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 1wui_1_L DATA FIRST_RESID 19 DATA SEQUENCE SSYSGPIVVD PVTRIEGHLR IEVEVENGKV KNAYSSSTLF RGLEIILKGR DATA SEQUENCE DPRDAQHFTQ RTCGVXTYTH ALASTRCVDN AVGVHIPKNA TYIRNLVLGA DATA SEQUENCE QYLHDHIVHF YHLHALDFVD VTAALKADPA KAAKVASSIS PRKTTAADLK DATA SEQUENCE AVQDKLKTFV ETGQLGPFTN AYFLGGHPAY YLDPETNLIA TAHYLEALRL DATA SEQUENCE QVKAARAMAV FGAKNPHTQF TVVGGVTCYD ALTPQRIAEF EALWKETKAF DATA SEQUENCE VDEVYIPDLL VVAAAYKDWT QYGGTDNFIT FGEFPKDEYD LNSRFFKPGV DATA SEQUENCE VFKRDFKNIK PFDKMQIEEH VRHSWYEGAE ARHPWKGQTQ PKYTDLHGDD DATA SEQUENCE RYSWMKAPRY MGEPMETGPL AQVLIAYSQG HPKVKAVTDA VLAKLGVGPE DATA SEQUENCE ALFSTLGRTA ARGIETAVIA EYVGVMLQEY KDNIAKGDNV ICAPWEMPKQ DATA SEQUENCE AEGVGFVNAP RGGLSHWIRI EDGKIGNFQL VVPSTWTLGP RCDKNKLSPV DATA SEQUENCE EASLIGTPVA DAKRPVEILR TVHSFDPXIA CGVH 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.640 174.600 0.066 0.000 1.055 19 S CA 0.000 58.228 58.200 0.047 0.000 1.107 19 S CB 0.000 63.217 63.200 0.029 0.000 0.593 20 S N 1.111 116.854 115.700 0.072 0.000 2.594 20 S HA 0.650 5.120 4.470 0.000 0.000 0.322 20 S C -0.619 174.041 174.600 0.101 0.000 1.085 20 S CA -0.547 57.705 58.200 0.087 0.000 1.116 20 S CB 0.756 63.989 63.200 0.055 0.000 0.979 20 S HN 0.431 nan 8.310 nan 0.000 0.465 21 Y N 3.715 124.016 120.300 0.001 0.000 2.359 21 Y HA 0.537 5.087 4.550 0.000 0.000 0.330 21 Y C -0.192 175.708 175.900 0.000 0.000 1.143 21 Y CA 0.200 58.300 58.100 0.000 0.000 1.318 21 Y CB 0.938 39.398 38.460 0.000 0.000 1.234 21 Y HN 0.748 nan 8.280 nan 0.000 0.522 22 S N 3.746 119.017 115.700 -0.716 0.000 2.500 22 S HA 0.874 5.344 4.470 0.000 0.000 0.301 22 S C -0.269 173.710 174.600 -1.035 0.000 1.092 22 S CA -0.090 57.721 58.200 -0.649 0.000 1.030 22 S CB 1.371 64.389 63.200 -0.303 0.000 1.031 22 S HN 1.272 nan 8.310 nan 0.000 0.483 23 G N 2.944 111.373 108.800 -0.617 0.000 2.357 23 G HA2 0.219 4.180 3.960 0.000 0.000 0.289 23 G HA3 0.219 4.180 3.960 0.000 0.000 0.289 23 G C -3.626 171.302 174.900 0.047 0.000 1.302 23 G CA -0.877 44.040 45.100 -0.305 0.000 0.936 23 G HN 0.477 nan 8.290 nan 0.000 0.513 24 P HA 0.668 nan 4.420 nan 0.000 0.279 24 P C -0.592 176.860 177.300 0.253 0.000 1.252 24 P CA -0.305 62.897 63.100 0.170 0.000 0.811 24 P CB 1.395 33.156 31.700 0.102 0.000 1.035 25 I N 0.608 121.278 120.570 0.167 0.000 2.533 25 I HA 0.350 4.520 4.170 0.000 0.000 0.290 25 I C -0.513 175.660 176.117 0.095 0.000 1.056 25 I CA -1.151 60.210 61.300 0.102 0.000 1.057 25 I CB 2.529 40.565 38.000 0.060 0.000 1.240 25 I HN -0.023 nan 8.210 nan 0.000 0.423 26 V N 6.358 126.322 119.914 0.083 0.000 2.555 26 V HA 0.457 4.577 4.120 0.000 0.000 0.302 26 V C -0.362 175.789 176.094 0.095 0.000 1.038 26 V CA -0.692 61.665 62.300 0.095 0.000 0.887 26 V CB 2.365 34.244 31.823 0.093 0.000 0.991 26 V HN 0.411 nan 8.190 nan 0.000 0.434 27 V N 3.546 123.525 119.914 0.108 0.000 2.349 27 V HA 0.581 4.701 4.120 0.000 0.000 0.284 27 V C -0.885 175.281 176.094 0.121 0.000 1.014 27 V CA -0.268 62.102 62.300 0.118 0.000 0.826 27 V CB 1.400 33.296 31.823 0.121 0.000 1.009 27 V HN 0.928 nan 8.190 nan 0.000 0.431 28 D N 5.527 125.998 120.400 0.119 0.000 2.470 28 D HA 0.422 5.062 4.640 0.000 0.000 0.233 28 D C -2.449 173.919 176.300 0.114 0.000 1.372 28 D CA -0.642 53.433 54.000 0.126 0.000 0.994 28 D CB 2.502 43.378 40.800 0.127 0.000 1.377 28 D HN 0.417 nan 8.370 nan 0.000 0.586 29 P HA 0.335 nan 4.420 nan 0.000 0.282 29 P C -0.382 176.990 177.300 0.120 0.000 1.249 29 P CA -0.598 62.584 63.100 0.137 0.000 0.806 29 P CB 1.281 33.067 31.700 0.143 0.000 0.984 30 V N 3.150 123.140 119.914 0.125 0.000 2.421 30 V HA 0.105 4.225 4.120 0.000 0.000 0.271 30 V C 1.322 177.492 176.094 0.127 0.000 1.031 30 V CA 0.126 62.492 62.300 0.110 0.000 1.032 30 V CB -0.087 31.793 31.823 0.096 0.000 1.009 30 V HN 0.870 nan 8.190 nan 0.000 0.477 31 T N 2.529 117.159 114.554 0.126 0.000 2.862 31 T HA 0.525 4.875 4.350 0.000 0.000 0.276 31 T C 0.549 175.367 174.700 0.197 0.000 0.974 31 T CA -0.776 61.392 62.100 0.112 0.000 0.966 31 T CB 0.562 69.457 68.868 0.047 0.000 1.072 31 T HN 0.620 nan 8.240 nan 0.000 0.538 32 R N -0.087 120.459 120.500 0.077 0.000 3.422 32 R HA -0.134 4.206 4.340 0.000 0.000 0.267 32 R C -0.100 176.208 176.300 0.014 0.000 1.074 32 R CA 0.846 56.928 56.100 -0.030 0.000 0.718 32 R CB -2.181 27.988 30.300 -0.218 0.000 1.157 32 R HN 0.801 nan 8.270 nan 0.000 0.440 33 I N -4.667 115.969 120.570 0.111 0.000 3.264 33 I HA 0.540 4.710 4.170 0.000 0.000 0.315 33 I C -0.114 176.047 176.117 0.073 0.000 1.154 33 I CA -1.254 60.129 61.300 0.137 0.000 0.962 33 I CB 1.966 40.077 38.000 0.185 0.000 1.265 33 I HN -0.217 nan 8.210 nan 0.000 0.463 34 E N 1.881 122.128 120.200 0.079 0.000 2.289 34 E HA 0.534 4.884 4.350 0.000 0.000 0.278 34 E C 0.201 176.801 176.600 0.001 0.000 1.032 34 E CA 1.138 57.560 56.400 0.037 0.000 0.854 34 E CB 1.107 30.848 29.700 0.068 0.000 1.046 34 E HN 1.026 nan 8.360 nan 0.000 0.409 35 G N 4.022 112.751 108.800 -0.118 0.000 2.681 35 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 35 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 35 G C -0.989 173.736 174.900 -0.292 0.000 1.353 35 G CA -0.218 44.738 45.100 -0.239 0.000 0.872 35 G HN 0.760 nan 8.290 nan 0.000 0.557 36 H N -0.705 118.438 119.070 0.122 0.000 2.691 36 H HA 0.591 5.147 4.556 0.000 0.000 0.281 36 H C -0.043 175.382 175.328 0.162 0.000 1.121 36 H CA -0.517 55.610 56.048 0.133 0.000 1.254 36 H CB 1.341 31.180 29.762 0.128 0.000 1.390 36 H HN 0.539 nan 8.280 nan 0.000 0.491 37 L N 2.794 124.157 121.223 0.233 0.000 2.362 37 L HA 0.469 4.809 4.340 0.000 0.000 0.275 37 L C -0.651 176.334 176.870 0.191 0.000 0.998 37 L CA -0.720 54.243 54.840 0.204 0.000 0.820 37 L CB 1.506 43.660 42.059 0.159 0.000 1.270 37 L HN 0.532 nan 8.230 nan 0.000 0.415 38 R N 5.817 126.433 120.500 0.195 0.000 2.343 38 R HA 0.577 4.917 4.340 0.000 0.000 0.320 38 R C -1.506 174.891 176.300 0.161 0.000 0.956 38 R CA -0.647 55.558 56.100 0.176 0.000 0.836 38 R CB 0.879 31.295 30.300 0.194 0.000 1.151 38 R HN 0.611 nan 8.270 nan 0.000 0.450 39 I N 4.133 124.786 120.570 0.139 0.000 2.354 39 I HA 0.272 4.442 4.170 0.000 0.000 0.292 39 I C -0.241 175.957 176.117 0.134 0.000 0.989 39 I CA -0.482 60.896 61.300 0.130 0.000 1.188 39 I CB 1.819 39.882 38.000 0.104 0.000 1.342 39 I HN 0.700 nan 8.210 nan 0.000 0.457 40 E N 5.779 126.073 120.200 0.157 0.000 2.176 40 E HA 0.580 4.930 4.350 0.000 0.000 0.267 40 E C -0.878 175.826 176.600 0.173 0.000 0.893 40 E CA -0.664 55.838 56.400 0.169 0.000 0.761 40 E CB 2.836 32.654 29.700 0.197 0.000 1.133 40 E HN 0.442 nan 8.360 nan 0.000 0.409 41 V N -0.503 119.491 119.914 0.133 0.000 3.040 41 V HA 0.546 4.666 4.120 0.000 0.000 0.312 41 V C -0.647 175.510 176.094 0.105 0.000 1.115 41 V CA -1.028 61.334 62.300 0.103 0.000 0.998 41 V CB 2.047 33.917 31.823 0.079 0.000 1.042 41 V HN 0.597 nan 8.190 nan 0.000 0.433 42 E N 1.511 121.755 120.200 0.075 0.000 2.151 42 E HA 0.670 5.020 4.350 0.000 0.000 0.275 42 E C -1.261 175.368 176.600 0.047 0.000 0.936 42 E CA -0.679 55.754 56.400 0.055 0.000 0.777 42 E CB 2.263 31.980 29.700 0.029 0.000 1.108 42 E HN 0.642 nan 8.360 nan 0.000 0.401 43 V N 2.681 122.630 119.914 0.057 0.000 2.555 43 V HA 0.338 4.458 4.120 0.000 0.000 0.302 43 V C -0.287 175.791 176.094 -0.027 0.000 1.038 43 V CA -0.713 61.623 62.300 0.060 0.000 0.887 43 V CB 1.717 33.662 31.823 0.204 0.000 0.991 43 V HN 0.696 nan 8.190 nan 0.000 0.434 44 E N 3.762 123.950 120.200 -0.020 0.000 2.218 44 E HA 0.371 4.721 4.350 0.000 0.000 0.263 44 E C -0.385 176.200 176.600 -0.025 0.000 0.879 44 E CA -0.584 55.788 56.400 -0.046 0.000 0.762 44 E CB 0.728 30.406 29.700 -0.036 0.000 1.166 44 E HN 0.685 nan 8.360 nan 0.000 0.415 45 N N 3.445 122.122 118.700 -0.038 0.000 2.727 45 N HA -0.221 4.519 4.740 0.000 0.000 0.249 45 N C 0.541 176.063 175.510 0.021 0.000 1.048 45 N CA 1.502 54.546 53.050 -0.009 0.000 0.714 45 N CB -1.365 37.117 38.487 -0.009 0.000 0.959 45 N HN 0.993 nan 8.380 nan 0.000 0.544 46 G N -1.483 107.349 108.800 0.052 0.000 2.162 46 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 46 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 46 G C -0.042 174.885 174.900 0.045 0.000 0.976 46 G CA 0.967 46.113 45.100 0.076 0.000 0.655 46 G HN 0.544 nan 8.290 nan 0.000 0.533 47 K N -0.162 120.255 120.400 0.029 0.000 2.422 47 K HA 0.580 4.900 4.320 0.000 0.000 0.251 47 K C 0.020 176.628 176.600 0.014 0.000 0.933 47 K CA -0.997 55.292 56.287 0.004 0.000 0.798 47 K CB 2.991 35.487 32.500 -0.008 0.000 1.238 47 K HN 0.010 nan 8.250 nan 0.000 0.428 48 V N 3.649 123.568 119.914 0.008 0.000 2.529 48 V HA -0.023 4.097 4.120 0.000 0.000 0.292 48 V C 1.353 177.448 176.094 0.002 0.000 1.028 48 V CA 0.580 62.890 62.300 0.017 0.000 1.074 48 V CB 0.735 32.569 31.823 0.020 0.000 0.958 48 V HN 0.839 nan 8.190 nan 0.000 0.481 49 K N 4.431 124.828 120.400 -0.004 0.000 2.367 49 K HA 0.225 4.545 4.320 0.000 0.000 0.195 49 K C 0.516 177.092 176.600 -0.040 0.000 1.060 49 K CA 0.130 56.406 56.287 -0.018 0.000 1.022 49 K CB 0.515 33.004 32.500 -0.018 0.000 0.894 49 K HN 0.734 nan 8.250 nan 0.000 0.540 50 N N -0.674 117.996 118.700 -0.051 0.000 2.598 50 N HA 0.468 5.208 4.740 0.000 0.000 0.263 50 N C -2.197 173.227 175.510 -0.144 0.000 1.254 50 N CA -0.647 52.331 53.050 -0.120 0.000 0.863 50 N CB 2.236 40.653 38.487 -0.117 0.000 1.586 50 N HN 0.166 nan 8.380 nan 0.000 0.491 51 A N 1.540 124.169 122.820 -0.319 0.000 2.574 51 A HA 0.653 4.973 4.320 0.000 0.000 0.297 51 A C -2.262 174.949 177.584 -0.622 0.000 1.062 51 A CA -0.344 51.533 52.037 -0.267 0.000 0.686 51 A CB 1.021 19.948 19.000 -0.121 0.000 1.285 51 A HN 0.596 nan 8.150 nan 0.000 0.403 52 Y N 0.256 120.487 120.300 -0.115 0.000 2.406 52 Y HA 0.613 5.163 4.550 0.000 0.000 0.340 52 Y C 0.522 176.404 175.900 -0.030 0.000 0.975 52 Y CA -0.464 57.500 58.100 -0.227 0.000 1.056 52 Y CB 2.670 40.850 38.460 -0.467 0.000 1.210 52 Y HN 0.588 nan 8.280 nan 0.000 0.448 53 S N 2.470 118.316 115.700 0.243 0.000 2.461 53 S HA 0.409 4.879 4.470 0.000 0.000 0.322 53 S C -0.670 174.109 174.600 0.299 0.000 1.063 53 S CA -0.384 57.947 58.200 0.219 0.000 1.120 53 S CB 0.232 63.511 63.200 0.132 0.000 0.968 53 S HN 0.578 nan 8.310 nan 0.000 0.467 54 S N 4.218 120.065 115.700 0.245 0.000 2.498 54 S HA 0.529 4.999 4.470 0.000 0.000 0.324 54 S C -0.506 174.224 174.600 0.216 0.000 1.071 54 S CA -0.559 57.769 58.200 0.213 0.000 1.113 54 S CB 0.591 63.921 63.200 0.217 0.000 0.976 54 S HN 0.623 nan 8.310 nan 0.000 0.462 55 S N 3.410 119.238 115.700 0.213 0.000 2.438 55 S HA 0.325 4.795 4.470 0.000 0.000 0.293 55 S C 1.033 175.953 174.600 0.534 0.000 1.141 55 S CA -0.589 57.801 58.200 0.316 0.000 1.080 55 S CB 1.152 64.521 63.200 0.282 0.000 0.978 55 S HN 0.880 nan 8.310 nan 0.000 0.479 56 T N 0.474 115.338 114.554 0.516 0.000 3.174 56 T HA 0.387 4.737 4.350 0.000 0.000 0.269 56 T C -0.131 174.835 174.700 0.443 0.000 1.017 56 T CA -0.282 62.163 62.100 0.575 0.000 0.899 56 T CB -0.347 68.748 68.868 0.378 0.000 1.077 56 T HN 0.340 nan 8.240 nan 0.000 0.552 57 L N 1.127 122.569 121.223 0.364 0.000 2.385 57 L HA 0.831 5.171 4.340 0.000 0.000 0.273 57 L C -1.733 175.109 176.870 -0.046 0.000 0.990 57 L CA -1.377 53.521 54.840 0.097 0.000 0.821 57 L CB 2.019 44.169 42.059 0.151 0.000 1.279 57 L HN 0.242 nan 8.230 nan 0.000 0.412 58 F N 4.364 123.938 119.950 -0.626 0.000 2.520 58 F HA 0.620 5.147 4.527 0.000 0.000 0.322 58 F C 0.556 176.120 175.800 -0.394 0.000 1.103 58 F CA -0.313 57.291 58.000 -0.660 0.000 0.926 58 F CB 1.855 39.967 39.000 -1.481 0.000 1.154 58 F HN 0.627 nan 8.300 nan 0.000 0.453 59 R N 2.363 122.294 120.500 -0.948 0.000 2.243 59 R HA 0.315 4.655 4.340 0.000 0.000 0.193 59 R C 0.563 176.310 176.300 -0.921 0.000 0.933 59 R CA 0.337 56.023 56.100 -0.689 0.000 1.105 59 R CB 0.495 30.587 30.300 -0.347 0.000 1.169 59 R HN 0.958 nan 8.270 nan 0.000 0.599 60 G N 1.672 109.658 108.800 -1.356 0.000 2.203 60 G HA2 -0.208 3.752 3.960 0.000 0.000 0.231 60 G HA3 -0.208 3.752 3.960 0.000 0.000 0.231 60 G C 0.530 175.283 174.900 -0.244 0.000 1.058 60 G CA -0.031 44.611 45.100 -0.763 0.000 0.781 60 G HN 0.145 nan 8.290 nan 0.000 0.496 61 L N -0.732 120.381 121.223 -0.184 0.000 2.127 61 L HA -0.084 4.256 4.340 0.000 0.000 0.211 61 L C 2.731 179.565 176.870 -0.061 0.000 1.089 61 L CA 2.069 56.859 54.840 -0.084 0.000 0.757 61 L CB -0.399 41.625 42.059 -0.059 0.000 0.899 61 L HN 0.484 nan 8.230 nan 0.000 0.434 62 E N 0.470 120.683 120.200 0.022 0.000 2.110 62 E HA -0.197 4.153 4.350 0.000 0.000 0.193 62 E C 2.249 178.872 176.600 0.039 0.000 0.988 62 E CA 1.130 57.569 56.400 0.065 0.000 0.804 62 E CB -0.088 29.699 29.700 0.146 0.000 0.745 62 E HN 0.492 nan 8.360 nan 0.000 0.458 63 I N 0.749 121.350 120.570 0.052 0.000 2.202 63 I HA -0.255 3.915 4.170 0.000 0.000 0.242 63 I C 2.291 178.401 176.117 -0.012 0.000 1.091 63 I CA 1.039 62.369 61.300 0.051 0.000 1.368 63 I CB -0.218 37.845 38.000 0.105 0.000 1.058 63 I HN 0.092 nan 8.210 nan 0.000 0.410 64 I N 0.524 121.063 120.570 -0.052 0.000 2.286 64 I HA -0.285 3.885 4.170 0.000 0.000 0.248 64 I C 2.338 178.312 176.117 -0.239 0.000 1.115 64 I CA 1.411 62.649 61.300 -0.103 0.000 1.392 64 I CB -0.193 37.770 38.000 -0.060 0.000 1.065 64 I HN 0.217 nan 8.210 nan 0.000 0.418 65 L N 0.434 121.488 121.223 -0.282 0.000 2.291 65 L HA -0.107 4.233 4.340 0.000 0.000 0.214 65 L C 1.322 178.066 176.870 -0.211 0.000 1.120 65 L CA 0.377 54.981 54.840 -0.393 0.000 0.799 65 L CB -0.359 41.470 42.059 -0.384 0.000 0.925 65 L HN 0.118 nan 8.230 nan 0.000 0.446 66 K N 0.327 120.669 120.400 -0.097 0.000 2.484 66 K HA 0.133 4.453 4.320 0.000 0.000 0.280 66 K C 1.100 177.673 176.600 -0.046 0.000 1.013 66 K CA 0.972 57.239 56.287 -0.033 0.000 1.029 66 K CB 0.337 32.838 32.500 0.001 0.000 0.902 66 K HN 0.193 nan 8.250 nan 0.000 0.481 67 G N 3.140 111.928 108.800 -0.020 0.000 2.199 67 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 67 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 67 G C 0.086 174.973 174.900 -0.022 0.000 0.982 67 G CA 0.242 45.335 45.100 -0.013 0.000 0.632 67 G HN 0.631 nan 8.290 nan 0.000 0.529 68 R N 0.389 120.852 120.500 -0.061 0.000 2.541 68 R HA 0.437 4.777 4.340 0.000 0.000 0.263 68 R C -0.221 176.070 176.300 -0.015 0.000 1.112 68 R CA -0.517 55.543 56.100 -0.067 0.000 1.170 68 R CB 0.364 30.549 30.300 -0.191 0.000 1.167 68 R HN 0.188 nan 8.270 nan 0.000 0.582 69 D N 1.148 121.560 120.400 0.020 0.000 2.417 69 D HA 0.022 4.662 4.640 0.000 0.000 0.250 69 D C -1.672 174.666 176.300 0.064 0.000 1.166 69 D CA -1.870 52.168 54.000 0.064 0.000 0.881 69 D CB 1.229 42.084 40.800 0.092 0.000 1.164 69 D HN 0.122 nan 8.370 nan 0.000 0.467 70 P HA -0.101 nan 4.420 nan 0.000 0.219 70 P C 1.057 178.403 177.300 0.077 0.000 1.146 70 P CA 1.094 64.249 63.100 0.092 0.000 0.808 70 P CB 0.201 31.971 31.700 0.116 0.000 0.779 71 R N -0.669 119.905 120.500 0.123 0.000 2.193 71 R HA -0.099 4.241 4.340 0.000 0.000 0.229 71 R C 1.231 177.618 176.300 0.144 0.000 1.110 71 R CA 1.105 57.284 56.100 0.132 0.000 0.988 71 R CB -0.595 29.843 30.300 0.230 0.000 0.871 71 R HN 0.251 nan 8.270 nan 0.000 0.458 72 D N 0.353 120.848 120.400 0.158 0.000 2.323 72 D HA 0.025 4.665 4.640 0.000 0.000 0.209 72 D C 1.686 178.110 176.300 0.207 0.000 0.973 72 D CA 0.698 54.859 54.000 0.269 0.000 0.874 72 D CB 0.026 40.998 40.800 0.287 0.000 0.930 72 D HN 0.178 nan 8.370 nan 0.000 0.521 73 A N 1.585 124.392 122.820 -0.020 0.000 1.892 73 A HA -0.300 4.021 4.320 0.000 0.000 0.218 73 A C 2.158 179.652 177.584 -0.150 0.000 1.188 73 A CA 2.185 54.080 52.037 -0.237 0.000 0.631 73 A CB -0.850 17.855 19.000 -0.492 0.000 0.822 73 A HN 0.404 nan 8.150 nan 0.000 0.447 74 Q N -1.108 118.591 119.800 -0.168 0.000 2.234 74 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 74 Q C 1.657 177.505 176.000 -0.255 0.000 0.980 74 Q CA 2.036 57.707 55.803 -0.221 0.000 0.869 74 Q CB -0.746 27.789 28.738 -0.338 0.000 0.912 74 Q HN 0.834 nan 8.270 nan 0.000 0.436 75 H N -0.638 118.443 119.070 0.018 0.000 2.363 75 H HA -0.002 4.554 4.556 0.000 0.000 0.301 75 H C 1.258 176.520 175.328 -0.111 0.000 1.074 75 H CA 1.549 57.565 56.048 -0.053 0.000 1.354 75 H CB -0.024 29.699 29.762 -0.065 0.000 1.397 75 H HN 0.197 nan 8.280 nan 0.000 0.516 76 F N 0.469 120.384 119.950 -0.058 0.000 2.084 76 F HA -0.196 4.331 4.527 0.000 0.000 0.296 76 F C 2.852 178.550 175.800 -0.170 0.000 1.111 76 F CA 1.609 59.536 58.000 -0.122 0.000 1.224 76 F CB -0.817 38.089 39.000 -0.158 0.000 0.991 76 F HN 0.219 nan 8.300 nan 0.000 0.471 77 T N -2.242 112.314 114.554 0.003 0.000 2.995 77 T HA -0.201 4.149 4.350 0.000 0.000 0.269 77 T C 1.823 176.493 174.700 -0.050 0.000 1.091 77 T CA 1.153 63.210 62.100 -0.072 0.000 1.128 77 T CB -0.548 68.299 68.868 -0.034 0.000 0.891 77 T HN 0.370 nan 8.240 nan 0.000 0.492 78 Q N 0.614 120.383 119.800 -0.051 0.000 2.181 78 Q HA -0.100 4.240 4.340 0.000 0.000 0.205 78 Q C 1.847 177.718 176.000 -0.215 0.000 0.980 78 Q CA 1.137 56.890 55.803 -0.084 0.000 0.862 78 Q CB -0.045 28.596 28.738 -0.162 0.000 0.905 78 Q HN 0.336 nan 8.270 nan 0.000 0.429 79 R N -0.360 119.984 120.500 -0.261 0.000 2.328 79 R HA 0.033 4.373 4.340 0.000 0.000 0.200 79 R C 1.719 177.984 176.300 -0.057 0.000 0.983 79 R CA 0.719 56.725 56.100 -0.157 0.000 1.062 79 R CB -0.478 29.742 30.300 -0.134 0.000 0.956 79 R HN 0.237 nan 8.270 nan 0.000 0.479 80 T N -0.819 113.650 114.554 -0.142 0.000 2.699 80 T HA -0.136 4.214 4.350 0.000 0.000 0.268 80 T C 0.775 175.454 174.700 -0.034 0.000 1.036 80 T CA 1.316 63.302 62.100 -0.190 0.000 1.147 80 T CB -0.121 68.349 68.868 -0.664 0.000 0.862 80 T HN 0.380 nan 8.240 nan 0.000 0.446 81 C N -0.197 119.153 119.300 0.084 0.000 3.046 81 C HA 0.601 5.061 4.460 0.000 0.000 0.388 81 C C 1.261 176.438 174.990 0.312 0.000 1.041 81 C CA -0.528 58.604 59.018 0.189 0.000 1.241 81 C CB 1.004 28.873 27.740 0.214 0.000 1.638 81 C HN 0.486 nan 8.230 nan 0.000 0.539 82 G N 2.991 111.918 108.800 0.211 0.000 3.020 82 G HA2 0.333 4.293 3.960 0.000 0.000 0.217 82 G HA3 0.333 4.293 3.960 0.000 0.000 0.217 82 G C 0.492 175.425 174.900 0.055 0.000 1.144 82 G CA 0.455 45.595 45.100 0.067 0.000 0.760 82 G HN 0.740 nan 8.290 nan 0.000 0.548 86 Y N 0.556 120.983 120.300 0.213 0.000 3.049 86 Y HA -0.391 4.159 4.550 0.000 0.000 0.478 86 Y C 1.844 177.793 175.900 0.081 0.000 1.177 86 Y CA 3.741 61.939 58.100 0.163 0.000 2.663 86 Y CB -1.873 36.703 38.460 0.193 0.000 0.854 86 Y HN 1.001 nan 8.280 nan 0.000 0.525 87 T N -1.886 112.582 114.554 -0.143 0.000 2.699 87 T HA -0.288 4.062 4.350 0.000 0.000 0.268 87 T C 1.387 175.826 174.700 -0.436 0.000 1.036 87 T CA 2.061 63.928 62.100 -0.388 0.000 1.147 87 T CB -0.755 67.930 68.868 -0.306 0.000 0.862 87 T HN 0.769 nan 8.240 nan 0.000 0.446 88 H N 1.027 120.016 119.070 -0.136 0.000 2.436 88 H HA 0.341 4.897 4.556 0.000 0.000 0.294 88 H C 2.835 178.076 175.328 -0.144 0.000 1.048 88 H CA 1.077 57.068 56.048 -0.095 0.000 1.353 88 H CB -0.506 29.328 29.762 0.120 0.000 1.414 88 H HN 0.585 nan 8.280 nan 0.000 0.536 89 A N 1.433 124.228 122.820 -0.042 0.000 1.908 89 A HA -0.157 4.163 4.320 0.000 0.000 0.218 89 A C 2.478 179.913 177.584 -0.250 0.000 1.181 89 A CA 1.367 53.332 52.037 -0.120 0.000 0.627 89 A CB -0.767 18.207 19.000 -0.042 0.000 0.818 89 A HN 0.283 nan 8.150 nan 0.000 0.445 90 L N -0.303 120.657 121.223 -0.439 0.000 2.017 90 L HA -0.058 4.282 4.340 0.000 0.000 0.208 90 L C 2.687 179.317 176.870 -0.401 0.000 1.073 90 L CA 2.266 56.817 54.840 -0.482 0.000 0.745 90 L CB -0.806 40.790 42.059 -0.773 0.000 0.894 90 L HN 0.343 nan 8.230 nan 0.000 0.432 91 A N -1.634 120.887 122.820 -0.498 0.000 1.902 91 A HA -0.181 4.139 4.320 0.000 0.000 0.217 91 A C 2.417 179.721 177.584 -0.467 0.000 1.181 91 A CA 1.987 53.652 52.037 -0.620 0.000 0.623 91 A CB -0.973 17.376 19.000 -1.086 0.000 0.818 91 A HN 0.511 nan 8.150 nan 0.000 0.443 92 S N -0.633 114.917 115.700 -0.250 0.000 2.368 92 S HA -0.109 4.361 4.470 0.000 0.000 0.224 92 S C 2.061 176.639 174.600 -0.037 0.000 1.029 92 S CA 1.762 60.054 58.200 0.153 0.000 0.988 92 S CB -0.426 62.916 63.200 0.236 0.000 0.838 92 S HN 0.711 nan 8.310 nan 0.000 0.462 93 T N 1.945 116.404 114.554 -0.159 0.000 2.777 93 T HA -0.014 4.336 4.350 0.000 0.000 0.266 93 T C 1.875 176.439 174.700 -0.226 0.000 1.040 93 T CA 0.906 62.887 62.100 -0.199 0.000 1.141 93 T CB -0.139 68.594 68.868 -0.226 0.000 0.868 93 T HN 0.326 nan 8.240 nan 0.000 0.444 94 R N 0.140 120.488 120.500 -0.252 0.000 2.105 94 R HA -0.077 4.263 4.340 0.000 0.000 0.239 94 R C 2.863 178.983 176.300 -0.300 0.000 1.135 94 R CA 1.331 57.261 56.100 -0.283 0.000 0.967 94 R CB -0.868 29.253 30.300 -0.298 0.000 0.861 94 R HN 0.417 nan 8.270 nan 0.000 0.442 95 C N 0.148 119.287 119.300 -0.269 0.000 2.432 95 C HA -0.052 4.408 4.460 0.000 0.000 0.277 95 C C 2.568 177.458 174.990 -0.167 0.000 1.249 95 C CA 0.683 59.550 59.018 -0.250 0.000 1.725 95 C CB -0.666 26.959 27.740 -0.192 0.000 2.028 95 C HN 0.285 nan 8.230 nan 0.000 0.477 96 V N 1.307 121.145 119.914 -0.128 0.000 2.379 96 V HA -0.121 3.999 4.120 0.000 0.000 0.245 96 V C 2.310 178.258 176.094 -0.245 0.000 1.044 96 V CA 2.336 64.548 62.300 -0.146 0.000 1.036 96 V CB -0.811 30.933 31.823 -0.132 0.000 0.664 96 V HN 0.492 nan 8.190 nan 0.000 0.453 97 D N 0.391 120.619 120.400 -0.286 0.000 2.116 97 D HA -0.222 4.418 4.640 0.000 0.000 0.193 97 D C 2.121 178.316 176.300 -0.176 0.000 0.998 97 D CA 1.654 55.485 54.000 -0.281 0.000 0.836 97 D CB -0.502 40.142 40.800 -0.260 0.000 0.951 97 D HN 0.473 nan 8.370 nan 0.000 0.449 98 N N 0.604 119.173 118.700 -0.219 0.000 2.120 98 N HA -0.154 4.586 4.740 0.000 0.000 0.188 98 N C 1.762 177.262 175.510 -0.017 0.000 1.024 98 N CA 1.463 54.411 53.050 -0.170 0.000 0.852 98 N CB 0.027 38.343 38.487 -0.285 0.000 1.003 98 N HN 0.077 nan 8.380 nan 0.000 0.424 99 A N 0.980 123.773 122.820 -0.044 0.000 1.940 99 A HA -0.115 4.205 4.320 0.000 0.000 0.219 99 A C 2.294 179.895 177.584 0.029 0.000 1.176 99 A CA 2.000 54.037 52.037 0.000 0.000 0.631 99 A CB -0.787 18.209 19.000 -0.006 0.000 0.814 99 A HN 0.351 nan 8.150 nan 0.000 0.446 100 V N -3.707 116.212 119.914 0.008 0.000 3.541 100 V HA 0.482 4.602 4.120 0.000 0.000 0.267 100 V C 1.378 177.547 176.094 0.126 0.000 1.213 100 V CA 0.886 63.235 62.300 0.081 0.000 1.149 100 V CB -0.862 31.010 31.823 0.081 0.000 0.822 100 V HN 1.607 nan 8.190 nan 0.000 0.462 101 G N 0.033 108.909 108.800 0.126 0.000 2.160 101 G HA2 -0.216 3.744 3.960 0.000 0.000 0.251 101 G HA3 -0.216 3.744 3.960 0.000 0.000 0.251 101 G C 0.085 175.111 174.900 0.210 0.000 1.008 101 G CA 0.362 45.572 45.100 0.183 0.000 0.724 101 G HN 1.233 nan 8.290 nan 0.000 0.514 102 V N 1.423 121.433 119.914 0.161 0.000 2.607 102 V HA 0.538 4.658 4.120 0.000 0.000 0.289 102 V C 0.318 176.492 176.094 0.133 0.000 1.053 102 V CA -0.834 61.574 62.300 0.180 0.000 0.996 102 V CB 0.894 32.782 31.823 0.109 0.000 0.995 102 V HN 0.364 nan 8.190 nan 0.000 0.476 103 H N 7.392 126.526 119.070 0.107 0.000 2.623 103 H HA 0.350 4.906 4.556 0.000 0.000 0.299 103 H C 0.270 175.647 175.328 0.082 0.000 1.052 103 H CA -0.339 55.780 56.048 0.117 0.000 1.231 103 H CB 1.171 30.932 29.762 -0.002 0.000 1.389 103 H HN 0.761 nan 8.280 nan 0.000 0.469 104 I N 1.143 121.787 120.570 0.123 0.000 2.882 104 I HA 0.320 4.490 4.170 0.000 0.000 0.286 104 I C -2.415 173.741 176.117 0.065 0.000 1.139 104 I CA -2.049 59.291 61.300 0.068 0.000 1.379 104 I CB 0.278 38.281 38.000 0.004 0.000 1.410 104 I HN 0.155 nan 8.210 nan 0.000 0.594 105 P HA 0.130 nan 4.420 nan 0.000 0.269 105 P C 0.007 177.313 177.300 0.010 0.000 1.215 105 P CA -0.305 62.822 63.100 0.045 0.000 0.780 105 P CB 0.558 32.289 31.700 0.052 0.000 0.898 106 K N 1.082 121.486 120.400 0.008 0.000 2.074 106 K HA -0.201 4.119 4.320 0.000 0.000 0.209 106 K C 1.524 178.097 176.600 -0.045 0.000 1.048 106 K CA 1.574 57.821 56.287 -0.068 0.000 0.926 106 K CB -0.334 32.171 32.500 0.009 0.000 0.713 106 K HN 0.414 nan 8.250 nan 0.000 0.444 107 N N 0.699 119.471 118.700 0.119 0.000 2.223 107 N HA -0.119 4.621 4.740 0.000 0.000 0.185 107 N C 1.671 177.188 175.510 0.012 0.000 1.016 107 N CA 1.208 54.380 53.050 0.203 0.000 0.863 107 N CB -0.242 38.376 38.487 0.218 0.000 0.983 107 N HN 0.203 nan 8.380 nan 0.000 0.429 108 A N 0.371 123.181 122.820 -0.017 0.000 1.933 108 A HA -0.103 4.217 4.320 0.000 0.000 0.218 108 A C 2.375 179.929 177.584 -0.050 0.000 1.175 108 A CA 1.803 53.817 52.037 -0.039 0.000 0.628 108 A CB -0.972 18.012 19.000 -0.027 0.000 0.814 108 A HN 0.260 nan 8.150 nan 0.000 0.444 109 T N -1.100 113.398 114.554 -0.093 0.000 2.708 109 T HA -0.165 4.185 4.350 0.000 0.000 0.266 109 T C 1.714 176.341 174.700 -0.122 0.000 1.037 109 T CA 1.794 63.819 62.100 -0.124 0.000 1.146 109 T CB -0.490 68.256 68.868 -0.202 0.000 0.865 109 T HN 0.605 nan 8.240 nan 0.000 0.435 110 Y N 0.837 121.066 120.300 -0.117 0.000 2.128 110 Y HA -0.088 4.462 4.550 0.000 0.000 0.284 110 Y C 2.357 178.020 175.900 -0.395 0.000 1.154 110 Y CA 0.784 58.732 58.100 -0.253 0.000 1.149 110 Y CB -0.385 37.870 38.460 -0.343 0.000 0.976 110 Y HN 0.148 nan 8.280 nan 0.000 0.505 111 I N -0.230 120.142 120.570 -0.329 0.000 2.226 111 I HA -0.310 3.860 4.170 0.000 0.000 0.245 111 I C 2.382 178.479 176.117 -0.033 0.000 1.100 111 I CA 1.354 62.411 61.300 -0.403 0.000 1.374 111 I CB -0.386 37.349 38.000 -0.441 0.000 1.057 111 I HN 0.144 nan 8.210 nan 0.000 0.413 112 R N 0.676 121.260 120.500 0.139 0.000 2.081 112 R HA -0.151 4.189 4.340 0.000 0.000 0.235 112 R C 2.058 178.563 176.300 0.341 0.000 1.131 112 R CA 1.799 58.109 56.100 0.350 0.000 0.960 112 R CB -0.534 29.907 30.300 0.235 0.000 0.856 112 R HN 0.525 nan 8.270 nan 0.000 0.436 113 N N 0.369 119.206 118.700 0.229 0.000 2.142 113 N HA -0.125 4.615 4.740 0.000 0.000 0.186 113 N C 1.824 177.527 175.510 0.323 0.000 1.023 113 N CA 0.772 54.035 53.050 0.355 0.000 0.852 113 N CB -0.041 38.638 38.487 0.321 0.000 0.998 113 N HN 0.123 nan 8.380 nan 0.000 0.424 114 L N 0.645 121.925 121.223 0.094 0.000 2.056 114 L HA -0.130 4.210 4.340 0.000 0.000 0.207 114 L C 2.247 179.204 176.870 0.145 0.000 1.078 114 L CA 0.781 55.624 54.840 0.005 0.000 0.749 114 L CB -0.344 41.537 42.059 -0.297 0.000 0.901 114 L HN 0.037 nan 8.230 nan 0.000 0.433 115 V N -0.228 119.738 119.914 0.088 0.000 2.407 115 V HA -0.277 3.843 4.120 0.000 0.000 0.248 115 V C 2.334 178.567 176.094 0.231 0.000 1.055 115 V CA 1.515 63.819 62.300 0.007 0.000 1.049 115 V CB -0.376 31.211 31.823 -0.394 0.000 0.662 115 V HN 0.317 nan 8.190 nan 0.000 0.455 116 L N 1.334 122.866 121.223 0.515 0.000 2.056 116 L HA 0.033 4.373 4.340 0.000 0.000 0.207 116 L C 2.365 179.649 176.870 0.690 0.000 1.078 116 L CA 2.334 57.580 54.840 0.677 0.000 0.749 116 L CB -1.311 41.114 42.059 0.611 0.000 0.901 116 L HN 0.261 nan 8.230 nan 0.000 0.433 117 G N -0.948 108.241 108.800 0.650 0.000 2.440 117 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 117 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 117 G C 1.617 176.760 174.900 0.404 0.000 1.154 117 G CA 0.876 46.255 45.100 0.466 0.000 0.767 117 G HN 0.627 nan 8.290 nan 0.000 0.552 118 A N 0.303 123.336 122.820 0.355 0.000 1.940 118 A HA -0.128 4.192 4.320 0.000 0.000 0.219 118 A C 2.316 180.072 177.584 0.286 0.000 1.176 118 A CA 2.349 54.558 52.037 0.285 0.000 0.631 118 A CB -0.496 18.651 19.000 0.246 0.000 0.814 118 A HN 0.441 nan 8.150 nan 0.000 0.446 119 Q N -0.990 118.996 119.800 0.310 0.000 2.061 119 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 119 Q C 1.707 177.853 176.000 0.245 0.000 0.984 119 Q CA 2.246 58.212 55.803 0.272 0.000 0.846 119 Q CB -0.714 28.202 28.738 0.297 0.000 0.902 119 Q HN 0.697 nan 8.270 nan 0.000 0.421 120 Y N 0.103 120.498 120.300 0.160 0.000 2.151 120 Y HA -0.237 4.313 4.550 0.000 0.000 0.284 120 Y C 2.025 177.926 175.900 0.002 0.000 1.166 120 Y CA 1.755 59.851 58.100 -0.006 0.000 1.163 120 Y CB -0.151 38.372 38.460 0.104 0.000 0.974 120 Y HN 0.127 nan 8.280 nan 0.000 0.511 121 L N -1.392 120.028 121.223 0.328 0.000 2.027 121 L HA -0.259 4.081 4.340 0.000 0.000 0.206 121 L C 2.561 179.570 176.870 0.232 0.000 1.074 121 L CA 1.709 56.726 54.840 0.296 0.000 0.745 121 L CB -0.958 41.270 42.059 0.283 0.000 0.898 121 L HN 0.395 nan 8.230 nan 0.000 0.433 122 H N 0.336 119.488 119.070 0.138 0.000 2.290 122 H HA -0.237 4.319 4.556 0.000 0.000 0.298 122 H C 1.877 177.269 175.328 0.107 0.000 1.087 122 H CA 2.246 58.349 56.048 0.092 0.000 1.291 122 H CB 0.077 29.878 29.762 0.065 0.000 1.369 122 H HN 0.306 nan 8.280 nan 0.000 0.492 123 D N -0.223 120.224 120.400 0.080 0.000 2.084 123 D HA -0.160 4.480 4.640 0.000 0.000 0.194 123 D C 2.147 178.535 176.300 0.147 0.000 0.990 123 D CA 1.148 55.187 54.000 0.065 0.000 0.826 123 D CB -0.292 40.529 40.800 0.035 0.000 0.971 123 D HN 0.462 nan 8.370 nan 0.000 0.453 124 H N 0.218 119.366 119.070 0.130 0.000 2.389 124 H HA 0.015 4.571 4.556 0.000 0.000 0.299 124 H C 2.398 177.728 175.328 0.004 0.000 1.081 124 H CA 0.486 56.630 56.048 0.160 0.000 1.345 124 H CB -0.413 29.523 29.762 0.290 0.000 1.393 124 H HN 0.271 nan 8.280 nan 0.000 0.520 125 I N -0.261 120.348 120.570 0.064 0.000 2.179 125 I HA -0.239 3.931 4.170 0.000 0.000 0.242 125 I C 2.351 178.430 176.117 -0.063 0.000 1.088 125 I CA 0.925 62.167 61.300 -0.096 0.000 1.357 125 I CB -0.269 37.750 38.000 0.032 0.000 1.051 125 I HN 0.022 nan 8.210 nan 0.000 0.409 126 V N 0.419 120.278 119.914 -0.092 0.000 2.407 126 V HA -0.329 3.791 4.120 0.000 0.000 0.248 126 V C 2.488 178.561 176.094 -0.034 0.000 1.055 126 V CA 2.074 64.347 62.300 -0.044 0.000 1.049 126 V CB -1.006 30.765 31.823 -0.085 0.000 0.662 126 V HN 0.531 nan 8.190 nan 0.000 0.455 127 H N -0.633 118.428 119.070 -0.015 0.000 2.293 127 H HA -0.239 4.317 4.556 0.000 0.000 0.300 127 H C 2.317 177.637 175.328 -0.013 0.000 1.082 127 H CA 2.499 58.552 56.048 0.009 0.000 1.308 127 H CB -0.232 29.581 29.762 0.085 0.000 1.375 127 H HN 0.439 nan 8.280 nan 0.000 0.495 128 F N 0.593 120.422 119.950 -0.202 0.000 2.069 128 F HA -0.298 4.229 4.527 0.000 0.000 0.298 128 F C 2.022 177.567 175.800 -0.425 0.000 1.113 128 F CA 1.819 59.651 58.000 -0.281 0.000 1.214 128 F CB -0.544 38.184 39.000 -0.454 0.000 0.978 128 F HN 0.103 nan 8.300 nan 0.000 0.474 129 Y N -0.731 119.332 120.300 -0.395 0.000 2.176 129 Y HA -0.112 4.438 4.550 0.000 0.000 0.291 129 Y C 2.555 178.128 175.900 -0.545 0.000 1.122 129 Y CA 2.194 59.956 58.100 -0.564 0.000 1.128 129 Y CB -0.992 37.020 38.460 -0.745 0.000 1.005 129 Y HN 0.131 nan 8.280 nan 0.000 0.509 130 H N -1.488 117.493 119.070 -0.148 0.000 2.547 130 H HA 0.147 4.703 4.556 0.000 0.000 0.272 130 H C 1.576 176.807 175.328 -0.162 0.000 0.971 130 H CA 0.720 56.644 56.048 -0.207 0.000 1.245 130 H CB 0.272 29.866 29.762 -0.281 0.000 1.440 130 H HN 0.215 nan 8.280 nan 0.000 0.540 131 L N -1.135 119.947 121.223 -0.234 0.000 2.433 131 L HA 0.052 4.392 4.340 0.000 0.000 0.200 131 L C 2.069 178.590 176.870 -0.581 0.000 1.059 131 L CA 0.440 55.050 54.840 -0.383 0.000 0.835 131 L CB 0.021 41.855 42.059 -0.375 0.000 1.076 131 L HN 0.274 nan 8.230 nan 0.000 0.481 132 H N 0.561 119.159 119.070 -0.787 0.000 2.418 132 H HA 0.205 4.761 4.556 0.000 0.000 0.300 132 H C 2.061 176.827 175.328 -0.937 0.000 1.041 132 H CA 0.914 56.546 56.048 -0.694 0.000 1.364 132 H CB 0.347 29.825 29.762 -0.472 0.000 1.439 132 H HN 0.177 nan 8.280 nan 0.000 0.540 133 A N 0.750 122.947 122.820 -1.039 0.000 2.019 133 A HA -0.056 4.264 4.320 0.000 0.000 0.219 133 A C 2.358 179.197 177.584 -1.242 0.000 1.164 133 A CA 0.925 51.869 52.037 -1.821 0.000 0.644 133 A CB -0.828 17.575 19.000 -0.994 0.000 0.805 133 A HN 0.415 nan 8.150 nan 0.000 0.449 134 L N -0.291 120.615 121.223 -0.529 0.000 2.549 134 L HA -0.121 4.219 4.340 0.000 0.000 0.229 134 L C 1.094 177.948 176.870 -0.027 0.000 1.158 134 L CA 0.547 55.297 54.840 -0.150 0.000 0.842 134 L CB -0.444 41.675 42.059 0.099 0.000 0.952 134 L HN 0.263 nan 8.230 nan 0.000 0.452 135 D N 0.027 120.255 120.400 -0.287 0.000 2.312 135 D HA -0.102 4.538 4.640 0.000 0.000 0.211 135 D C 1.420 177.451 176.300 -0.448 0.000 0.964 135 D CA 1.137 55.029 54.000 -0.181 0.000 0.877 135 D CB 0.177 40.929 40.800 -0.080 0.000 0.924 135 D HN 0.506 nan 8.370 nan 0.000 0.515 136 F N -1.933 117.769 119.950 -0.412 0.000 2.831 136 F HA 0.303 4.830 4.527 0.000 0.000 0.334 136 F C 0.396 176.143 175.800 -0.089 0.000 1.071 136 F CA -0.528 57.129 58.000 -0.572 0.000 1.172 136 F CB 0.376 38.911 39.000 -0.776 0.000 1.054 136 F HN -0.354 nan 8.300 nan 0.000 0.572 137 V N 2.140 122.060 119.914 0.011 0.000 2.417 137 V HA 0.261 4.381 4.120 0.000 0.000 0.291 137 V C -0.970 174.898 176.094 -0.376 0.000 1.024 137 V CA -0.664 61.592 62.300 -0.074 0.000 0.861 137 V CB 1.541 33.245 31.823 -0.198 0.000 0.985 137 V HN 0.078 nan 8.190 nan 0.000 0.436 138 D N 4.158 124.259 120.400 -0.498 0.000 2.441 138 D HA 0.205 4.845 4.640 0.000 0.000 0.221 138 D C 0.879 176.640 176.300 -0.900 0.000 1.156 138 D CA -0.062 53.274 54.000 -1.107 0.000 0.896 138 D CB 1.628 42.108 40.800 -0.532 0.000 1.028 138 D HN 0.232 nan 8.370 nan 0.000 0.509 139 V N 3.280 122.479 119.914 -1.190 0.000 2.407 139 V HA -0.245 3.875 4.120 0.000 0.000 0.248 139 V C 2.577 178.393 176.094 -0.463 0.000 1.055 139 V CA 2.392 64.259 62.300 -0.722 0.000 1.049 139 V CB -0.810 30.453 31.823 -0.934 0.000 0.662 139 V HN 0.726 nan 8.190 nan 0.000 0.455 140 T N -1.228 113.114 114.554 -0.353 0.000 2.915 140 T HA -0.057 4.293 4.350 0.000 0.000 0.269 140 T C 1.863 176.492 174.700 -0.119 0.000 1.071 140 T CA 1.199 63.219 62.100 -0.133 0.000 1.132 140 T CB -0.385 68.498 68.868 0.026 0.000 0.878 140 T HN 0.454 nan 8.240 nan 0.000 0.479 141 A N 1.541 124.267 122.820 -0.157 0.000 2.067 141 A HA 0.439 4.759 4.320 0.000 0.000 0.219 141 A C 2.704 180.230 177.584 -0.097 0.000 1.158 141 A CA 1.322 53.299 52.037 -0.100 0.000 0.661 141 A CB -1.160 17.787 19.000 -0.089 0.000 0.801 141 A HN 0.722 nan 8.150 nan 0.000 0.452 142 A N -0.082 122.656 122.820 -0.137 0.000 2.070 142 A HA -0.038 4.282 4.320 0.000 0.000 0.220 142 A C 1.985 179.524 177.584 -0.075 0.000 1.159 142 A CA 1.302 53.272 52.037 -0.110 0.000 0.656 142 A CB -0.542 18.370 19.000 -0.147 0.000 0.800 142 A HN 0.507 nan 8.150 nan 0.000 0.453 143 L N -1.152 120.032 121.223 -0.066 0.000 2.275 143 L HA -0.142 4.198 4.340 0.000 0.000 0.215 143 L C 2.114 178.969 176.870 -0.025 0.000 1.119 143 L CA 1.299 56.117 54.840 -0.037 0.000 0.790 143 L CB -0.283 41.762 42.059 -0.024 0.000 0.919 143 L HN 0.345 nan 8.230 nan 0.000 0.443 144 K N 0.034 120.418 120.400 -0.027 0.000 2.426 144 K HA 0.191 4.511 4.320 0.000 0.000 0.193 144 K C 0.807 177.397 176.600 -0.016 0.000 1.028 144 K CA -0.102 56.175 56.287 -0.016 0.000 1.047 144 K CB 0.271 32.764 32.500 -0.012 0.000 0.821 144 K HN 0.170 nan 8.250 nan 0.000 0.513 145 A N 1.876 124.681 122.820 -0.024 0.000 2.351 145 A HA 0.029 4.349 4.320 0.000 0.000 0.257 145 A C -0.331 177.244 177.584 -0.016 0.000 1.087 145 A CA -0.354 51.671 52.037 -0.021 0.000 0.798 145 A CB 0.317 19.298 19.000 -0.031 0.000 1.033 145 A HN 0.105 nan 8.150 nan 0.000 0.488 146 D N 2.192 122.585 120.400 -0.012 0.000 2.352 146 D HA 0.228 4.868 4.640 0.000 0.000 0.245 146 D C -1.487 174.807 176.300 -0.010 0.000 1.224 146 D CA -1.907 52.088 54.000 -0.009 0.000 0.879 146 D CB 1.109 41.905 40.800 -0.006 0.000 1.057 146 D HN 0.174 nan 8.370 nan 0.000 0.491 147 P HA -0.086 nan 4.420 nan 0.000 0.221 147 P C 0.995 178.292 177.300 -0.006 0.000 1.150 147 P CA 0.658 63.752 63.100 -0.011 0.000 0.800 147 P CB 0.273 31.968 31.700 -0.009 0.000 0.787 148 A N 1.067 123.885 122.820 -0.004 0.000 1.898 148 A HA -0.145 4.175 4.320 0.000 0.000 0.216 148 A C 2.244 179.827 177.584 -0.001 0.000 1.181 148 A CA 1.381 53.417 52.037 -0.001 0.000 0.620 148 A CB -0.889 18.110 19.000 -0.001 0.000 0.819 148 A HN 0.080 nan 8.150 nan 0.000 0.442 149 K N -0.081 120.318 120.400 -0.003 0.000 2.057 149 K HA -0.087 4.233 4.320 0.000 0.000 0.207 149 K C 2.308 178.906 176.600 -0.003 0.000 1.049 149 K CA 1.232 57.518 56.287 -0.003 0.000 0.931 149 K CB -0.495 32.003 32.500 -0.003 0.000 0.714 149 K HN 0.427 nan 8.250 nan 0.000 0.440 150 A N 1.796 124.612 122.820 -0.007 0.000 1.933 150 A HA -0.112 4.209 4.320 0.000 0.000 0.218 150 A C 2.444 180.025 177.584 -0.004 0.000 1.175 150 A CA 1.934 53.965 52.037 -0.010 0.000 0.628 150 A CB -0.584 18.402 19.000 -0.022 0.000 0.814 150 A HN 0.341 nan 8.150 nan 0.000 0.444 151 A N -0.536 122.284 122.820 -0.001 0.000 1.933 151 A HA -0.142 4.178 4.320 0.000 0.000 0.218 151 A C 2.111 179.702 177.584 0.012 0.000 1.175 151 A CA 1.923 53.965 52.037 0.008 0.000 0.628 151 A CB -0.401 18.604 19.000 0.008 0.000 0.814 151 A HN 0.523 nan 8.150 nan 0.000 0.444 152 K N -0.506 119.899 120.400 0.007 0.000 2.057 152 K HA -0.081 4.239 4.320 0.000 0.000 0.207 152 K C 1.851 178.456 176.600 0.009 0.000 1.049 152 K CA 1.481 57.773 56.287 0.007 0.000 0.931 152 K CB -0.251 32.251 32.500 0.003 0.000 0.714 152 K HN 0.272 nan 8.250 nan 0.000 0.440 153 V N 0.914 120.833 119.914 0.009 0.000 2.295 153 V HA -0.260 3.860 4.120 0.000 0.000 0.246 153 V C 2.281 178.389 176.094 0.024 0.000 1.049 153 V CA 2.045 64.353 62.300 0.013 0.000 1.024 153 V CB -0.675 31.154 31.823 0.011 0.000 0.648 153 V HN 0.425 nan 8.190 nan 0.000 0.447 154 A N -0.420 122.419 122.820 0.031 0.000 1.933 154 A HA -0.204 4.116 4.320 0.000 0.000 0.218 154 A C 2.421 180.036 177.584 0.051 0.000 1.175 154 A CA 2.279 54.353 52.037 0.061 0.000 0.628 154 A CB -0.618 18.427 19.000 0.074 0.000 0.814 154 A HN 0.516 nan 8.150 nan 0.000 0.444 155 S N -0.020 115.699 115.700 0.032 0.000 2.489 155 S HA -0.072 4.398 4.470 0.000 0.000 0.228 155 S C 2.129 176.736 174.600 0.011 0.000 0.995 155 S CA 1.167 59.379 58.200 0.020 0.000 0.934 155 S CB -0.212 62.997 63.200 0.015 0.000 0.771 155 S HN 0.882 nan 8.310 nan 0.000 0.522 156 S N 1.996 117.703 115.700 0.011 0.000 2.470 156 S HA 0.068 4.538 4.470 0.000 0.000 0.225 156 S C 1.633 176.233 174.600 0.001 0.000 1.006 156 S CA 0.359 58.562 58.200 0.004 0.000 0.934 156 S CB -0.623 62.579 63.200 0.003 0.000 0.778 156 S HN 0.726 nan 8.310 nan 0.000 0.517 157 I N -1.524 119.050 120.570 0.008 0.000 3.968 157 I HA 0.436 4.606 4.170 0.000 0.000 0.328 157 I C 0.441 176.551 176.117 -0.011 0.000 1.290 157 I CA -0.422 60.878 61.300 0.001 0.000 1.163 157 I CB 0.385 38.394 38.000 0.015 0.000 1.024 157 I HN 0.250 nan 8.210 nan 0.000 0.413 158 S N 1.101 116.795 115.700 -0.009 0.000 2.549 158 S HA 0.565 5.035 4.470 0.000 0.000 0.280 158 S C -2.112 172.472 174.600 -0.025 0.000 1.109 158 S CA -1.105 57.079 58.200 -0.028 0.000 0.905 158 S CB 1.762 64.943 63.200 -0.031 0.000 1.081 158 S HN -0.048 nan 8.310 nan 0.000 0.477 159 P HA 0.011 nan 4.420 nan 0.000 0.225 159 P C 0.190 177.475 177.300 -0.025 0.000 1.156 159 P CA 0.237 63.319 63.100 -0.028 0.000 0.787 159 P CB -0.059 31.621 31.700 -0.034 0.000 0.802 160 R N 1.779 122.260 120.500 -0.032 0.000 2.480 160 R HA 0.041 4.381 4.340 0.000 0.000 0.303 160 R C 0.151 176.449 176.300 -0.004 0.000 0.985 160 R CA 0.333 56.418 56.100 -0.024 0.000 1.051 160 R CB 0.070 30.344 30.300 -0.043 0.000 0.935 160 R HN 0.060 nan 8.270 nan 0.000 0.410 161 K N 3.087 123.488 120.400 0.002 0.000 2.234 161 K HA 0.177 4.497 4.320 0.000 0.000 0.282 161 K C -0.535 176.079 176.600 0.023 0.000 1.039 161 K CA -0.244 56.049 56.287 0.011 0.000 0.928 161 K CB 1.811 34.314 32.500 0.005 0.000 1.039 161 K HN 0.500 nan 8.250 nan 0.000 0.470 162 T N 1.654 116.227 114.554 0.032 0.000 2.841 162 T HA 0.287 4.637 4.350 0.000 0.000 0.283 162 T C -0.002 174.714 174.700 0.027 0.000 1.000 162 T CA -0.753 61.372 62.100 0.042 0.000 0.977 162 T CB 1.567 70.476 68.868 0.068 0.000 0.979 162 T HN 0.686 nan 8.240 nan 0.000 0.446 163 T N -0.480 114.087 114.554 0.023 0.000 2.948 163 T HA 0.694 5.044 4.350 0.000 0.000 0.285 163 T C 1.697 176.404 174.700 0.012 0.000 1.019 163 T CA -0.378 61.731 62.100 0.015 0.000 1.013 163 T CB 1.285 70.160 68.868 0.012 0.000 1.117 163 T HN 0.476 nan 8.240 nan 0.000 0.533 164 A N 0.853 123.677 122.820 0.008 0.000 1.908 164 A HA 0.133 4.453 4.320 0.000 0.000 0.218 164 A C 2.580 180.167 177.584 0.005 0.000 1.181 164 A CA 2.052 54.092 52.037 0.004 0.000 0.627 164 A CB -1.566 17.435 19.000 0.003 0.000 0.818 164 A HN 1.283 nan 8.150 nan 0.000 0.445 165 A N -0.264 122.560 122.820 0.007 0.000 1.930 165 A HA -0.153 4.167 4.320 0.000 0.000 0.217 165 A C 1.766 179.356 177.584 0.010 0.000 1.175 165 A CA 1.752 53.793 52.037 0.007 0.000 0.627 165 A CB -0.520 18.485 19.000 0.008 0.000 0.815 165 A HN 0.474 nan 8.150 nan 0.000 0.443 166 D N 0.207 120.615 120.400 0.014 0.000 2.104 166 D HA -0.133 4.507 4.640 0.000 0.000 0.194 166 D C 1.890 178.200 176.300 0.016 0.000 0.994 166 D CA 1.248 55.260 54.000 0.020 0.000 0.830 166 D CB -0.281 40.538 40.800 0.030 0.000 0.959 166 D HN 0.463 nan 8.370 nan 0.000 0.452 167 L N 0.323 121.551 121.223 0.009 0.000 2.240 167 L HA -0.030 4.310 4.340 0.000 0.000 0.211 167 L C 2.407 179.273 176.870 -0.007 0.000 1.106 167 L CA 0.525 55.362 54.840 -0.004 0.000 0.793 167 L CB -0.193 41.857 42.059 -0.015 0.000 0.927 167 L HN -0.032 nan 8.230 nan 0.000 0.446 168 K N 0.929 121.328 120.400 -0.002 0.000 2.097 168 K HA -0.171 4.149 4.320 0.000 0.000 0.206 168 K C 2.139 178.740 176.600 0.002 0.000 1.049 168 K CA 1.248 57.534 56.287 -0.001 0.000 0.933 168 K CB -0.022 32.479 32.500 0.001 0.000 0.717 168 K HN 0.244 nan 8.250 nan 0.000 0.442 169 A N 0.627 123.451 122.820 0.006 0.000 1.902 169 A HA -0.117 4.203 4.320 0.000 0.000 0.217 169 A C 2.206 179.795 177.584 0.008 0.000 1.181 169 A CA 1.666 53.709 52.037 0.009 0.000 0.623 169 A CB -0.618 18.390 19.000 0.012 0.000 0.818 169 A HN 0.174 nan 8.150 nan 0.000 0.443 170 V N -0.320 119.596 119.914 0.004 0.000 2.295 170 V HA -0.311 3.809 4.120 0.000 0.000 0.246 170 V C 2.680 178.768 176.094 -0.011 0.000 1.049 170 V CA 2.282 64.580 62.300 -0.004 0.000 1.024 170 V CB -0.818 30.998 31.823 -0.011 0.000 0.648 170 V HN 0.696 nan 8.190 nan 0.000 0.447 171 Q N -0.467 119.324 119.800 -0.014 0.000 2.096 171 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 171 Q C 2.040 178.042 176.000 0.003 0.000 0.982 171 Q CA 2.002 57.797 55.803 -0.015 0.000 0.850 171 Q CB -0.116 28.613 28.738 -0.016 0.000 0.901 171 Q HN 0.634 nan 8.270 nan 0.000 0.422 172 D N -0.018 120.387 120.400 0.009 0.000 2.117 172 D HA -0.157 4.483 4.640 0.000 0.000 0.197 172 D C 1.726 178.046 176.300 0.034 0.000 0.987 172 D CA 1.144 55.156 54.000 0.019 0.000 0.829 172 D CB -0.056 40.755 40.800 0.017 0.000 0.961 172 D HN 0.052 nan 8.370 nan 0.000 0.460 173 K N 0.516 120.935 120.400 0.031 0.000 2.057 173 K HA -0.077 4.243 4.320 0.000 0.000 0.206 173 K C 1.969 178.614 176.600 0.074 0.000 1.050 173 K CA 0.496 56.812 56.287 0.047 0.000 0.935 173 K CB -0.532 31.983 32.500 0.026 0.000 0.715 173 K HN 0.018 nan 8.250 nan 0.000 0.439 174 L N 1.193 122.441 121.223 0.043 0.000 2.083 174 L HA -0.100 4.240 4.340 0.000 0.000 0.209 174 L C 2.095 179.039 176.870 0.125 0.000 1.083 174 L CA 1.837 56.716 54.840 0.065 0.000 0.752 174 L CB -0.439 41.609 42.059 -0.019 0.000 0.899 174 L HN 0.166 nan 8.230 nan 0.000 0.433 175 K N -1.518 118.926 120.400 0.074 0.000 2.057 175 K HA -0.153 4.167 4.320 0.000 0.000 0.207 175 K C 1.905 178.557 176.600 0.087 0.000 1.049 175 K CA 1.818 58.145 56.287 0.066 0.000 0.931 175 K CB -0.153 32.368 32.500 0.036 0.000 0.714 175 K HN 0.364 nan 8.250 nan 0.000 0.440 176 T N 0.694 115.306 114.554 0.096 0.000 2.720 176 T HA -0.174 4.176 4.350 0.000 0.000 0.268 176 T C 1.375 176.153 174.700 0.129 0.000 1.037 176 T CA 1.481 63.638 62.100 0.094 0.000 1.144 176 T CB -0.350 68.572 68.868 0.089 0.000 0.864 176 T HN 0.266 nan 8.240 nan 0.000 0.444 177 F N 1.624 121.594 119.950 0.033 0.000 2.075 177 F HA -0.147 4.380 4.527 0.000 0.000 0.297 177 F C 2.294 178.126 175.800 0.052 0.000 1.113 177 F CA 1.097 59.128 58.000 0.051 0.000 1.218 177 F CB -0.490 38.557 39.000 0.078 0.000 0.984 177 F HN -0.108 nan 8.300 nan 0.000 0.472 178 V N 0.485 120.503 119.914 0.174 0.000 2.407 178 V HA -0.290 3.830 4.120 0.000 0.000 0.248 178 V C 2.069 178.148 176.094 -0.024 0.000 1.055 178 V CA 2.273 64.607 62.300 0.057 0.000 1.049 178 V CB -0.719 31.171 31.823 0.113 0.000 0.662 178 V HN 0.370 nan 8.190 nan 0.000 0.455 179 E N 0.190 120.389 120.200 -0.001 0.000 2.338 179 E HA -0.159 4.191 4.350 0.000 0.000 0.197 179 E C 2.174 178.750 176.600 -0.041 0.000 1.007 179 E CA 1.381 57.773 56.400 -0.013 0.000 0.849 179 E CB -0.174 29.529 29.700 0.005 0.000 0.774 179 E HN 0.835 nan 8.360 nan 0.000 0.506 180 T N -2.955 111.551 114.554 -0.080 0.000 3.035 180 T HA 0.044 4.394 4.350 0.000 0.000 0.268 180 T C 1.743 176.376 174.700 -0.112 0.000 1.109 180 T CA 0.692 62.733 62.100 -0.100 0.000 1.119 180 T CB 0.043 68.829 68.868 -0.137 0.000 0.900 180 T HN 0.270 nan 8.240 nan 0.000 0.503 181 G N 1.178 109.906 108.800 -0.121 0.000 2.189 181 G HA2 -0.283 3.677 3.960 0.000 0.000 0.267 181 G HA3 -0.283 3.677 3.960 0.000 0.000 0.267 181 G C 0.080 174.901 174.900 -0.133 0.000 0.975 181 G CA 0.304 45.344 45.100 -0.100 0.000 0.644 181 G HN 0.664 nan 8.290 nan 0.000 0.537 182 Q N 0.187 119.859 119.800 -0.215 0.000 2.571 182 Q HA 0.556 4.896 4.340 0.000 0.000 0.222 182 Q C 1.544 177.302 176.000 -0.403 0.000 1.167 182 Q CA -0.462 55.196 55.803 -0.242 0.000 0.966 182 Q CB 0.394 29.004 28.738 -0.213 0.000 1.274 182 Q HN 0.503 nan 8.270 nan 0.000 0.552 183 L N 0.681 121.785 121.223 -0.198 0.000 2.478 183 L HA 0.013 4.353 4.340 0.000 0.000 0.223 183 L C 1.391 178.344 176.870 0.138 0.000 1.140 183 L CA 0.476 55.303 54.840 -0.021 0.000 0.842 183 L CB -0.744 41.392 42.059 0.128 0.000 0.953 183 L HN 0.886 nan 8.230 nan 0.000 0.452 184 G N 1.458 110.269 108.800 0.018 0.000 2.629 184 G HA2 -0.339 3.621 3.960 0.000 0.000 0.313 184 G HA3 -0.339 3.621 3.960 0.000 0.000 0.313 184 G C -1.395 173.467 174.900 -0.064 0.000 1.217 184 G CA 0.379 45.499 45.100 0.034 0.000 0.994 184 G HN 0.255 nan 8.290 nan 0.000 0.549 185 P HA 0.118 nan 4.420 nan 0.000 0.228 185 P C 1.141 178.202 177.300 -0.399 0.000 1.151 185 P CA 1.191 64.067 63.100 -0.373 0.000 0.770 185 P CB -0.195 31.191 31.700 -0.523 0.000 0.786 186 F N -1.409 118.592 119.950 0.085 0.000 2.727 186 F HA 0.161 4.688 4.527 0.000 0.000 0.302 186 F C 1.048 176.810 175.800 -0.064 0.000 1.097 186 F CA -0.292 57.721 58.000 0.023 0.000 1.330 186 F CB -1.413 37.675 39.000 0.148 0.000 1.084 186 F HN -0.317 nan 8.300 nan 0.000 0.578 187 T N 1.712 116.296 114.554 0.051 0.000 2.871 187 T HA -0.038 4.312 4.350 0.000 0.000 0.296 187 T C 0.724 175.397 174.700 -0.046 0.000 0.998 187 T CA 0.295 62.397 62.100 0.003 0.000 1.162 187 T CB -0.357 68.504 68.868 -0.013 0.000 0.947 187 T HN 0.466 nan 8.240 nan 0.000 0.536 188 N N -0.095 118.574 118.700 -0.052 0.000 2.714 188 N HA -0.203 4.537 4.740 0.000 0.000 0.250 188 N C 0.174 175.606 175.510 -0.130 0.000 1.117 188 N CA -0.023 52.992 53.050 -0.059 0.000 0.719 188 N CB -0.802 37.675 38.487 -0.017 0.000 1.081 188 N HN 0.838 nan 8.380 nan 0.000 0.557 189 A N -0.187 122.460 122.820 -0.288 0.000 2.520 189 A HA 0.060 4.380 4.320 0.000 0.000 0.235 189 A C 0.906 178.236 177.584 -0.423 0.000 1.065 189 A CA 0.122 51.810 52.037 -0.583 0.000 0.764 189 A CB 0.107 18.300 19.000 -1.344 0.000 1.002 189 A HN 0.445 nan 8.150 nan 0.000 0.502 190 Y N 0.753 120.823 120.300 -0.384 0.000 2.403 190 Y HA -0.226 4.324 4.550 0.000 0.000 0.291 190 Y C 1.656 177.445 175.900 -0.186 0.000 1.143 190 Y CA 1.265 59.287 58.100 -0.131 0.000 1.257 190 Y CB -0.269 38.218 38.460 0.045 0.000 0.984 190 Y HN 0.878 nan 8.280 nan 0.000 0.550 191 F N -0.961 118.844 119.950 -0.243 0.000 2.710 191 F HA 0.180 4.707 4.527 0.000 0.000 0.298 191 F C 0.386 176.070 175.800 -0.194 0.000 1.137 191 F CA -0.456 57.222 58.000 -0.536 0.000 1.444 191 F CB -1.117 37.262 39.000 -1.035 0.000 1.111 191 F HN -0.260 nan 8.300 nan 0.000 0.580 192 L N 2.059 123.205 121.223 -0.128 0.000 2.513 192 L HA 0.292 4.632 4.340 0.000 0.000 0.272 192 L C 1.498 178.393 176.870 0.043 0.000 1.187 192 L CA 0.860 55.703 54.840 0.005 0.000 0.895 192 L CB 0.087 42.108 42.059 -0.064 0.000 1.147 192 L HN 0.639 nan 8.230 nan 0.000 0.483 193 G N 1.956 110.793 108.800 0.062 0.000 2.225 193 G HA2 -0.075 3.885 3.960 0.000 0.000 0.254 193 G HA3 -0.075 3.885 3.960 0.000 0.000 0.254 193 G C 0.566 175.505 174.900 0.064 0.000 0.988 193 G CA -0.025 45.105 45.100 0.050 0.000 0.625 193 G HN 1.530 nan 8.290 nan 0.000 0.527 194 G N -1.115 107.740 108.800 0.091 0.000 2.692 194 G HA2 0.410 4.370 3.960 0.000 0.000 0.686 194 G HA3 0.410 4.370 3.960 0.000 0.000 0.686 194 G C -0.900 174.109 174.900 0.181 0.000 1.243 194 G CA 0.444 45.617 45.100 0.122 0.000 0.782 194 G HN 2.025 nan 8.290 nan 0.000 0.625 195 H N 2.812 121.965 119.070 0.139 0.000 3.087 195 H HA 0.455 5.011 4.556 0.000 0.000 0.348 195 H C -1.882 173.614 175.328 0.279 0.000 1.092 195 H CA -0.870 55.301 56.048 0.205 0.000 1.285 195 H CB 2.519 32.445 29.762 0.272 0.000 1.875 195 H HN 0.322 nan 8.280 nan 0.000 0.512 196 P HA -0.033 nan 4.420 nan 0.000 0.222 196 P C 0.837 178.445 177.300 0.514 0.000 1.147 196 P CA 1.129 64.430 63.100 0.336 0.000 0.790 196 P CB 0.161 31.967 31.700 0.176 0.000 0.780 197 A N -1.953 121.233 122.820 0.611 0.000 2.218 197 A HA 0.043 4.363 4.320 0.000 0.000 0.209 197 A C 0.333 177.923 177.584 0.011 0.000 1.168 197 A CA -0.008 52.242 52.037 0.355 0.000 0.804 197 A CB -0.818 18.363 19.000 0.301 0.000 0.834 197 A HN 0.089 nan 8.150 nan 0.000 0.482 198 Y N -0.584 119.838 120.300 0.204 0.000 2.367 198 Y HA 0.376 4.926 4.550 0.000 0.000 0.342 198 Y C 0.488 176.562 175.900 0.289 0.000 0.979 198 Y CA -0.225 57.981 58.100 0.177 0.000 1.161 198 Y CB 0.658 39.227 38.460 0.182 0.000 1.155 198 Y HN 0.285 nan 8.280 nan 0.000 0.503 199 Y N 0.980 121.394 120.300 0.188 0.000 2.462 199 Y HA 0.240 4.790 4.550 0.000 0.000 0.253 199 Y C 0.604 176.474 175.900 -0.050 0.000 1.095 199 Y CA -0.752 57.316 58.100 -0.054 0.000 1.283 199 Y CB -0.145 38.052 38.460 -0.438 0.000 1.138 199 Y HN 0.353 nan 8.280 nan 0.000 0.522 200 L N 2.230 123.559 121.223 0.178 0.000 2.461 200 L HA 0.079 4.419 4.340 0.000 0.000 0.272 200 L C 0.382 177.301 176.870 0.082 0.000 1.197 200 L CA -0.357 54.550 54.840 0.112 0.000 0.836 200 L CB 0.261 42.410 42.059 0.150 0.000 1.105 200 L HN 0.190 nan 8.230 nan 0.000 0.477 201 D N 2.145 122.572 120.400 0.045 0.000 2.377 201 D HA 0.127 4.767 4.640 0.000 0.000 0.245 201 D C -2.101 174.207 176.300 0.013 0.000 1.196 201 D CA -1.871 52.145 54.000 0.027 0.000 0.962 201 D CB 0.258 41.066 40.800 0.013 0.000 1.127 201 D HN 0.140 nan 8.370 nan 0.000 0.471 202 P HA -0.114 nan 4.420 nan 0.000 0.217 202 P C 0.884 178.169 177.300 -0.026 0.000 1.150 202 P CA 1.339 64.427 63.100 -0.019 0.000 0.832 202 P CB 0.166 31.856 31.700 -0.017 0.000 0.787 203 E N -1.181 119.010 120.200 -0.015 0.000 2.072 203 E HA -0.109 4.241 4.350 0.000 0.000 0.191 203 E C 1.968 178.557 176.600 -0.018 0.000 0.985 203 E CA 1.541 57.930 56.400 -0.018 0.000 0.801 203 E CB -1.415 28.279 29.700 -0.010 0.000 0.750 203 E HN 0.206 nan 8.360 nan 0.000 0.452 204 T N 0.398 114.952 114.554 -0.001 0.000 2.821 204 T HA -0.095 4.255 4.350 0.000 0.000 0.267 204 T C 1.483 176.189 174.700 0.011 0.000 1.046 204 T CA 1.338 63.448 62.100 0.017 0.000 1.139 204 T CB -0.388 68.507 68.868 0.044 0.000 0.871 204 T HN 0.205 nan 8.240 nan 0.000 0.454 205 N N 0.850 119.544 118.700 -0.010 0.000 2.104 205 N HA -0.066 4.674 4.740 0.000 0.000 0.190 205 N C 1.700 177.156 175.510 -0.091 0.000 1.024 205 N CA 0.721 53.736 53.050 -0.057 0.000 0.853 205 N CB -0.247 38.180 38.487 -0.100 0.000 1.008 205 N HN 0.145 nan 8.380 nan 0.000 0.424 206 L N 1.178 122.351 121.223 -0.083 0.000 2.046 206 L HA -0.041 4.299 4.340 0.000 0.000 0.208 206 L C 1.714 178.512 176.870 -0.121 0.000 1.077 206 L CA 1.380 56.163 54.840 -0.096 0.000 0.747 206 L CB -0.408 41.607 42.059 -0.073 0.000 0.896 206 L HN 0.199 nan 8.230 nan 0.000 0.432 207 I N -0.201 120.293 120.570 -0.126 0.000 2.163 207 I HA -0.335 3.835 4.170 0.000 0.000 0.243 207 I C 2.606 178.536 176.117 -0.312 0.000 1.085 207 I CA 1.425 62.574 61.300 -0.252 0.000 1.347 207 I CB -0.744 37.167 38.000 -0.147 0.000 1.044 207 I HN 0.373 nan 8.210 nan 0.000 0.408 208 A N 0.099 122.884 122.820 -0.058 0.000 1.933 208 A HA -0.185 4.135 4.320 0.000 0.000 0.218 208 A C 2.377 180.032 177.584 0.117 0.000 1.175 208 A CA 2.350 54.462 52.037 0.125 0.000 0.628 208 A CB -1.039 18.055 19.000 0.155 0.000 0.814 208 A HN 0.405 nan 8.150 nan 0.000 0.444 209 T N 0.272 114.809 114.554 -0.029 0.000 2.777 209 T HA 0.006 4.356 4.350 0.000 0.000 0.266 209 T C 2.253 176.969 174.700 0.026 0.000 1.040 209 T CA 1.470 63.535 62.100 -0.059 0.000 1.141 209 T CB -0.455 68.303 68.868 -0.182 0.000 0.868 209 T HN 0.595 nan 8.240 nan 0.000 0.444 210 A N 1.591 124.386 122.820 -0.043 0.000 1.908 210 A HA -0.217 4.103 4.320 0.000 0.000 0.218 210 A C 2.076 179.742 177.584 0.137 0.000 1.181 210 A CA 1.740 53.778 52.037 0.001 0.000 0.627 210 A CB -0.823 18.125 19.000 -0.087 0.000 0.818 210 A HN 0.511 nan 8.150 nan 0.000 0.445 211 H N -2.675 116.452 119.070 0.095 0.000 2.428 211 H HA -0.052 4.504 4.556 0.000 0.000 0.296 211 H C 1.775 176.989 175.328 -0.190 0.000 1.062 211 H CA 1.025 57.080 56.048 0.011 0.000 1.350 211 H CB -0.765 29.054 29.762 0.096 0.000 1.403 211 H HN 0.741 nan 8.280 nan 0.000 0.533 212 Y N 1.356 121.644 120.300 -0.020 0.000 2.097 212 Y HA -0.250 4.300 4.550 0.000 0.000 0.282 212 Y C 2.235 178.191 175.900 0.093 0.000 1.152 212 Y CA 1.476 59.588 58.100 0.021 0.000 1.136 212 Y CB -0.453 38.103 38.460 0.159 0.000 0.975 212 Y HN 0.047 nan 8.280 nan 0.000 0.498 213 L N 0.172 121.595 121.223 0.333 0.000 2.017 213 L HA -0.221 4.119 4.340 0.000 0.000 0.208 213 L C 2.591 179.492 176.870 0.051 0.000 1.073 213 L CA 1.906 56.855 54.840 0.183 0.000 0.745 213 L CB -0.691 41.453 42.059 0.142 0.000 0.894 213 L HN 0.328 nan 8.230 nan 0.000 0.432 214 E N 0.421 120.658 120.200 0.061 0.000 2.085 214 E HA -0.266 4.084 4.350 0.000 0.000 0.194 214 E C 2.190 178.702 176.600 -0.146 0.000 0.994 214 E CA 1.268 57.678 56.400 0.017 0.000 0.801 214 E CB -0.013 29.774 29.700 0.145 0.000 0.743 214 E HN 0.466 nan 8.360 nan 0.000 0.453 215 A N 0.828 123.522 122.820 -0.212 0.000 2.019 215 A HA -0.133 4.187 4.320 0.000 0.000 0.219 215 A C 2.149 179.642 177.584 -0.152 0.000 1.164 215 A CA 0.887 52.692 52.037 -0.386 0.000 0.644 215 A CB -0.544 18.175 19.000 -0.468 0.000 0.805 215 A HN 0.308 nan 8.150 nan 0.000 0.449 216 L N -1.144 120.012 121.223 -0.112 0.000 2.079 216 L HA -0.216 4.124 4.340 0.000 0.000 0.210 216 L C 2.879 179.645 176.870 -0.173 0.000 1.081 216 L CA 1.571 56.267 54.840 -0.240 0.000 0.752 216 L CB -0.404 41.494 42.059 -0.268 0.000 0.896 216 L HN 0.380 nan 8.230 nan 0.000 0.433 217 R N -0.762 119.647 120.500 -0.152 0.000 2.100 217 R HA -0.046 4.294 4.340 0.000 0.000 0.220 217 R C 2.186 178.385 176.300 -0.169 0.000 1.091 217 R CA 0.531 56.551 56.100 -0.132 0.000 0.986 217 R CB -0.254 29.988 30.300 -0.098 0.000 0.888 217 R HN 0.259 nan 8.270 nan 0.000 0.444 218 L N 2.187 123.245 121.223 -0.276 0.000 2.083 218 L HA -0.210 4.130 4.340 0.000 0.000 0.209 218 L C 2.017 178.741 176.870 -0.242 0.000 1.083 218 L CA 2.049 56.677 54.840 -0.355 0.000 0.752 218 L CB -0.579 41.004 42.059 -0.793 0.000 0.899 218 L HN 0.212 nan 8.230 nan 0.000 0.433 219 Q N -0.762 118.920 119.800 -0.196 0.000 2.226 219 Q HA -0.126 4.214 4.340 0.000 0.000 0.204 219 Q C 1.832 177.876 176.000 0.074 0.000 0.975 219 Q CA 1.859 57.650 55.803 -0.019 0.000 0.866 219 Q CB -1.318 27.395 28.738 -0.042 0.000 0.915 219 Q HN 0.314 nan 8.270 nan 0.000 0.440 220 V N 1.020 120.920 119.914 -0.024 0.000 2.287 220 V HA -0.304 3.816 4.120 0.000 0.000 0.248 220 V C 2.180 178.243 176.094 -0.051 0.000 1.053 220 V CA 2.382 64.659 62.300 -0.038 0.000 1.027 220 V CB -0.557 31.229 31.823 -0.061 0.000 0.646 220 V HN 0.421 nan 8.190 nan 0.000 0.447 221 K N 0.129 120.490 120.400 -0.066 0.000 2.057 221 K HA -0.057 4.263 4.320 0.000 0.000 0.206 221 K C 2.322 178.882 176.600 -0.066 0.000 1.050 221 K CA 1.365 57.606 56.287 -0.077 0.000 0.935 221 K CB -0.445 31.999 32.500 -0.094 0.000 0.715 221 K HN 0.462 nan 8.250 nan 0.000 0.439 222 A N 1.481 124.292 122.820 -0.016 0.000 1.902 222 A HA -0.134 4.186 4.320 0.000 0.000 0.217 222 A C 2.349 179.944 177.584 0.018 0.000 1.181 222 A CA 1.927 53.989 52.037 0.042 0.000 0.623 222 A CB -0.684 18.403 19.000 0.145 0.000 0.818 222 A HN 0.337 nan 8.150 nan 0.000 0.443 223 A N -0.525 122.269 122.820 -0.043 0.000 1.929 223 A HA -0.091 4.229 4.320 0.000 0.000 0.216 223 A C 2.211 179.702 177.584 -0.154 0.000 1.176 223 A CA 1.479 53.368 52.037 -0.246 0.000 0.628 223 A CB -0.479 18.270 19.000 -0.419 0.000 0.816 223 A HN 0.541 nan 8.150 nan 0.000 0.444 224 R N -0.126 120.306 120.500 -0.115 0.000 2.105 224 R HA -0.163 4.177 4.340 0.000 0.000 0.239 224 R C 2.207 178.435 176.300 -0.119 0.000 1.135 224 R CA 1.472 57.509 56.100 -0.105 0.000 0.967 224 R CB -0.427 29.820 30.300 -0.090 0.000 0.861 224 R HN 0.438 nan 8.270 nan 0.000 0.442 225 A N 0.880 123.619 122.820 -0.135 0.000 1.948 225 A HA -0.225 4.096 4.320 0.000 0.000 0.220 225 A C 2.185 179.727 177.584 -0.070 0.000 1.177 225 A CA 1.888 53.819 52.037 -0.177 0.000 0.636 225 A CB -0.472 18.346 19.000 -0.305 0.000 0.815 225 A HN 0.399 nan 8.150 nan 0.000 0.449 226 M N -0.782 118.773 119.600 -0.076 0.000 2.175 226 M HA -0.110 4.370 4.480 0.000 0.000 0.264 226 M C 2.423 178.609 176.300 -0.189 0.000 1.063 226 M CA 1.341 56.569 55.300 -0.119 0.000 1.119 226 M CB -0.327 32.207 32.600 -0.109 0.000 1.377 226 M HN 0.467 nan 8.290 nan 0.000 0.415 227 A N -0.234 122.501 122.820 -0.142 0.000 2.014 227 A HA -0.030 4.290 4.320 0.000 0.000 0.218 227 A C 2.216 179.726 177.584 -0.123 0.000 1.163 227 A CA 0.913 52.881 52.037 -0.116 0.000 0.652 227 A CB -0.784 18.170 19.000 -0.077 0.000 0.808 227 A HN 0.277 nan 8.150 nan 0.000 0.449 228 V N -0.977 118.837 119.914 -0.167 0.000 2.282 228 V HA -0.270 3.850 4.120 0.000 0.000 0.249 228 V C 2.202 178.238 176.094 -0.097 0.000 1.057 228 V CA 2.307 64.501 62.300 -0.176 0.000 1.032 228 V CB -0.871 30.778 31.823 -0.291 0.000 0.645 228 V HN 0.606 nan 8.190 nan 0.000 0.447 229 F N 0.367 120.204 119.950 -0.189 0.000 2.505 229 F HA 0.333 4.860 4.527 0.000 0.000 0.289 229 F C 2.165 177.661 175.800 -0.507 0.000 1.101 229 F CA 0.465 58.263 58.000 -0.336 0.000 1.446 229 F CB -1.073 37.631 39.000 -0.492 0.000 1.123 229 F HN 0.176 nan 8.300 nan 0.000 0.564 230 G N -1.297 107.249 108.800 -0.424 0.000 3.337 230 G HA2 0.424 4.385 3.960 0.000 0.000 0.246 230 G HA3 0.424 4.385 3.960 0.000 0.000 0.246 230 G C 1.221 176.089 174.900 -0.054 0.000 1.131 230 G CA 0.572 45.327 45.100 -0.576 0.000 0.773 230 G HN 0.410 nan 8.290 nan 0.000 0.544 231 A N -0.337 122.473 122.820 -0.017 0.000 2.125 231 A HA -0.155 4.165 4.320 0.000 0.000 0.226 231 A C 0.780 178.379 177.584 0.023 0.000 0.600 231 A CA 1.834 53.899 52.037 0.046 0.000 1.189 231 A CB -1.628 17.439 19.000 0.112 0.000 1.399 231 A HN 1.389 nan 8.150 nan 0.000 0.704 232 K N -0.805 119.608 120.400 0.021 0.000 2.660 232 K HA 0.605 4.925 4.320 0.000 0.000 0.285 232 K C -1.156 175.447 176.600 0.005 0.000 0.997 232 K CA -0.078 56.215 56.287 0.010 0.000 0.861 232 K CB 0.869 33.389 32.500 0.033 0.000 1.469 232 K HN 0.839 nan 8.250 nan 0.000 0.395 233 N N 1.409 120.089 118.700 -0.033 0.000 2.397 233 N HA 0.469 5.209 4.740 0.000 0.000 0.291 233 N C -2.747 172.712 175.510 -0.084 0.000 1.065 233 N CA -1.074 51.940 53.050 -0.060 0.000 0.884 233 N CB 1.829 40.244 38.487 -0.120 0.000 1.551 233 N HN 0.501 nan 8.380 nan 0.000 0.487 234 P HA 0.317 nan 4.420 nan 0.000 0.276 234 P C -1.332 175.958 177.300 -0.016 0.000 1.252 234 P CA 0.141 63.159 63.100 -0.137 0.000 0.802 234 P CB 0.360 31.861 31.700 -0.331 0.000 1.035 235 H N -2.068 117.049 119.070 0.079 0.000 3.398 235 H HA -0.086 4.470 4.556 0.000 0.000 0.352 235 H C 0.063 175.474 175.328 0.138 0.000 1.083 235 H CA -0.106 56.011 56.048 0.115 0.000 1.109 235 H CB -1.389 28.424 29.762 0.085 0.000 1.546 235 H HN 0.613 nan 8.280 nan 0.000 0.385 236 T N 0.247 114.992 114.554 0.318 0.000 2.795 236 T HA 0.127 4.477 4.350 0.000 0.000 0.314 236 T C 0.669 175.566 174.700 0.328 0.000 1.069 236 T CA -0.213 62.075 62.100 0.312 0.000 1.071 236 T CB 2.002 71.105 68.868 0.391 0.000 0.988 236 T HN 0.659 nan 8.240 nan 0.000 0.543 237 Q N 0.788 120.808 119.800 0.366 0.000 3.712 237 Q HA 0.372 4.712 4.340 0.000 0.000 0.242 237 Q C -0.793 175.406 176.000 0.332 0.000 0.837 237 Q CA -0.535 55.440 55.803 0.287 0.000 0.826 237 Q CB 0.130 28.988 28.738 0.201 0.000 1.529 237 Q HN 0.873 nan 8.270 nan 0.000 0.405 238 F N -2.246 117.763 119.950 0.097 0.000 2.974 238 F HA 0.376 4.903 4.527 0.000 0.000 0.357 238 F C 0.094 175.931 175.800 0.061 0.000 1.114 238 F CA -0.375 57.665 58.000 0.065 0.000 1.099 238 F CB 0.418 39.436 39.000 0.031 0.000 1.205 238 F HN -0.003 nan 8.300 nan 0.000 0.535 239 T N 1.615 115.822 114.554 -0.579 0.000 2.875 239 T HA 0.719 5.069 4.350 0.000 0.000 0.284 239 T C -0.281 174.309 174.700 -0.183 0.000 0.995 239 T CA -0.207 61.595 62.100 -0.497 0.000 1.060 239 T CB 2.066 70.608 68.868 -0.543 0.000 0.967 239 T HN 0.555 nan 8.240 nan 0.000 0.476 240 V N -0.773 119.064 119.914 -0.127 0.000 3.159 240 V HA 0.708 4.828 4.120 0.000 0.000 0.308 240 V C -0.066 175.968 176.094 -0.099 0.000 1.190 240 V CA -1.455 60.824 62.300 -0.034 0.000 1.037 240 V CB 1.409 33.279 31.823 0.079 0.000 1.060 240 V HN 0.808 nan 8.190 nan 0.000 0.437 241 V N 2.499 122.331 119.914 -0.137 0.000 2.617 241 V HA 0.445 4.565 4.120 0.000 0.000 0.304 241 V C 1.735 177.655 176.094 -0.291 0.000 1.040 241 V CA 1.884 63.932 62.300 -0.421 0.000 1.149 241 V CB -0.120 31.131 31.823 -0.953 0.000 0.914 241 V HN 2.001 nan 8.190 nan 0.000 0.487 242 G N 2.742 111.376 108.800 -0.276 0.000 2.217 242 G HA2 0.078 4.038 3.960 0.000 0.000 0.246 242 G HA3 0.078 4.038 3.960 0.000 0.000 0.246 242 G C 0.682 175.592 174.900 0.017 0.000 0.990 242 G CA 0.101 45.186 45.100 -0.025 0.000 0.627 242 G HN 1.970 nan 8.290 nan 0.000 0.522 243 G N -1.913 106.868 108.800 -0.033 0.000 2.530 243 G HA2 0.588 4.548 3.960 0.000 0.000 0.081 243 G HA3 0.588 4.548 3.960 0.000 0.000 0.081 243 G C -0.286 174.576 174.900 -0.063 0.000 1.062 243 G CA 1.210 46.290 45.100 -0.033 0.000 1.108 243 G HN 1.953 nan 8.290 nan 0.000 0.466 244 V N -2.590 117.295 119.914 -0.048 0.000 3.160 244 V HA 0.878 4.998 4.120 0.000 0.000 0.310 244 V C 0.847 176.910 176.094 -0.051 0.000 1.181 244 V CA 0.780 63.058 62.300 -0.036 0.000 1.047 244 V CB 1.278 33.144 31.823 0.071 0.000 1.068 244 V HN 1.759 nan 8.190 nan 0.000 0.441 245 T N -2.848 111.711 114.554 0.009 0.000 2.985 245 T HA 0.079 4.430 4.350 0.000 0.000 0.254 245 T C 0.774 175.451 174.700 -0.040 0.000 1.021 245 T CA 0.788 62.891 62.100 0.005 0.000 0.957 245 T CB -0.697 68.238 68.868 0.113 0.000 1.047 245 T HN 1.451 nan 8.240 nan 0.000 0.511 246 C N 2.109 121.395 119.300 -0.023 0.000 2.400 246 C HA 0.545 5.005 4.460 0.000 0.000 0.457 246 C C 1.376 176.327 174.990 -0.067 0.000 1.020 246 C CA -1.596 57.435 59.018 0.023 0.000 1.258 246 C CB -2.651 25.131 27.740 0.070 0.000 1.532 246 C HN 0.407 nan 8.230 nan 0.000 0.537 247 Y N 0.516 120.856 120.300 0.067 0.000 2.256 247 Y HA -0.183 4.367 4.550 0.000 0.000 0.288 247 Y C 2.260 178.187 175.900 0.045 0.000 1.155 247 Y CA 2.177 60.307 58.100 0.050 0.000 1.203 247 Y CB -0.217 38.271 38.460 0.046 0.000 0.980 247 Y HN 0.575 nan 8.280 nan 0.000 0.530 248 D N -0.297 120.209 120.400 0.177 0.000 2.310 248 D HA -0.098 4.542 4.640 0.000 0.000 0.212 248 D C 2.039 178.412 176.300 0.122 0.000 0.965 248 D CA 0.894 54.977 54.000 0.138 0.000 0.879 248 D CB -0.151 40.727 40.800 0.129 0.000 0.921 248 D HN 0.282 nan 8.370 nan 0.000 0.510 249 A N -0.267 122.596 122.820 0.071 0.000 2.121 249 A HA -0.026 4.294 4.320 0.000 0.000 0.218 249 A C 2.110 179.681 177.584 -0.023 0.000 1.154 249 A CA 0.490 52.512 52.037 -0.025 0.000 0.679 249 A CB -0.496 18.264 19.000 -0.399 0.000 0.795 249 A HN 0.351 nan 8.150 nan 0.000 0.458 250 L N 0.348 121.585 121.223 0.023 0.000 2.478 250 L HA 0.006 4.346 4.340 0.000 0.000 0.223 250 L C 1.389 178.247 176.870 -0.019 0.000 1.140 250 L CA 0.645 55.480 54.840 -0.008 0.000 0.842 250 L CB -0.629 41.448 42.059 0.029 0.000 0.953 250 L HN 0.497 nan 8.230 nan 0.000 0.452 251 T N -3.621 110.957 114.554 0.040 0.000 2.910 251 T HA 0.180 4.530 4.350 0.000 0.000 0.293 251 T C -1.688 173.036 174.700 0.039 0.000 1.015 251 T CA -1.777 60.347 62.100 0.040 0.000 1.094 251 T CB 1.242 70.148 68.868 0.063 0.000 0.968 251 T HN -0.169 nan 8.240 nan 0.000 0.521 252 P HA -0.099 nan 4.420 nan 0.000 0.218 252 P C 1.367 178.701 177.300 0.056 0.000 1.148 252 P CA 1.057 64.170 63.100 0.021 0.000 0.822 252 P CB 0.084 31.788 31.700 0.006 0.000 0.784 253 Q N -0.814 119.022 119.800 0.060 0.000 2.046 253 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 253 Q C 2.381 178.439 176.000 0.096 0.000 0.975 253 Q CA 1.313 57.155 55.803 0.065 0.000 0.836 253 Q CB -0.532 28.237 28.738 0.052 0.000 0.896 253 Q HN 0.101 nan 8.270 nan 0.000 0.428 254 R N 0.262 120.841 120.500 0.132 0.000 2.075 254 R HA -0.000 4.340 4.340 0.000 0.000 0.232 254 R C 2.248 178.711 176.300 0.271 0.000 1.126 254 R CA 1.054 57.270 56.100 0.193 0.000 0.963 254 R CB -0.610 29.849 30.300 0.265 0.000 0.858 254 R HN 0.360 nan 8.270 nan 0.000 0.435 255 I N 0.653 121.400 120.570 0.295 0.000 2.226 255 I HA -0.256 3.914 4.170 0.000 0.000 0.245 255 I C 2.473 178.740 176.117 0.249 0.000 1.100 255 I CA 1.354 62.856 61.300 0.336 0.000 1.374 255 I CB -0.403 37.712 38.000 0.192 0.000 1.057 255 I HN 0.085 nan 8.210 nan 0.000 0.413 256 A N 0.119 123.034 122.820 0.157 0.000 1.933 256 A HA -0.261 4.059 4.320 0.000 0.000 0.218 256 A C 2.326 179.974 177.584 0.107 0.000 1.175 256 A CA 1.862 53.970 52.037 0.119 0.000 0.628 256 A CB -0.597 18.448 19.000 0.075 0.000 0.814 256 A HN 0.501 nan 8.150 nan 0.000 0.444 257 E N -1.193 119.063 120.200 0.093 0.000 2.051 257 E HA -0.210 4.140 4.350 0.000 0.000 0.192 257 E C 1.809 178.423 176.600 0.024 0.000 0.991 257 E CA 1.344 57.769 56.400 0.043 0.000 0.799 257 E CB -0.287 29.430 29.700 0.027 0.000 0.748 257 E HN 0.586 nan 8.360 nan 0.000 0.449 258 F N 1.956 121.836 119.950 -0.116 0.000 2.091 258 F HA -0.237 4.290 4.527 0.000 0.000 0.299 258 F C 2.319 178.131 175.800 0.019 0.000 1.103 258 F CA 2.301 60.192 58.000 -0.183 0.000 1.228 258 F CB -0.231 38.503 39.000 -0.443 0.000 0.984 258 F HN 0.083 nan 8.300 nan 0.000 0.477 259 E N 0.042 120.373 120.200 0.219 0.000 2.077 259 E HA -0.225 4.125 4.350 0.000 0.000 0.193 259 E C 2.227 178.934 176.600 0.178 0.000 0.989 259 E CA 1.089 57.660 56.400 0.285 0.000 0.800 259 E CB -0.346 29.528 29.700 0.289 0.000 0.746 259 E HN 0.489 nan 8.360 nan 0.000 0.452 260 A N 0.714 123.570 122.820 0.060 0.000 1.898 260 A HA -0.129 4.191 4.320 0.000 0.000 0.216 260 A C 2.161 179.700 177.584 -0.074 0.000 1.181 260 A CA 1.077 53.109 52.037 -0.008 0.000 0.620 260 A CB -0.556 18.438 19.000 -0.010 0.000 0.819 260 A HN 0.297 nan 8.150 nan 0.000 0.442 261 L N -2.406 118.747 121.223 -0.117 0.000 2.056 261 L HA -0.169 4.171 4.340 0.000 0.000 0.207 261 L C 2.507 179.272 176.870 -0.175 0.000 1.078 261 L CA 1.538 56.281 54.840 -0.162 0.000 0.749 261 L CB -0.545 41.390 42.059 -0.207 0.000 0.901 261 L HN 0.782 nan 8.230 nan 0.000 0.433 262 W N 1.547 122.594 121.300 -0.422 0.000 2.335 262 W HA -0.215 4.445 4.660 0.000 0.000 0.311 262 W C 2.414 178.837 176.519 -0.161 0.000 1.213 262 W CA 1.447 58.579 57.345 -0.355 0.000 1.274 262 W CB -0.151 29.025 29.460 -0.473 0.000 1.148 262 W HN -0.113 nan 8.180 nan 0.000 0.498 263 K N 0.002 120.063 120.400 -0.566 0.000 2.057 263 K HA -0.250 4.070 4.320 0.000 0.000 0.207 263 K C 2.084 178.402 176.600 -0.470 0.000 1.049 263 K CA 1.915 57.723 56.287 -0.799 0.000 0.931 263 K CB -0.451 31.798 32.500 -0.418 0.000 0.714 263 K HN 0.315 nan 8.250 nan 0.000 0.440 264 E N 0.111 120.148 120.200 -0.271 0.000 2.106 264 E HA -0.143 4.207 4.350 0.000 0.000 0.192 264 E C 1.603 178.132 176.600 -0.119 0.000 0.984 264 E CA 1.371 57.675 56.400 -0.160 0.000 0.806 264 E CB 0.184 29.816 29.700 -0.112 0.000 0.750 264 E HN 0.175 nan 8.360 nan 0.000 0.458 265 T N 0.836 115.304 114.554 -0.144 0.000 2.708 265 T HA -0.172 4.178 4.350 0.000 0.000 0.266 265 T C 1.779 176.470 174.700 -0.015 0.000 1.037 265 T CA 1.515 63.588 62.100 -0.045 0.000 1.146 265 T CB -0.180 68.672 68.868 -0.026 0.000 0.865 265 T HN 0.160 nan 8.240 nan 0.000 0.435 266 K N 1.092 121.364 120.400 -0.214 0.000 2.057 266 K HA -0.056 4.264 4.320 0.000 0.000 0.207 266 K C 2.479 179.010 176.600 -0.116 0.000 1.049 266 K CA 1.261 57.431 56.287 -0.195 0.000 0.931 266 K CB -0.330 31.874 32.500 -0.494 0.000 0.714 266 K HN 0.271 nan 8.250 nan 0.000 0.440 267 A N 0.677 123.410 122.820 -0.147 0.000 1.908 267 A HA -0.176 4.144 4.320 0.000 0.000 0.218 267 A C 2.008 179.584 177.584 -0.014 0.000 1.181 267 A CA 1.418 53.403 52.037 -0.087 0.000 0.627 267 A CB -0.833 18.110 19.000 -0.097 0.000 0.818 267 A HN 0.531 nan 8.150 nan 0.000 0.445 268 F N 0.544 120.447 119.950 -0.079 0.000 2.134 268 F HA -0.153 4.374 4.527 0.000 0.000 0.299 268 F C 2.263 178.084 175.800 0.036 0.000 1.097 268 F CA 1.854 59.831 58.000 -0.038 0.000 1.264 268 F CB -0.181 38.797 39.000 -0.037 0.000 1.001 268 F HN 0.039 nan 8.300 nan 0.000 0.479 269 V N 0.505 120.540 119.914 0.203 0.000 2.252 269 V HA -0.353 3.767 4.120 0.000 0.000 0.249 269 V C 2.008 178.090 176.094 -0.020 0.000 1.056 269 V CA 2.388 64.802 62.300 0.189 0.000 1.022 269 V CB -0.679 31.273 31.823 0.214 0.000 0.641 269 V HN 0.309 nan 8.190 nan 0.000 0.445 270 D N -0.603 119.767 120.400 -0.052 0.000 2.149 270 D HA -0.091 4.549 4.640 0.000 0.000 0.201 270 D C 2.168 178.392 176.300 -0.126 0.000 0.972 270 D CA 1.097 55.044 54.000 -0.088 0.000 0.835 270 D CB -0.052 40.707 40.800 -0.070 0.000 0.966 270 D HN 0.582 nan 8.370 nan 0.000 0.476 271 E N -0.529 119.575 120.200 -0.160 0.000 2.431 271 E HA 0.064 4.414 4.350 0.000 0.000 0.200 271 E C 1.469 177.908 176.600 -0.268 0.000 0.995 271 E CA 0.064 56.358 56.400 -0.177 0.000 0.915 271 E CB 1.192 30.802 29.700 -0.150 0.000 0.930 271 E HN 0.055 nan 8.360 nan 0.000 0.496 272 V N -0.313 119.341 119.914 -0.434 0.000 3.134 272 V HA -0.072 4.048 4.120 0.000 0.000 0.222 272 V C 1.592 177.518 176.094 -0.281 0.000 1.247 272 V CA 0.293 62.219 62.300 -0.624 0.000 1.281 272 V CB -0.598 30.415 31.823 -1.350 0.000 1.169 272 V HN 0.156 nan 8.190 nan 0.000 0.512 273 Y N 1.741 121.792 120.300 -0.416 0.000 2.089 273 Y HA -0.179 4.371 4.550 0.000 0.000 0.282 273 Y C 2.363 178.096 175.900 -0.277 0.000 1.139 273 Y CA 1.635 59.636 58.100 -0.166 0.000 1.123 273 Y CB -0.532 37.916 38.460 -0.021 0.000 0.980 273 Y HN 0.104 nan 8.280 nan 0.000 0.493 274 I N 0.879 121.234 120.570 -0.359 0.000 2.179 274 I HA -0.194 3.976 4.170 0.000 0.000 0.242 274 I C -0.398 175.559 176.117 -0.266 0.000 1.088 274 I CA 1.364 62.392 61.300 -0.453 0.000 1.357 274 I CB -2.742 35.040 38.000 -0.363 0.000 1.051 274 I HN 0.181 nan 8.210 nan 0.000 0.409 275 P HA -0.111 nan 4.420 nan 0.000 0.217 275 P C 1.144 178.428 177.300 -0.028 0.000 1.150 275 P CA 1.366 64.416 63.100 -0.083 0.000 0.832 275 P CB 0.055 31.723 31.700 -0.053 0.000 0.787 276 D N -0.984 119.434 120.400 0.029 0.000 2.117 276 D HA -0.120 4.520 4.640 0.000 0.000 0.198 276 D C 1.836 178.175 176.300 0.065 0.000 0.982 276 D CA 0.806 54.901 54.000 0.159 0.000 0.828 276 D CB -0.931 40.114 40.800 0.408 0.000 0.967 276 D HN 0.017 nan 8.370 nan 0.000 0.464 277 L N 0.591 121.679 121.223 -0.225 0.000 2.042 277 L HA -0.143 4.197 4.340 0.000 0.000 0.210 277 L C 2.025 178.798 176.870 -0.161 0.000 1.076 277 L CA 1.554 56.185 54.840 -0.349 0.000 0.749 277 L CB -0.567 41.097 42.059 -0.658 0.000 0.893 277 L HN 0.035 nan 8.230 nan 0.000 0.432 278 L N -2.040 119.097 121.223 -0.145 0.000 2.109 278 L HA -0.138 4.202 4.340 0.000 0.000 0.207 278 L C 2.529 179.377 176.870 -0.038 0.000 1.086 278 L CA 0.747 55.529 54.840 -0.097 0.000 0.760 278 L CB -0.590 41.409 42.059 -0.099 0.000 0.910 278 L HN 0.141 nan 8.230 nan 0.000 0.437 279 V N -0.532 119.380 119.914 -0.003 0.000 2.427 279 V HA -0.204 3.916 4.120 0.000 0.000 0.248 279 V C 2.350 178.477 176.094 0.054 0.000 1.051 279 V CA 1.357 63.675 62.300 0.030 0.000 1.048 279 V CB 0.376 32.230 31.823 0.052 0.000 0.666 279 V HN 0.175 nan 8.190 nan 0.000 0.456 280 V N 0.181 120.137 119.914 0.070 0.000 2.358 280 V HA -0.182 3.938 4.120 0.000 0.000 0.246 280 V C 2.705 178.835 176.094 0.060 0.000 1.047 280 V CA 1.865 64.213 62.300 0.079 0.000 1.035 280 V CB -1.110 30.704 31.823 -0.015 0.000 0.658 280 V HN 0.587 nan 8.190 nan 0.000 0.452 281 A N 0.195 122.999 122.820 -0.027 0.000 1.908 281 A HA -0.147 4.173 4.320 0.000 0.000 0.218 281 A C 2.419 180.032 177.584 0.050 0.000 1.181 281 A CA 2.148 54.176 52.037 -0.014 0.000 0.627 281 A CB -0.792 18.170 19.000 -0.063 0.000 0.818 281 A HN 0.575 nan 8.150 nan 0.000 0.445 282 A N -0.353 122.482 122.820 0.025 0.000 1.972 282 A HA 0.191 4.511 4.320 0.000 0.000 0.219 282 A C 2.396 179.999 177.584 0.032 0.000 1.169 282 A CA 1.913 53.962 52.037 0.020 0.000 0.635 282 A CB -0.796 18.204 19.000 0.001 0.000 0.810 282 A HN 1.066 nan 8.150 nan 0.000 0.446 283 A N -2.359 120.482 122.820 0.036 0.000 2.067 283 A HA 0.129 4.449 4.320 0.000 0.000 0.217 283 A C 1.161 178.701 177.584 -0.072 0.000 1.156 283 A CA 0.758 52.768 52.037 -0.046 0.000 0.683 283 A CB -0.383 18.561 19.000 -0.094 0.000 0.808 283 A HN 0.552 nan 8.150 nan 0.000 0.455 284 Y N -0.705 119.688 120.300 0.156 0.000 2.736 284 Y HA 0.264 4.814 4.550 0.000 0.000 0.293 284 Y C 1.416 177.481 175.900 0.275 0.000 1.062 284 Y CA -0.460 57.808 58.100 0.281 0.000 1.247 284 Y CB 0.383 38.858 38.460 0.025 0.000 1.200 284 Y HN 0.146 nan 8.280 nan 0.000 0.552 285 K N 0.562 121.115 120.400 0.256 0.000 2.280 285 K HA -0.167 4.153 4.320 0.000 0.000 0.202 285 K C 1.392 178.069 176.600 0.127 0.000 1.047 285 K CA 1.472 57.849 56.287 0.150 0.000 0.942 285 K CB 0.067 32.603 32.500 0.060 0.000 0.739 285 K HN 0.565 nan 8.250 nan 0.000 0.457 286 D N -0.410 120.098 120.400 0.180 0.000 2.265 286 D HA -0.210 4.430 4.640 0.000 0.000 0.208 286 D C 1.046 177.219 176.300 -0.211 0.000 0.977 286 D CA 0.828 54.833 54.000 0.009 0.000 0.871 286 D CB -0.629 40.242 40.800 0.119 0.000 0.925 286 D HN 0.266 nan 8.370 nan 0.000 0.485 287 W N 1.780 123.115 121.300 0.059 0.000 2.961 287 W HA 0.051 4.711 4.660 0.000 0.000 0.240 287 W C 2.051 178.536 176.519 -0.056 0.000 1.305 287 W CA 1.208 58.584 57.345 0.053 0.000 1.465 287 W CB -0.377 29.154 29.460 0.117 0.000 1.135 287 W HN 0.092 nan 8.180 nan 0.000 0.688 288 T N -3.048 111.500 114.554 -0.010 0.000 3.072 288 T HA -0.138 4.212 4.350 0.000 0.000 0.266 288 T C 1.478 176.072 174.700 -0.176 0.000 1.127 288 T CA 0.848 62.913 62.100 -0.060 0.000 1.107 288 T CB 0.035 68.872 68.868 -0.052 0.000 0.910 288 T HN 0.055 nan 8.240 nan 0.000 0.513 289 Q N -0.030 119.488 119.800 -0.470 0.000 2.356 289 Q HA 0.247 4.587 4.340 0.000 0.000 0.205 289 Q C -0.746 174.893 176.000 -0.601 0.000 0.901 289 Q CA 0.289 55.733 55.803 -0.598 0.000 0.938 289 Q CB 0.391 28.610 28.738 -0.867 0.000 1.081 289 Q HN 0.673 nan 8.270 nan 0.000 0.517 290 Y N -0.972 119.259 120.300 -0.116 0.000 2.536 290 Y HA 0.553 5.103 4.550 0.000 0.000 0.347 290 Y C 1.153 177.092 175.900 0.066 0.000 1.000 290 Y CA -1.178 56.864 58.100 -0.095 0.000 1.051 290 Y CB 1.383 39.638 38.460 -0.341 0.000 1.259 290 Y HN 0.094 nan 8.280 nan 0.000 0.468 291 G N 0.271 109.238 108.800 0.279 0.000 2.160 291 G HA2 -0.118 3.843 3.960 0.000 0.000 0.244 291 G HA3 -0.118 3.843 3.960 0.000 0.000 0.244 291 G C 0.363 175.406 174.900 0.238 0.000 1.022 291 G CA -0.060 45.203 45.100 0.271 0.000 0.741 291 G HN 1.177 nan 8.290 nan 0.000 0.508 292 G N -0.647 108.284 108.800 0.218 0.000 2.569 292 G HA2 0.765 4.725 3.960 0.000 0.000 0.249 292 G HA3 0.765 4.725 3.960 0.000 0.000 0.249 292 G C 0.358 175.399 174.900 0.235 0.000 1.216 292 G CA 0.915 46.161 45.100 0.244 0.000 0.845 292 G HN 1.524 nan 8.290 nan 0.000 0.568 293 T N -2.184 112.530 114.554 0.265 0.000 2.841 293 T HA 0.499 4.849 4.350 0.000 0.000 0.296 293 T C -0.233 174.510 174.700 0.071 0.000 1.166 293 T CA -0.730 61.451 62.100 0.136 0.000 1.007 293 T CB 2.416 71.337 68.868 0.089 0.000 1.253 293 T HN 0.237 nan 8.240 nan 0.000 0.511 294 D N 0.254 120.605 120.400 -0.082 0.000 2.338 294 D HA 0.179 4.819 4.640 0.000 0.000 0.224 294 D C 0.023 176.233 176.300 -0.150 0.000 0.967 294 D CA 0.642 54.608 54.000 -0.057 0.000 0.896 294 D CB 0.221 41.008 40.800 -0.021 0.000 1.028 294 D HN 0.501 nan 8.370 nan 0.000 0.493 295 N N 0.026 118.459 118.700 -0.445 0.000 2.240 295 N HA 0.413 5.153 4.740 0.000 0.000 0.302 295 N C -1.140 173.845 175.510 -0.875 0.000 1.106 295 N CA -0.377 52.425 53.050 -0.413 0.000 0.778 295 N CB 2.051 40.454 38.487 -0.140 0.000 1.431 295 N HN -0.130 nan 8.380 nan 0.000 0.479 296 F N 0.564 120.401 119.950 -0.189 0.000 2.569 296 F HA 0.584 5.111 4.527 0.000 0.000 0.312 296 F C -0.136 175.453 175.800 -0.352 0.000 1.109 296 F CA -0.811 57.085 58.000 -0.173 0.000 0.919 296 F CB 2.140 41.126 39.000 -0.023 0.000 1.211 296 F HN 0.220 nan 8.300 nan 0.000 0.446 297 I N 1.397 121.805 120.570 -0.269 0.000 2.686 297 I HA 0.706 4.876 4.170 0.000 0.000 0.295 297 I C -1.188 174.641 176.117 -0.480 0.000 1.114 297 I CA -0.001 61.012 61.300 -0.480 0.000 1.038 297 I CB 2.304 39.843 38.000 -0.769 0.000 1.238 297 I HN 0.638 nan 8.210 nan 0.000 0.420 298 T N 5.402 119.690 114.554 -0.443 0.000 2.932 298 T HA 0.486 4.836 4.350 0.000 0.000 0.318 298 T C -0.149 174.386 174.700 -0.275 0.000 1.265 298 T CA -0.314 61.544 62.100 -0.403 0.000 1.036 298 T CB 0.995 69.734 68.868 -0.216 0.000 1.209 298 T HN 0.475 nan 8.240 nan 0.000 0.484 299 F N 1.723 121.438 119.950 -0.393 0.000 2.721 299 F HA 0.403 4.930 4.527 0.000 0.000 0.301 299 F C 1.666 177.329 175.800 -0.229 0.000 1.096 299 F CA -0.146 57.584 58.000 -0.449 0.000 1.308 299 F CB 0.704 39.471 39.000 -0.390 0.000 1.086 299 F HN 0.933 nan 8.300 nan 0.000 0.587 300 G N 1.949 110.786 108.800 0.062 0.000 2.733 300 G HA2 -0.063 3.897 3.960 0.000 0.000 0.686 300 G HA3 -0.063 3.897 3.960 0.000 0.000 0.686 300 G C -1.299 173.669 174.900 0.114 0.000 1.373 300 G CA -0.702 44.467 45.100 0.115 0.000 0.838 300 G HN 0.237 nan 8.290 nan 0.000 0.588 301 E N -1.016 119.284 120.200 0.167 0.000 2.407 301 E HA 0.698 5.048 4.350 0.000 0.000 0.279 301 E C -0.279 176.341 176.600 0.034 0.000 1.012 301 E CA -0.537 55.827 56.400 -0.061 0.000 0.800 301 E CB 0.719 30.257 29.700 -0.270 0.000 1.276 301 E HN 1.657 nan 8.360 nan 0.000 0.452 302 F N 0.488 120.561 119.950 0.204 0.000 2.561 302 F HA -0.131 4.396 4.527 0.000 0.000 0.427 302 F C -2.137 173.755 175.800 0.153 0.000 1.139 302 F CA 0.110 58.225 58.000 0.192 0.000 1.360 302 F CB -1.023 38.135 39.000 0.264 0.000 1.972 302 F HN 0.224 nan 8.300 nan 0.000 0.767 303 P HA 0.104 nan 4.420 nan 0.000 0.274 303 P C 0.275 177.629 177.300 0.089 0.000 1.231 303 P CA -0.264 62.906 63.100 0.117 0.000 0.790 303 P CB 1.345 33.075 31.700 0.050 0.000 0.951 304 K N 0.406 120.853 120.400 0.079 0.000 2.211 304 K HA 0.036 4.356 4.320 0.000 0.000 0.201 304 K C 0.282 176.894 176.600 0.019 0.000 1.052 304 K CA 0.995 57.299 56.287 0.028 0.000 0.973 304 K CB 0.097 32.633 32.500 0.060 0.000 0.766 304 K HN 0.515 nan 8.250 nan 0.000 0.466 305 D N 0.786 121.220 120.400 0.057 0.000 2.549 305 D HA 0.077 4.717 4.640 0.000 0.000 0.251 305 D C 0.465 176.823 176.300 0.097 0.000 1.153 305 D CA -0.109 53.949 54.000 0.096 0.000 0.861 305 D CB 1.308 42.177 40.800 0.115 0.000 1.207 305 D HN -0.186 nan 8.370 nan 0.000 0.543 306 E N 2.519 122.780 120.200 0.102 0.000 2.333 306 E HA -0.154 4.196 4.350 0.000 0.000 0.198 306 E C 0.372 176.895 176.600 -0.128 0.000 1.007 306 E CA 0.829 57.218 56.400 -0.019 0.000 0.845 306 E CB 0.155 29.809 29.700 -0.077 0.000 0.766 306 E HN 0.618 nan 8.360 nan 0.000 0.507 307 Y N -0.143 120.148 120.300 -0.015 0.000 2.485 307 Y HA 0.158 4.708 4.550 0.000 0.000 0.260 307 Y C 0.220 176.144 175.900 0.039 0.000 1.173 307 Y CA -0.366 57.738 58.100 0.007 0.000 1.252 307 Y CB 0.759 39.239 38.460 0.033 0.000 1.123 307 Y HN -0.188 nan 8.280 nan 0.000 0.524 308 D N -0.104 120.378 120.400 0.136 0.000 2.402 308 D HA 0.231 4.871 4.640 0.000 0.000 0.252 308 D C 0.588 176.923 176.300 0.058 0.000 1.294 308 D CA -0.134 53.924 54.000 0.097 0.000 0.948 308 D CB 0.823 41.684 40.800 0.102 0.000 1.202 308 D HN 0.090 nan 8.370 nan 0.000 0.561 309 L N 2.700 123.940 121.223 0.029 0.000 2.127 309 L HA -0.122 4.218 4.340 0.000 0.000 0.211 309 L C 1.409 178.300 176.870 0.035 0.000 1.089 309 L CA 0.984 55.830 54.840 0.009 0.000 0.757 309 L CB -0.300 41.730 42.059 -0.049 0.000 0.899 309 L HN 0.380 nan 8.230 nan 0.000 0.434 310 N N -0.746 117.978 118.700 0.041 0.000 2.521 310 N HA -0.095 4.646 4.740 0.000 0.000 0.188 310 N C 1.585 177.126 175.510 0.050 0.000 1.146 310 N CA 0.653 53.729 53.050 0.044 0.000 0.893 310 N CB 0.145 38.656 38.487 0.040 0.000 0.975 310 N HN 0.268 nan 8.380 nan 0.000 0.451 311 S N -0.249 115.488 115.700 0.062 0.000 2.575 311 S HA 0.160 4.630 4.470 0.000 0.000 0.215 311 S C 0.635 175.293 174.600 0.096 0.000 0.966 311 S CA -0.448 57.796 58.200 0.072 0.000 0.911 311 S CB 0.264 63.509 63.200 0.075 0.000 0.780 311 S HN 0.105 nan 8.310 nan 0.000 0.514 312 R N 0.095 120.655 120.500 0.100 0.000 2.490 312 R HA 0.343 4.683 4.340 0.000 0.000 0.278 312 R C 0.694 177.087 176.300 0.154 0.000 1.069 312 R CA -0.359 55.831 56.100 0.150 0.000 1.080 312 R CB 0.247 30.627 30.300 0.133 0.000 1.030 312 R HN 0.279 nan 8.270 nan 0.000 0.491 313 F N 1.770 121.720 119.950 -0.001 0.000 2.134 313 F HA -0.052 4.475 4.527 0.000 0.000 0.299 313 F C -0.000 175.659 175.800 -0.234 0.000 1.097 313 F CA 1.210 59.054 58.000 -0.260 0.000 1.264 313 F CB 0.199 38.801 39.000 -0.664 0.000 1.001 313 F HN 0.261 nan 8.300 nan 0.000 0.479 314 F N 1.647 121.668 119.950 0.119 0.000 2.420 314 F HA 0.411 4.939 4.527 0.000 0.000 0.342 314 F C 0.231 176.041 175.800 0.016 0.000 1.113 314 F CA -1.082 56.905 58.000 -0.020 0.000 1.059 314 F CB 0.885 39.880 39.000 -0.008 0.000 1.128 314 F HN -0.356 nan 8.300 nan 0.000 0.475 315 K N 4.318 124.822 120.400 0.174 0.000 2.098 315 K HA 0.417 4.737 4.320 0.000 0.000 0.261 315 K C -2.435 174.206 176.600 0.067 0.000 0.987 315 K CA -1.740 54.605 56.287 0.097 0.000 0.916 315 K CB 0.917 33.454 32.500 0.063 0.000 1.039 315 K HN 0.284 nan 8.250 nan 0.000 0.455 316 P HA 0.184 nan 4.420 nan 0.000 0.274 316 P C -0.414 176.889 177.300 0.005 0.000 1.246 316 P CA -0.229 62.869 63.100 -0.003 0.000 0.795 316 P CB 0.957 32.659 31.700 0.004 0.000 1.006 317 G N -1.381 107.394 108.800 -0.040 0.000 2.368 317 G HA2 0.460 4.420 3.960 0.000 0.000 0.293 317 G HA3 0.460 4.420 3.960 0.000 0.000 0.293 317 G C -2.150 172.663 174.900 -0.146 0.000 1.467 317 G CA -0.453 44.624 45.100 -0.038 0.000 0.804 317 G HN 0.376 nan 8.290 nan 0.000 0.535 318 V N -0.157 119.649 119.914 -0.181 0.000 2.638 318 V HA 0.736 4.856 4.120 0.000 0.000 0.306 318 V C -0.486 175.367 176.094 -0.403 0.000 1.052 318 V CA -0.717 61.351 62.300 -0.386 0.000 0.885 318 V CB 1.743 33.262 31.823 -0.507 0.000 0.999 318 V HN 0.771 nan 8.190 nan 0.000 0.424 319 V N 4.774 124.384 119.914 -0.506 0.000 2.588 319 V HA 0.592 4.712 4.120 0.000 0.000 0.304 319 V C -1.051 174.726 176.094 -0.529 0.000 1.042 319 V CA -0.546 61.456 62.300 -0.497 0.000 0.877 319 V CB 1.922 33.308 31.823 -0.730 0.000 0.996 319 V HN 0.682 nan 8.190 nan 0.000 0.425 320 F N 2.766 122.664 119.950 -0.086 0.000 2.443 320 F HA 0.534 5.061 4.527 0.000 0.000 0.335 320 F C 0.889 176.661 175.800 -0.047 0.000 1.104 320 F CA -1.079 56.900 58.000 -0.035 0.000 1.013 320 F CB 1.552 40.555 39.000 0.005 0.000 1.136 320 F HN 0.484 nan 8.300 nan 0.000 0.470 321 K N 2.762 123.255 120.400 0.156 0.000 3.077 321 K HA -0.279 4.041 4.320 0.000 0.000 0.264 321 K C 0.156 176.774 176.600 0.031 0.000 1.008 321 K CA 0.699 57.031 56.287 0.075 0.000 0.740 321 K CB -1.145 31.397 32.500 0.069 0.000 1.273 321 K HN 0.796 nan 8.250 nan 0.000 0.477 322 R N -1.465 119.068 120.500 0.056 0.000 3.863 322 R HA -0.199 4.141 4.340 0.000 0.000 0.313 322 R C -0.244 176.090 176.300 0.056 0.000 1.202 322 R CA 1.276 57.422 56.100 0.075 0.000 0.852 322 R CB -1.266 28.902 30.300 -0.221 0.000 1.292 322 R HN 0.395 nan 8.270 nan 0.000 0.519 323 D N 0.072 120.423 120.400 -0.081 0.000 2.563 323 D HA 0.109 4.749 4.640 0.000 0.000 0.222 323 D C 0.365 176.609 176.300 -0.093 0.000 1.145 323 D CA -0.295 53.698 54.000 -0.012 0.000 1.001 323 D CB -0.215 40.600 40.800 0.025 0.000 1.049 323 D HN 0.142 nan 8.370 nan 0.000 0.515 324 F N 0.881 120.880 119.950 0.083 0.000 2.748 324 F HA 0.105 4.632 4.527 0.000 0.000 0.299 324 F C 2.152 177.990 175.800 0.063 0.000 1.154 324 F CA 0.411 58.450 58.000 0.066 0.000 1.446 324 F CB 0.234 39.269 39.000 0.057 0.000 1.112 324 F HN 0.145 nan 8.300 nan 0.000 0.584 325 K N -0.227 120.285 120.400 0.186 0.000 2.486 325 K HA 0.026 4.346 4.320 0.000 0.000 0.194 325 K C 0.097 176.751 176.600 0.090 0.000 1.033 325 K CA 0.484 56.849 56.287 0.130 0.000 1.004 325 K CB -0.013 32.550 32.500 0.105 0.000 0.798 325 K HN 0.132 nan 8.250 nan 0.000 0.495 326 N N 1.303 120.043 118.700 0.067 0.000 2.757 326 N HA 0.201 4.941 4.740 0.000 0.000 0.296 326 N C -0.852 174.681 175.510 0.038 0.000 1.874 326 N CA -0.141 52.944 53.050 0.058 0.000 0.885 326 N CB 0.753 39.279 38.487 0.065 0.000 1.242 326 N HN 0.027 nan 8.380 nan 0.000 0.488 327 I N 1.352 121.943 120.570 0.034 0.000 2.533 327 I HA 0.000 4.170 4.170 0.000 0.000 0.284 327 I C 0.635 176.776 176.117 0.040 0.000 1.109 327 I CA 0.159 61.462 61.300 0.006 0.000 1.412 327 I CB 0.478 38.499 38.000 0.034 0.000 1.396 327 I HN -0.201 nan 8.210 nan 0.000 0.543 328 K N 7.989 128.413 120.400 0.040 0.000 2.118 328 K HA 0.467 4.787 4.320 0.000 0.000 0.267 328 K C -2.336 174.317 176.600 0.089 0.000 0.991 328 K CA -1.924 54.425 56.287 0.103 0.000 0.916 328 K CB 0.648 33.274 32.500 0.210 0.000 1.041 328 K HN 0.249 nan 8.250 nan 0.000 0.455 329 P HA 0.031 nan 4.420 nan 0.000 0.272 329 P C -0.430 176.969 177.300 0.166 0.000 1.223 329 P CA -0.312 62.855 63.100 0.110 0.000 0.784 329 P CB 0.307 32.059 31.700 0.087 0.000 0.923 330 F N 2.515 122.460 119.950 -0.009 0.000 2.444 330 F HA 0.244 4.771 4.527 0.000 0.000 0.360 330 F C -0.050 175.798 175.800 0.080 0.000 1.106 330 F CA -0.794 57.198 58.000 -0.014 0.000 1.170 330 F CB -0.058 38.862 39.000 -0.132 0.000 1.113 330 F HN 0.097 nan 8.300 nan 0.000 0.521 331 D N 6.224 126.476 120.400 -0.247 0.000 2.427 331 D HA 0.125 4.765 4.640 0.000 0.000 0.226 331 D C 0.811 176.834 176.300 -0.460 0.000 1.076 331 D CA -0.436 53.385 54.000 -0.297 0.000 0.849 331 D CB 1.120 41.916 40.800 -0.007 0.000 1.052 331 D HN 0.752 nan 8.370 nan 0.000 0.515 332 K N 3.040 123.033 120.400 -0.678 0.000 2.360 332 K HA -0.091 4.229 4.320 0.000 0.000 0.201 332 K C 1.032 177.788 176.600 0.259 0.000 1.046 332 K CA 0.759 56.932 56.287 -0.190 0.000 0.945 332 K CB 0.012 32.565 32.500 0.087 0.000 0.750 332 K HN 0.290 nan 8.250 nan 0.000 0.464 333 M N 0.908 120.567 119.600 0.098 0.000 2.595 333 M HA 0.047 4.527 4.480 0.000 0.000 0.248 333 M C 0.957 177.298 176.300 0.067 0.000 1.119 333 M CA 0.929 56.253 55.300 0.040 0.000 1.079 333 M CB -0.021 32.543 32.600 -0.060 0.000 1.472 333 M HN 0.178 nan 8.290 nan 0.000 0.501 334 Q N 0.263 120.083 119.800 0.032 0.000 2.280 334 Q HA 0.333 4.673 4.340 0.000 0.000 0.201 334 Q C 0.211 176.196 176.000 -0.026 0.000 0.890 334 Q CA 0.110 55.827 55.803 -0.144 0.000 0.947 334 Q CB 0.564 28.971 28.738 -0.552 0.000 1.081 334 Q HN 0.478 nan 8.270 nan 0.000 0.502 335 I N 1.753 122.474 120.570 0.251 0.000 2.371 335 I HA 0.108 4.278 4.170 0.000 0.000 0.290 335 I C 0.251 176.407 176.117 0.065 0.000 1.028 335 I CA 0.169 61.656 61.300 0.312 0.000 1.345 335 I CB 0.718 38.957 38.000 0.398 0.000 1.407 335 I HN -0.149 nan 8.210 nan 0.000 0.501 336 E N 5.844 126.063 120.200 0.032 0.000 2.293 336 E HA 0.404 4.754 4.350 0.000 0.000 0.270 336 E C -1.240 175.282 176.600 -0.130 0.000 0.879 336 E CA -0.851 55.492 56.400 -0.095 0.000 0.756 336 E CB 2.427 32.073 29.700 -0.090 0.000 1.208 336 E HN 0.499 nan 8.360 nan 0.000 0.428 337 E N 2.041 122.106 120.200 -0.224 0.000 2.113 337 E HA 0.233 4.583 4.350 0.000 0.000 0.273 337 E C -0.670 175.811 176.600 -0.198 0.000 0.924 337 E CA -0.442 55.840 56.400 -0.196 0.000 0.764 337 E CB 1.134 30.688 29.700 -0.243 0.000 1.104 337 E HN 0.341 nan 8.360 nan 0.000 0.406 338 H N 1.205 120.193 119.070 -0.136 0.000 2.551 338 H HA 0.126 4.682 4.556 0.000 0.000 0.358 338 H C 0.879 176.149 175.328 -0.097 0.000 1.151 338 H CA -0.106 55.884 56.048 -0.097 0.000 1.374 338 H CB 1.804 31.528 29.762 -0.063 0.000 1.473 338 H HN 0.391 nan 8.280 nan 0.000 0.574 339 V N 0.614 120.533 119.914 0.010 0.000 3.398 339 V HA 0.118 4.238 4.120 0.000 0.000 0.298 339 V C 1.945 178.014 176.094 -0.042 0.000 1.496 339 V CA -0.188 62.120 62.300 0.013 0.000 1.044 339 V CB 0.381 32.223 31.823 0.032 0.000 0.880 339 V HN 0.446 nan 8.190 nan 0.000 0.443 340 R N 1.312 121.764 120.500 -0.080 0.000 2.117 340 R HA -0.121 4.219 4.340 0.000 0.000 0.243 340 R C 1.745 177.786 176.300 -0.432 0.000 1.143 340 R CA 2.247 58.199 56.100 -0.247 0.000 0.968 340 R CB -0.692 29.424 30.300 -0.306 0.000 0.863 340 R HN 0.714 nan 8.270 nan 0.000 0.444 341 H N -0.973 118.013 119.070 -0.140 0.000 2.505 341 H HA 0.398 4.954 4.556 0.000 0.000 0.286 341 H C -0.288 174.690 175.328 -0.584 0.000 1.072 341 H CA -0.024 55.850 56.048 -0.289 0.000 1.141 341 H CB 0.477 30.099 29.762 -0.234 0.000 1.550 341 H HN 0.063 nan 8.280 nan 0.000 0.547 342 S N -0.308 115.174 115.700 -0.362 0.000 2.648 342 S HA 0.180 4.650 4.470 0.000 0.000 0.305 342 S C -0.143 174.188 174.600 -0.447 0.000 1.094 342 S CA -0.788 57.147 58.200 -0.443 0.000 0.983 342 S CB 1.609 64.798 63.200 -0.018 0.000 1.101 342 S HN 0.313 nan 8.310 nan 0.000 0.514 343 W N 2.698 123.631 121.300 -0.611 0.000 1.496 343 W HA 0.382 5.042 4.660 0.000 0.000 0.422 343 W C -0.994 174.970 176.519 -0.925 0.000 0.638 343 W CA -0.670 56.158 57.345 -0.862 0.000 2.105 343 W CB -1.379 27.197 29.460 -1.474 0.000 1.639 343 W HN 0.550 nan 8.180 nan 0.000 0.304 344 Y N -0.789 119.509 120.300 -0.002 0.000 2.605 344 Y HA 0.248 4.798 4.550 0.000 0.000 0.343 344 Y C 0.632 176.528 175.900 -0.007 0.000 1.036 344 Y CA -1.498 56.612 58.100 0.017 0.000 1.065 344 Y CB 1.179 39.645 38.460 0.011 0.000 1.288 344 Y HN -0.088 nan 8.280 nan 0.000 0.481 345 E N 1.108 121.410 120.200 0.170 0.000 2.384 345 E HA 0.358 4.708 4.350 0.000 0.000 0.266 345 E C 0.506 177.136 176.600 0.050 0.000 1.012 345 E CA 0.845 57.293 56.400 0.080 0.000 0.901 345 E CB 0.470 30.212 29.700 0.070 0.000 0.967 345 E HN 0.865 nan 8.360 nan 0.000 0.435 346 G N 2.300 111.109 108.800 0.015 0.000 2.562 346 G HA2 -0.179 3.781 3.960 0.000 0.000 0.250 346 G HA3 -0.179 3.781 3.960 0.000 0.000 0.250 346 G C 0.245 175.130 174.900 -0.024 0.000 1.269 346 G CA -0.092 45.004 45.100 -0.007 0.000 0.919 346 G HN 0.793 nan 8.290 nan 0.000 0.574 347 A N -0.829 121.969 122.820 -0.036 0.000 2.671 347 A HA 0.620 4.940 4.320 0.000 0.000 0.265 347 A C 0.425 177.974 177.584 -0.059 0.000 1.148 347 A CA 1.271 53.277 52.037 -0.052 0.000 0.977 347 A CB 0.310 19.277 19.000 -0.055 0.000 1.242 347 A HN 0.825 nan 8.150 nan 0.000 0.591 348 E N 1.362 121.520 120.200 -0.070 0.000 2.130 348 E HA 0.569 4.919 4.350 0.000 0.000 0.284 348 E C 0.239 176.734 176.600 -0.174 0.000 1.018 348 E CA -0.332 56.007 56.400 -0.102 0.000 0.817 348 E CB 0.966 30.621 29.700 -0.074 0.000 1.078 348 E HN 0.439 nan 8.360 nan 0.000 0.396 349 A N 5.164 127.802 122.820 -0.303 0.000 2.386 349 A HA 0.380 4.700 4.320 0.000 0.000 0.248 349 A C -0.247 177.174 177.584 -0.271 0.000 1.082 349 A CA -0.252 51.508 52.037 -0.463 0.000 0.789 349 A CB 0.529 18.935 19.000 -0.990 0.000 1.025 349 A HN 0.608 nan 8.150 nan 0.000 0.490 350 R N 0.780 121.135 120.500 -0.241 0.000 2.621 350 R HA 0.258 4.598 4.340 0.000 0.000 0.284 350 R C -0.646 175.547 176.300 -0.180 0.000 0.998 350 R CA -0.666 55.338 56.100 -0.161 0.000 0.895 350 R CB 1.244 31.460 30.300 -0.140 0.000 1.195 350 R HN 0.973 nan 8.270 nan 0.000 0.450 351 H N 4.714 123.666 119.070 -0.197 0.000 2.815 351 H HA 0.061 4.617 4.556 0.000 0.000 0.350 351 H C -1.408 173.703 175.328 -0.363 0.000 1.080 351 H CA -0.942 54.944 56.048 -0.270 0.000 1.433 351 H CB 1.405 31.057 29.762 -0.184 0.000 1.432 351 H HN 0.176 nan 8.280 nan 0.000 0.592 352 P HA -0.129 nan 4.420 nan 0.000 0.222 352 P C 1.222 178.250 177.300 -0.453 0.000 1.147 352 P CA 0.888 63.426 63.100 -0.936 0.000 0.790 352 P CB -0.011 30.683 31.700 -1.678 0.000 0.780 353 W N 0.862 122.008 121.300 -0.258 0.000 2.825 353 W HA 0.073 4.733 4.660 0.000 0.000 0.243 353 W C 0.966 177.491 176.519 0.010 0.000 1.293 353 W CA 0.770 58.136 57.345 0.036 0.000 1.403 353 W CB -0.503 29.076 29.460 0.198 0.000 1.134 353 W HN 0.105 nan 8.180 nan 0.000 0.666 354 K N -0.917 119.587 120.400 0.174 0.000 2.646 354 K HA 0.286 4.606 4.320 0.000 0.000 0.206 354 K C 0.845 177.442 176.600 -0.006 0.000 1.069 354 K CA -0.232 56.100 56.287 0.075 0.000 1.067 354 K CB 0.726 33.267 32.500 0.067 0.000 0.807 354 K HN -0.167 nan 8.250 nan 0.000 0.482 355 G N 0.989 109.762 108.800 -0.044 0.000 2.606 355 G HA2 0.154 4.114 3.960 0.000 0.000 0.252 355 G HA3 0.154 4.114 3.960 0.000 0.000 0.252 355 G C -0.562 174.308 174.900 -0.051 0.000 1.206 355 G CA -0.135 44.908 45.100 -0.095 0.000 0.861 355 G HN 0.167 nan 8.290 nan 0.000 0.561 356 Q N -0.718 119.036 119.800 -0.076 0.000 2.331 356 Q HA 0.481 4.821 4.340 0.000 0.000 0.272 356 Q C -1.318 174.634 176.000 -0.079 0.000 1.062 356 Q CA -0.603 55.173 55.803 -0.046 0.000 0.806 356 Q CB 2.649 31.364 28.738 -0.037 0.000 1.312 356 Q HN 0.432 nan 8.270 nan 0.000 0.431 357 T N 2.665 117.218 114.554 -0.002 0.000 3.141 357 T HA 0.270 4.620 4.350 0.000 0.000 0.377 357 T C -0.802 174.009 174.700 0.185 0.000 1.258 357 T CA -0.467 61.654 62.100 0.035 0.000 1.263 357 T CB 0.365 69.306 68.868 0.123 0.000 1.066 357 T HN 0.414 nan 8.240 nan 0.000 0.546 358 Q N 3.071 123.018 119.800 0.245 0.000 2.700 358 Q HA 0.276 4.616 4.340 0.000 0.000 0.249 358 Q C -2.679 173.504 176.000 0.305 0.000 1.033 358 Q CA -2.136 53.806 55.803 0.232 0.000 0.804 358 Q CB 1.596 30.419 28.738 0.143 0.000 1.164 358 Q HN 0.304 nan 8.270 nan 0.000 0.500 359 P HA -0.014 nan 4.420 nan 0.000 0.268 359 P C -0.737 176.595 177.300 0.053 0.000 1.205 359 P CA 0.062 63.178 63.100 0.027 0.000 0.771 359 P CB 0.602 32.170 31.700 -0.221 0.000 0.858 360 K N 2.936 123.341 120.400 0.008 0.000 2.762 360 K HA 0.196 4.516 4.320 0.000 0.000 0.272 360 K C -1.730 174.838 176.600 -0.053 0.000 1.093 360 K CA -0.620 55.674 56.287 0.012 0.000 1.048 360 K CB 0.522 33.032 32.500 0.017 0.000 1.304 360 K HN 0.265 nan 8.250 nan 0.000 0.511 361 Y N 2.571 122.732 120.300 -0.231 0.000 2.319 361 Y HA 0.158 4.708 4.550 0.000 0.000 0.328 361 Y C 0.922 176.569 175.900 -0.422 0.000 1.133 361 Y CA 0.695 58.444 58.100 -0.585 0.000 1.265 361 Y CB 1.459 39.622 38.460 -0.495 0.000 1.218 361 Y HN 0.621 nan 8.280 nan 0.000 0.508 362 T N 0.509 114.484 114.554 -0.964 0.000 3.111 362 T HA 0.256 4.607 4.350 0.000 0.000 0.284 362 T C -0.269 174.022 174.700 -0.682 0.000 0.983 362 T CA 0.128 61.913 62.100 -0.524 0.000 0.900 362 T CB -0.241 68.547 68.868 -0.134 0.000 1.132 362 T HN 0.719 nan 8.240 nan 0.000 0.531 363 D N 0.390 119.835 120.400 -1.592 0.000 10.640 363 D HA -0.167 4.473 4.640 0.000 0.000 0.360 363 D C -0.517 175.663 176.300 -0.200 0.000 3.073 363 D CA 0.207 53.624 54.000 -0.972 0.000 2.519 363 D CB -0.497 40.071 40.800 -0.386 0.000 1.179 363 D HN 0.427 nan 8.370 nan 0.000 0.978 364 L N 3.113 124.345 121.223 0.015 0.000 2.500 364 L HA 0.060 4.400 4.340 0.000 0.000 0.272 364 L C 1.272 178.156 176.870 0.023 0.000 1.149 364 L CA 0.100 55.004 54.840 0.106 0.000 0.897 364 L CB -0.035 42.087 42.059 0.105 0.000 1.178 364 L HN 0.475 nan 8.230 nan 0.000 0.473 365 H N 0.219 119.340 119.070 0.085 0.000 3.211 365 H HA -0.138 4.418 4.556 0.000 0.000 0.240 365 H C 0.936 176.272 175.328 0.012 0.000 1.148 365 H CA 0.646 56.695 56.048 0.001 0.000 1.160 365 H CB -1.373 28.315 29.762 -0.123 0.000 1.232 365 H HN 0.821 nan 8.280 nan 0.000 0.321 366 G N 1.059 109.905 108.800 0.076 0.000 2.343 366 G HA2 0.244 4.204 3.960 0.000 0.000 0.254 366 G HA3 0.244 4.204 3.960 0.000 0.000 0.254 366 G C 0.371 175.290 174.900 0.032 0.000 1.277 366 G CA 0.734 45.849 45.100 0.024 0.000 0.909 366 G HN 0.396 nan 8.290 nan 0.000 0.502 367 D N 1.438 121.853 120.400 0.025 0.000 2.811 367 D HA -0.222 4.418 4.640 0.000 0.000 0.231 367 D C 0.776 177.102 176.300 0.043 0.000 1.157 367 D CA 1.613 55.625 54.000 0.019 0.000 0.716 367 D CB -0.880 39.916 40.800 -0.008 0.000 1.077 367 D HN 0.713 nan 8.370 nan 0.000 0.428 368 D N -1.384 119.079 120.400 0.105 0.000 2.870 368 D HA -0.243 4.397 4.640 0.000 0.000 0.228 368 D C -0.596 175.855 176.300 0.253 0.000 1.147 368 D CA 1.083 55.219 54.000 0.227 0.000 0.757 368 D CB -0.715 40.245 40.800 0.266 0.000 1.091 368 D HN 0.678 nan 8.370 nan 0.000 0.429 369 R N -0.051 120.473 120.500 0.041 0.000 2.562 369 R HA 0.555 4.895 4.340 0.000 0.000 0.298 369 R C 0.318 176.305 176.300 -0.522 0.000 0.961 369 R CA -0.708 55.219 56.100 -0.287 0.000 0.881 369 R CB 1.169 31.257 30.300 -0.352 0.000 1.159 369 R HN 0.258 nan 8.270 nan 0.000 0.450 370 Y N -1.898 117.786 120.300 -1.027 0.000 2.888 370 Y HA 0.482 5.032 4.550 0.000 0.000 0.260 370 Y C -0.519 174.515 175.900 -1.443 0.000 1.113 370 Y CA -0.699 56.731 58.100 -1.117 0.000 1.237 370 Y CB 0.696 38.675 38.460 -0.802 0.000 1.307 370 Y HN 0.388 nan 8.280 nan 0.000 0.580 371 S N -0.654 113.810 115.700 -2.061 0.000 2.537 371 S HA 0.277 4.747 4.470 0.000 0.000 0.271 371 S C -1.016 173.095 174.600 -0.814 0.000 1.148 371 S CA -0.659 56.857 58.200 -1.140 0.000 0.868 371 S CB 0.344 63.191 63.200 -0.588 0.000 1.115 371 S HN 0.401 nan 8.310 nan 0.000 0.461 372 W N 2.614 123.936 121.300 0.037 0.000 2.800 372 W HA 0.275 4.936 4.660 0.000 0.000 0.249 372 W C 1.024 177.674 176.519 0.219 0.000 1.294 372 W CA -0.303 57.162 57.345 0.200 0.000 1.402 372 W CB 0.153 29.828 29.460 0.358 0.000 1.126 372 W HN 0.301 nan 8.180 nan 0.000 0.652 373 M N 1.420 121.177 119.600 0.262 0.000 2.233 373 M HA 0.110 4.590 4.480 0.000 0.000 0.350 373 M C 0.633 177.016 176.300 0.137 0.000 1.176 373 M CA 0.292 55.703 55.300 0.185 0.000 1.150 373 M CB 0.805 33.456 32.600 0.085 0.000 1.530 373 M HN -0.202 nan 8.290 nan 0.000 0.459 374 K N 1.335 121.794 120.400 0.097 0.000 2.149 374 K HA 0.436 4.756 4.320 0.000 0.000 0.245 374 K C -0.236 176.329 176.600 -0.058 0.000 1.024 374 K CA -0.375 55.902 56.287 -0.016 0.000 0.899 374 K CB 0.488 32.912 32.500 -0.127 0.000 1.038 374 K HN 0.745 nan 8.250 nan 0.000 0.496 375 A N 2.671 125.456 122.820 -0.059 0.000 2.508 375 A HA 0.365 4.685 4.320 0.000 0.000 0.336 375 A C -2.510 175.011 177.584 -0.104 0.000 1.360 375 A CA -1.752 50.243 52.037 -0.069 0.000 0.841 375 A CB 0.284 19.265 19.000 -0.031 0.000 1.136 375 A HN 0.304 nan 8.150 nan 0.000 0.489 376 P HA 0.362 nan 4.420 nan 0.000 0.276 376 P C -0.539 176.573 177.300 -0.315 0.000 1.230 376 P CA -0.054 62.694 63.100 -0.587 0.000 0.776 376 P CB 0.729 31.485 31.700 -1.574 0.000 0.888 377 R N 2.343 122.832 120.500 -0.020 0.000 2.686 377 R HA 0.411 4.751 4.340 0.000 0.000 0.283 377 R C -1.353 175.256 176.300 0.514 0.000 0.978 377 R CA -0.811 55.466 56.100 0.296 0.000 0.897 377 R CB 1.710 32.116 30.300 0.176 0.000 1.192 377 R HN 0.514 nan 8.270 nan 0.000 0.457 378 Y N 2.770 123.393 120.300 0.539 0.000 2.334 378 Y HA 0.214 4.764 4.550 0.000 0.000 0.336 378 Y C 0.661 176.802 175.900 0.402 0.000 0.960 378 Y CA -0.244 58.158 58.100 0.503 0.000 1.164 378 Y CB 0.893 39.621 38.460 0.447 0.000 1.155 378 Y HN 0.753 nan 8.280 nan 0.000 0.478 379 M N 5.411 124.930 119.600 -0.135 0.000 2.503 379 M HA -0.314 4.166 4.480 0.000 0.000 0.199 379 M C 1.099 177.449 176.300 0.083 0.000 0.466 379 M CA 1.431 56.708 55.300 -0.037 0.000 0.510 379 M CB -1.739 30.864 32.600 0.004 0.000 1.858 379 M HN 1.171 nan 8.290 nan 0.000 0.799 380 G N -1.197 107.684 108.800 0.135 0.000 2.179 380 G HA2 -0.222 3.738 3.960 0.000 0.000 0.260 380 G HA3 -0.222 3.738 3.960 0.000 0.000 0.260 380 G C -0.126 174.855 174.900 0.135 0.000 0.977 380 G CA 0.583 45.757 45.100 0.124 0.000 0.641 380 G HN 0.551 nan 8.290 nan 0.000 0.533 381 E N 1.148 121.497 120.200 0.249 0.000 2.202 381 E HA 0.463 4.813 4.350 0.000 0.000 0.272 381 E C -2.536 174.229 176.600 0.275 0.000 0.951 381 E CA -2.013 54.541 56.400 0.257 0.000 0.813 381 E CB 2.119 32.059 29.700 0.400 0.000 1.151 381 E HN 0.208 nan 8.360 nan 0.000 0.398 382 P HA 0.224 nan 4.420 nan 0.000 0.281 382 P C -0.631 176.751 177.300 0.137 0.000 1.252 382 P CA -0.276 62.922 63.100 0.163 0.000 0.778 382 P CB 0.610 32.350 31.700 0.066 0.000 0.895 383 M N 1.627 121.344 119.600 0.194 0.000 2.190 383 M HA 0.346 4.826 4.480 0.000 0.000 0.312 383 M C 0.241 176.515 176.300 -0.045 0.000 0.990 383 M CA -0.964 54.331 55.300 -0.010 0.000 0.927 383 M CB 1.483 34.007 32.600 -0.127 0.000 1.571 383 M HN 0.413 nan 8.290 nan 0.000 0.427 384 E N 1.456 121.541 120.200 -0.193 0.000 2.360 384 E HA 0.294 4.644 4.350 0.000 0.000 0.269 384 E C -0.830 175.722 176.600 -0.080 0.000 1.022 384 E CA 0.285 56.638 56.400 -0.079 0.000 0.887 384 E CB 0.983 30.639 29.700 -0.072 0.000 0.990 384 E HN 0.676 nan 8.360 nan 0.000 0.426 385 T N 2.095 116.633 114.554 -0.026 0.000 2.887 385 T HA 0.747 5.097 4.350 0.000 0.000 0.292 385 T C -0.308 174.398 174.700 0.010 0.000 1.087 385 T CA 0.433 62.464 62.100 -0.115 0.000 1.009 385 T CB 1.359 70.006 68.868 -0.368 0.000 1.203 385 T HN 0.907 nan 8.240 nan 0.000 0.518 386 G N 2.307 111.083 108.800 -0.041 0.000 2.396 386 G HA2 -0.039 3.921 3.960 0.000 0.000 0.254 386 G HA3 -0.039 3.921 3.960 0.000 0.000 0.254 386 G C -2.440 172.468 174.900 0.012 0.000 1.248 386 G CA -0.141 44.967 45.100 0.014 0.000 1.033 386 G HN 0.579 nan 8.290 nan 0.000 0.502 387 P HA -0.013 nan 4.420 nan 0.000 0.215 387 P C 2.256 179.511 177.300 -0.075 0.000 1.153 387 P CA 1.448 64.539 63.100 -0.014 0.000 0.853 387 P CB 0.069 31.743 31.700 -0.043 0.000 0.788 388 L N -0.487 120.711 121.223 -0.041 0.000 2.056 388 L HA -0.064 4.276 4.340 0.000 0.000 0.207 388 L C 2.216 179.033 176.870 -0.088 0.000 1.078 388 L CA 1.933 56.724 54.840 -0.080 0.000 0.749 388 L CB -1.516 40.547 42.059 0.007 0.000 0.901 388 L HN -0.128 nan 8.230 nan 0.000 0.433 389 A N -1.016 121.845 122.820 0.067 0.000 1.877 389 A HA -0.292 4.028 4.320 0.000 0.000 0.216 389 A C 2.313 179.856 177.584 -0.069 0.000 1.186 389 A CA 1.841 53.928 52.037 0.083 0.000 0.620 389 A CB -0.725 18.359 19.000 0.139 0.000 0.822 389 A HN 0.633 nan 8.150 nan 0.000 0.443 390 Q N -0.371 119.349 119.800 -0.135 0.000 2.050 390 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 390 Q C 1.951 177.776 176.000 -0.292 0.000 0.980 390 Q CA 2.129 57.786 55.803 -0.243 0.000 0.840 390 Q CB -0.249 28.292 28.738 -0.329 0.000 0.898 390 Q HN 0.369 nan 8.270 nan 0.000 0.424 391 V N 0.862 120.610 119.914 -0.276 0.000 2.261 391 V HA -0.276 3.844 4.120 0.000 0.000 0.246 391 V C 2.324 178.288 176.094 -0.216 0.000 1.047 391 V CA 1.697 63.844 62.300 -0.255 0.000 1.015 391 V CB -0.510 31.176 31.823 -0.230 0.000 0.642 391 V HN 0.416 nan 8.190 nan 0.000 0.446 392 L N -0.833 120.208 121.223 -0.303 0.000 2.093 392 L HA -0.151 4.189 4.340 0.000 0.000 0.208 392 L C 2.338 179.092 176.870 -0.193 0.000 1.085 392 L CA 1.562 56.121 54.840 -0.469 0.000 0.755 392 L CB -0.468 41.065 42.059 -0.877 0.000 0.904 392 L HN 0.277 nan 8.230 nan 0.000 0.435 393 I N -0.123 120.455 120.570 0.013 0.000 2.202 393 I HA -0.241 3.929 4.170 0.000 0.000 0.242 393 I C 2.835 178.999 176.117 0.078 0.000 1.091 393 I CA 1.079 62.465 61.300 0.144 0.000 1.368 393 I CB -0.441 37.613 38.000 0.090 0.000 1.058 393 I HN 0.172 nan 8.210 nan 0.000 0.410 394 A N 0.251 123.075 122.820 0.007 0.000 1.908 394 A HA -0.303 4.017 4.320 0.000 0.000 0.218 394 A C 2.304 179.927 177.584 0.064 0.000 1.181 394 A CA 1.634 53.692 52.037 0.036 0.000 0.627 394 A CB -1.198 17.771 19.000 -0.051 0.000 0.818 394 A HN 0.513 nan 8.150 nan 0.000 0.445 395 Y N 1.204 121.450 120.300 -0.091 0.000 2.081 395 Y HA -0.270 4.280 4.550 0.000 0.000 0.280 395 Y C 2.702 178.574 175.900 -0.045 0.000 1.163 395 Y CA 2.250 60.296 58.100 -0.089 0.000 1.135 395 Y CB -0.174 38.172 38.460 -0.190 0.000 0.970 395 Y HN 0.317 nan 8.280 nan 0.000 0.498 396 S N -0.300 115.527 115.700 0.212 0.000 2.515 396 S HA -0.140 4.330 4.470 0.000 0.000 0.231 396 S C 1.418 176.090 174.600 0.121 0.000 0.987 396 S CA 0.960 59.281 58.200 0.202 0.000 0.936 396 S CB -0.191 63.184 63.200 0.292 0.000 0.766 396 S HN 0.568 nan 8.310 nan 0.000 0.528 397 Q N 0.063 119.913 119.800 0.084 0.000 2.403 397 Q HA 0.246 4.586 4.340 0.000 0.000 0.203 397 Q C 1.229 177.226 176.000 -0.004 0.000 0.932 397 Q CA 0.290 56.120 55.803 0.046 0.000 0.945 397 Q CB 0.306 29.076 28.738 0.053 0.000 1.045 397 Q HN 0.568 nan 8.270 nan 0.000 0.511 398 G N 1.121 109.892 108.800 -0.048 0.000 2.132 398 G HA2 -0.323 3.637 3.960 0.000 0.000 0.234 398 G HA3 -0.323 3.637 3.960 0.000 0.000 0.234 398 G C -0.272 174.555 174.900 -0.120 0.000 0.989 398 G CA 0.050 45.083 45.100 -0.110 0.000 0.676 398 G HN 0.593 nan 8.290 nan 0.000 0.522 399 H N 1.419 120.379 119.070 -0.184 0.000 3.145 399 H HA 0.313 4.869 4.556 0.000 0.000 0.288 399 H C -0.535 174.670 175.328 -0.204 0.000 0.969 399 H CA -0.190 55.737 56.048 -0.202 0.000 1.444 399 H CB 1.075 30.726 29.762 -0.185 0.000 1.500 399 H HN 0.137 nan 8.280 nan 0.000 0.552 400 P HA -0.141 nan 4.420 nan 0.000 0.219 400 P C 1.054 178.374 177.300 0.033 0.000 1.150 400 P CA 1.023 64.077 63.100 -0.077 0.000 0.814 400 P CB 0.397 32.037 31.700 -0.099 0.000 0.787 401 K N -0.254 120.249 120.400 0.171 0.000 2.062 401 K HA -0.007 4.313 4.320 0.000 0.000 0.205 401 K C 2.119 178.805 176.600 0.143 0.000 1.051 401 K CA 0.858 57.263 56.287 0.196 0.000 0.941 401 K CB -1.301 31.392 32.500 0.322 0.000 0.719 401 K HN 0.061 nan 8.250 nan 0.000 0.440 402 V N 2.198 122.188 119.914 0.127 0.000 2.295 402 V HA -0.255 3.865 4.120 0.000 0.000 0.246 402 V C 2.622 178.726 176.094 0.017 0.000 1.049 402 V CA 1.931 64.233 62.300 0.003 0.000 1.024 402 V CB -0.444 31.297 31.823 -0.136 0.000 0.648 402 V HN 0.385 nan 8.190 nan 0.000 0.447 403 K N 0.305 120.643 120.400 -0.103 0.000 2.057 403 K HA -0.160 4.160 4.320 0.000 0.000 0.207 403 K C 2.181 178.757 176.600 -0.040 0.000 1.049 403 K CA 1.551 57.669 56.287 -0.282 0.000 0.931 403 K CB -0.344 31.816 32.500 -0.568 0.000 0.714 403 K HN 0.401 nan 8.250 nan 0.000 0.440 404 A N 0.726 123.534 122.820 -0.021 0.000 1.877 404 A HA -0.107 4.213 4.320 0.000 0.000 0.216 404 A C 2.243 179.838 177.584 0.019 0.000 1.186 404 A CA 1.752 53.791 52.037 0.005 0.000 0.620 404 A CB -0.664 18.343 19.000 0.011 0.000 0.822 404 A HN 0.181 nan 8.150 nan 0.000 0.443 405 V N -0.349 119.580 119.914 0.026 0.000 2.358 405 V HA -0.203 3.917 4.120 0.000 0.000 0.246 405 V C 2.721 178.815 176.094 -0.001 0.000 1.047 405 V CA 2.396 64.701 62.300 0.008 0.000 1.035 405 V CB -1.342 30.487 31.823 0.011 0.000 0.658 405 V HN 0.595 nan 8.190 nan 0.000 0.452 406 T N -0.233 114.342 114.554 0.036 0.000 2.720 406 T HA -0.203 4.147 4.350 0.000 0.000 0.268 406 T C 1.660 176.366 174.700 0.010 0.000 1.037 406 T CA 1.770 63.881 62.100 0.017 0.000 1.144 406 T CB -0.392 68.535 68.868 0.099 0.000 0.864 406 T HN 0.453 nan 8.240 nan 0.000 0.444 407 D N 1.208 121.659 120.400 0.085 0.000 2.144 407 D HA 0.011 4.651 4.640 0.000 0.000 0.199 407 D C 2.334 178.632 176.300 -0.003 0.000 0.984 407 D CA 1.166 55.195 54.000 0.048 0.000 0.834 407 D CB -0.464 40.381 40.800 0.075 0.000 0.955 407 D HN 0.407 nan 8.370 nan 0.000 0.465 408 A N 0.476 123.291 122.820 -0.008 0.000 1.930 408 A HA -0.117 4.203 4.320 0.000 0.000 0.217 408 A C 2.512 180.069 177.584 -0.046 0.000 1.175 408 A CA 1.043 53.065 52.037 -0.026 0.000 0.627 408 A CB -0.678 18.307 19.000 -0.026 0.000 0.815 408 A HN 0.139 nan 8.150 nan 0.000 0.443 409 V N 0.170 120.048 119.914 -0.061 0.000 2.295 409 V HA -0.257 3.863 4.120 0.000 0.000 0.246 409 V C 2.574 178.619 176.094 -0.082 0.000 1.049 409 V CA 1.990 64.239 62.300 -0.085 0.000 1.024 409 V CB -0.723 31.034 31.823 -0.110 0.000 0.648 409 V HN 0.577 nan 8.190 nan 0.000 0.447 410 L N -0.064 121.109 121.223 -0.083 0.000 2.046 410 L HA -0.158 4.182 4.340 0.000 0.000 0.208 410 L C 2.725 179.558 176.870 -0.063 0.000 1.077 410 L CA 1.539 56.327 54.840 -0.086 0.000 0.747 410 L CB -0.815 41.184 42.059 -0.101 0.000 0.896 410 L HN 0.371 nan 8.230 nan 0.000 0.432 411 A N 0.330 123.120 122.820 -0.049 0.000 1.902 411 A HA -0.264 4.056 4.320 0.000 0.000 0.217 411 A C 2.309 179.870 177.584 -0.039 0.000 1.181 411 A CA 2.085 54.099 52.037 -0.037 0.000 0.623 411 A CB -0.401 18.582 19.000 -0.028 0.000 0.818 411 A HN 0.264 nan 8.150 nan 0.000 0.443 412 K N 0.081 120.455 120.400 -0.044 0.000 2.057 412 K HA 0.020 4.340 4.320 0.000 0.000 0.207 412 K C 1.567 178.142 176.600 -0.042 0.000 1.049 412 K CA 1.452 57.713 56.287 -0.043 0.000 0.931 412 K CB -0.503 31.966 32.500 -0.051 0.000 0.714 412 K HN 0.439 nan 8.250 nan 0.000 0.440 413 L N -0.604 120.590 121.223 -0.050 0.000 2.478 413 L HA 0.144 4.484 4.340 0.000 0.000 0.223 413 L C 1.005 177.852 176.870 -0.038 0.000 1.140 413 L CA 0.502 55.315 54.840 -0.044 0.000 0.842 413 L CB -0.334 41.693 42.059 -0.054 0.000 0.953 413 L HN 0.612 nan 8.230 nan 0.000 0.452 414 G N 0.988 109.765 108.800 -0.039 0.000 2.176 414 G HA2 -0.229 3.731 3.960 0.000 0.000 0.252 414 G HA3 -0.229 3.731 3.960 0.000 0.000 0.252 414 G C 0.087 174.965 174.900 -0.037 0.000 1.024 414 G CA 0.314 45.393 45.100 -0.034 0.000 0.755 414 G HN 0.300 nan 8.290 nan 0.000 0.507 415 V N -2.802 117.084 119.914 -0.047 0.000 3.074 415 V HA 1.042 5.162 4.120 0.000 0.000 0.314 415 V C 0.783 176.839 176.094 -0.063 0.000 1.117 415 V CA -0.214 62.055 62.300 -0.052 0.000 1.014 415 V CB 1.789 33.578 31.823 -0.057 0.000 1.057 415 V HN 1.225 nan 8.190 nan 0.000 0.438 416 G N 0.360 109.123 108.800 -0.061 0.000 2.535 416 G HA2 0.618 4.578 3.960 0.000 0.000 0.303 416 G HA3 0.618 4.578 3.960 0.000 0.000 0.303 416 G C -1.675 173.160 174.900 -0.109 0.000 1.237 416 G CA -1.157 43.901 45.100 -0.071 0.000 0.986 416 G HN 0.646 nan 8.290 nan 0.000 0.494 417 P HA -0.046 nan 4.420 nan 0.000 0.220 417 P C 1.053 178.226 177.300 -0.210 0.000 1.148 417 P CA 0.977 63.935 63.100 -0.236 0.000 0.803 417 P CB 0.259 31.807 31.700 -0.255 0.000 0.782 418 E N 0.446 120.615 120.200 -0.053 0.000 2.267 418 E HA -0.114 4.236 4.350 0.000 0.000 0.197 418 E C 2.115 178.734 176.600 0.033 0.000 0.998 418 E CA 1.308 57.766 56.400 0.097 0.000 0.830 418 E CB -0.996 28.767 29.700 0.104 0.000 0.751 418 E HN 0.229 nan 8.360 nan 0.000 0.491 419 A N 0.590 123.370 122.820 -0.068 0.000 2.121 419 A HA -0.086 4.234 4.320 0.000 0.000 0.218 419 A C 1.966 179.470 177.584 -0.133 0.000 1.154 419 A CA 0.726 52.719 52.037 -0.073 0.000 0.679 419 A CB -0.464 18.487 19.000 -0.082 0.000 0.795 419 A HN 0.219 nan 8.150 nan 0.000 0.458 420 L N -1.688 119.357 121.223 -0.297 0.000 2.376 420 L HA -0.025 4.315 4.340 0.000 0.000 0.219 420 L C 0.180 176.827 176.870 -0.371 0.000 1.133 420 L CA 0.201 54.793 54.840 -0.413 0.000 0.816 420 L CB -0.278 41.384 42.059 -0.661 0.000 0.933 420 L HN 0.328 nan 8.230 nan 0.000 0.449 421 F N 0.748 120.670 119.950 -0.046 0.000 2.640 421 F HA 0.201 4.728 4.527 0.000 0.000 0.354 421 F C 0.737 176.571 175.800 0.057 0.000 1.213 421 F CA -0.371 57.656 58.000 0.044 0.000 1.314 421 F CB -0.466 38.582 39.000 0.080 0.000 1.679 421 F HN -0.021 nan 8.300 nan 0.000 0.622 422 S N -2.079 113.714 115.700 0.155 0.000 2.615 422 S HA 0.240 4.710 4.470 0.000 0.000 0.268 422 S C 0.495 175.154 174.600 0.097 0.000 1.146 422 S CA -0.696 57.582 58.200 0.130 0.000 0.818 422 S CB 1.102 64.351 63.200 0.082 0.000 1.111 422 S HN -0.001 nan 8.310 nan 0.000 0.465 423 T N 1.258 115.915 114.554 0.172 0.000 2.720 423 T HA -0.082 4.268 4.350 0.000 0.000 0.268 423 T C 1.753 176.532 174.700 0.132 0.000 1.037 423 T CA 1.820 64.024 62.100 0.173 0.000 1.144 423 T CB -0.656 68.470 68.868 0.430 0.000 0.864 423 T HN 0.534 nan 8.240 nan 0.000 0.444 424 L N 0.540 121.864 121.223 0.168 0.000 2.046 424 L HA -0.002 4.338 4.340 0.000 0.000 0.208 424 L C 2.654 179.519 176.870 -0.008 0.000 1.077 424 L CA 1.731 56.613 54.840 0.069 0.000 0.747 424 L CB -0.894 41.230 42.059 0.109 0.000 0.896 424 L HN 0.351 nan 8.230 nan 0.000 0.432 425 G N -0.425 108.356 108.800 -0.033 0.000 2.476 425 G HA2 -0.354 3.606 3.960 0.000 0.000 0.218 425 G HA3 -0.354 3.606 3.960 0.000 0.000 0.218 425 G C 1.702 176.534 174.900 -0.114 0.000 1.164 425 G CA 0.984 46.021 45.100 -0.106 0.000 0.768 425 G HN 0.416 nan 8.290 nan 0.000 0.560 426 R N -0.283 120.170 120.500 -0.078 0.000 2.092 426 R HA -0.055 4.285 4.340 0.000 0.000 0.231 426 R C 2.678 178.941 176.300 -0.061 0.000 1.119 426 R CA 1.805 57.849 56.100 -0.094 0.000 0.970 426 R CB -0.451 29.753 30.300 -0.160 0.000 0.864 426 R HN 0.344 nan 8.270 nan 0.000 0.440 427 T N 0.547 115.101 114.554 0.001 0.000 2.746 427 T HA -0.099 4.251 4.350 0.000 0.000 0.267 427 T C 1.829 176.522 174.700 -0.012 0.000 1.039 427 T CA 1.303 63.452 62.100 0.081 0.000 1.142 427 T CB -0.294 68.649 68.868 0.125 0.000 0.866 427 T HN 0.438 nan 8.240 nan 0.000 0.444 428 A N 1.598 124.370 122.820 -0.080 0.000 1.902 428 A HA 0.124 4.444 4.320 0.000 0.000 0.217 428 A C 2.672 180.163 177.584 -0.154 0.000 1.181 428 A CA 1.875 53.828 52.037 -0.140 0.000 0.623 428 A CB -1.169 17.745 19.000 -0.144 0.000 0.818 428 A HN 0.510 nan 8.150 nan 0.000 0.443 429 A N -0.317 122.415 122.820 -0.146 0.000 1.940 429 A HA -0.194 4.126 4.320 0.000 0.000 0.219 429 A C 2.227 179.732 177.584 -0.132 0.000 1.176 429 A CA 1.839 53.784 52.037 -0.153 0.000 0.631 429 A CB -0.521 18.378 19.000 -0.167 0.000 0.814 429 A HN 0.588 nan 8.150 nan 0.000 0.446 430 R N -0.559 119.860 120.500 -0.135 0.000 2.091 430 R HA -0.128 4.212 4.340 0.000 0.000 0.238 430 R C 2.253 178.483 176.300 -0.116 0.000 1.136 430 R CA 1.752 57.724 56.100 -0.214 0.000 0.959 430 R CB -0.736 29.424 30.300 -0.234 0.000 0.856 430 R HN 0.450 nan 8.270 nan 0.000 0.437 431 G N 0.985 109.697 108.800 -0.145 0.000 2.421 431 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 431 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 431 G C 1.483 176.253 174.900 -0.216 0.000 1.171 431 G CA 0.990 45.875 45.100 -0.357 0.000 0.775 431 G HN 0.290 nan 8.290 nan 0.000 0.543 432 I N 0.849 121.323 120.570 -0.159 0.000 2.118 432 I HA -0.240 3.930 4.170 0.000 0.000 0.241 432 I C 2.747 178.856 176.117 -0.012 0.000 1.070 432 I CA 1.920 63.163 61.300 -0.096 0.000 1.327 432 I CB -0.246 37.692 38.000 -0.104 0.000 1.034 432 I HN 0.391 nan 8.210 nan 0.000 0.405 433 E N 0.570 120.775 120.200 0.008 0.000 2.110 433 E HA -0.210 4.140 4.350 0.000 0.000 0.193 433 E C 1.982 178.717 176.600 0.224 0.000 0.988 433 E CA 1.874 58.327 56.400 0.087 0.000 0.804 433 E CB -0.044 29.701 29.700 0.075 0.000 0.745 433 E HN 0.430 nan 8.360 nan 0.000 0.458 434 T N 0.815 115.542 114.554 0.289 0.000 2.684 434 T HA -0.140 4.210 4.350 0.000 0.000 0.267 434 T C 1.930 176.767 174.700 0.228 0.000 1.036 434 T CA 1.527 63.846 62.100 0.364 0.000 1.148 434 T CB -0.368 68.790 68.868 0.483 0.000 0.863 434 T HN 0.393 nan 8.240 nan 0.000 0.436 435 A N 0.950 123.840 122.820 0.117 0.000 1.877 435 A HA -0.037 4.283 4.320 0.000 0.000 0.216 435 A C 2.612 180.281 177.584 0.141 0.000 1.186 435 A CA 1.371 53.459 52.037 0.085 0.000 0.620 435 A CB -1.028 17.971 19.000 -0.002 0.000 0.822 435 A HN 0.348 nan 8.150 nan 0.000 0.443 436 V N 0.170 120.185 119.914 0.169 0.000 2.343 436 V HA -0.256 3.864 4.120 0.000 0.000 0.247 436 V C 2.410 178.670 176.094 0.276 0.000 1.051 436 V CA 2.056 64.502 62.300 0.244 0.000 1.036 436 V CB -0.644 31.355 31.823 0.293 0.000 0.654 436 V HN 0.567 nan 8.190 nan 0.000 0.451 437 I N 0.287 121.018 120.570 0.267 0.000 2.315 437 I HA -0.177 3.993 4.170 0.000 0.000 0.248 437 I C 2.642 178.852 176.117 0.155 0.000 1.117 437 I CA 1.199 62.595 61.300 0.161 0.000 1.404 437 I CB -0.554 37.511 38.000 0.108 0.000 1.071 437 I HN 0.276 nan 8.210 nan 0.000 0.419 438 A N 0.485 123.447 122.820 0.236 0.000 1.908 438 A HA -0.287 4.033 4.320 0.000 0.000 0.218 438 A C 2.314 180.150 177.584 0.419 0.000 1.181 438 A CA 2.099 54.339 52.037 0.337 0.000 0.627 438 A CB -0.637 18.514 19.000 0.251 0.000 0.818 438 A HN 0.502 nan 8.150 nan 0.000 0.445 439 E N -1.793 118.572 120.200 0.275 0.000 2.047 439 E HA -0.232 4.118 4.350 0.000 0.000 0.191 439 E C 1.859 178.554 176.600 0.159 0.000 0.987 439 E CA 1.343 57.902 56.400 0.264 0.000 0.799 439 E CB -0.322 29.496 29.700 0.196 0.000 0.752 439 E HN 0.674 nan 8.360 nan 0.000 0.449 440 Y N 0.645 120.874 120.300 -0.118 0.000 2.352 440 Y HA -0.153 4.397 4.550 0.000 0.000 0.292 440 Y C 1.960 177.590 175.900 -0.451 0.000 1.136 440 Y CA 0.850 58.692 58.100 -0.429 0.000 1.227 440 Y CB -0.175 37.730 38.460 -0.925 0.000 0.991 440 Y HN -0.080 nan 8.280 nan 0.000 0.545 441 V N -0.201 119.452 119.914 -0.434 0.000 2.392 441 V HA -0.323 3.797 4.120 0.000 0.000 0.249 441 V C 2.570 178.150 176.094 -0.857 0.000 1.059 441 V CA 1.992 63.921 62.300 -0.617 0.000 1.051 441 V CB -1.471 30.067 31.823 -0.476 0.000 0.658 441 V HN 0.608 nan 8.190 nan 0.000 0.455 442 G N -0.547 107.766 108.800 -0.812 0.000 2.422 442 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 442 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 442 G C 1.638 176.268 174.900 -0.450 0.000 1.146 442 G CA 1.144 45.769 45.100 -0.793 0.000 0.769 442 G HN 0.401 nan 8.290 nan 0.000 0.547 443 V N 1.211 120.871 119.914 -0.422 0.000 2.270 443 V HA -0.210 3.910 4.120 0.000 0.000 0.245 443 V C 2.914 178.718 176.094 -0.484 0.000 1.043 443 V CA 2.081 64.150 62.300 -0.386 0.000 1.014 443 V CB -0.481 31.132 31.823 -0.349 0.000 0.645 443 V HN 0.361 nan 8.190 nan 0.000 0.447 444 M N -0.798 118.357 119.600 -0.741 0.000 2.108 444 M HA -0.219 4.261 4.480 0.000 0.000 0.261 444 M C 2.268 178.323 176.300 -0.408 0.000 1.066 444 M CA 1.838 56.820 55.300 -0.531 0.000 1.107 444 M CB -0.596 31.667 32.600 -0.562 0.000 1.356 444 M HN 0.352 nan 8.290 nan 0.000 0.406 445 L N 0.610 121.593 121.223 -0.400 0.000 2.046 445 L HA -0.225 4.115 4.340 0.000 0.000 0.208 445 L C 2.480 179.220 176.870 -0.216 0.000 1.077 445 L CA 1.992 56.678 54.840 -0.256 0.000 0.747 445 L CB -0.804 41.085 42.059 -0.283 0.000 0.896 445 L HN 0.259 nan 8.230 nan 0.000 0.432 446 Q N -0.038 119.618 119.800 -0.240 0.000 2.084 446 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 446 Q C 2.085 177.948 176.000 -0.230 0.000 0.978 446 Q CA 2.132 57.822 55.803 -0.188 0.000 0.844 446 Q CB -0.192 28.463 28.738 -0.140 0.000 0.898 446 Q HN 0.646 nan 8.270 nan 0.000 0.426 447 E N -1.105 118.918 120.200 -0.294 0.000 2.085 447 E HA -0.234 4.116 4.350 0.000 0.000 0.194 447 E C 1.798 178.026 176.600 -0.621 0.000 0.994 447 E CA 1.292 57.475 56.400 -0.360 0.000 0.801 447 E CB -0.362 29.177 29.700 -0.269 0.000 0.743 447 E HN 0.550 nan 8.360 nan 0.000 0.453 448 Y N 1.852 121.556 120.300 -0.993 0.000 2.114 448 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 448 Y C 2.101 177.751 175.900 -0.417 0.000 1.143 448 Y CA 1.542 59.106 58.100 -0.893 0.000 1.135 448 Y CB 0.140 38.187 38.460 -0.688 0.000 0.980 448 Y HN -0.140 nan 8.280 nan 0.000 0.499 449 K N 0.069 120.200 120.400 -0.449 0.000 2.074 449 K HA -0.223 4.098 4.320 0.000 0.000 0.209 449 K C 1.536 177.969 176.600 -0.278 0.000 1.048 449 K CA 1.850 57.905 56.287 -0.385 0.000 0.926 449 K CB -0.263 32.100 32.500 -0.228 0.000 0.713 449 K HN 0.400 nan 8.250 nan 0.000 0.444 450 D N 0.237 120.504 120.400 -0.221 0.000 2.144 450 D HA -0.164 4.476 4.640 0.000 0.000 0.199 450 D C 1.598 177.830 176.300 -0.113 0.000 0.984 450 D CA 0.871 54.788 54.000 -0.138 0.000 0.834 450 D CB -0.366 40.373 40.800 -0.103 0.000 0.955 450 D HN 0.257 nan 8.370 nan 0.000 0.465 451 N N 0.498 119.119 118.700 -0.132 0.000 2.171 451 N HA -0.081 4.659 4.740 0.000 0.000 0.184 451 N C 2.003 177.472 175.510 -0.068 0.000 1.021 451 N CA 0.444 53.473 53.050 -0.035 0.000 0.854 451 N CB 0.089 38.635 38.487 0.098 0.000 0.994 451 N HN 0.128 nan 8.380 nan 0.000 0.426 452 I N 1.300 121.763 120.570 -0.177 0.000 2.226 452 I HA -0.227 3.943 4.170 0.000 0.000 0.245 452 I C 2.443 178.493 176.117 -0.111 0.000 1.100 452 I CA 1.088 62.284 61.300 -0.174 0.000 1.374 452 I CB -0.301 37.507 38.000 -0.319 0.000 1.057 452 I HN 0.144 nan 8.210 nan 0.000 0.413 453 A N 0.568 123.318 122.820 -0.116 0.000 2.067 453 A HA -0.161 4.159 4.320 0.000 0.000 0.219 453 A C 2.137 179.692 177.584 -0.048 0.000 1.158 453 A CA 1.211 53.202 52.037 -0.078 0.000 0.661 453 A CB -0.388 18.564 19.000 -0.080 0.000 0.801 453 A HN 0.360 nan 8.150 nan 0.000 0.452 454 K N -1.269 119.108 120.400 -0.038 0.000 2.486 454 K HA 0.166 4.486 4.320 0.000 0.000 0.194 454 K C 1.031 177.626 176.600 -0.008 0.000 1.033 454 K CA 0.493 56.770 56.287 -0.016 0.000 1.004 454 K CB -0.094 32.405 32.500 -0.003 0.000 0.798 454 K HN 0.655 nan 8.250 nan 0.000 0.495 455 G N 2.345 111.137 108.800 -0.014 0.000 2.144 455 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 455 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 455 G C -0.566 174.340 174.900 0.009 0.000 0.988 455 G CA -0.054 45.043 45.100 -0.004 0.000 0.659 455 G HN 0.363 nan 8.290 nan 0.000 0.522 456 D N 1.060 121.468 120.400 0.013 0.000 2.365 456 D HA 0.341 4.981 4.640 0.000 0.000 0.237 456 D C 1.265 177.589 176.300 0.040 0.000 1.190 456 D CA -0.121 53.901 54.000 0.036 0.000 0.867 456 D CB -0.489 40.344 40.800 0.056 0.000 1.050 456 D HN 0.578 nan 8.370 nan 0.000 0.491 457 N N 2.149 120.882 118.700 0.054 0.000 2.234 457 N HA 0.084 4.824 4.740 0.000 0.000 0.227 457 N C -0.632 174.947 175.510 0.116 0.000 1.151 457 N CA -0.548 52.546 53.050 0.074 0.000 0.865 457 N CB 0.697 39.229 38.487 0.074 0.000 1.066 457 N HN -0.008 nan 8.380 nan 0.000 0.515 458 V N 2.284 122.258 119.914 0.101 0.000 2.498 458 V HA 0.203 4.323 4.120 0.000 0.000 0.279 458 V C 1.105 177.240 176.094 0.068 0.000 1.048 458 V CA -0.529 61.836 62.300 0.108 0.000 0.967 458 V CB 1.170 33.049 31.823 0.093 0.000 0.988 458 V HN 0.405 nan 8.190 nan 0.000 0.473 459 I N 0.747 121.331 120.570 0.023 0.000 4.439 459 I HA 0.494 4.664 4.170 0.000 0.000 0.331 459 I C 0.296 176.390 176.117 -0.038 0.000 1.345 459 I CA 0.124 61.387 61.300 -0.062 0.000 1.193 459 I CB 0.803 38.659 38.000 -0.239 0.000 1.221 459 I HN 0.576 nan 8.210 nan 0.000 0.429 460 C N 2.025 121.344 119.300 0.030 0.000 2.880 460 C HA 0.858 5.318 4.460 0.000 0.000 0.320 460 C C -0.252 174.810 174.990 0.120 0.000 1.176 460 C CA -0.021 59.041 59.018 0.074 0.000 1.390 460 C CB 1.216 29.011 27.740 0.092 0.000 1.846 460 C HN 0.504 nan 8.230 nan 0.000 0.478 461 A N 6.216 129.123 122.820 0.145 0.000 2.340 461 A HA 0.948 5.268 4.320 0.000 0.000 0.331 461 A C -2.701 175.033 177.584 0.250 0.000 1.140 461 A CA -1.108 51.029 52.037 0.167 0.000 0.801 461 A CB 1.034 20.127 19.000 0.154 0.000 1.234 461 A HN 0.762 nan 8.150 nan 0.000 0.469 462 P HA 0.403 nan 4.420 nan 0.000 0.274 462 P C -0.828 176.633 177.300 0.269 0.000 1.237 462 P CA 0.013 63.208 63.100 0.158 0.000 0.793 462 P CB 0.611 32.344 31.700 0.054 0.000 0.977 463 W N -0.608 120.719 121.300 0.045 0.000 3.005 463 W HA 0.514 5.174 4.660 0.000 0.000 0.343 463 W C -1.630 174.913 176.519 0.039 0.000 1.243 463 W CA -0.752 56.621 57.345 0.046 0.000 1.186 463 W CB 0.924 30.415 29.460 0.051 0.000 1.453 463 W HN 0.300 nan 8.180 nan 0.000 0.575 464 E N 1.457 121.795 120.200 0.229 0.000 2.293 464 E HA 0.357 4.707 4.350 0.000 0.000 0.270 464 E C -1.109 175.674 176.600 0.304 0.000 0.879 464 E CA -1.382 55.039 56.400 0.034 0.000 0.756 464 E CB 3.192 32.911 29.700 0.033 0.000 1.208 464 E HN 0.311 nan 8.360 nan 0.000 0.428 465 M N 4.666 124.381 119.600 0.191 0.000 2.146 465 M HA 0.215 4.695 4.480 0.000 0.000 0.352 465 M C -2.330 174.073 176.300 0.171 0.000 1.343 465 M CA -1.648 53.841 55.300 0.315 0.000 1.115 465 M CB 0.390 33.151 32.600 0.267 0.000 1.657 465 M HN 0.169 nan 8.290 nan 0.000 0.471 466 P HA 0.175 nan 4.420 nan 0.000 0.274 466 P C -0.395 176.950 177.300 0.075 0.000 1.231 466 P CA -0.264 62.892 63.100 0.094 0.000 0.790 466 P CB 0.762 32.509 31.700 0.079 0.000 0.951 467 K N 0.113 120.542 120.400 0.049 0.000 2.116 467 K HA -0.037 4.283 4.320 0.000 0.000 0.203 467 K C 0.961 177.578 176.600 0.029 0.000 1.052 467 K CA 1.164 57.474 56.287 0.038 0.000 0.952 467 K CB 0.128 32.643 32.500 0.026 0.000 0.729 467 K HN 0.572 nan 8.250 nan 0.000 0.446 468 Q N -0.672 119.139 119.800 0.019 0.000 2.304 468 Q HA 0.549 4.889 4.340 0.000 0.000 0.270 468 Q C -1.791 174.203 176.000 -0.011 0.000 1.035 468 Q CA -0.525 55.278 55.803 -0.000 0.000 0.781 468 Q CB 2.115 30.846 28.738 -0.012 0.000 1.261 468 Q HN 0.134 nan 8.270 nan 0.000 0.444 469 A N 3.344 126.146 122.820 -0.030 0.000 2.586 469 A HA 0.592 4.912 4.320 0.000 0.000 0.291 469 A C -1.783 175.734 177.584 -0.112 0.000 1.062 469 A CA -0.841 51.164 52.037 -0.053 0.000 0.666 469 A CB 1.566 20.562 19.000 -0.006 0.000 1.281 469 A HN 0.740 nan 8.150 nan 0.000 0.421 470 E N -0.081 120.007 120.200 -0.186 0.000 2.256 470 E HA 0.643 4.993 4.350 0.000 0.000 0.267 470 E C -0.137 176.425 176.600 -0.065 0.000 0.892 470 E CA -0.916 55.300 56.400 -0.307 0.000 0.775 470 E CB 2.445 31.598 29.700 -0.912 0.000 1.207 470 E HN 1.026 nan 8.360 nan 0.000 0.420 471 G N 0.335 109.238 108.800 0.173 0.000 2.660 471 G HA2 0.565 4.525 3.960 0.000 0.000 0.294 471 G HA3 0.565 4.525 3.960 0.000 0.000 0.294 471 G C -1.646 173.397 174.900 0.239 0.000 1.369 471 G CA -0.577 44.636 45.100 0.189 0.000 0.912 471 G HN 0.351 nan 8.290 nan 0.000 0.479 472 V N -0.363 119.475 119.914 -0.127 0.000 2.932 472 V HA 0.918 5.038 4.120 0.000 0.000 0.307 472 V C -0.161 175.446 176.094 -0.812 0.000 1.147 472 V CA 0.162 62.006 62.300 -0.761 0.000 0.951 472 V CB 2.124 33.114 31.823 -1.388 0.000 1.031 472 V HN 1.476 nan 8.190 nan 0.000 0.426 473 G N 4.460 112.681 108.800 -0.964 0.000 2.566 473 G HA2 0.735 4.695 3.960 0.000 0.000 0.311 473 G HA3 0.735 4.695 3.960 0.000 0.000 0.311 473 G C -1.651 172.696 174.900 -0.921 0.000 1.322 473 G CA -0.494 44.156 45.100 -0.750 0.000 0.969 473 G HN 0.543 nan 8.290 nan 0.000 0.490 474 F N 1.271 121.018 119.950 -0.340 0.000 2.507 474 F HA 0.596 5.123 4.527 0.000 0.000 0.325 474 F C 0.005 175.714 175.800 -0.151 0.000 1.116 474 F CA -0.903 56.953 58.000 -0.240 0.000 0.930 474 F CB 2.844 41.669 39.000 -0.292 0.000 1.146 474 F HN 0.224 nan 8.300 nan 0.000 0.447 475 V N 2.942 122.919 119.914 0.104 0.000 2.709 475 V HA 0.297 4.417 4.120 0.000 0.000 0.308 475 V C -0.636 175.496 176.094 0.063 0.000 1.062 475 V CA -1.050 61.243 62.300 -0.012 0.000 0.901 475 V CB 2.062 33.777 31.823 -0.181 0.000 1.003 475 V HN 0.707 nan 8.190 nan 0.000 0.425 476 N N 2.974 121.688 118.700 0.024 0.000 2.469 476 N HA 0.501 5.241 4.740 0.000 0.000 0.239 476 N C -0.066 175.459 175.510 0.025 0.000 1.053 476 N CA -0.017 53.034 53.050 0.002 0.000 0.937 476 N CB 1.637 40.142 38.487 0.030 0.000 1.163 476 N HN 0.884 nan 8.380 nan 0.000 0.509 477 A N 4.361 127.121 122.820 -0.099 0.000 2.240 477 A HA 0.443 4.763 4.320 0.000 0.000 0.292 477 A C -1.437 175.917 177.584 -0.384 0.000 1.121 477 A CA -1.152 50.737 52.037 -0.246 0.000 0.851 477 A CB 0.061 18.930 19.000 -0.219 0.000 1.167 477 A HN 0.425 nan 8.150 nan 0.000 0.503 478 P HA -0.082 nan 4.420 nan 0.000 0.221 478 P C 0.800 178.089 177.300 -0.019 0.000 1.145 478 P CA 1.290 64.081 63.100 -0.516 0.000 0.795 478 P CB 0.107 31.487 31.700 -0.533 0.000 0.775 479 R N -1.826 118.649 120.500 -0.042 0.000 2.397 479 R HA 0.435 4.775 4.340 0.000 0.000 0.241 479 R C 1.003 177.300 176.300 -0.005 0.000 0.914 479 R CA 0.351 56.465 56.100 0.023 0.000 1.071 479 R CB 0.490 30.817 30.300 0.045 0.000 1.116 479 R HN 0.172 nan 8.270 nan 0.000 0.524 480 G N -0.282 108.478 108.800 -0.066 0.000 2.297 480 G HA2 -0.109 3.851 3.960 0.000 0.000 0.209 480 G HA3 -0.109 3.851 3.960 0.000 0.000 0.209 480 G C -0.702 174.028 174.900 -0.284 0.000 1.267 480 G CA -0.765 44.236 45.100 -0.164 0.000 1.127 480 G HN 0.186 nan 8.290 nan 0.000 0.498 481 G N -0.124 108.311 108.800 -0.610 0.000 2.372 481 G HA2 0.623 4.583 3.960 0.000 0.000 0.286 481 G HA3 0.623 4.583 3.960 0.000 0.000 0.286 481 G C -0.335 174.329 174.900 -0.393 0.000 1.153 481 G CA 0.421 44.817 45.100 -1.173 0.000 0.985 481 G HN 1.344 nan 8.290 nan 0.000 0.429 482 L N 3.473 124.727 121.223 0.053 0.000 2.307 482 L HA 0.775 5.115 4.340 0.000 0.000 0.284 482 L C 0.146 177.266 176.870 0.417 0.000 1.023 482 L CA -0.578 54.403 54.840 0.234 0.000 0.810 482 L CB 1.916 43.959 42.059 -0.025 0.000 1.231 482 L HN 0.487 nan 8.230 nan 0.000 0.423 483 S N 2.595 118.546 115.700 0.419 0.000 2.547 483 S HA 0.617 5.087 4.470 0.000 0.000 0.281 483 S C -0.929 173.750 174.600 0.133 0.000 1.118 483 S CA -0.760 57.476 58.200 0.060 0.000 0.947 483 S CB 0.984 64.240 63.200 0.094 0.000 1.053 483 S HN 0.767 nan 8.310 nan 0.000 0.482 484 H N 0.605 119.398 119.070 -0.461 0.000 2.495 484 H HA 0.475 5.031 4.556 0.000 0.000 0.348 484 H C -1.568 173.309 175.328 -0.752 0.000 1.113 484 H CA -0.724 55.113 56.048 -0.353 0.000 1.195 484 H CB 1.337 31.025 29.762 -0.123 0.000 1.521 484 H HN 0.618 nan 8.280 nan 0.000 0.509 485 W N 3.923 124.883 121.300 -0.566 0.000 2.715 485 W HA 0.475 5.136 4.660 0.000 0.000 0.331 485 W C -0.764 175.434 176.519 -0.535 0.000 1.031 485 W CA -0.504 56.547 57.345 -0.490 0.000 1.237 485 W CB 1.250 30.408 29.460 -0.503 0.000 1.378 485 W HN 0.323 nan 8.180 nan 0.000 0.454 486 I N 3.660 124.213 120.570 -0.027 0.000 2.569 486 I HA 0.541 4.711 4.170 0.000 0.000 0.296 486 I C -0.511 175.704 176.117 0.164 0.000 1.028 486 I CA -1.204 60.063 61.300 -0.056 0.000 1.082 486 I CB 1.167 39.123 38.000 -0.074 0.000 1.264 486 I HN 0.240 nan 8.210 nan 0.000 0.429 487 R N 7.961 128.525 120.500 0.107 0.000 2.337 487 R HA 0.519 4.860 4.340 0.000 0.000 0.319 487 R C -1.059 175.267 176.300 0.043 0.000 0.954 487 R CA -0.637 55.480 56.100 0.028 0.000 0.840 487 R CB 1.390 31.707 30.300 0.028 0.000 1.164 487 R HN 0.587 nan 8.270 nan 0.000 0.472 488 I N 2.187 122.771 120.570 0.023 0.000 2.365 488 I HA 0.171 4.341 4.170 0.000 0.000 0.291 488 I C 0.330 176.460 176.117 0.022 0.000 1.004 488 I CA -0.314 61.011 61.300 0.041 0.000 1.311 488 I CB 1.214 39.244 38.000 0.050 0.000 1.401 488 I HN 0.362 nan 8.210 nan 0.000 0.491 489 E N 5.259 125.477 120.200 0.031 0.000 2.263 489 E HA 0.204 4.554 4.350 0.000 0.000 0.268 489 E C -0.471 176.145 176.600 0.026 0.000 0.884 489 E CA -0.448 55.964 56.400 0.020 0.000 0.766 489 E CB 1.083 30.793 29.700 0.017 0.000 1.196 489 E HN 0.516 nan 8.360 nan 0.000 0.416 490 D N 3.811 124.225 120.400 0.023 0.000 2.811 490 D HA -0.213 4.427 4.640 0.000 0.000 0.231 490 D C 0.766 177.087 176.300 0.036 0.000 1.157 490 D CA 2.523 56.538 54.000 0.025 0.000 0.716 490 D CB -1.156 39.656 40.800 0.021 0.000 1.077 490 D HN 1.016 nan 8.370 nan 0.000 0.428 491 G N -1.298 107.529 108.800 0.046 0.000 2.189 491 G HA2 -0.339 3.621 3.960 0.000 0.000 0.267 491 G HA3 -0.339 3.621 3.960 0.000 0.000 0.267 491 G C 0.412 175.355 174.900 0.071 0.000 0.975 491 G CA 0.926 46.065 45.100 0.065 0.000 0.644 491 G HN 0.519 nan 8.290 nan 0.000 0.537 492 K N -0.362 120.072 120.400 0.058 0.000 2.258 492 K HA 0.625 4.945 4.320 0.000 0.000 0.236 492 K C 0.590 177.227 176.600 0.062 0.000 1.008 492 K CA -1.242 55.077 56.287 0.054 0.000 0.869 492 K CB 1.173 33.695 32.500 0.037 0.000 1.171 492 K HN 0.151 nan 8.250 nan 0.000 0.447 493 I N 2.133 122.740 120.570 0.061 0.000 2.483 493 I HA -0.031 4.139 4.170 0.000 0.000 0.291 493 I C 1.509 177.669 176.117 0.070 0.000 1.112 493 I CA 0.269 61.623 61.300 0.091 0.000 1.350 493 I CB 0.432 38.483 38.000 0.085 0.000 1.419 493 I HN 0.802 nan 8.210 nan 0.000 0.523 494 G N 5.571 114.416 108.800 0.074 0.000 2.395 494 G HA2 -0.099 3.862 3.960 0.000 0.000 0.214 494 G HA3 -0.099 3.862 3.960 0.000 0.000 0.214 494 G C 0.561 175.503 174.900 0.071 0.000 1.177 494 G CA 0.425 45.559 45.100 0.057 0.000 0.794 494 G HN 0.538 nan 8.290 nan 0.000 0.532 495 N N -1.676 117.085 118.700 0.102 0.000 2.308 495 N HA 0.460 5.200 4.740 0.000 0.000 0.283 495 N C -2.408 173.208 175.510 0.177 0.000 1.105 495 N CA -0.896 52.226 53.050 0.120 0.000 0.840 495 N CB 1.977 40.522 38.487 0.098 0.000 1.633 495 N HN -0.063 nan 8.380 nan 0.000 0.476 496 F N 2.121 122.096 119.950 0.042 0.000 2.562 496 F HA 0.466 4.993 4.527 0.000 0.000 0.319 496 F C -1.030 174.777 175.800 0.013 0.000 1.154 496 F CA -0.390 57.630 58.000 0.034 0.000 0.931 496 F CB 1.351 40.333 39.000 -0.029 0.000 1.198 496 F HN 0.238 nan 8.300 nan 0.000 0.444 497 Q N 6.062 125.858 119.800 -0.006 0.000 2.337 497 Q HA 0.488 4.829 4.340 0.000 0.000 0.270 497 Q C -1.541 174.477 176.000 0.030 0.000 1.043 497 Q CA -0.968 54.857 55.803 0.036 0.000 0.794 497 Q CB 2.959 31.658 28.738 -0.065 0.000 1.281 497 Q HN 0.581 nan 8.270 nan 0.000 0.446 498 L N 1.755 122.957 121.223 -0.035 0.000 2.295 498 L HA 0.528 4.868 4.340 0.000 0.000 0.285 498 L C -0.276 176.595 176.870 0.002 0.000 1.035 498 L CA -0.636 54.106 54.840 -0.163 0.000 0.806 498 L CB 1.628 43.278 42.059 -0.681 0.000 1.214 498 L HN 0.250 nan 8.230 nan 0.000 0.426 499 V N 4.205 124.245 119.914 0.209 0.000 2.349 499 V HA 0.550 4.670 4.120 0.000 0.000 0.284 499 V C -0.161 176.146 176.094 0.355 0.000 1.014 499 V CA -0.616 61.827 62.300 0.238 0.000 0.826 499 V CB 1.705 33.689 31.823 0.267 0.000 1.009 499 V HN 0.473 nan 8.190 nan 0.000 0.431 500 V N 6.782 126.881 119.914 0.309 0.000 2.769 500 V HA 0.412 4.532 4.120 0.000 0.000 0.312 500 V C -1.468 174.845 176.094 0.364 0.000 1.058 500 V CA -1.738 60.767 62.300 0.342 0.000 0.952 500 V CB 2.247 34.287 31.823 0.362 0.000 1.019 500 V HN 0.546 nan 8.190 nan 0.000 0.445 501 P HA -0.120 nan 4.420 nan 0.000 0.215 501 P C 1.619 179.075 177.300 0.261 0.000 1.157 501 P CA 1.465 64.715 63.100 0.250 0.000 0.874 501 P CB 0.186 31.932 31.700 0.077 0.000 0.790 502 S N -1.141 114.683 115.700 0.207 0.000 2.447 502 S HA -0.092 4.378 4.470 0.000 0.000 0.233 502 S C 1.778 176.471 174.600 0.156 0.000 1.006 502 S CA 1.590 59.891 58.200 0.168 0.000 0.957 502 S CB -1.216 62.079 63.200 0.158 0.000 0.773 502 S HN 0.323 nan 8.310 nan 0.000 0.507 503 T N 0.734 115.392 114.554 0.174 0.000 2.708 503 T HA -0.140 4.210 4.350 0.000 0.000 0.266 503 T C 1.342 176.056 174.700 0.024 0.000 1.037 503 T CA 1.214 63.361 62.100 0.077 0.000 1.146 503 T CB -0.456 68.439 68.868 0.045 0.000 0.865 503 T HN 0.539 nan 8.240 nan 0.000 0.435 504 W N 1.624 122.960 121.300 0.061 0.000 2.333 504 W HA -0.133 4.527 4.660 0.000 0.000 0.316 504 W C 2.877 179.382 176.519 -0.023 0.000 1.215 504 W CA 1.378 58.740 57.345 0.028 0.000 1.278 504 W CB -1.006 28.459 29.460 0.007 0.000 1.154 504 W HN 0.160 nan 8.180 nan 0.000 0.486 505 T N -0.057 114.615 114.554 0.197 0.000 2.937 505 T HA -0.012 4.338 4.350 0.000 0.000 0.260 505 T C 1.463 176.087 174.700 -0.127 0.000 1.051 505 T CA 0.876 62.975 62.100 -0.002 0.000 1.141 505 T CB -0.231 68.634 68.868 -0.005 0.000 0.879 505 T HN -0.077 nan 8.240 nan 0.000 0.459 506 L N 0.276 121.473 121.223 -0.042 0.000 2.858 506 L HA 0.413 4.753 4.340 0.000 0.000 0.251 506 L C 1.432 178.306 176.870 0.006 0.000 1.149 506 L CA -0.311 54.504 54.840 -0.042 0.000 0.955 506 L CB -0.005 42.056 42.059 0.003 0.000 1.289 506 L HN 0.148 nan 8.230 nan 0.000 0.542 507 G N 0.865 109.668 108.800 0.005 0.000 2.716 507 G HA2 0.257 4.217 3.960 0.000 0.000 0.251 507 G HA3 0.257 4.217 3.960 0.000 0.000 0.251 507 G C -2.330 172.554 174.900 -0.026 0.000 1.224 507 G CA -0.496 44.594 45.100 -0.016 0.000 0.891 507 G HN -0.088 nan 8.290 nan 0.000 0.561 508 P HA 0.244 nan 4.420 nan 0.000 0.312 508 P C -0.125 177.160 177.300 -0.026 0.000 1.308 508 P CA -0.748 62.300 63.100 -0.087 0.000 0.743 508 P CB 1.001 32.358 31.700 -0.572 0.000 1.364 509 R N -1.092 119.423 120.500 0.025 0.000 2.784 509 R HA 0.175 4.515 4.340 0.000 0.000 0.266 509 R C 0.614 176.973 176.300 0.098 0.000 1.044 509 R CA -0.106 55.992 56.100 -0.004 0.000 1.151 509 R CB -0.329 29.862 30.300 -0.182 0.000 1.037 509 R HN 0.620 nan 8.270 nan 0.000 0.478 510 C N -0.556 118.759 119.300 0.025 0.000 2.464 510 C HA 0.332 4.792 4.460 0.000 0.000 0.398 510 C C 1.396 176.414 174.990 0.046 0.000 1.451 510 C CA -0.576 58.364 59.018 -0.130 0.000 1.986 510 C CB 0.738 28.092 27.740 -0.642 0.000 2.004 510 C HN 0.950 nan 8.230 nan 0.000 0.530 511 D N -0.569 119.837 120.400 0.009 0.000 2.363 511 D HA -0.068 4.572 4.640 0.000 0.000 0.226 511 D C 1.138 177.476 176.300 0.064 0.000 1.020 511 D CA 0.812 54.863 54.000 0.084 0.000 0.892 511 D CB -0.602 40.297 40.800 0.166 0.000 0.900 511 D HN 0.733 nan 8.370 nan 0.000 0.531 512 K N -0.080 120.324 120.400 0.007 0.000 2.358 512 K HA 0.168 4.488 4.320 0.000 0.000 0.197 512 K C -0.143 176.477 176.600 0.034 0.000 1.025 512 K CA -0.072 56.225 56.287 0.017 0.000 1.104 512 K CB -0.123 32.371 32.500 -0.010 0.000 0.855 512 K HN 0.077 nan 8.250 nan 0.000 0.531 513 N N 1.319 120.068 118.700 0.081 0.000 2.782 513 N HA -0.183 4.557 4.740 0.000 0.000 0.251 513 N C -1.139 174.359 175.510 -0.020 0.000 1.101 513 N CA 0.412 53.498 53.050 0.061 0.000 0.764 513 N CB -0.776 37.753 38.487 0.070 0.000 1.122 513 N HN 0.180 nan 8.380 nan 0.000 0.561 514 K N 1.061 121.443 120.400 -0.030 0.000 2.322 514 K HA 0.239 4.559 4.320 0.000 0.000 0.283 514 K C 0.125 176.695 176.600 -0.050 0.000 1.042 514 K CA -0.506 55.758 56.287 -0.038 0.000 0.958 514 K CB 0.822 33.303 32.500 -0.031 0.000 0.984 514 K HN -0.000 nan 8.250 nan 0.000 0.473 515 L N 2.468 123.656 121.223 -0.058 0.000 2.485 515 L HA -0.039 4.301 4.340 0.000 0.000 0.275 515 L C 0.914 177.758 176.870 -0.043 0.000 1.207 515 L CA 0.577 55.376 54.840 -0.069 0.000 0.855 515 L CB 0.500 42.504 42.059 -0.092 0.000 1.114 515 L HN 0.740 nan 8.230 nan 0.000 0.485 516 S N 3.045 118.721 115.700 -0.040 0.000 2.608 516 S HA 0.314 4.784 4.470 0.000 0.000 0.261 516 S C -1.806 172.755 174.600 -0.064 0.000 1.314 516 S CA -0.941 57.238 58.200 -0.036 0.000 0.992 516 S CB 0.489 63.669 63.200 -0.033 0.000 0.935 516 S HN 0.509 nan 8.310 nan 0.000 0.564 517 P HA -0.112 nan 4.420 nan 0.000 0.215 517 P C 1.720 178.893 177.300 -0.211 0.000 1.157 517 P CA 0.752 63.785 63.100 -0.113 0.000 0.874 517 P CB -0.144 31.485 31.700 -0.119 0.000 0.790 518 V N -0.048 119.610 119.914 -0.428 0.000 2.343 518 V HA -0.261 3.859 4.120 0.000 0.000 0.247 518 V C 2.083 178.115 176.094 -0.104 0.000 1.051 518 V CA 2.008 64.037 62.300 -0.451 0.000 1.036 518 V CB -0.894 30.657 31.823 -0.453 0.000 0.654 518 V HN 0.092 nan 8.190 nan 0.000 0.451 519 E N 0.186 120.332 120.200 -0.091 0.000 2.031 519 E HA -0.175 4.175 4.350 0.000 0.000 0.193 519 E C 2.309 178.879 176.600 -0.049 0.000 0.994 519 E CA 1.387 57.742 56.400 -0.074 0.000 0.800 519 E CB -0.432 29.203 29.700 -0.110 0.000 0.752 519 E HN 0.678 nan 8.360 nan 0.000 0.447 520 A N 1.420 124.219 122.820 -0.035 0.000 1.902 520 A HA -0.219 4.101 4.320 0.000 0.000 0.217 520 A C 2.320 179.937 177.584 0.056 0.000 1.181 520 A CA 1.989 54.024 52.037 -0.003 0.000 0.623 520 A CB -0.741 18.259 19.000 0.001 0.000 0.818 520 A HN 0.335 nan 8.150 nan 0.000 0.443 521 S N -0.318 115.453 115.700 0.118 0.000 2.442 521 S HA -0.040 4.430 4.470 0.000 0.000 0.236 521 S C 1.738 176.454 174.600 0.193 0.000 1.007 521 S CA 1.348 59.680 58.200 0.220 0.000 0.965 521 S CB -0.569 62.895 63.200 0.439 0.000 0.773 521 S HN 0.447 nan 8.310 nan 0.000 0.504 522 L N 0.811 122.116 121.223 0.136 0.000 2.313 522 L HA 0.188 4.528 4.340 0.000 0.000 0.214 522 L C 0.307 177.214 176.870 0.062 0.000 1.119 522 L CA -0.016 54.890 54.840 0.110 0.000 0.809 522 L CB -0.271 41.836 42.059 0.080 0.000 0.933 522 L HN 0.298 nan 8.230 nan 0.000 0.449 523 I N 0.945 121.540 120.570 0.042 0.000 2.683 523 I HA 0.052 4.222 4.170 0.000 0.000 0.286 523 I C 1.457 177.598 176.117 0.040 0.000 1.175 523 I CA 1.033 62.345 61.300 0.020 0.000 1.429 523 I CB -0.222 37.780 38.000 0.004 0.000 1.371 523 I HN 0.360 nan 8.210 nan 0.000 0.569 524 G N 4.595 113.407 108.800 0.020 0.000 2.194 524 G HA2 -0.230 3.730 3.960 0.000 0.000 0.236 524 G HA3 -0.230 3.730 3.960 0.000 0.000 0.236 524 G C 0.490 175.355 174.900 -0.058 0.000 0.987 524 G CA 0.044 45.157 45.100 0.023 0.000 0.635 524 G HN 0.579 nan 8.290 nan 0.000 0.520 525 T N 4.500 119.001 114.554 -0.087 0.000 2.853 525 T HA 0.463 4.813 4.350 0.000 0.000 0.298 525 T C -1.902 172.647 174.700 -0.251 0.000 0.978 525 T CA 0.025 61.978 62.100 -0.245 0.000 1.152 525 T CB 1.694 70.526 68.868 -0.061 0.000 0.914 525 T HN 0.291 nan 8.240 nan 0.000 0.539 526 P HA 0.350 nan 4.420 nan 0.000 0.278 526 P C -1.053 176.204 177.300 -0.072 0.000 1.238 526 P CA -0.476 62.495 63.100 -0.214 0.000 0.794 526 P CB 0.784 32.329 31.700 -0.258 0.000 0.955 527 V N 2.480 122.400 119.914 0.010 0.000 2.380 527 V HA 0.321 4.441 4.120 0.000 0.000 0.286 527 V C 1.296 177.429 176.094 0.066 0.000 1.015 527 V CA -0.321 62.012 62.300 0.055 0.000 0.834 527 V CB 0.829 32.683 31.823 0.051 0.000 1.009 527 V HN 0.661 nan 8.190 nan 0.000 0.428 528 A N 3.094 125.974 122.820 0.099 0.000 1.930 528 A HA -0.009 4.311 4.320 0.000 0.000 0.217 528 A C 0.961 178.548 177.584 0.006 0.000 1.175 528 A CA 1.576 53.661 52.037 0.079 0.000 0.627 528 A CB -0.021 19.063 19.000 0.140 0.000 0.815 528 A HN 0.737 nan 8.150 nan 0.000 0.443 529 D N -1.988 118.395 120.400 -0.028 0.000 2.402 529 D HA 0.554 5.194 4.640 0.000 0.000 0.252 529 D C 0.611 176.823 176.300 -0.145 0.000 1.294 529 D CA 0.233 54.164 54.000 -0.115 0.000 0.948 529 D CB 1.183 41.846 40.800 -0.228 0.000 1.202 529 D HN 0.074 nan 8.370 nan 0.000 0.561 530 A N 3.989 126.670 122.820 -0.233 0.000 2.076 530 A HA -0.172 4.148 4.320 0.000 0.000 0.220 530 A C 1.783 179.185 177.584 -0.303 0.000 1.160 530 A CA 1.244 53.054 52.037 -0.378 0.000 0.653 530 A CB -0.146 18.281 19.000 -0.956 0.000 0.801 530 A HN 0.554 nan 8.150 nan 0.000 0.455 531 K N -0.993 119.261 120.400 -0.242 0.000 2.366 531 K HA 0.029 4.349 4.320 0.000 0.000 0.198 531 K C 0.284 176.739 176.600 -0.242 0.000 1.044 531 K CA 0.674 56.851 56.287 -0.183 0.000 0.973 531 K CB 0.116 32.541 32.500 -0.126 0.000 0.767 531 K HN 0.311 nan 8.250 nan 0.000 0.475 532 R N 1.155 121.451 120.500 -0.340 0.000 2.653 532 R HA 0.130 4.470 4.340 0.000 0.000 0.269 532 R C -2.615 173.294 176.300 -0.653 0.000 1.603 532 R CA -1.101 54.530 56.100 -0.782 0.000 1.671 532 R CB 1.206 31.326 30.300 -0.300 0.000 1.300 532 R HN -0.047 nan 8.270 nan 0.000 0.668 533 P HA 0.009 nan 4.420 nan 0.000 0.220 533 P C 0.889 178.217 177.300 0.047 0.000 1.806 533 P CA 0.044 63.076 63.100 -0.112 0.000 0.976 533 P CB 0.793 32.467 31.700 -0.044 0.000 1.952 534 V N 2.169 122.117 119.914 0.058 0.000 2.594 534 V HA -0.253 3.867 4.120 0.000 0.000 0.253 534 V C 1.973 178.113 176.094 0.076 0.000 1.069 534 V CA 2.114 64.520 62.300 0.178 0.000 1.082 534 V CB -0.602 31.261 31.823 0.066 0.000 0.680 534 V HN 0.174 nan 8.190 nan 0.000 0.469 535 E N 0.294 120.572 120.200 0.129 0.000 2.110 535 E HA -0.168 4.182 4.350 0.000 0.000 0.193 535 E C 1.982 178.731 176.600 0.250 0.000 0.988 535 E CA 1.840 58.407 56.400 0.280 0.000 0.804 535 E CB -0.313 29.603 29.700 0.360 0.000 0.745 535 E HN 0.662 nan 8.360 nan 0.000 0.458 536 I N 0.560 121.225 120.570 0.159 0.000 2.226 536 I HA -0.283 3.887 4.170 0.000 0.000 0.245 536 I C 2.144 178.308 176.117 0.079 0.000 1.100 536 I CA 1.022 62.400 61.300 0.130 0.000 1.374 536 I CB -0.289 37.771 38.000 0.100 0.000 1.057 536 I HN 0.121 nan 8.210 nan 0.000 0.413 537 L N 0.165 121.409 121.223 0.035 0.000 2.046 537 L HA -0.214 4.126 4.340 0.000 0.000 0.208 537 L C 2.801 179.628 176.870 -0.071 0.000 1.077 537 L CA 1.439 56.194 54.840 -0.141 0.000 0.747 537 L CB -0.624 41.407 42.059 -0.048 0.000 0.896 537 L HN 0.201 nan 8.230 nan 0.000 0.432 538 R N -0.706 119.797 120.500 0.005 0.000 2.083 538 R HA -0.149 4.191 4.340 0.000 0.000 0.237 538 R C 2.316 178.705 176.300 0.148 0.000 1.137 538 R CA 2.007 58.106 56.100 -0.001 0.000 0.951 538 R CB -0.627 29.305 30.300 -0.614 0.000 0.851 538 R HN 0.313 nan 8.270 nan 0.000 0.434 539 T N 0.483 115.157 114.554 0.200 0.000 2.737 539 T HA -0.072 4.278 4.350 0.000 0.000 0.265 539 T C 1.983 176.846 174.700 0.272 0.000 1.038 539 T CA 1.221 63.488 62.100 0.278 0.000 1.144 539 T CB -0.107 68.983 68.868 0.370 0.000 0.866 539 T HN -0.020 nan 8.240 nan 0.000 0.434 540 V N 1.162 121.204 119.914 0.214 0.000 2.287 540 V HA -0.233 3.887 4.120 0.000 0.000 0.248 540 V C 2.149 178.381 176.094 0.231 0.000 1.053 540 V CA 1.852 64.289 62.300 0.229 0.000 1.027 540 V CB -0.745 31.106 31.823 0.047 0.000 0.646 540 V HN 0.663 nan 8.190 nan 0.000 0.447 541 H N 0.232 119.362 119.070 0.099 0.000 2.456 541 H HA -0.126 4.430 4.556 0.000 0.000 0.296 541 H C 2.476 177.669 175.328 -0.225 0.000 1.079 541 H CA 1.233 57.244 56.048 -0.062 0.000 1.322 541 H CB -0.008 29.625 29.762 -0.214 0.000 1.388 541 H HN 0.599 nan 8.280 nan 0.000 0.538 542 S N 0.497 116.165 115.700 -0.053 0.000 2.419 542 S HA -0.176 4.294 4.470 0.000 0.000 0.233 542 S C 1.556 176.059 174.600 -0.161 0.000 1.016 542 S CA 0.976 59.125 58.200 -0.085 0.000 0.974 542 S CB -0.521 62.662 63.200 -0.028 0.000 0.786 542 S HN 0.287 nan 8.310 nan 0.000 0.492 543 F N 1.835 121.806 119.950 0.036 0.000 2.780 543 F HA 0.236 4.763 4.527 0.000 0.000 0.299 543 F C 0.941 176.714 175.800 -0.045 0.000 1.146 543 F CA 0.261 58.272 58.000 0.018 0.000 1.428 543 F CB -0.536 38.499 39.000 0.059 0.000 1.115 543 F HN 0.158 nan 8.300 nan 0.000 0.583 544 D N 0.102 120.526 120.400 0.041 0.000 2.828 544 D HA -0.146 4.494 4.640 0.000 0.000 0.241 544 D C -2.420 173.934 176.300 0.090 0.000 1.142 544 D CA -0.169 53.770 54.000 -0.101 0.000 0.755 544 D CB -0.420 40.106 40.800 -0.455 0.000 1.014 544 D HN 0.114 nan 8.370 nan 0.000 0.420 548 A N 0.803 123.690 122.820 0.111 0.000 1.877 548 A HA -0.201 4.119 4.320 0.000 0.000 0.216 548 A C 2.450 180.116 177.584 0.136 0.000 1.186 548 A CA 2.425 54.521 52.037 0.099 0.000 0.620 548 A CB -1.008 18.037 19.000 0.074 0.000 0.822 548 A HN 0.502 nan 8.150 nan 0.000 0.443 549 C N -1.139 118.268 119.300 0.179 0.000 2.413 549 C HA -0.063 4.397 4.460 0.000 0.000 0.277 549 C C 3.038 178.232 174.990 0.339 0.000 1.228 549 C CA 1.021 60.199 59.018 0.267 0.000 1.731 549 C CB -1.594 26.322 27.740 0.293 0.000 2.042 549 C HN 0.709 nan 8.230 nan 0.000 0.468 550 G N -0.673 108.277 108.800 0.250 0.000 2.422 550 G HA2 -0.090 3.871 3.960 0.000 0.000 0.218 550 G HA3 -0.090 3.871 3.960 0.000 0.000 0.218 550 G C 1.559 176.551 174.900 0.154 0.000 1.140 550 G CA 1.432 46.671 45.100 0.232 0.000 0.775 550 G HN 0.445 nan 8.290 nan 0.000 0.545 551 V N 1.260 121.216 119.914 0.069 0.000 2.672 551 V HA 0.126 4.246 4.120 0.000 0.000 0.242 551 V C 1.153 176.885 176.094 -0.603 0.000 1.059 551 V CA 0.763 62.998 62.300 -0.109 0.000 1.081 551 V CB -0.734 31.171 31.823 0.137 0.000 0.752 551 V HN 0.770 nan 8.190 nan 0.000 0.472 552 H N 0.000 119.079 119.070 0.014 0.000 2.539 552 H HA 0.000 4.556 4.556 0.000 0.000 0.296 552 H CA 0.000 55.987 56.048 -0.101 0.000 1.023 552 H CB 0.000 29.706 29.762 -0.093 0.000 1.292 552 H HN 0.000 nan 8.280 nan 0.000 0.496