.340 0.001 0.000 0.236 253 R C 2.573 178.928 176.300 0.092 0.000 1.135 253 R CA 1.993 58.171 56.100 0.130 0.000 0.934 253 R CB -1.700 28.664 30.300 0.107 0.000 0.846 253 R HN 0.508 nan 8.270 nan 0.000 0.431 254 A N 0.259 123.125 122.820 0.077 0.000 1.883 254 A HA -0.162 4.159 4.320 0.001 0.000 0.217 254 A C 2.590 180.200 177.584 0.043 0.000 1.186 254 A CA 2.759 54.828 52.037 0.053 0.000 0.624 254 A CB -0.894 18.132 19.000 0.045 0.000 0.822 254 A HN 0.874 nan 8.150 nan 0.000 0.444 255 T N -1.798 112.779 114.554 0.037 0.000 3.107 255 T HA 0.293 4.644 4.350 0.001 0.000 0.249 255 T C 0.649 175.370 174.700 0.035 0.000 1.096 255 T CA 0.191 62.304 62.100 0.023 0.000 1.012 255 T CB -0.620 68.245 68.868 -0.006 0.000 0.977 255 T HN 0.446 nan 8.240 nan 0.000 0.527 256 L N 1.073 122.335 121.223 0.065 0.000 2.439 256 L HA 0.737 5.077 4.340 0.001 0.000 0.269 256 L C -0.473 176.433 176.870 0.061 0.000 1.179 256 L CA -0.068 54.821 54.840 0.083 0.000 0.828 256 L CB -0.602 41.535 42.059 0.130 0.000 1.106 256 L HN 0.403 nan 8.230 nan 0.000 0.467 257 D N 3.043 123.477 120.400 0.058 0.000 2.622 257 D HA 0.812 5.453 4.640 0.001 0.000 0.255 257 D C -3.098 173.226 176.300 0.040 0.000 1.246 257 D CA -0.810 53.215 54.000 0.042 0.000 0.795 257 D CB 1.958 42.777 40.800 0.032 0.000 1.369 257 D HN 0.687 nan 8.370 nan 0.000 0.425 258 P HA 0.662 nan 4.420 nan 0.000 0.292 258 P C -0.521 176.790 177.300 0.018 0.000 1.311 258 P CA -0.190 62.924 63.100 0.024 0.000 0.995 258 P CB 1.803 33.514 31.700 0.019 0.000 1.387 259 S N -0.872 114.836 115.700 0.014 0.000 3.812 259 S HA 0.466 4.937 4.470 0.001 0.000 0.195 259 S C 0.629 175.238 174.600 0.015 0.000 1.460 259 S CA -0.256 57.950 58.200 0.012 0.000 1.052 259 S CB -1.833 61.371 63.200 0.006 0.000 1.385 259 S HN 0.656 nan 8.310 nan 0.000 0.490 260 N N 2.804 121.518 118.700 0.023 0.000 2.716 260 N HA 0.552 5.293 4.740 0.001 0.000 0.245 260 N C -3.408 172.129 175.510 0.046 0.000 1.495 260 N CA -1.002 52.066 53.050 0.029 0.000 0.759 260 N CB 0.939 39.441 38.487 0.026 0.000 1.261 260 N HN 0.269 nan 8.380 nan 0.000 0.515 261 P HA 0.271 nan 4.420 nan 0.000 0.291 261 P C 0.403 177.761 177.300 0.097 0.000 1.340 261 P CA -0.352 62.794 63.100 0.077 0.000 0.799 261 P CB 1.477 33.216 31.700 0.065 0.000 0.917 262 R N 3.087 123.662 120.500 0.125 0.000 2.096 262 R HA -0.016 4.324 4.340 0.001 0.000 0.235 262 R C 0.572 176.968 176.300 0.160 0.000 1.127 262 R CA 1.415 57.592 56.100 0.128 0.000 0.968 262 R CB -1.098 29.276 30.300 0.124 0.000 0.861 262 R HN 0.522 nan 8.270 nan 0.000 0.440 263 D N -2.296 118.232 120.400 0.213 0.000 2.643 263 D HA -0.023 4.618 4.640 0.001 0.000 0.283 263 D C -0.072 176.403 176.300 0.291 0.000 1.242 263 D CA -0.831 53.322 54.000 0.254 0.000 0.863 263 D CB 0.282 41.252 40.800 0.282 0.000 1.382 263 D HN -0.097 nan 8.370 nan 0.000 0.444 264 F N 0.946 120.990 119.950 0.157 0.000 2.333 264 F HA -0.021 4.507 4.527 0.001 0.000 0.300 264 F C 1.746 177.487 175.800 -0.097 0.000 1.083 264 F CA 0.870 58.910 58.000 0.066 0.000 1.395 264 F CB -0.244 38.681 39.000 -0.126 0.000 1.056 264 F HN 0.320 nan 8.300 nan 0.000 0.529 265 I N 0.818 121.496 120.570 0.180 0.000 2.226 265 I HA -0.290 3.881 4.170 0.001 0.000 0.245 265 I C 1.745 177.834 176.117 -0.047 0.000 1.100 265 I CA 1.908 63.174 61.300 -0.056 0.000 1.374 265 I CB -1.305 36.359 38.000 -0.560 0.000 1.057 265 I HN 0.152 nan 8.210 nan 0.000 0.413 266 D N 1.188 121.586 120.400 -0.003 0.000 2.117 266 D HA -0.134 4.507 4.640 0.001 0.000 0.197 266 D C 2.238 178.547 176.300 0.016 0.000 0.987 266 D CA 0.795 54.832 54.000 0.062 0.000 0.829 266 D CB -0.425 40.446 40.800 0.118 0.000 0.961 266 D HN 0.093 nan 8.370 nan 0.000 0.460 267 V N 0.412 120.304 119.914 -0.036 0.000 2.392 267 V HA -0.315 3.806 4.120 0.001 0.000 0.249 267 V C 2.023 178.016 176.094 -0.168 0.000 1.059 267 V CA 1.538 63.781 62.300 -0.095 0.000 1.051 267 V CB -0.725 31.019 31.823 -0.131 0.000 0.658 267 V HN 0.256 nan 8.190 nan 0.000 0.455 268 Y N 0.387 120.463 120.300 -0.374 0.000 2.114 268 Y HA -0.219 4.332 4.550 0.001 0.000 0.284 268 Y C 2.316 178.134 175.900 -0.138 0.000 1.143 268 Y CA 1.722 59.648 58.100 -0.289 0.000 1.135 268 Y CB -0.286 38.036 38.460 -0.229 0.000 0.980 268 Y HN 0.101 nan 8.280 nan 0.000 0.499 269 L N -0.772 120.542 121.223 0.152 0.000 2.081 269 L HA -0.284 4.056 4.340 0.001 0.000 0.212 269 L C 2.238 179.104 176.870 -0.007 0.000 1.080 269 L CA 0.983 55.882 54.840 0.098 0.000 0.754 269 L CB -0.602 41.525 42.059 0.114 0.000 0.893 269 L HN 0.317 nan 8.230 nan 0.000 0.433 270 L N -0.100 121.106 121.223 -0.029 0.000 2.023 270 L HA -0.165 4.176 4.340 0.001 0.000 0.205 270 L C 3.230 180.050 176.870 -0.084 0.000 1.073 270 L CA 2.307 57.122 54.840 -0.041 0.000 0.745 270 L CB -1.282 40.761 42.059 -0.026 0.000 0.900 270 L HN 0.158 nan 8.230 nan 0.000 0.435 271 R N -0.897 119.520 120.500 -0.139 0.000 2.127 271 R HA -0.145 4.195 4.340 0.001 0.000 0.238 271 R C 2.022 178.207 176.300 -0.192 0.000 1.134 271 R CA 2.018 58.016 56.100 -0.169 0.000 0.975 271 R CB -1.260 28.905 30.300 -0.225 0.000 0.865 271 R HN 0.374 nan 8.270 nan 0.000 0.447 272 M N 0.005 119.457 119.600 -0.246 0.000 2.064 272 M HA -0.127 4.354 4.480 0.001 0.000 0.260 272 M C 2.925 179.170 176.300 -0.093 0.000 1.073 272 M CA 2.310 57.491 55.300 -0.198 0.000 1.124 272 M CB -0.501 31.985 32.600 -0.190 0.000 1.326 272 M HN 0.635 nan 8.290 nan 0.000 0.410 273 E N 0.875 121.040 120.200 -0.059 0.000 2.209 273 E HA -0.195 4.156 4.350 0.001 0.000 0.196 273 E C 1.924 178.505 176.600 -0.032 0.000 0.993 273 E CA 2.066 58.450 56.400 -0.028 0.000 0.819 273 E CB -1.184 28.510 29.700 -0.009 0.000 0.745 273 E HN 0.682 nan 8.360 nan 0.000 0.477 274 K N -0.278 120.095 120.400 -0.046 0.000 2.366 274 K HA 0.415 4.736 4.320 0.001 0.000 0.198 274 K C 1.085 177.661 176.600 -0.041 0.000 1.044 274 K CA 1.916 58.179 56.287 -0.040 0.000 0.973 274 K CB -0.866 31.608 32.500 -0.044 0.000 0.767 274 K HN 1.200 nan 8.250 nan 0.000 0.475 286 Q N 1.167 120.962 119.800 -0.009 0.000 2.468 286 Q HA -0.210 4.130 4.340 0.001 0.000 0.216 286 Q C 1.580 177.549 176.000 -0.052 0.000 0.991 286 Q CA 2.946 58.711 55.803 -0.063 0.000 0.900 286 Q CB -1.527 27.196 28.738 -0.025 0.000 0.930 286 Q HN 0.852 nan 8.270 nan 0.000 0.473 287 N N -0.589 118.106 118.700 -0.007 0.000 2.278 287 N HA 0.104 4.845 4.740 0.001 0.000 0.181 287 N C 1.682 177.198 175.510 0.010 0.000 1.023 287 N CA 0.709 53.763 53.050 0.007 0.000 0.862 287 N CB 0.087 38.589 38.487 0.025 0.000 1.003 287 N HN 0.262 nan 8.380 nan 0.000 0.431 288 L N 1.524 122.777 121.223 0.051 0.000 2.013 288 L HA -0.180 4.160 4.340 0.001 0.000 0.212 288 L C 2.166 179.039 176.870 0.004 0.000 1.073 288 L CA 1.623 56.513 54.840 0.083 0.000 0.753 288 L CB -0.976 41.229 42.059 0.244 0.000 0.890 288 L HN 0.297 nan 8.230 nan 0.000 0.432 289 I N -0.519 119.989 120.570 -0.103 0.000 2.151 289 I HA -0.382 3.789 4.170 0.001 0.000 0.243 289 I C 2.703 178.724 176.117 -0.159 0.000 1.080 289 I CA 1.205 62.385 61.300 -0.201 0.000 1.339 289 I CB -0.320 37.484 38.000 -0.327 0.000 1.039 289 I HN 0.273 nan 8.210 nan 0.000 0.409 290 L N 0.459 121.638 121.223 -0.073 0.000 2.021 290 L HA -0.297 4.044 4.340 0.001 0.000 0.215 290 L C 2.680 179.551 176.870 0.001 0.000 1.074 290 L CA 2.132 56.976 54.840 0.008 0.000 0.760 290 L CB -0.488 41.583 42.059 0.020 0.000 0.889 290 L HN 0.328 nan 8.230 nan 0.000 0.433 291 T N -0.956 113.580 114.554 -0.031 0.000 2.708 291 T HA -0.183 4.167 4.350 0.001 0.000 0.266 291 T C 1.895 176.513 174.700 -0.137 0.000 1.037 291 T CA 1.468 63.545 62.100 -0.038 0.000 1.146 291 T CB -0.354 68.503 68.868 -0.017 0.000 0.865 291 T HN 0.150 nan 8.240 nan 0.000 0.435 292 V N 1.553 121.321 119.914 -0.242 0.000 2.255 292 V HA -0.157 3.964 4.120 0.001 0.000 0.247 292 V C 2.479 178.151 176.094 -0.704 0.000 1.051 292 V CA 1.456 63.422 62.300 -0.557 0.000 1.018 292 V CB -0.745 30.694 31.823 -0.640 0.000 0.641 292 V HN 0.299 nan 8.190 nan 0.000 0.445 293 L N 0.232 121.189 121.223 -0.444 0.000 2.021 293 L HA -0.212 4.129 4.340 0.001 0.000 0.215 293 L C 2.597 179.369 176.870 -0.163 0.000 1.074 293 L CA 2.420 57.138 54.840 -0.204 0.000 0.760 293 L CB -1.059 41.012 42.059 0.021 0.000 0.889 293 L HN 0.379 nan 8.230 nan 0.000 0.433 294 S N -0.755 114.872 115.700 -0.122 0.000 2.353 294 S HA -0.185 4.286 4.470 0.001 0.000 0.222 294 S C 1.847 176.415 174.600 -0.054 0.000 1.035 294 S CA 1.281 59.428 58.200 -0.089 0.000 1.025 294 S CB -0.529 62.756 63.200 0.142 0.000 0.902 294 S HN 0.276 nan 8.310 nan 0.000 0.440 295 L N 1.142 122.326 121.223 -0.065 0.000 1.997 295 L HA -0.120 4.221 4.340 0.001 0.000 0.216 295 L C 2.186 179.129 176.870 0.122 0.000 1.074 295 L CA 1.720 56.558 54.840 -0.003 0.000 0.763 295 L CB -1.542 40.473 42.059 -0.073 0.000 0.890 295 L HN 0.222 nan 8.230 nan 0.000 0.434 296 F N -1.236 118.675 119.950 -0.066 0.000 2.120 296 F HA -0.255 4.273 4.527 0.001 0.000 0.300 296 F C 2.509 178.203 175.800 -0.177 0.000 1.095 296 F CA 0.869 58.794 58.000 -0.125 0.000 1.249 296 F CB -1.419 37.461 39.000 -0.201 0.000 0.995 296 F HN 0.026 nan 8.300 nan 0.000 0.480 297 F N -0.106 119.781 119.950 -0.106 0.000 2.163 297 F HA -0.073 4.454 4.527 0.001 0.000 0.297 297 F C 2.495 178.295 175.800 -0.000 0.000 1.094 297 F CA 1.078 58.961 58.000 -0.196 0.000 1.290 297 F CB -0.943 37.584 39.000 -0.787 0.000 1.017 297 F HN -0.066 nan 8.300 nan 0.000 0.483 298 A N 0.262 123.183 122.820 0.168 0.000 1.958 298 A HA -0.199 4.122 4.320 0.001 0.000 0.221 298 A C 2.497 180.176 177.584 0.158 0.000 1.178 298 A CA 2.100 54.239 52.037 0.169 0.000 0.642 298 A CB -1.607 17.468 19.000 0.126 0.000 0.816 298 A HN 0.434 nan 8.150 nan 0.000 0.453 299 G N -1.181 107.699 108.800 0.134 0.000 2.395 299 G HA2 -0.076 3.885 3.960 0.001 0.000 0.214 299 G HA3 -0.076 3.885 3.960 0.001 0.000 0.214 299 G C 1.601 176.545 174.900 0.075 0.000 1.177 299 G CA 1.574 46.736 45.100 0.103 0.000 0.794 299 G HN 0.487 nan 8.290 nan 0.000 0.532 300 T N 0.839 115.421 114.554 0.047 0.000 2.737 300 T HA -0.146 4.205 4.350 0.001 0.000 0.269 300 T C 1.991 176.702 174.700 0.019 0.000 1.040 300 T CA 1.402 63.510 62.100 0.013 0.000 1.142 300 T CB -0.238 68.592 68.868 -0.065 0.000 0.861 300 T HN 0.347 nan 8.240 nan 0.000 0.456 301 E N 0.874 121.148 120.200 0.123 0.000 2.118 301 E HA -0.171 4.180 4.350 0.001 0.000 0.195 301 E C 2.152 178.712 176.600 -0.066 0.000 0.992 301 E CA 1.464 57.848 56.400 -0.026 0.000 0.804 301 E CB -0.247 29.632 29.700 0.298 0.000 0.741 301 E HN 0.509 nan 8.360 nan 0.000 0.458 302 T N 0.090 114.652 114.554 0.012 0.000 2.857 302 T HA -0.087 4.264 4.350 0.001 0.000 0.266 302 T C 1.856 176.552 174.700 -0.007 0.000 1.048 302 T CA 1.653 63.751 62.100 -0.002 0.000 1.139 302 T CB -0.370 68.497 68.868 -0.002 0.000 0.874 302 T HN 0.233 nan 8.240 nan 0.000 0.455 303 T N 1.565 116.124 114.554 0.008 0.000 2.684 303 T HA -0.138 4.213 4.350 0.001 0.000 0.267 303 T C 2.286 177.002 174.700 0.028 0.000 1.036 303 T CA 1.515 63.635 62.100 0.034 0.000 1.148 303 T CB -0.542 68.358 68.868 0.054 0.000 0.863 303 T HN 0.373 nan 8.240 nan 0.000 0.436 304 S N 0.549 116.228 115.700 -0.035 0.000 2.356 304 S HA -0.161 4.310 4.470 0.001 0.000 0.223 304 S C 2.235 176.913 174.600 0.130 0.000 1.032 304 S CA 1.881 60.075 58.200 -0.010 0.000 1.005 304 S CB -0.829 62.189 63.200 -0.304 0.000 0.867 304 S HN 0.553 nan 8.310 nan 0.000 0.449 305 T N 1.328 115.920 114.554 0.064 0.000 2.821 305 T HA -0.059 4.291 4.350 0.001 0.000 0.267 305 T C 1.894 176.697 174.700 0.172 0.000 1.046 305 T CA 1.770 63.948 62.100 0.129 0.000 1.139 305 T CB -0.852 68.059 68.868 0.072 0.000 0.871 305 T HN 0.527 nan 8.240 nan 0.000 0.454 306 T N 2.619 117.239 114.554 0.109 0.000 2.759 306 T HA -0.012 4.339 4.350 0.001 0.000 0.269 306 T C 1.941 176.755 174.700 0.190 0.000 1.042 306 T CA 0.900 63.066 62.100 0.109 0.000 1.140 306 T CB -0.442 68.451 68.868 0.042 0.000 0.864 306 T HN 0.261 nan 8.240 nan 0.000 0.455 307 L N 0.176 121.524 121.223 0.208 0.000 2.005 307 L HA -0.078 4.263 4.340 0.001 0.000 0.207 307 L C 2.984 180.199 176.870 0.575 0.000 1.072 307 L CA 1.439 56.454 54.840 0.292 0.000 0.744 307 L CB -0.473 41.648 42.059 0.104 0.000 0.895 307 L HN 0.144 nan 8.230 nan 0.000 0.433 308 R N -0.946 119.918 120.500 0.606 0.000 2.113 308 R HA -0.278 4.063 4.340 0.001 0.000 0.244 308 R C 2.322 178.890 176.300 0.446 0.000 1.142 308 R CA 2.348 58.717 56.100 0.448 0.000 0.953 308 R CB -0.686 29.745 30.300 0.218 0.000 0.860 308 R HN 0.298 nan 8.270 nan 0.000 0.438 309 Y N 0.585 121.031 120.300 0.243 0.000 2.181 309 Y HA -0.146 4.404 4.550 0.001 0.000 0.288 309 Y C 2.310 178.280 175.900 0.117 0.000 1.146 309 Y CA 1.691 59.892 58.100 0.168 0.000 1.164 309 Y CB -0.649 37.871 38.460 0.100 0.000 0.982 309 Y HN 0.092 nan 8.280 nan 0.000 0.515 310 G N -0.428 108.513 108.800 0.236 0.000 2.446 310 G HA2 -0.307 3.654 3.960 0.001 0.000 0.217 310 G HA3 -0.307 3.654 3.960 0.001 0.000 0.217 310 G C 1.482 176.308 174.900 -0.123 0.000 1.168 310 G CA 1.145 46.255 45.100 0.017 0.000 0.771 310 G HN 0.427 nan 8.290 nan 0.000 0.551 311 F N 0.086 120.089 119.950 0.089 0.000 2.113 311 F HA 0.079 4.607 4.527 0.001 0.000 0.297 311 F C 2.465 178.185 175.800 -0.134 0.000 1.103 311 F CA 0.867 58.895 58.000 0.046 0.000 1.248 311 F CB -0.688 38.430 39.000 0.197 0.000 0.999 311 F HN 0.110 nan 8.300 nan 0.000 0.475 312 L N 0.025 121.212 121.223 -0.060 0.000 2.013 312 L HA -0.234 4.107 4.340 0.001 0.000 0.212 312 L C 2.276 178.946 176.870 -0.332 0.000 1.073 312 L CA 1.608 56.180 54.840 -0.448 0.000 0.753 312 L CB -0.989 40.755 42.059 -0.525 0.000 0.890 312 L HN 0.205 nan 8.230 nan 0.000 0.432 313 L N -1.219 119.778 121.223 -0.377 0.000 1.990 313 L HA -0.339 4.002 4.340 0.001 0.000 0.213 313 L C 2.898 179.620 176.870 -0.248 0.000 1.072 313 L CA 2.758 57.371 54.840 -0.379 0.000 0.755 313 L CB -0.358 41.403 42.059 -0.498 0.000 0.889 313 L HN 0.460 nan 8.230 nan 0.000 0.432 314 M N -1.294 118.167 119.600 -0.233 0.000 2.279 314 M HA -0.148 4.333 4.480 0.001 0.000 0.264 314 M C 2.089 178.344 176.300 -0.074 0.000 1.062 314 M CA 2.014 57.221 55.300 -0.156 0.000 1.099 314 M CB -1.716 30.823 32.600 -0.102 0.000 1.394 314 M HN 0.403 nan 8.290 nan 0.000 0.426 315 L N 0.723 121.893 121.223 -0.088 0.000 2.046 315 L HA -0.178 4.162 4.340 0.001 0.000 0.208 315 L C 3.285 180.085 176.870 -0.117 0.000 1.077 315 L CA 1.816 56.595 54.840 -0.102 0.000 0.747 315 L CB -0.929 41.024 42.059 -0.177 0.000 0.896 315 L HN 0.626 nan 8.230 nan 0.000 0.432 316 K N -0.556 119.770 120.400 -0.124 0.000 2.288 316 K HA -0.116 4.205 4.320 0.001 0.000 0.201 316 K C 0.329 176.702 176.600 -0.378 0.000 1.048 316 K CA 1.092 57.248 56.287 -0.217 0.000 0.956 316 K CB -0.530 31.860 32.500 -0.184 0.000 0.746 316 K HN 0.402 nan 8.250 nan 0.000 0.461 317 Y N -0.518 119.653 120.300 -0.216 0.000 2.511 317 Y HA 0.262 4.812 4.550 0.001 0.000 0.356 317 Y C -2.124 173.553 175.900 -0.371 0.000 1.002 317 Y CA -2.545 55.372 58.100 -0.304 0.000 1.127 317 Y CB 1.686 39.865 38.460 -0.469 0.000 1.137 317 Y HN 0.055 nan 8.280 nan 0.000 0.652 318 P HA -0.179 nan 4.420 nan 0.000 0.220 318 P C 1.084 178.392 177.300 0.013 0.000 1.148 318 P CA 1.794 64.888 63.100 -0.009 0.000 0.803 318 P CB 0.041 31.763 31.700 0.038 0.000 0.782 319 H N -2.216 116.900 119.070 0.078 0.000 2.456 319 H HA -0.038 4.518 4.556 0.001 0.000 0.296 319 H C 1.400 176.804 175.328 0.127 0.000 1.079 319 H CA 0.716 56.815 56.048 0.085 0.000 1.322 319 H CB -1.414 28.398 29.762 0.084 0.000 1.388 319 H HN -0.067 nan 8.280 nan 0.000 0.538 320 V N 0.776 120.554 119.914 -0.226 0.000 2.346 320 V HA -0.219 3.902 4.120 0.001 0.000 0.244 320 V C 2.396 178.564 176.094 0.123 0.000 1.037 320 V CA 1.973 64.308 62.300 0.058 0.000 1.029 320 V CB -0.778 31.039 31.823 -0.010 0.000 0.663 320 V HN 0.567 nan 8.190 nan 0.000 0.454 321 T N 0.326 114.894 114.554 0.023 0.000 2.699 321 T HA -0.256 4.095 4.350 0.001 0.000 0.268 321 T C 2.157 176.903 174.700 0.076 0.000 1.036 321 T CA 2.223 64.353 62.100 0.052 0.000 1.147 321 T CB -0.544 68.347 68.868 0.038 0.000 0.862 321 T HN 0.765 nan 8.240 nan 0.000 0.446 322 E N 2.191 122.430 120.200 0.066 0.000 2.038 322 E HA -0.233 4.118 4.350 0.001 0.000 0.195 322 E C 2.140 178.766 176.600 0.042 0.000 1.000 322 E CA 1.602 58.036 56.400 0.057 0.000 0.803 322 E CB -0.801 28.935 29.700 0.061 0.000 0.750 322 E HN 0.584 nan 8.360 nan 0.000 0.448 323 R N -0.388 120.130 120.500 0.030 0.000 2.096 323 R HA -0.115 4.226 4.340 0.001 0.000 0.240 323 R C 2.622 178.936 176.300 0.022 0.000 1.139 323 R CA 1.614 57.663 56.100 -0.084 0.000 0.952 323 R CB -0.816 29.250 30.300 -0.390 0.000 0.854 323 R HN 0.394 nan 8.270 nan 0.000 0.436 324 V N 1.245 121.268 119.914 0.182 0.000 2.287 324 V HA -0.288 3.833 4.120 0.001 0.000 0.248 324 V C 2.325 178.478 176.094 0.099 0.000 1.053 324 V CA 1.817 64.236 62.300 0.199 0.000 1.027 324 V CB -0.520 31.407 31.823 0.174 0.000 0.646 324 V HN 0.407 nan 8.190 nan 0.000 0.447 325 Q N -0.019 119.825 119.800 0.073 0.000 2.181 325 Q HA -0.229 4.112 4.340 0.001 0.000 0.205 325 Q C 2.540 178.558 176.000 0.029 0.000 0.980 325 Q CA 2.247 58.080 55.803 0.049 0.000 0.862 325 Q CB -0.346 28.421 28.738 0.048 0.000 0.905 325 Q HN 0.792 nan 8.270 nan 0.000 0.429 326 K N 1.418 121.831 120.400 0.021 0.000 1.984 326 K HA -0.206 4.115 4.320 0.001 0.000 0.209 326 K C 1.627 178.234 176.600 0.011 0.000 1.046 326 K CA 1.600 57.889 56.287 0.003 0.000 0.934 326 K CB -1.011 31.477 32.500 -0.021 0.000 0.717 326 K HN 0.331 nan 8.250 nan 0.000 0.438 327 E N -0.131 120.083 120.200 0.024 0.000 2.114 327 E HA -0.179 4.172 4.350 0.001 0.000 0.199 327 E C 2.076 178.707 176.600 0.053 0.000 1.008 327 E CA 1.359 57.788 56.400 0.048 0.000 0.810 327 E CB -0.278 29.481 29.700 0.099 0.000 0.739 327 E HN 0.575 nan 8.360 nan 0.000 0.456 328 I N 0.656 121.256 120.570 0.050 0.000 2.163 328 I HA -0.307 3.864 4.170 0.001 0.000 0.243 328 I C 2.846 178.974 176.117 0.018 0.000 1.085 328 I CA 1.875 63.196 61.300 0.035 0.000 1.347 328 I CB -0.605 37.407 38.000 0.020 0.000 1.044 328 I HN 0.253 nan 8.210 nan 0.000 0.408 329 E N 0.456 120.660 120.200 0.006 0.000 2.150 329 E HA -0.243 4.107 4.350 0.001 0.000 0.193 329 E C 1.951 178.550 176.600 -0.001 0.000 0.985 329 E CA 1.121 57.514 56.400 -0.010 0.000 0.814 329 E CB -0.752 28.937 29.700 -0.018 0.000 0.752 329 E HN 0.653 nan 8.360 nan 0.000 0.466 330 Q N -0.717 119.089 119.800 0.010 0.000 2.369 330 Q HA 0.047 4.388 4.340 0.001 0.000 0.206 330 Q C 1.920 177.933 176.000 0.022 0.000 0.963 330 Q CA 1.277 57.088 55.803 0.013 0.000 0.894 330 Q CB 0.531 29.276 28.738 0.013 0.000 0.965 330 Q HN 0.506 nan 8.270 nan 0.000 0.475 331 V N -1.195 118.738 119.914 0.031 0.000 3.159 331 V HA 0.035 4.156 4.120 0.001 0.000 0.234 331 V C 1.450 177.570 176.094 0.043 0.000 1.313 331 V CA 0.371 62.696 62.300 0.041 0.000 1.271 331 V CB 0.392 32.251 31.823 0.060 0.000 1.053 331 V HN 0.172 nan 8.190 nan 0.000 0.476 332 I N 0.214 120.809 120.570 0.040 0.000 3.854 332 I HA 0.467 4.638 4.170 0.001 0.000 0.312 332 I C 1.504 177.631 176.117 0.015 0.000 1.273 332 I CA 0.885 62.207 61.300 0.037 0.000 1.298 332 I CB -0.022 38.001 38.000 0.039 0.000 1.071 332 I HN 0.438 nan 8.210 nan 0.000 0.428 333 G N 1.081 109.881 108.800 -0.000 0.000 2.569 333 G HA2 -0.322 3.639 3.960 0.001 0.000 0.259 333 G HA3 -0.322 3.639 3.960 0.001 0.000 0.259 333 G C 0.483 175.331 174.900 -0.088 0.000 1.263 333 G CA 0.186 45.267 45.100 -0.032 0.000 0.928 333 G HN 0.202 nan 8.290 nan 0.000 0.572 334 S N -1.185 114.393 115.700 -0.202 0.000 2.603 334 S HA 0.273 4.744 4.470 0.001 0.000 0.232 334 S C 1.017 175.368 174.600 -0.416 0.000 1.016 334 S CA 0.695 58.685 58.200 -0.349 0.000 0.976 334 S CB 0.003 62.901 63.200 -0.504 0.000 0.921 334 S HN 0.604 nan 8.310 nan 0.000 0.516 335 H N 1.341 120.413 119.070 0.005 0.000 2.893 335 H HA 0.336 4.893 4.556 0.001 0.000 0.270 335 H C 0.521 175.854 175.328 0.009 0.000 1.095 335 H CA 0.026 56.077 56.048 0.004 0.000 1.186 335 H CB 0.497 30.261 29.762 0.003 0.000 1.562 335 H HN 0.455 nan 8.280 nan 0.000 0.536 336 R N 0.430 120.984 120.500 0.090 0.000 2.837 336 R HA 0.549 4.890 4.340 0.001 0.000 0.271 336 R C -3.325 173.001 176.300 0.044 0.000 0.993 336 R CA -1.960 54.180 56.100 0.066 0.000 0.931 336 R CB 1.356 31.692 30.300 0.060 0.000 1.206 336 R HN -0.240 nan 8.270 nan 0.000 0.474 337 P HA 0.239 nan 4.420 nan 0.000 0.271 337 P C -2.500 174.822 177.300 0.037 0.000 1.218 337 P CA -1.318 61.805 63.100 0.038 0.000 0.780 337 P CB 0.069 31.794 31.700 0.041 0.000 0.901 338 P HA 0.289 nan 4.420 nan 0.000 0.269 338 P C -0.933 176.413 177.300 0.076 0.000 1.209 338 P CA 0.172 63.294 63.100 0.038 0.000 0.776 338 P CB 0.481 32.149 31.700 -0.053 0.000 0.876 339 A N 1.854 124.759 122.820 0.141 0.000 2.469 339 A HA 0.396 4.717 4.320 0.001 0.000 0.299 339 A C 0.642 178.345 177.584 0.198 0.000 1.098 339 A CA -0.470 51.646 52.037 0.131 0.000 0.737 339 A CB 0.681 19.724 19.000 0.072 0.000 1.312 339 A HN 0.479 nan 8.150 nan 0.000 0.414 340 L N 0.664 121.958 121.223 0.119 0.000 2.081 340 L HA -0.153 4.188 4.340 0.001 0.000 0.212 340 L C 1.338 178.161 176.870 -0.077 0.000 1.080 340 L CA 2.695 57.556 54.840 0.034 0.000 0.754 340 L CB -0.991 41.056 42.059 -0.021 0.000 0.893 340 L HN 0.850 nan 8.230 nan 0.000 0.433 341 D N -0.790 119.596 120.400 -0.023 0.000 2.310 341 D HA -0.150 4.491 4.640 0.001 0.000 0.212 341 D C 1.606 177.885 176.300 -0.035 0.000 0.965 341 D CA 0.958 54.933 54.000 -0.043 0.000 0.879 341 D CB -0.114 40.677 40.800 -0.016 0.000 0.921 341 D HN 0.401 nan 8.370 nan 0.000 0.510 342 D N 0.250 120.671 120.400 0.035 0.000 2.178 342 D HA -0.122 4.519 4.640 0.001 0.000 0.202 342 D C 1.922 178.238 176.300 0.027 0.000 0.974 342 D CA 0.479 54.538 54.000 0.100 0.000 0.841 342 D CB -0.188 40.760 40.800 0.246 0.000 0.953 342 D HN 0.210 nan 8.370 nan 0.000 0.478 343 R N 1.080 121.399 120.500 -0.300 0.000 2.133 343 R HA -0.203 4.137 4.340 0.001 0.000 0.247 343 R C 2.016 178.178 176.300 -0.231 0.000 1.151 343 R CA 1.751 57.478 56.100 -0.622 0.000 0.971 343 R CB -0.205 29.298 30.300 -1.327 0.000 0.866 343 R HN 0.101 nan 8.270 nan 0.000 0.447 344 A N 0.557 123.274 122.820 -0.172 0.000 1.908 344 A HA -0.158 4.162 4.320 0.001 0.000 0.218 344 A C 2.277 179.837 177.584 -0.041 0.000 1.181 344 A CA 2.294 54.274 52.037 -0.094 0.000 0.627 344 A CB -0.819 18.136 19.000 -0.074 0.000 0.818 344 A HN 0.532 nan 8.150 nan 0.000 0.445 345 K N -0.826 119.567 120.400 -0.011 0.000 2.469 345 K HA 0.584 4.905 4.320 0.001 0.000 0.201 345 K C 0.451 177.079 176.600 0.047 0.000 1.028 345 K CA 0.532 56.830 56.287 0.018 0.000 1.170 345 K CB -0.714 31.800 32.500 0.025 0.000 0.874 345 K HN 0.606 nan 8.250 nan 0.000 0.507 346 M N 1.035 120.669 119.600 0.057 0.000 3.053 346 M HA 0.176 4.656 4.480 0.001 0.000 0.293 346 M C -2.070 174.287 176.300 0.095 0.000 1.470 346 M CA -1.662 53.703 55.300 0.108 0.000 0.582 346 M CB 1.815 34.532 32.600 0.194 0.000 1.435 346 M HN -0.084 nan 8.290 nan 0.000 0.451 347 P HA -0.259 nan 4.420 nan 0.000 0.214 347 P C 1.266 178.601 177.300 0.058 0.000 1.169 347 P CA 1.830 64.951 63.100 0.035 0.000 0.908 347 P CB 0.004 31.733 31.700 0.049 0.000 0.791 348 Y N 1.344 121.649 120.300 0.009 0.000 2.040 348 Y HA -0.251 4.300 4.550 0.001 0.000 0.275 348 Y C 2.568 178.481 175.900 0.021 0.000 1.171 348 Y CA 2.906 61.015 58.100 0.015 0.000 1.123 348 Y CB -1.423 37.056 38.460 0.030 0.000 0.963 348 Y HN -0.055 nan 8.280 nan 0.000 0.493 349 T N -0.063 114.569 114.554 0.130 0.000 2.699 349 T HA -0.236 4.115 4.350 0.001 0.000 0.268 349 T C 1.559 176.278 174.700 0.032 0.000 1.036 349 T CA 1.565 63.714 62.100 0.081 0.000 1.147 349 T CB -0.497 68.480 68.868 0.181 0.000 0.862 349 T HN 0.401 nan 8.240 nan 0.000 0.446 350 D N 1.097 121.520 120.400 0.038 0.000 2.078 350 D HA -0.039 4.602 4.640 0.001 0.000 0.193 350 D C 2.414 178.594 176.300 -0.201 0.000 0.990 350 D CA 1.418 55.407 54.000 -0.019 0.000 0.827 350 D CB -0.505 40.228 40.800 -0.113 0.000 0.975 350 D HN 0.330 nan 8.370 nan 0.000 0.451 351 A N 0.321 122.948 122.820 -0.321 0.000 1.927 351 A HA -0.197 4.123 4.320 0.001 0.000 0.220 351 A C 2.629 179.961 177.584 -0.419 0.000 1.185 351 A CA 2.059 53.844 52.037 -0.420 0.000 0.639 351 A CB -0.884 17.962 19.000 -0.257 0.000 0.820 351 A HN 0.231 nan 8.150 nan 0.000 0.451 352 V N 0.316 120.018 119.914 -0.354 0.000 2.261 352 V HA -0.277 3.844 4.120 0.001 0.000 0.246 352 V C 2.437 178.476 176.094 -0.091 0.000 1.047 352 V CA 2.016 64.178 62.300 -0.229 0.000 1.015 352 V CB -0.753 30.955 31.823 -0.192 0.000 0.642 352 V HN 0.592 nan 8.190 nan 0.000 0.446 353 I N -0.465 120.075 120.570 -0.050 0.000 2.208 353 I HA -0.298 3.872 4.170 0.001 0.000 0.245 353 I C 2.564 178.651 176.117 -0.050 0.000 1.097 353 I CA 1.916 63.219 61.300 0.006 0.000 1.363 353 I CB -0.748 37.301 38.000 0.082 0.000 1.051 353 I HN 0.369 nan 8.210 nan 0.000 0.413 354 H N 0.510 119.336 119.070 -0.408 0.000 2.289 354 H HA -0.236 4.321 4.556 0.001 0.000 0.296 354 H C 2.155 177.137 175.328 -0.576 0.000 1.091 354 H CA 1.875 57.459 56.048 -0.773 0.000 1.274 354 H CB -0.337 28.327 29.762 -1.830 0.000 1.364 354 H HN 0.216 nan 8.280 nan 0.000 0.490 355 E N 0.538 120.474 120.200 -0.439 0.000 2.118 355 E HA -0.121 4.230 4.350 0.001 0.000 0.195 355 E C 2.163 178.763 176.600 -0.000 0.000 0.992 355 E CA 0.974 57.234 56.400 -0.233 0.000 0.804 355 E CB -0.394 28.992 29.700 -0.523 0.000 0.741 355 E HN 0.514 nan 8.360 nan 0.000 0.458 356 I N 0.323 120.949 120.570 0.094 0.000 2.202 356 I HA -0.288 3.882 4.170 0.001 0.000 0.242 356 I C 2.534 178.699 176.117 0.081 0.000 1.091 356 I CA 1.190 62.608 61.300 0.198 0.000 1.368 356 I CB -0.305 37.796 38.000 0.169 0.000 1.058 356 I HN 0.145 nan 8.210 nan 0.000 0.410 357 Q N 0.193 120.009 119.800 0.027 0.000 2.124 357 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 357 Q C 2.346 178.296 176.000 -0.084 0.000 0.977 357 Q CA 1.333 57.112 55.803 -0.040 0.000 0.850 357 Q CB -0.231 28.507 28.738 -0.000 0.000 0.901 357 Q HN 0.453 nan 8.270 nan 0.000 0.429 358 R N 0.726 121.224 120.500 -0.004 0.000 2.096 358 R HA -0.133 4.207 4.340 0.001 0.000 0.229 358 R C 2.389 178.545 176.300 -0.240 0.000 1.134 358 R CA 1.188 57.217 56.100 -0.119 0.000 0.917 358 R CB -0.387 29.841 30.300 -0.120 0.000 0.832 358 R HN 0.221 nan 8.270 nan 0.000 0.430 359 L N -0.149 120.996 121.223 -0.130 0.000 2.042 359 L HA -0.162 4.179 4.340 0.001 0.000 0.210 359 L C 2.555 179.317 176.870 -0.180 0.000 1.076 359 L CA 1.551 56.363 54.840 -0.048 0.000 0.749 359 L CB -0.860 41.312 42.059 0.188 0.000 0.893 359 L HN 0.552 nan 8.230 nan 0.000 0.432 360 G N -0.813 107.734 108.800 -0.422 0.000 2.491 360 G HA2 -0.357 3.604 3.960 0.001 0.000 0.218 360 G HA3 -0.357 3.604 3.960 0.001 0.000 0.218 360 G C 0.557 175.200 174.900 -0.429 0.000 1.180 360 G CA 0.943 45.539 45.100 -0.840 0.000 0.774 360 G HN 0.582 nan 8.290 nan 0.000 0.562 361 D N -1.043 119.191 120.400 -0.275 0.000 2.697 361 D HA -0.145 4.495 4.640 0.001 0.000 0.238 361 D C 1.335 177.525 176.300 -0.183 0.000 1.152 361 D CA 0.332 54.221 54.000 -0.185 0.000 0.666 361 D CB -1.348 39.423 40.800 -0.048 0.000 1.037 361 D HN 0.339 nan 8.370 nan 0.000 0.423 362 L N -0.271 120.834 121.223 -0.197 0.000 2.376 362 L HA 0.065 4.406 4.340 0.001 0.000 0.219 362 L C 1.278 178.080 176.870 -0.112 0.000 1.133 362 L CA 0.724 55.475 54.840 -0.148 0.000 0.816 362 L CB -0.082 41.897 42.059 -0.133 0.000 0.933 362 L HN 0.298 nan 8.230 nan 0.000 0.449 363 I N -0.274 120.217 120.570 -0.132 0.000 2.862 363 I HA 0.160 4.330 4.170 0.001 0.000 0.285 363 I C -1.838 174.207 176.117 -0.121 0.000 1.339 363 I CA -1.174 60.070 61.300 -0.093 0.000 1.002 363 I CB 1.284 39.235 38.000 -0.083 0.000 1.618 363 I HN -0.168 nan 8.210 nan 0.000 0.593 364 P HA -0.020 nan 4.420 nan 0.000 0.221 364 P C 1.154 178.215 177.300 -0.397 0.000 1.150 364 P CA 1.343 64.232 63.100 -0.351 0.000 0.800 364 P CB 0.127 31.474 31.700 -0.588 0.000 0.787 365 F N -1.104 118.809 119.950 -0.061 0.000 2.749 365 F HA 0.340 4.868 4.527 0.001 0.000 0.300 365 F C 1.666 177.398 175.800 -0.114 0.000 1.103 365 F CA 0.444 58.387 58.000 -0.096 0.000 1.342 365 F CB -0.311 38.565 39.000 -0.207 0.000 1.098 365 F HN -0.029 nan 8.300 nan 0.000 0.586 366 G N 0.659 109.480 108.800 0.035 0.000 2.804 366 G HA2 -0.214 3.746 3.960 0.001 0.000 0.230 366 G HA3 -0.214 3.746 3.960 0.001 0.000 0.230 366 G C -0.866 174.053 174.900 0.033 0.000 1.386 366 G CA -0.704 44.399 45.100 0.004 0.000 0.875 366 G HN 0.021 nan 8.290 nan 0.000 0.557 367 V N 2.338 122.288 119.914 0.060 0.000 2.350 367 V HA 0.448 4.568 4.120 0.001 0.000 0.276 367 V C -1.613 174.616 176.094 0.224 0.000 1.028 367 V CA -1.099 61.275 62.300 0.123 0.000 0.860 367 V CB 1.467 33.391 31.823 0.168 0.000 0.990 367 V HN 0.661 nan 8.190 nan 0.000 0.453 368 P HA 0.091 nan 4.420 nan 0.000 0.264 368 P C -0.232 177.311 177.300 0.406 0.000 1.183 368 P CA 0.656 63.940 63.100 0.307 0.000 0.763 368 P CB 0.277 32.153 31.700 0.292 0.000 0.807 369 H N -0.184 118.947 119.070 0.101 0.000 2.858 369 H HA 0.580 5.137 4.556 0.001 0.000 0.318 369 H C -0.367 174.971 175.328 0.018 0.000 1.419 369 H CA -0.931 55.148 56.048 0.051 0.000 1.373 369 H CB 1.944 31.747 29.762 0.069 0.000 1.915 369 H HN 0.196 nan 8.280 nan 0.000 0.704 370 T N 1.522 116.136 114.554 0.101 0.000 3.050 370 T HA 0.158 4.509 4.350 0.001 0.000 0.310 370 T C -0.564 174.089 174.700 -0.078 0.000 0.978 370 T CA -0.585 61.503 62.100 -0.019 0.000 1.013 370 T CB 1.101 69.936 68.868 -0.055 0.000 1.000 370 T HN 0.202 nan 8.240 nan 0.000 0.447 371 V N 4.295 124.115 119.914 -0.155 0.000 2.694 371 V HA 0.074 4.195 4.120 0.001 0.000 0.306 371 V C 2.007 177.979 176.094 -0.203 0.000 1.054 371 V CA 1.049 63.176 62.300 -0.288 0.000 1.161 371 V CB 1.049 32.624 31.823 -0.412 0.000 0.916 371 V HN 1.128 nan 8.190 nan 0.000 0.490 372 T N 1.606 116.040 114.554 -0.200 0.000 3.010 372 T HA 0.105 4.456 4.350 0.001 0.000 0.252 372 T C 0.492 175.122 174.700 -0.118 0.000 1.047 372 T CA 0.208 62.227 62.100 -0.134 0.000 1.140 372 T CB 0.101 68.905 68.868 -0.107 0.000 0.885 372 T HN 0.702 nan 8.240 nan 0.000 0.464 373 K N 1.003 121.320 120.400 -0.138 0.000 2.371 373 K HA 0.402 4.723 4.320 0.001 0.000 0.251 373 K C -1.523 175.008 176.600 -0.115 0.000 0.934 373 K CA -0.897 55.330 56.287 -0.101 0.000 0.798 373 K CB 1.595 34.051 32.500 -0.073 0.000 1.204 373 K HN -0.087 nan 8.250 nan 0.000 0.427 374 D N 2.492 122.845 120.400 -0.078 0.000 2.583 374 D HA -0.001 4.639 4.640 0.001 0.000 0.232 374 D C -0.511 175.754 176.300 -0.059 0.000 1.128 374 D CA 0.951 54.911 54.000 -0.066 0.000 0.859 374 D CB 0.804 41.583 40.800 -0.035 0.000 1.169 374 D HN 0.503 nan 8.370 nan 0.000 0.481 375 T N 2.155 116.674 114.554 -0.059 0.000 2.909 375 T HA 0.235 4.585 4.350 0.001 0.000 0.299 375 T C -0.293 174.445 174.700 0.064 0.000 1.073 375 T CA -0.718 61.370 62.100 -0.021 0.000 0.999 375 T CB 2.319 71.126 68.868 -0.102 0.000 1.098 375 T HN 0.235 nan 8.240 nan 0.000 0.477 376 Q N 1.775 121.640 119.800 0.107 0.000 2.368 376 Q HA 0.578 4.919 4.340 0.001 0.000 0.256 376 Q C -1.728 174.419 176.000 0.246 0.000 0.980 376 Q CA -0.544 55.345 55.803 0.143 0.000 0.887 376 Q CB 0.525 29.314 28.738 0.084 0.000 1.221 376 Q HN 0.561 nan 8.270 nan 0.000 0.458 377 F N 3.300 123.323 119.950 0.122 0.000 2.539 377 F HA 0.408 4.936 4.527 0.001 0.000 0.318 377 F C -0.208 175.663 175.800 0.119 0.000 1.135 377 F CA -0.640 57.456 58.000 0.159 0.000 0.915 377 F CB 0.993 40.160 39.000 0.278 0.000 1.176 377 F HN 0.598 nan 8.300 nan 0.000 0.440 378 R N 4.147 124.276 120.500 -0.618 0.000 3.301 378 R HA -0.218 4.123 4.340 0.001 0.000 0.249 378 R C 0.951 177.026 176.300 -0.374 0.000 0.964 378 R CA 0.906 56.695 56.100 -0.519 0.000 0.653 378 R CB -1.940 27.995 30.300 -0.609 0.000 1.043 378 R HN 1.404 nan 8.270 nan 0.000 0.454 379 G N -1.491 107.157 108.800 -0.254 0.000 2.179 379 G HA2 -0.354 3.607 3.960 0.001 0.000 0.257 379 G HA3 -0.354 3.607 3.960 0.001 0.000 0.257 379 G C -0.113 174.580 174.900 -0.344 0.000 1.010 379 G CA 0.922 45.858 45.100 -0.273 0.000 0.736 379 G HN 0.571 nan 8.290 nan 0.000 0.513 380 Y N -2.204 118.127 120.300 0.052 0.000 2.693 380 Y HA 0.670 5.220 4.550 0.001 0.000 0.331 380 Y C 0.479 176.436 175.900 0.096 0.000 1.092 380 Y CA -1.526 56.623 58.100 0.082 0.000 1.131 380 Y CB 1.805 40.333 38.460 0.114 0.000 1.318 380 Y HN 0.083 nan 8.280 nan 0.000 0.510 381 V N 2.460 122.542 119.914 0.281 0.000 2.513 381 V HA 0.453 4.573 4.120 0.001 0.000 0.299 381 V C -0.608 175.552 176.094 0.111 0.000 1.035 381 V CA -0.781 61.612 62.300 0.155 0.000 0.889 381 V CB 1.631 33.512 31.823 0.097 0.000 0.988 381 V HN 0.454 nan 8.190 nan 0.000 0.440 382 I N 5.495 126.102 120.570 0.061 0.000 2.439 382 I HA 0.396 4.567 4.170 0.001 0.000 0.285 382 I C -2.688 173.383 176.117 -0.076 0.000 1.021 382 I CA -2.030 59.255 61.300 -0.025 0.000 1.091 382 I CB 2.594 40.556 38.000 -0.064 0.000 1.242 382 I HN 0.410 nan 8.210 nan 0.000 0.439 383 P HA 0.043 nan 4.420 nan 0.000 0.271 383 P C -0.626 176.610 177.300 -0.107 0.000 1.216 383 P CA -0.487 62.568 63.100 -0.075 0.000 0.776 383 P CB 0.540 32.203 31.700 -0.061 0.000 0.881 384 K N 3.577 123.918 120.400 -0.099 0.000 2.530 384 K HA -0.116 4.205 4.320 0.001 0.000 0.280 384 K C 0.169 176.708 176.600 -0.103 0.000 1.004 384 K CA 0.467 56.689 56.287 -0.110 0.000 1.071 384 K CB -0.420 32.031 32.500 -0.083 0.000 0.876 384 K HN 0.420 nan 8.250 nan 0.000 0.487 385 N N 1.274 119.904 118.700 -0.116 0.000 3.003 385 N HA -0.130 4.611 4.740 0.001 0.000 0.237 385 N C -1.188 174.258 175.510 -0.108 0.000 0.969 385 N CA 1.251 54.241 53.050 -0.101 0.000 0.941 385 N CB -1.547 36.892 38.487 -0.081 0.000 1.098 385 N HN 0.705 nan 8.380 nan 0.000 0.563 386 T N 1.692 116.168 114.554 -0.130 0.000 2.901 386 T HA 0.180 4.531 4.350 0.001 0.000 0.301 386 T C 0.656 175.273 174.700 -0.140 0.000 1.012 386 T CA -0.041 61.972 62.100 -0.145 0.000 1.135 386 T CB 1.368 70.138 68.868 -0.163 0.000 0.936 386 T HN 0.017 nan 8.240 nan 0.000 0.539 387 E N 1.375 121.483 120.200 -0.154 0.000 2.331 387 E HA 0.449 4.800 4.350 0.001 0.000 0.272 387 E C -0.786 175.689 176.600 -0.208 0.000 1.036 387 E CA -0.550 55.769 56.400 -0.135 0.000 0.864 387 E CB 0.957 30.581 29.700 -0.126 0.000 1.035 387 E HN 0.268 nan 8.360 nan 0.000 0.408 388 V N 3.823 123.677 119.914 -0.099 0.000 2.686 388 V HA 0.315 4.436 4.120 0.001 0.000 0.306 388 V C -0.793 175.345 176.094 0.074 0.000 1.065 388 V CA -0.814 61.414 62.300 -0.119 0.000 0.894 388 V CB 1.147 32.977 31.823 0.011 0.000 1.004 388 V HN 0.587 nan 8.190 nan 0.000 0.424 389 F N 5.068 124.929 119.950 -0.148 0.000 2.391 389 F HA 0.437 4.965 4.527 0.001 0.000 0.359 389 F C -2.216 173.479 175.800 -0.175 0.000 1.122 389 F CA -2.396 55.528 58.000 -0.126 0.000 1.120 389 F CB 2.054 40.982 39.000 -0.120 0.000 1.142 389 F HN 0.290 nan 8.300 nan 0.000 0.483 390 P HA 0.106 nan 4.420 nan 0.000 0.258 390 P C -0.242 177.048 177.300 -0.016 0.000 1.647 390 P CA -0.225 62.825 63.100 -0.084 0.000 1.099 390 P CB 0.864 32.456 31.700 -0.181 0.000 1.604 391 V N 5.565 125.490 119.914 0.018 0.000 2.266 391 V HA -0.042 4.078 4.120 0.001 0.000 0.240 391 V C 2.126 178.218 176.094 -0.003 0.000 1.225 391 V CA 0.392 62.732 62.300 0.067 0.000 1.237 391 V CB -1.093 30.809 31.823 0.131 0.000 1.343 391 V HN 0.527 nan 8.190 nan 0.000 0.496 392 L N 2.340 123.539 121.223 -0.039 0.000 2.103 392 L HA -0.256 4.085 4.340 0.001 0.000 0.215 392 L C 2.615 179.463 176.870 -0.038 0.000 1.080 392 L CA 2.069 56.870 54.840 -0.065 0.000 0.764 392 L CB -0.584 41.415 42.059 -0.100 0.000 0.890 392 L HN 0.739 nan 8.230 nan 0.000 0.435 393 S N -0.039 115.636 115.700 -0.041 0.000 2.383 393 S HA -0.201 4.270 4.470 0.001 0.000 0.229 393 S C 2.189 176.891 174.600 0.169 0.000 1.030 393 S CA 1.710 59.944 58.200 0.057 0.000 1.002 393 S CB -0.242 62.911 63.200 -0.077 0.000 0.829 393 S HN 0.645 nan 8.310 nan 0.000 0.467 394 S N 0.837 116.591 115.700 0.090 0.000 2.469 394 S HA 0.172 4.643 4.470 0.001 0.000 0.238 394 S C 1.832 176.507 174.600 0.124 0.000 0.998 394 S CA 0.842 59.113 58.200 0.119 0.000 0.957 394 S CB -0.518 62.744 63.200 0.104 0.000 0.764 394 S HN 0.698 nan 8.310 nan 0.000 0.514 395 A N 1.707 124.576 122.820 0.081 0.000 1.924 395 A HA 0.449 4.769 4.320 0.001 0.000 0.211 395 A C 2.111 179.788 177.584 0.156 0.000 1.198 395 A CA 0.356 52.426 52.037 0.056 0.000 0.657 395 A CB -0.577 18.406 19.000 -0.029 0.000 0.852 395 A HN 0.462 nan 8.150 nan 0.000 0.454 396 L N -0.797 120.471 121.223 0.074 0.000 2.362 396 L HA -0.120 4.221 4.340 0.001 0.000 0.219 396 L C 1.193 177.867 176.870 -0.326 0.000 1.134 396 L CA 0.991 55.777 54.840 -0.090 0.000 0.807 396 L CB -0.390 41.510 42.059 -0.266 0.000 0.927 396 L HN 0.516 nan 8.230 nan 0.000 0.447 397 H N -2.478 116.627 119.070 0.059 0.000 2.581 397 H HA 0.138 4.695 4.556 0.001 0.000 0.275 397 H C -0.249 175.201 175.328 0.204 0.000 1.126 397 H CA -0.609 55.485 56.048 0.076 0.000 1.097 397 H CB 0.078 29.857 29.762 0.030 0.000 1.626 397 H HN -0.013 nan 8.280 nan 0.000 0.565 398 D N 1.637 122.262 120.400 0.376 0.000 2.358 398 D HA 0.008 4.648 4.640 0.001 0.000 0.258 398 D C -1.531 174.942 176.300 0.288 0.000 1.223 398 D CA -2.238 51.935 54.000 0.289 0.000 0.886 398 D CB 1.398 42.327 40.800 0.214 0.000 1.120 398 D HN 0.092 nan 8.370 nan 0.000 0.482 399 P HA -0.127 nan 4.420 nan 0.000 0.216 399 P C 0.974 178.307 177.300 0.055 0.000 1.150 399 P CA 1.154 64.336 63.100 0.137 0.000 0.843 399 P CB 0.178 31.944 31.700 0.110 0.000 0.787 400 R N -2.459 118.076 120.500 0.058 0.000 2.341 400 R HA -0.093 4.248 4.340 0.001 0.000 0.213 400 R C 0.912 176.937 176.300 -0.458 0.000 1.082 400 R CA 1.056 57.078 56.100 -0.131 0.000 1.017 400 R CB -0.348 29.905 30.300 -0.078 0.000 0.860 400 R HN 0.378 nan 8.270 nan 0.000 0.473 401 Y N -2.709 117.420 120.300 -0.286 0.000 2.476 401 Y HA 0.255 4.806 4.550 0.001 0.000 0.261 401 Y C -0.331 174.979 175.900 -0.984 0.000 1.077 401 Y CA -0.510 57.209 58.100 -0.636 0.000 1.240 401 Y CB 0.923 38.888 38.460 -0.826 0.000 1.317 401 Y HN -0.182 nan 8.280 nan 0.000 0.540 402 F N 0.378 120.266 119.950 -0.102 0.000 2.577 402 F HA 0.311 4.839 4.527 0.001 0.000 0.344 402 F C 0.883 176.657 175.800 -0.044 0.000 1.145 402 F CA -1.058 56.732 58.000 -0.349 0.000 0.996 402 F CB 1.423 40.020 39.000 -0.673 0.000 1.248 402 F HN -0.112 nan 8.300 nan 0.000 0.447 403 E N 0.643 121.009 120.200 0.276 0.000 2.164 403 E HA -0.211 4.139 4.350 0.001 0.000 0.206 403 E C 0.699 177.468 176.600 0.282 0.000 1.032 403 E CA 1.938 58.483 56.400 0.241 0.000 0.832 403 E CB -0.044 29.774 29.700 0.196 0.000 0.742 403 E HN 0.545 nan 8.360 nan 0.000 0.460 404 T N -2.871 111.984 114.554 0.501 0.000 3.305 404 T HA 0.287 4.638 4.350 0.001 0.000 0.348 404 T C -2.597 172.307 174.700 0.341 0.000 1.394 404 T CA -1.729 60.564 62.100 0.322 0.000 1.549 404 T CB 1.326 70.311 68.868 0.194 0.000 0.962 404 T HN -0.212 nan 8.240 nan 0.000 0.609 405 P HA -0.064 nan 4.420 nan 0.000 0.220 405 P C 0.584 178.013 177.300 0.216 0.000 1.144 405 P CA 1.122 64.337 63.100 0.191 0.000 0.800 405 P CB -0.054 31.788 31.700 0.236 0.000 0.772 406 N N -2.967 115.867 118.700 0.222 0.000 2.184 406 N HA 0.061 4.802 4.740 0.001 0.000 0.206 406 N C -0.356 175.269 175.510 0.193 0.000 1.151 406 N CA 0.170 53.349 53.050 0.216 0.000 0.878 406 N CB 0.381 38.970 38.487 0.170 0.000 1.014 406 N HN 0.003 nan 8.380 nan 0.000 0.512 407 T N -0.177 114.488 114.554 0.185 0.000 2.888 407 T HA 0.274 4.625 4.350 0.001 0.000 0.284 407 T C -0.605 174.177 174.700 0.136 0.000 1.017 407 T CA -0.723 61.483 62.100 0.176 0.000 1.022 407 T CB 1.418 70.380 68.868 0.158 0.000 1.013 407 T HN 0.026 nan 8.240 nan 0.000 0.465 408 F N 3.525 123.448 119.950 -0.044 0.000 2.571 408 F HA 0.324 4.852 4.527 0.001 0.000 0.384 408 F C 0.494 176.197 175.800 -0.163 0.000 1.058 408 F CA 0.147 58.048 58.000 -0.165 0.000 1.200 408 F CB 0.184 38.899 39.000 -0.475 0.000 1.077 408 F HN 0.530 nan 8.300 nan 0.000 0.558 409 N N 8.006 126.223 118.700 -0.806 0.000 2.827 409 N HA 0.295 5.035 4.740 0.001 0.000 0.240 409 N C -2.514 172.608 175.510 -0.648 0.000 1.352 409 N CA -1.870 50.777 53.050 -0.671 0.000 0.760 409 N CB 1.310 39.402 38.487 -0.659 0.000 1.426 409 N HN 0.128 nan 8.380 nan 0.000 0.561 410 P HA -0.004 nan 4.420 nan 0.000 0.223 410 P C 1.278 178.524 177.300 -0.090 0.000 1.144 410 P CA 1.019 63.922 63.100 -0.330 0.000 0.783 410 P CB 0.155 31.601 31.700 -0.423 0.000 0.771 411 G N -1.161 107.561 108.800 -0.129 0.000 2.448 411 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 411 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 411 G C 1.144 176.051 174.900 0.012 0.000 1.127 411 G CA 0.578 45.651 45.100 -0.045 0.000 0.766 411 G HN 0.359 nan 8.290 nan 0.000 0.552 412 H N -0.749 118.340 119.070 0.032 0.000 2.357 412 H HA -0.102 4.455 4.556 0.001 0.000 0.296 412 H C 1.066 176.212 175.328 -0.303 0.000 1.108 412 H CA 1.243 57.253 56.048 -0.065 0.000 1.273 412 H CB -0.122 29.679 29.762 0.065 0.000 1.367 412 H HN 0.492 nan 8.280 nan 0.000 0.498 413 F N 0.199 120.181 119.950 0.053 0.000 2.708 413 F HA 0.312 4.840 4.527 0.001 0.000 0.300 413 F C -0.500 175.245 175.800 -0.092 0.000 1.118 413 F CA -0.221 57.743 58.000 -0.060 0.000 1.307 413 F CB 0.616 39.495 39.000 -0.202 0.000 0.986 413 F HN -0.106 nan 8.300 nan 0.000 0.522 414 L N 0.097 121.357 121.223 0.062 0.000 2.422 414 L HA 0.425 4.766 4.340 0.001 0.000 0.264 414 L C -0.565 176.313 176.870 0.014 0.000 0.984 414 L CA -1.197 53.664 54.840 0.036 0.000 0.819 414 L CB 1.808 43.899 42.059 0.053 0.000 1.330 414 L HN -0.048 nan 8.230 nan 0.000 0.410 415 D N 1.484 121.890 120.400 0.009 0.000 2.478 415 D HA 0.343 4.984 4.640 0.001 0.000 0.274 415 D C 1.021 177.326 176.300 0.008 0.000 1.234 415 D CA -0.048 53.952 54.000 0.000 0.000 1.069 415 D CB 0.673 41.470 40.800 -0.005 0.000 1.113 415 D HN 0.487 nan 8.370 nan 0.000 0.571 416 A N -0.133 122.689 122.820 0.003 0.000 1.877 416 A HA -0.223 4.098 4.320 0.001 0.000 0.216 416 A C 1.816 179.407 177.584 0.011 0.000 1.186 416 A CA 1.481 53.522 52.037 0.006 0.000 0.620 416 A CB -0.950 18.051 19.000 0.001 0.000 0.822 416 A HN 0.595 nan 8.150 nan 0.000 0.443 417 N N -0.618 118.087 118.700 0.009 0.000 2.453 417 N HA 0.011 4.751 4.740 0.001 0.000 0.183 417 N C 1.174 176.695 175.510 0.018 0.000 1.041 417 N CA 1.304 54.360 53.050 0.011 0.000 0.900 417 N CB -0.153 38.338 38.487 0.007 0.000 0.961 417 N HN 0.801 nan 8.380 nan 0.000 0.443 418 G N -0.540 108.274 108.800 0.025 0.000 2.130 418 G HA2 -0.147 3.814 3.960 0.001 0.000 0.216 418 G HA3 -0.147 3.814 3.960 0.001 0.000 0.216 418 G C 0.075 174.999 174.900 0.040 0.000 0.999 418 G CA 0.148 45.273 45.100 0.042 0.000 0.686 418 G HN 0.650 nan 8.290 nan 0.000 0.515 419 A N -0.340 122.493 122.820 0.022 0.000 2.269 419 A HA 0.835 5.156 4.320 0.001 0.000 0.319 419 A C 0.491 178.076 177.584 0.001 0.000 1.110 419 A CA -0.614 51.430 52.037 0.011 0.000 0.847 419 A CB 0.915 19.916 19.000 0.003 0.000 1.161 419 A HN 1.254 nan 8.150 nan 0.000 0.497 420 L N 1.160 122.372 121.223 -0.019 0.000 2.540 420 L HA 0.204 4.545 4.340 0.001 0.000 0.276 420 L C 0.651 177.509 176.870 -0.020 0.000 1.212 420 L CA 1.006 55.820 54.840 -0.043 0.000 0.893 420 L CB -0.166 41.840 42.059 -0.089 0.000 1.138 420 L HN 0.757 nan 8.230 nan 0.000 0.491 421 K N 3.749 124.145 120.400 -0.006 0.000 2.324 421 K HA 0.815 5.136 4.320 0.001 0.000 0.253 421 K C -0.418 176.186 176.600 0.006 0.000 0.932 421 K CA -0.828 55.454 56.287 -0.007 0.000 0.799 421 K CB 1.045 33.532 32.500 -0.023 0.000 1.154 421 K HN 0.551 nan 8.250 nan 0.000 0.425 422 R N 2.290 122.799 120.500 0.014 0.000 2.537 422 R HA 0.081 4.422 4.340 0.001 0.000 0.280 422 R C -0.455 175.845 176.300 0.001 0.000 1.058 422 R CA -0.148 55.981 56.100 0.048 0.000 1.057 422 R CB -0.362 29.970 30.300 0.054 0.000 0.973 422 R HN 0.833 nan 8.270 nan 0.000 0.438 423 N N 1.455 120.166 118.700 0.018 0.000 2.442 423 N HA 0.105 4.846 4.740 0.001 0.000 0.274 423 N C -0.070 175.462 175.510 0.036 0.000 1.002 423 N CA -0.590 52.408 53.050 -0.087 0.000 0.910 423 N CB 1.743 39.978 38.487 -0.421 0.000 1.244 423 N HN 0.645 nan 8.380 nan 0.000 0.492 424 E N 2.075 122.294 120.200 0.031 0.000 2.204 424 E HA -0.077 4.274 4.350 0.001 0.000 0.195 424 E C 1.325 177.782 176.600 -0.238 0.000 0.990 424 E CA 0.798 57.163 56.400 -0.057 0.000 0.821 424 E CB 0.018 29.709 29.700 -0.014 0.000 0.750 424 E HN 0.789 nan 8.360 nan 0.000 0.477 425 G N 0.545 109.096 108.800 -0.416 0.000 2.559 425 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 425 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 425 G C 0.373 175.405 174.900 0.220 0.000 1.126 425 G CA -0.354 44.576 45.100 -0.284 0.000 0.778 425 G HN 0.129 nan 8.290 nan 0.000 0.543 426 F N 2.550 122.621 119.950 0.201 0.000 2.494 426 F HA 0.451 4.979 4.527 0.001 0.000 0.351 426 F C 0.966 176.851 175.800 0.143 0.000 1.205 426 F CA -1.193 56.985 58.000 0.298 0.000 1.125 426 F CB 0.349 39.641 39.000 0.487 0.000 1.268 426 F HN 0.108 nan 8.300 nan 0.000 0.593 427 M N 6.562 126.031 119.600 -0.219 0.000 3.320 427 M HA 0.338 4.819 4.480 0.001 0.000 0.414 427 M C -2.443 173.671 176.300 -0.311 0.000 1.553 427 M CA -1.234 53.930 55.300 -0.227 0.000 0.742 427 M CB 0.595 33.132 32.600 -0.105 0.000 1.434 427 M HN 0.088 nan 8.290 nan 0.000 0.505 428 P HA -0.027 nan 4.420 nan 0.000 0.228 428 P C 0.382 177.347 177.300 -0.559 0.000 1.151 428 P CA 1.142 63.903 63.100 -0.566 0.000 0.770 428 P CB -0.153 31.065 31.700 -0.803 0.000 0.786 429 F N -1.146 118.664 119.950 -0.234 0.000 2.678 429 F HA 0.289 4.817 4.527 0.001 0.000 0.305 429 F C 1.287 177.041 175.800 -0.077 0.000 1.090 429 F CA 0.032 57.957 58.000 -0.125 0.000 1.272 429 F CB 0.095 39.034 39.000 -0.101 0.000 1.060 429 F HN -0.148 nan 8.300 nan 0.000 0.576 430 S N -0.035 115.677 115.700 0.021 0.000 3.953 430 S HA -0.060 4.411 4.470 0.001 0.000 0.640 430 S C -1.043 173.576 174.600 0.032 0.000 1.705 430 S CA -0.266 57.938 58.200 0.007 0.000 1.870 430 S CB -0.791 62.438 63.200 0.048 0.000 0.327 430 S HN 0.191 nan 8.310 nan 0.000 1.793 431 L N 0.443 121.679 121.223 0.021 0.000 2.568 431 L HA 0.764 5.105 4.340 0.001 0.000 0.257 431 L C 0.593 177.493 176.870 0.051 0.000 1.024 431 L CA -0.230 54.630 54.840 0.033 0.000 0.854 431 L CB 1.422 43.482 42.059 0.002 0.000 1.460 431 L HN 1.888 nan 8.230 nan 0.000 0.409 432 G N 0.437 109.279 108.800 0.069 0.000 2.587 432 G HA2 -0.220 3.741 3.960 0.001 0.000 0.212 432 G HA3 -0.220 3.741 3.960 0.001 0.000 0.212 432 G C 0.141 175.126 174.900 0.143 0.000 1.327 432 G CA 0.284 45.441 45.100 0.095 0.000 0.898 432 G HN 0.840 nan 8.290 nan 0.000 0.551 433 K N -0.010 120.490 120.400 0.166 0.000 2.160 433 K HA -0.056 4.265 4.320 0.001 0.000 0.206 433 K C 2.151 178.927 176.600 0.294 0.000 1.047 433 K CA 1.817 58.231 56.287 0.212 0.000 0.930 433 K CB -0.123 32.481 32.500 0.172 0.000 0.720 433 K HN 0.389 nan 8.250 nan 0.000 0.450 434 R N 0.374 121.036 120.500 0.270 0.000 2.509 434 R HA 0.244 4.585 4.340 0.001 0.000 0.300 434 R C 0.234 176.696 176.300 0.270 0.000 0.985 434 R CA -0.351 55.935 56.100 0.310 0.000 1.092 434 R CB 0.249 30.697 30.300 0.248 0.000 1.237 434 R HN 0.225 nan 8.270 nan 0.000 0.546 435 I N 0.924 121.619 120.570 0.208 0.000 2.993 435 I HA -0.179 3.992 4.170 0.001 0.000 0.301 435 I C 0.602 176.815 176.117 0.161 0.000 1.229 435 I CA 0.154 61.550 61.300 0.161 0.000 1.435 435 I CB 0.500 38.565 38.000 0.108 0.000 1.328 435 I HN 0.243 nan 8.210 nan 0.000 0.584 436 C N 7.656 127.062 119.300 0.177 0.000 2.334 436 C HA -0.103 4.358 4.460 0.001 0.000 0.395 436 C C 1.632 176.680 174.990 0.096 0.000 1.507 436 C CA 0.106 59.233 59.018 0.181 0.000 1.494 436 C CB -0.824 27.108 27.740 0.320 0.000 2.509 436 C HN 0.867 nan 8.230 nan 0.000 0.599 437 L N 5.705 126.997 121.223 0.114 0.000 2.291 437 L HA 0.213 4.553 4.340 0.001 0.000 0.214 437 L C 2.166 179.046 176.870 0.016 0.000 1.120 437 L CA 2.207 57.087 54.840 0.068 0.000 0.799 437 L CB -0.331 41.803 42.059 0.126 0.000 0.925 437 L HN 0.904 nan 8.230 nan 0.000 0.446 438 G N -1.602 107.215 108.800 0.028 0.000 3.042 438 G HA2 -0.097 3.864 3.960 0.001 0.000 0.212 438 G HA3 -0.097 3.864 3.960 0.001 0.000 0.212 438 G C 1.242 176.086 174.900 -0.093 0.000 1.166 438 G CA 0.307 45.385 45.100 -0.037 0.000 0.767 438 G HN 0.477 nan 8.290 nan 0.000 0.546 439 E N 0.683 120.770 120.200 -0.190 0.000 2.086 439 E HA -0.144 4.207 4.350 0.001 0.000 0.200 439 E C 2.512 178.868 176.600 -0.408 0.000 1.012 439 E CA 1.385 57.438 56.400 -0.578 0.000 0.812 439 E CB -0.444 28.807 29.700 -0.747 0.000 0.743 439 E HN 0.295 nan 8.360 nan 0.000 0.453 440 G N 1.443 110.091 108.800 -0.253 0.000 2.511 440 G HA2 -0.274 3.687 3.960 0.001 0.000 0.216 440 G HA3 -0.274 3.687 3.960 0.001 0.000 0.216 440 G C 1.621 176.434 174.900 -0.144 0.000 1.218 440 G CA 1.398 46.387 45.100 -0.185 0.000 0.788 440 G HN 0.306 nan 8.290 nan 0.000 0.560 441 I N 1.646 122.137 120.570 -0.132 0.000 2.091 441 I HA -0.236 3.935 4.170 0.001 0.000 0.239 441 I C 3.367 179.443 176.117 -0.068 0.000 1.061 441 I CA 1.271 62.506 61.300 -0.109 0.000 1.317 441 I CB -0.617 37.302 38.000 -0.136 0.000 1.031 441 I HN 0.254 nan 8.210 nan 0.000 0.401 442 A N 1.193 123.991 122.820 -0.037 0.000 1.884 442 A HA -0.251 4.070 4.320 0.001 0.000 0.219 442 A C 2.440 180.064 177.584 0.066 0.000 1.197 442 A CA 2.011 54.079 52.037 0.053 0.000 0.637 442 A CB -0.755 18.349 19.000 0.173 0.000 0.827 442 A HN 0.381 nan 8.150 nan 0.000 0.450 443 R N -1.268 119.242 120.500 0.016 0.000 2.115 443 R HA -0.065 4.276 4.340 0.001 0.000 0.230 443 R C 2.157 178.484 176.300 0.045 0.000 1.111 443 R CA 1.608 57.735 56.100 0.045 0.000 0.976 443 R CB -0.697 29.579 30.300 -0.041 0.000 0.870 443 R HN 0.555 nan 8.270 nan 0.000 0.445 444 T N 1.006 115.554 114.554 -0.009 0.000 2.857 444 T HA -0.087 4.263 4.350 0.001 0.000 0.266 444 T C 1.550 176.224 174.700 -0.042 0.000 1.048 444 T CA 0.990 63.084 62.100 -0.011 0.000 1.139 444 T CB -0.021 68.810 68.868 -0.062 0.000 0.874 444 T HN 0.333 nan 8.240 nan 0.000 0.455 445 E N 0.769 120.924 120.200 -0.075 0.000 2.118 445 E HA -0.094 4.257 4.350 0.001 0.000 0.195 445 E C 2.156 178.766 176.600 0.016 0.000 0.992 445 E CA 0.918 57.229 56.400 -0.148 0.000 0.804 445 E CB -0.248 29.492 29.700 0.068 0.000 0.741 445 E HN 0.445 nan 8.360 nan 0.000 0.458 446 L N -0.286 120.999 121.223 0.103 0.000 2.109 446 L HA -0.115 4.226 4.340 0.001 0.000 0.207 446 L C 2.375 179.319 176.870 0.123 0.000 1.086 446 L CA 0.759 55.679 54.840 0.133 0.000 0.760 446 L CB -0.307 41.829 42.059 0.128 0.000 0.910 446 L HN 0.127 nan 8.230 nan 0.000 0.437 447 F N 0.444 120.388 119.950 -0.009 0.000 2.128 447 F HA -0.145 4.382 4.527 0.001 0.000 0.295 447 F C 2.217 178.011 175.800 -0.011 0.000 1.100 447 F CA 1.330 59.325 58.000 -0.009 0.000 1.260 447 F CB 0.050 39.040 39.000 -0.016 0.000 1.009 447 F HN -0.167 nan 8.300 nan 0.000 0.476 448 L N -0.797 120.372 121.223 -0.090 0.000 2.005 448 L HA -0.208 4.132 4.340 0.001 0.000 0.207 448 L C 2.520 179.315 176.870 -0.125 0.000 1.072 448 L CA 1.191 55.910 54.840 -0.203 0.000 0.744 448 L CB -0.997 40.947 42.059 -0.191 0.000 0.895 448 L HN 0.124 nan 8.230 nan 0.000 0.433 449 F N -0.143 119.766 119.950 -0.069 0.000 2.095 449 F HA -0.267 4.261 4.527 0.001 0.000 0.298 449 F C 2.884 178.650 175.800 -0.057 0.000 1.104 449 F CA 1.586 59.546 58.000 -0.067 0.000 1.232 449 F CB -1.539 37.396 39.000 -0.109 0.000 0.987 449 F HN 0.063 nan 8.300 nan 0.000 0.475 450 F N 0.737 120.739 119.950 0.086 0.000 2.046 450 F HA -0.265 4.263 4.527 0.001 0.000 0.297 450 F C 2.647 178.425 175.800 -0.036 0.000 1.123 450 F CA 2.673 60.654 58.000 -0.031 0.000 1.199 450 F CB -1.678 37.236 39.000 -0.142 0.000 0.972 450 F HN 0.137 nan 8.300 nan 0.000 0.474 451 T N -2.933 111.497 114.554 -0.207 0.000 2.701 451 T HA -0.196 4.155 4.350 0.001 0.000 0.263 451 T C 1.727 176.397 174.700 -0.050 0.000 1.040 451 T CA 1.987 63.962 62.100 -0.208 0.000 1.147 451 T CB -1.634 66.943 68.868 -0.486 0.000 0.865 451 T HN 0.444 nan 8.240 nan 0.000 0.426 452 T N 2.323 116.861 114.554 -0.027 0.000 2.665 452 T HA -0.048 4.303 4.350 0.001 0.000 0.268 452 T C 1.913 176.716 174.700 0.173 0.000 1.035 452 T CA 1.570 63.713 62.100 0.071 0.000 1.151 452 T CB -0.576 68.356 68.868 0.108 0.000 0.862 452 T HN 0.368 nan 8.240 nan 0.000 0.438 453 I N 0.647 121.352 120.570 0.225 0.000 2.099 453 I HA -0.151 4.020 4.170 0.001 0.000 0.239 453 I C 2.294 178.623 176.117 0.355 0.000 1.066 453 I CA 1.418 62.911 61.300 0.322 0.000 1.324 453 I CB -0.419 37.789 38.000 0.347 0.000 1.037 453 I HN 0.218 nan 8.210 nan 0.000 0.401 454 L N 0.393 121.781 121.223 0.274 0.000 2.353 454 L HA -0.229 4.112 4.340 0.001 0.000 0.220 454 L C 2.538 179.493 176.870 0.142 0.000 1.133 454 L CA 1.051 56.022 54.840 0.218 0.000 0.798 454 L CB -0.563 41.585 42.059 0.149 0.000 0.922 454 L HN 0.486 nan 8.230 nan 0.000 0.445 455 Q N 0.332 120.200 119.800 0.113 0.000 2.096 455 Q HA -0.128 4.213 4.340 0.001 0.000 0.197 455 Q C 1.588 177.593 176.000 0.009 0.000 0.964 455 Q CA 1.192 57.022 55.803 0.045 0.000 0.838 455 Q CB 0.229 28.980 28.738 0.022 0.000 0.906 455 Q HN 0.556 nan 8.270 nan 0.000 0.444 456 N N -1.197 117.522 118.700 0.032 0.000 2.356 456 N HA 0.117 4.858 4.740 0.001 0.000 0.178 456 N C -0.554 174.624 175.510 -0.554 0.000 1.075 456 N CA 0.277 53.177 53.050 -0.249 0.000 0.889 456 N CB 0.642 38.950 38.487 -0.299 0.000 0.999 456 N HN 0.060 nan 8.380 nan 0.000 0.464 457 F N -0.557 119.415 119.950 0.037 0.000 2.640 457 F HA 0.428 4.956 4.527 0.001 0.000 0.324 457 F C 0.296 176.121 175.800 0.041 0.000 1.077 457 F CA -0.961 57.057 58.000 0.030 0.000 0.965 457 F CB 1.711 40.722 39.000 0.018 0.000 1.351 457 F HN -0.370 nan 8.300 nan 0.000 0.487 458 S N 0.619 116.457 115.700 0.229 0.000 2.689 458 S HA 0.870 5.341 4.470 0.001 0.000 0.306 458 S C -1.014 173.667 174.600 0.135 0.000 1.104 458 S CA -0.642 57.650 58.200 0.154 0.000 0.973 458 S CB 1.213 64.469 63.200 0.094 0.000 1.121 458 S HN 0.508 nan 8.310 nan 0.000 0.523 459 I N -0.018 120.610 120.570 0.097 0.000 2.689 459 I HA 0.983 5.154 4.170 0.001 0.000 0.299 459 I C -0.574 175.561 176.117 0.029 0.000 1.059 459 I CA -1.094 60.239 61.300 0.054 0.000 1.055 459 I CB 1.866 39.905 38.000 0.065 0.000 1.243 459 I HN 0.668 nan 8.210 nan 0.000 0.425 460 A N 2.983 125.805 122.820 0.004 0.000 2.594 460 A HA 0.909 5.230 4.320 0.001 0.000 0.291 460 A C -0.774 176.795 177.584 -0.024 0.000 1.105 460 A CA -0.178 51.855 52.037 -0.008 0.000 0.694 460 A CB 1.833 20.833 19.000 0.001 0.000 1.291 460 A HN 1.133 nan 8.150 nan 0.000 0.410 461 S N 0.237 115.918 115.700 -0.032 0.000 2.607 461 S HA 0.778 5.249 4.470 0.001 0.000 0.273 461 S C -2.301 172.280 174.600 -0.030 0.000 1.148 461 S CA -0.748 57.431 58.200 -0.036 0.000 0.833 461 S CB 1.032 64.194 63.200 -0.063 0.000 1.130 461 S HN 0.344 nan 8.310 nan 0.000 0.470 462 P HA 0.002 nan 4.420 nan 0.000 0.212 462 P C 0.021 177.303 177.300 -0.029 0.000 1.178 462 P CA 0.770 63.857 63.100 -0.022 0.000 0.915 462 P CB -0.450 31.240 31.700 -0.016 0.000 0.788 463 V N 2.051 121.943 119.914 -0.036 0.000 2.557 463 V HA 0.030 4.151 4.120 0.001 0.000 0.301 463 V C -2.058 174.003 176.094 -0.055 0.000 1.026 463 V CA -1.052 61.221 62.300 -0.045 0.000 1.137 463 V CB -0.531 31.261 31.823 -0.052 0.000 0.917 463 V HN 0.106 nan 8.190 nan 0.000 0.484 464 P HA 0.215 nan 4.420 nan 0.000 0.271 464 P C -2.024 175.230 177.300 -0.077 0.000 1.216 464 P CA -1.522 61.545 63.100 -0.055 0.000 0.776 464 P CB 0.265 31.938 31.700 -0.045 0.000 0.881 465 P HA -0.295 nan 4.420 nan 0.000 0.217 465 P C 1.607 178.814 177.300 -0.154 0.000 1.158 465 P CA 2.474 65.492 63.100 -0.137 0.000 0.887 465 P CB -0.520 31.101 31.700 -0.132 0.000 0.792 466 E N -0.126 120.003 120.200 -0.118 0.000 2.219 466 E HA -0.241 4.110 4.350 0.001 0.000 0.198 466 E C 1.365 177.914 176.600 -0.084 0.000 0.998 466 E CA 1.795 58.133 56.400 -0.103 0.000 0.818 466 E CB -1.431 28.228 29.700 -0.069 0.000 0.741 466 E HN 0.363 nan 8.360 nan 0.000 0.477 467 D N -0.773 119.581 120.400 -0.077 0.000 2.402 467 D HA 0.169 4.809 4.640 0.001 0.000 0.216 467 D C -0.099 176.165 176.300 -0.060 0.000 1.128 467 D CA -0.278 53.688 54.000 -0.056 0.000 0.833 467 D CB 0.228 41.002 40.800 -0.044 0.000 0.971 467 D HN 0.360 nan 8.370 nan 0.000 0.503 468 I N 1.713 122.232 120.570 -0.084 0.000 2.352 468 I HA 0.140 4.311 4.170 0.001 0.000 0.290 468 I C 0.651 176.737 176.117 -0.052 0.000 1.036 468 I CA -0.274 60.975 61.300 -0.086 0.000 1.336 468 I CB 0.275 38.197 38.000 -0.130 0.000 1.407 468 I HN -0.078 nan 8.210 nan 0.000 0.497 469 D N 5.593 125.976 120.400 -0.029 0.000 2.359 469 D HA 0.540 5.181 4.640 0.001 0.000 0.230 469 D C 0.959 177.272 176.300 0.021 0.000 1.118 469 D CA -0.135 53.868 54.000 0.005 0.000 0.844 469 D CB 1.548 42.356 40.800 0.013 0.000 1.059 469 D HN 0.583 nan 8.370 nan 0.000 0.493 470 L N 1.643 122.894 121.223 0.046 0.000 2.492 470 L HA 0.313 4.653 4.340 0.001 0.000 0.223 470 L C 2.032 178.986 176.870 0.140 0.000 1.132 470 L CA 1.203 56.088 54.840 0.074 0.000 0.850 470 L CB -1.468 40.654 42.059 0.105 0.000 0.966 470 L HN 0.728 nan 8.230 nan 0.000 0.454 471 T N -0.942 113.675 114.554 0.105 0.000 2.870 471 T HA 0.454 4.805 4.350 0.001 0.000 0.300 471 T C -1.534 173.221 174.700 0.091 0.000 0.989 471 T CA -1.065 61.094 62.100 0.098 0.000 1.139 471 T CB 0.389 69.299 68.868 0.069 0.000 0.920 471 T HN 0.513 nan 8.240 nan 0.000 0.537 481 P HA 0.401 nan 4.420 nan 0.000 0.271 481 P C -2.591 174.804 177.300 0.157 0.000 1.216 481 P CA -1.025 62.217 63.100 0.237 0.000 0.771 481 P CB -0.057 31.852 31.700 0.348 0.000 0.864 482 P HA 0.008 nan 4.420 nan 0.000 0.266 482 P C -0.320 177.046 177.300 0.110 0.000 1.193 482 P CA 0.360 63.528 63.100 0.113 0.000 0.770 482 P CB 0.265 32.034 31.700 0.115 0.000 0.836 483 S N 1.815 117.530 115.700 0.025 0.000 2.564 483 S HA 0.435 4.906 4.470 0.001 0.000 0.278 483 S C -0.166 174.436 174.600 0.003 0.000 1.333 483 S CA -0.024 58.131 58.200 -0.076 0.000 1.048 483 S CB -0.248 62.895 63.200 -0.097 0.000 0.900 483 S HN 0.529 nan 8.310 nan 0.000 0.505 484 Y N -0.383 119.873 120.300 -0.073 0.000 2.705 484 Y HA 0.632 5.183 4.550 0.001 0.000 0.332 484 Y C -1.188 174.653 175.900 -0.098 0.000 1.221 484 Y CA -1.415 56.641 58.100 -0.075 0.000 1.059 484 Y CB 1.000 39.420 38.460 -0.068 0.000 1.298 484 Y HN 0.415 nan 8.280 nan 0.000 0.459 485 Q N 2.242 122.206 119.800 0.273 0.000 2.337 485 Q HA 0.669 5.010 4.340 0.001 0.000 0.266 485 Q C -1.530 174.576 176.000 0.176 0.000 1.023 485 Q CA -0.982 54.898 55.803 0.128 0.000 0.829 485 Q CB 3.318 32.071 28.738 0.024 0.000 1.306 485 Q HN 0.757 nan 8.270 nan 0.000 0.449 486 I N -0.067 120.554 120.570 0.086 0.000 2.894 486 I HA 0.767 4.938 4.170 0.001 0.000 0.302 486 I C -1.536 174.551 176.117 -0.050 0.000 1.188 486 I CA -0.565 60.754 61.300 0.032 0.000 1.014 486 I CB 1.959 40.009 38.000 0.082 0.000 1.242 486 I HN 0.708 nan 8.210 nan 0.000 0.430 487 R N 4.701 125.169 120.500 -0.054 0.000 2.513 487 R HA 0.765 5.105 4.340 0.001 0.000 0.301 487 R C -1.243 175.021 176.300 -0.061 0.000 0.968 487 R CA 0.010 56.074 56.100 -0.058 0.000 0.872 487 R CB 0.797 31.080 30.300 -0.027 0.000 1.177 487 R HN 0.757 nan 8.270 nan 0.000 0.444 488 F N 2.852 122.746 119.950 -0.092 0.000 2.385 488 F HA 0.741 5.269 4.527 0.001 0.000 0.360 488 F C -0.083 175.793 175.800 0.126 0.000 1.122 488 F CA -1.480 56.470 58.000 -0.083 0.000 1.090 488 F CB 0.617 39.372 39.000 -0.408 0.000 1.150 488 F HN 0.583 nan 8.300 nan 0.000 0.472 489 L N 4.094 125.455 121.223 0.230 0.000 2.305 489 L HA 0.704 5.045 4.340 0.001 0.000 0.284 489 L C 0.619 177.636 176.870 0.244 0.000 1.013 489 L CA -1.093 53.876 54.840 0.216 0.000 0.819 489 L CB 1.304 43.425 42.059 0.105 0.000 1.227 489 L HN 0.894 nan 8.230 nan 0.000 0.417 490 A N 4.127 127.036 122.820 0.148 0.000 2.483 490 A HA 0.439 4.760 4.320 0.001 0.000 0.238 490 A C 0.315 177.828 177.584 -0.119 0.000 1.070 490 A CA 0.045 51.974 52.037 -0.180 0.000 0.770 490 A CB 0.291 19.168 19.000 -0.206 0.000 1.008 490 A HN 0.850 nan 8.150 nan 0.000 0.497 491 R N 0.000 120.387 120.500 -0.189 0.000 2.786 491 R HA 0.000 4.341 4.340 0.001 0.000 0.208 491 R CA 0.000 56.040 56.100 -0.100 0.000 0.921 491 R CB 0.000 30.248 30.300 -0.086 0.000 0.687 491 R HN 0.000 nan 8.270 nan 0.000 0.535