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 3kqz_1_L DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GXXNGPVKIS SKVNDKXVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKSX XXXXXXEYIK HLGVYINNAD TYKEEVEKAR DATA SEQUENCE VYYFGTYYAS QLIAAPSNYC NPVSLSNAAV ELAQKLNLEY KILGVKELEE DATA SEQUENCE LKMGAYLSVG KGSMYPNKFI HLTYKSKGDV KKKIALVGKG ITFDSGGYNL DATA SEQUENCE KAAPGSMIDL MKFDMSGCAA VLGCAYCVGT LKPENVEIHF LSAVCENMVS DATA SEQUENCE KNSYRPGDII TASNGKTIEV GNTDAEGRLT LADALVYAEK LGVDYIVDIA DATA SEQUENCE TLTGAMLYSL GTSYAGVFGN NEELINKILQ SSKTSNEPVW WLPIINEYRA DATA SEQUENCE TLNSKYADIN QISSSVKASS IVASLFLKEF VQNTAWAHID IAGVSWNFKA DATA SEQUENCE RKPKGFGVRL LTEFVLND 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 86 S HA 0.000 nan 4.470 nan 0.000 0.327 86 S C 0.000 174.634 174.600 0.057 0.000 1.055 86 S CA 0.000 58.240 58.200 0.066 0.000 1.107 86 S CB 0.000 63.239 63.200 0.066 0.000 0.593 87 E N 1.597 121.830 120.200 0.054 0.000 2.366 87 E HA 0.547 4.897 4.350 -0.000 0.000 0.266 87 E C 0.113 176.753 176.600 0.066 0.000 1.015 87 E CA -0.009 56.421 56.400 0.050 0.000 0.906 87 E CB 0.613 30.337 29.700 0.041 0.000 0.979 87 E HN 1.485 nan 8.360 nan 0.000 0.443 88 V N 3.709 123.663 119.914 0.067 0.000 2.488 88 V HA 0.516 4.636 4.120 -0.000 0.000 0.277 88 V C -2.175 173.987 176.094 0.114 0.000 1.046 88 V CA -1.614 60.748 62.300 0.103 0.000 0.986 88 V CB 1.166 33.034 31.823 0.074 0.000 0.989 88 V HN 0.773 nan 8.190 nan 0.000 0.475 89 P HA 0.350 nan 4.420 nan 0.000 0.274 89 P C -1.194 176.144 177.300 0.063 0.000 1.246 89 P CA -0.216 62.922 63.100 0.064 0.000 0.795 89 P CB 0.622 32.316 31.700 -0.011 0.000 1.006 90 Q N -0.330 119.473 119.800 0.004 0.000 2.359 90 Q HA 0.301 4.641 4.340 -0.000 0.000 0.274 90 Q C 0.602 176.578 176.000 -0.040 0.000 1.074 90 Q CA -0.888 54.911 55.803 -0.007 0.000 0.810 90 Q CB 2.318 31.053 28.738 -0.005 0.000 1.342 90 Q HN 0.006 nan 8.270 nan 0.000 0.427 91 V N 0.426 120.312 119.914 -0.048 0.000 2.446 91 V HA -0.005 4.115 4.120 -0.000 0.000 0.244 91 V C 0.709 176.782 176.094 -0.036 0.000 1.039 91 V CA 0.862 63.131 62.300 -0.052 0.000 1.045 91 V CB 0.248 32.036 31.823 -0.058 0.000 0.681 91 V HN 0.638 nan 8.190 nan 0.000 0.459 92 V N -2.690 117.205 119.914 -0.031 0.000 3.040 92 V HA 0.578 4.697 4.120 -0.000 0.000 0.312 92 V C 1.105 177.185 176.094 -0.023 0.000 1.115 92 V CA 0.051 62.336 62.300 -0.025 0.000 0.998 92 V CB 1.453 33.261 31.823 -0.025 0.000 1.042 92 V HN 0.201 nan 8.190 nan 0.000 0.433 93 S N 1.497 117.187 115.700 -0.018 0.000 2.469 93 S HA -0.048 4.422 4.470 -0.000 0.000 0.238 93 S C 1.262 175.851 174.600 -0.018 0.000 0.998 93 S CA 1.587 59.778 58.200 -0.015 0.000 0.957 93 S CB -0.782 62.412 63.200 -0.010 0.000 0.764 93 S HN 0.769 nan 8.310 nan 0.000 0.514 94 L N 0.783 121.992 121.223 -0.022 0.000 2.558 94 L HA 0.243 4.583 4.340 -0.000 0.000 0.225 94 L C -0.031 176.807 176.870 -0.054 0.000 1.128 94 L CA -0.098 54.726 54.840 -0.026 0.000 0.868 94 L CB -0.390 41.659 42.059 -0.017 0.000 1.006 94 L HN 0.156 nan 8.230 nan 0.000 0.454 95 D N 2.855 123.219 120.400 -0.060 0.000 2.383 95 D HA 0.127 4.767 4.640 -0.000 0.000 0.252 95 D C -2.012 174.207 176.300 -0.135 0.000 1.166 95 D CA -1.212 52.731 54.000 -0.096 0.000 0.879 95 D CB 0.874 41.644 40.800 -0.050 0.000 1.164 95 D HN -0.002 nan 8.370 nan 0.000 0.462 96 P HA -0.009 nan 4.420 nan 0.000 0.265 96 P C 0.514 177.706 177.300 -0.180 0.000 1.193 96 P CA -0.076 62.827 63.100 -0.327 0.000 0.765 96 P CB 0.509 31.639 31.700 -0.949 0.000 0.823 97 T N -1.906 112.601 114.554 -0.079 0.000 3.134 97 T HA 0.309 4.659 4.350 -0.000 0.000 0.260 97 T C 0.355 175.055 174.700 -0.000 0.000 1.027 97 T CA -0.260 61.826 62.100 -0.025 0.000 0.913 97 T CB -0.537 68.331 68.868 -0.000 0.000 1.046 97 T HN 0.592 nan 8.240 nan 0.000 0.553 98 S N 0.377 116.085 115.700 0.015 0.000 2.565 98 S HA 0.594 5.064 4.470 -0.000 0.000 0.274 98 S C -1.184 173.496 174.600 0.135 0.000 1.144 98 S CA -1.204 57.030 58.200 0.057 0.000 0.849 98 S CB 0.603 63.837 63.200 0.056 0.000 1.103 98 S HN 0.307 nan 8.310 nan 0.000 0.455 99 I N 2.917 123.559 120.570 0.120 0.000 2.371 99 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 99 I C -1.978 174.183 176.117 0.073 0.000 1.028 99 I CA -2.005 59.391 61.300 0.161 0.000 1.345 99 I CB 0.867 38.907 38.000 0.067 0.000 1.407 99 I HN 0.504 nan 8.210 nan 0.000 0.501 100 P HA 0.310 nan 4.420 nan 0.000 0.275 100 P C -0.780 176.404 177.300 -0.193 0.000 1.227 100 P CA -0.024 63.010 63.100 -0.110 0.000 0.781 100 P CB 1.351 32.896 31.700 -0.258 0.000 0.906 101 I N 1.816 122.260 120.570 -0.209 0.000 2.586 101 I HA 0.199 4.369 4.170 -0.000 0.000 0.288 101 I C 0.111 176.005 176.117 -0.371 0.000 1.147 101 I CA -0.460 60.644 61.300 -0.327 0.000 1.047 101 I CB 2.140 39.909 38.000 -0.386 0.000 1.244 101 I HN 0.315 nan 8.210 nan 0.000 0.429 102 E N 5.288 125.333 120.200 -0.257 0.000 2.130 102 E HA 0.240 4.590 4.350 -0.000 0.000 0.284 102 E C -0.376 176.184 176.600 -0.066 0.000 1.018 102 E CA -0.102 56.234 56.400 -0.107 0.000 0.817 102 E CB 1.375 31.111 29.700 0.060 0.000 1.078 102 E HN 0.442 nan 8.360 nan 0.000 0.396 103 Y N 1.725 122.081 120.300 0.092 0.000 2.266 103 Y HA 0.002 4.552 4.550 -0.000 0.000 0.294 103 Y C 0.624 176.349 175.900 -0.292 0.000 1.127 103 Y CA 0.023 58.072 58.100 -0.085 0.000 1.140 103 Y CB 0.285 38.646 38.460 -0.165 0.000 1.071 103 Y HN 0.369 nan 8.280 nan 0.000 0.525 104 N N 1.182 119.858 118.700 -0.039 0.000 2.555 104 N HA 0.133 4.872 4.740 -0.000 0.000 0.244 104 N C -0.417 175.087 175.510 -0.009 0.000 1.114 104 N CA -0.205 52.764 53.050 -0.135 0.000 0.963 104 N CB 0.602 39.019 38.487 -0.118 0.000 1.276 104 N HN 0.136 nan 8.380 nan 0.000 0.510 105 T N -1.071 113.580 114.554 0.162 0.000 2.902 105 T HA 0.328 4.678 4.350 -0.000 0.000 0.280 105 T C -1.669 172.964 174.700 -0.113 0.000 0.992 105 T CA -2.023 60.110 62.100 0.054 0.000 1.015 105 T CB 1.562 70.512 68.868 0.137 0.000 1.044 105 T HN 0.029 nan 8.240 nan 0.000 0.520 106 P HA -0.045 nan 4.420 nan 0.000 0.218 106 P C 1.570 178.578 177.300 -0.486 0.000 1.148 106 P CA 0.582 63.331 63.100 -0.585 0.000 0.822 106 P CB -0.109 30.754 31.700 -1.396 0.000 0.784 107 I N -1.290 118.954 120.570 -0.543 0.000 2.361 107 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 107 I C 1.830 177.585 176.117 -0.602 0.000 1.133 107 I CA 1.651 62.550 61.300 -0.668 0.000 1.413 107 I CB -1.842 35.525 38.000 -1.055 0.000 1.073 107 I HN 0.156 nan 8.210 nan 0.000 0.424 108 H N 0.508 119.412 119.070 -0.277 0.000 2.545 108 H HA -0.061 4.495 4.556 -0.000 0.000 0.282 108 H C 1.212 176.430 175.328 -0.183 0.000 1.020 108 H CA 0.875 56.809 56.048 -0.190 0.000 1.243 108 H CB 0.017 29.705 29.762 -0.124 0.000 1.377 108 H HN 0.279 nan 8.280 nan 0.000 0.581 109 D N 0.105 120.436 120.400 -0.116 0.000 2.339 109 D HA 0.054 4.694 4.640 -0.000 0.000 0.217 109 D C 0.180 176.392 176.300 -0.146 0.000 1.050 109 D CA 0.219 54.152 54.000 -0.113 0.000 0.856 109 D CB 0.395 41.126 40.800 -0.116 0.000 0.922 109 D HN 0.374 nan 8.370 nan 0.000 0.518 110 I N 1.527 121.985 120.570 -0.187 0.000 2.379 110 I HA 0.039 4.209 4.170 -0.000 0.000 0.290 110 I C 0.607 176.658 176.117 -0.110 0.000 1.063 110 I CA -0.206 60.999 61.300 -0.159 0.000 1.351 110 I CB 0.550 38.451 38.000 -0.165 0.000 1.410 110 I HN -0.489 nan 8.210 nan 0.000 0.505 111 K N 5.511 125.855 120.400 -0.095 0.000 2.316 111 K HA 0.364 4.683 4.320 -0.000 0.000 0.289 111 K C -0.866 175.781 176.600 0.078 0.000 1.070 111 K CA -0.237 56.054 56.287 0.006 0.000 0.928 111 K CB 0.959 33.497 32.500 0.063 0.000 1.039 111 K HN 0.354 nan 8.250 nan 0.000 0.480 112 V N 5.022 124.978 119.914 0.070 0.000 2.398 112 V HA 0.249 4.369 4.120 -0.000 0.000 0.286 112 V C -0.299 175.801 176.094 0.010 0.000 1.026 112 V CA -0.820 61.525 62.300 0.074 0.000 0.868 112 V CB 1.369 33.261 31.823 0.115 0.000 0.982 112 V HN 0.709 nan 8.190 nan 0.000 0.443 113 Q N 3.666 123.416 119.800 -0.083 0.000 2.375 113 Q HA 0.728 5.068 4.340 -0.000 0.000 0.271 113 Q C -1.494 174.134 176.000 -0.619 0.000 1.074 113 Q CA -0.915 54.699 55.803 -0.315 0.000 0.808 113 Q CB 2.912 31.457 28.738 -0.322 0.000 1.327 113 Q HN 0.447 nan 8.270 nan 0.000 0.441 114 V N 2.493 122.036 119.914 -0.618 0.000 2.357 114 V HA 0.398 4.518 4.120 -0.000 0.000 0.284 114 V C -1.039 174.623 176.094 -0.719 0.000 1.018 114 V CA -0.624 61.347 62.300 -0.548 0.000 0.841 114 V CB -0.076 31.600 31.823 -0.246 0.000 0.991 114 V HN 0.622 nan 8.190 nan 0.000 0.437 115 Y N 1.264 121.379 120.300 -0.309 0.000 2.528 115 Y HA 0.457 5.007 4.550 -0.000 0.000 0.335 115 Y C 0.506 176.312 175.900 -0.156 0.000 1.093 115 Y CA -1.021 56.894 58.100 -0.309 0.000 1.134 115 Y CB 1.119 39.207 38.460 -0.619 0.000 1.253 115 Y HN 0.474 nan 8.280 nan 0.000 0.478 116 D N 1.339 121.823 120.400 0.140 0.000 2.312 116 D HA 0.139 4.779 4.640 -0.000 0.000 0.252 116 D C 1.154 177.599 176.300 0.242 0.000 1.150 116 D CA 0.259 54.339 54.000 0.133 0.000 0.870 116 D CB 1.457 42.317 40.800 0.099 0.000 1.153 116 D HN 0.737 nan 8.370 nan 0.000 0.457 117 I N 3.985 124.687 120.570 0.220 0.000 2.194 117 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 117 I C 2.474 178.686 176.117 0.159 0.000 1.093 117 I CA 2.673 64.109 61.300 0.227 0.000 1.355 117 I CB -1.724 36.372 38.000 0.161 0.000 1.046 117 I HN 0.636 nan 8.210 nan 0.000 0.413 118 K N 1.002 121.473 120.400 0.118 0.000 2.519 118 K HA 0.205 4.525 4.320 -0.000 0.000 0.196 118 K C 2.226 178.876 176.600 0.084 0.000 1.041 118 K CA 1.346 57.683 56.287 0.084 0.000 0.954 118 K CB -1.609 30.929 32.500 0.063 0.000 0.774 118 K HN 1.144 nan 8.250 nan 0.000 0.480 119 G N -0.718 108.153 108.800 0.118 0.000 2.838 119 G HA2 0.423 4.383 3.960 -0.000 0.000 0.210 119 G HA3 0.423 4.383 3.960 -0.000 0.000 0.210 119 G C 0.911 175.868 174.900 0.097 0.000 1.153 119 G CA 0.669 45.834 45.100 0.108 0.000 0.778 119 G HN 1.395 nan 8.290 nan 0.000 0.539 120 G N -1.602 107.254 108.800 0.093 0.000 2.758 120 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 120 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 120 G C -0.419 174.451 174.900 -0.050 0.000 1.389 120 G CA -0.460 44.655 45.100 0.025 0.000 0.845 120 G HN 0.701 nan 8.290 nan 0.000 0.572 121 C N 1.703 120.878 119.300 -0.209 0.000 2.351 121 C HA 0.641 5.101 4.460 -0.000 0.000 0.326 121 C C 0.140 175.000 174.990 -0.216 0.000 1.272 121 C CA -1.263 57.429 59.018 -0.544 0.000 1.650 121 C CB 0.919 28.277 27.740 -0.637 0.000 2.257 121 C HN 0.684 nan 8.230 nan 0.000 0.505 122 N N 1.830 120.466 118.700 -0.108 0.000 2.422 122 N HA 0.322 5.062 4.740 -0.000 0.000 0.266 122 N C -0.461 175.054 175.510 0.008 0.000 1.007 122 N CA -0.173 52.869 53.050 -0.013 0.000 0.941 122 N CB 1.732 40.226 38.487 0.011 0.000 1.115 122 N HN 0.482 nan 8.380 nan 0.000 0.492 123 V N 1.359 121.279 119.914 0.011 0.000 2.622 123 V HA 0.187 4.307 4.120 -0.000 0.000 0.296 123 V C 1.582 177.691 176.094 0.024 0.000 1.174 123 V CA -0.149 62.167 62.300 0.027 0.000 1.391 123 V CB -0.141 31.711 31.823 0.049 0.000 1.553 123 V HN 0.752 nan 8.190 nan 0.000 0.581 124 E N 0.925 121.137 120.200 0.021 0.000 2.112 124 E HA 0.174 4.523 4.350 -0.000 0.000 0.190 124 E C 1.006 177.617 176.600 0.019 0.000 0.979 124 E CA 1.408 57.817 56.400 0.015 0.000 0.814 124 E CB 0.026 29.730 29.700 0.006 0.000 0.762 124 E HN 0.887 nan 8.360 nan 0.000 0.460 125 E N -1.685 118.528 120.200 0.023 0.000 2.317 125 E HA 0.600 4.950 4.350 -0.000 0.000 0.270 125 E C 0.936 177.557 176.600 0.035 0.000 0.885 125 E CA 0.075 56.493 56.400 0.029 0.000 0.760 125 E CB 0.728 30.442 29.700 0.023 0.000 1.227 125 E HN 1.387 nan 8.360 nan 0.000 0.434 126 G N -0.127 108.698 108.800 0.043 0.000 2.583 126 G HA2 0.050 4.010 3.960 -0.000 0.000 0.292 126 G HA3 0.050 4.010 3.960 -0.000 0.000 0.292 126 G C 0.002 174.892 174.900 -0.015 0.000 1.203 126 G CA 0.583 45.706 45.100 0.038 0.000 0.987 126 G HN 1.864 nan 8.290 nan 0.000 0.554 127 L N 0.940 122.146 121.223 -0.027 0.000 2.376 127 L HA 0.748 5.088 4.340 -0.000 0.000 0.275 127 L C 0.068 176.902 176.870 -0.060 0.000 0.987 127 L CA -0.058 54.733 54.840 -0.083 0.000 0.828 127 L CB 1.957 43.943 42.059 -0.121 0.000 1.249 127 L HN 0.736 nan 8.230 nan 0.000 0.409 128 T N 6.340 120.863 114.554 -0.052 0.000 2.771 128 T HA 0.640 4.990 4.350 -0.000 0.000 0.281 128 T C -0.444 174.214 174.700 -0.070 0.000 0.982 128 T CA -0.301 61.758 62.100 -0.069 0.000 0.978 128 T CB 1.028 69.877 68.868 -0.031 0.000 0.930 128 T HN 0.307 nan 8.240 nan 0.000 0.447 129 I N 3.432 123.891 120.570 -0.185 0.000 2.436 129 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 129 I C -0.894 175.069 176.117 -0.256 0.000 1.010 129 I CA -1.201 60.032 61.300 -0.110 0.000 1.098 129 I CB 1.504 39.442 38.000 -0.102 0.000 1.266 129 I HN 0.597 nan 8.210 nan 0.000 0.434 130 F N 5.856 125.828 119.950 0.037 0.000 2.385 130 F HA 0.386 4.913 4.527 -0.000 0.000 0.360 130 F C 0.503 176.301 175.800 -0.004 0.000 1.122 130 F CA -0.540 57.471 58.000 0.018 0.000 1.090 130 F CB 0.936 39.975 39.000 0.065 0.000 1.150 130 F HN 0.137 nan 8.300 nan 0.000 0.472 131 L N 5.808 127.009 121.223 -0.036 0.000 2.433 131 L HA 0.310 4.650 4.340 -0.000 0.000 0.284 131 L C -0.089 176.802 176.870 0.034 0.000 1.120 131 L CA -0.554 54.234 54.840 -0.086 0.000 0.879 131 L CB -0.189 41.621 42.059 -0.416 0.000 1.232 131 L HN 0.425 nan 8.230 nan 0.000 0.454 132 V N 2.023 122.005 119.914 0.113 0.000 2.555 132 V HA 0.684 4.804 4.120 -0.000 0.000 0.302 132 V C -0.494 175.642 176.094 0.070 0.000 1.038 132 V CA -0.557 61.794 62.300 0.085 0.000 0.887 132 V CB 1.991 33.843 31.823 0.048 0.000 0.991 132 V HN 0.813 nan 8.190 nan 0.000 0.434 133 N N 2.854 121.582 118.700 0.047 0.000 2.453 133 N HA 0.440 5.180 4.740 -0.000 0.000 0.290 133 N C -1.109 174.414 175.510 0.021 0.000 1.250 133 N CA -0.868 52.208 53.050 0.044 0.000 0.815 133 N CB 1.676 40.194 38.487 0.051 0.000 1.381 133 N HN 0.821 nan 8.380 nan 0.000 0.510 134 N N -0.670 118.043 118.700 0.021 0.000 2.716 134 N HA 0.374 5.114 4.740 -0.000 0.000 0.253 134 N C -2.752 172.767 175.510 0.016 0.000 1.170 134 N CA -1.526 51.529 53.050 0.008 0.000 0.807 134 N CB 0.896 39.382 38.487 -0.002 0.000 1.183 134 N HN 0.379 nan 8.380 nan 0.000 0.524 135 P HA 0.206 nan 4.420 nan 0.000 0.266 135 P C 0.299 177.609 177.300 0.016 0.000 1.195 135 P CA 0.608 63.720 63.100 0.021 0.000 0.768 135 P CB 0.858 32.571 31.700 0.021 0.000 0.838 140 G N 0.355 109.167 108.800 0.020 0.000 2.557 140 G HA2 0.744 4.704 3.960 -0.000 0.000 0.292 140 G HA3 0.744 4.704 3.960 -0.000 0.000 0.292 140 G C -2.652 172.240 174.900 -0.013 0.000 1.237 140 G CA -1.431 43.670 45.100 0.001 0.000 0.978 140 G HN 0.347 nan 8.290 nan 0.000 0.498 141 P HA 0.132 nan 4.420 nan 0.000 0.267 141 P C -0.180 177.059 177.300 -0.102 0.000 1.200 141 P CA -0.319 62.739 63.100 -0.069 0.000 0.772 141 P CB 0.776 32.427 31.700 -0.082 0.000 0.855 142 V N 2.055 121.872 119.914 -0.161 0.000 2.427 142 V HA 0.425 4.545 4.120 -0.000 0.000 0.268 142 V C 0.865 176.835 176.094 -0.207 0.000 1.046 142 V CA 0.264 62.414 62.300 -0.250 0.000 0.970 142 V CB -0.493 31.024 31.823 -0.511 0.000 1.001 142 V HN 0.588 nan 8.190 nan 0.000 0.476 143 K N 4.813 125.113 120.400 -0.167 0.000 2.270 143 K HA 0.833 5.153 4.320 -0.000 0.000 0.255 143 K C -1.054 175.449 176.600 -0.161 0.000 0.936 143 K CA -0.647 55.545 56.287 -0.159 0.000 0.809 143 K CB 1.791 34.220 32.500 -0.117 0.000 1.131 143 K HN 0.580 nan 8.250 nan 0.000 0.427 144 I N 1.318 121.766 120.570 -0.203 0.000 2.378 144 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 144 I C 1.236 177.253 176.117 -0.168 0.000 0.992 144 I CA 0.002 61.157 61.300 -0.240 0.000 1.154 144 I CB 2.376 40.088 38.000 -0.479 0.000 1.315 144 I HN 0.778 nan 8.210 nan 0.000 0.448 145 S N 3.282 118.928 115.700 -0.090 0.000 2.460 145 S HA 0.233 4.703 4.470 -0.000 0.000 0.226 145 S C 1.175 175.765 174.600 -0.017 0.000 1.057 145 S CA 0.583 58.758 58.200 -0.041 0.000 0.948 145 S CB 0.002 63.201 63.200 -0.002 0.000 0.822 145 S HN 0.800 nan 8.310 nan 0.000 0.512 146 S N 1.502 117.219 115.700 0.028 0.000 2.572 146 S HA 0.543 5.013 4.470 -0.000 0.000 0.279 146 S C 0.046 174.659 174.600 0.022 0.000 1.341 146 S CA 0.016 58.252 58.200 0.060 0.000 1.043 146 S CB -0.162 63.124 63.200 0.143 0.000 0.887 146 S HN 0.628 nan 8.310 nan 0.000 0.516 147 K N 1.525 121.934 120.400 0.015 0.000 2.249 147 K HA 0.628 4.948 4.320 -0.000 0.000 0.280 147 K C -0.558 176.040 176.600 -0.003 0.000 1.033 147 K CA -0.481 55.804 56.287 -0.003 0.000 0.946 147 K CB 0.782 33.282 32.500 -0.000 0.000 1.005 147 K HN 0.752 nan 8.250 nan 0.000 0.469 148 V N 3.846 123.757 119.914 -0.004 0.000 2.334 148 V HA 0.161 4.281 4.120 -0.000 0.000 0.281 148 V C -0.420 175.675 176.094 0.002 0.000 1.016 148 V CA -1.127 61.177 62.300 0.008 0.000 0.832 148 V CB 1.278 33.124 31.823 0.038 0.000 0.999 148 V HN 0.913 nan 8.190 nan 0.000 0.439 149 N N 5.211 123.906 118.700 -0.007 0.000 3.027 149 N HA 0.169 4.909 4.740 -0.000 0.000 0.309 149 N C -0.374 175.138 175.510 0.004 0.000 1.222 149 N CA 0.349 53.397 53.050 -0.003 0.000 1.187 149 N CB -0.221 38.262 38.487 -0.007 0.000 1.458 149 N HN 0.773 nan 8.380 nan 0.000 0.535 150 D N -0.903 119.503 120.400 0.010 0.000 2.540 150 D HA 0.142 4.782 4.640 -0.000 0.000 0.201 150 D C -1.183 175.131 176.300 0.023 0.000 0.980 150 D CA -0.163 53.847 54.000 0.017 0.000 0.896 150 D CB 0.415 41.228 40.800 0.023 0.000 3.727 150 D HN 0.278 nan 8.370 nan 0.000 0.466 154 S N 0.781 116.524 115.700 0.071 0.000 2.371 154 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 154 S C 2.166 176.766 174.600 -0.001 0.000 1.029 154 S CA 2.337 60.546 58.200 0.016 0.000 0.978 154 S CB 0.134 63.332 63.200 -0.004 0.000 0.833 154 S HN 1.230 nan 8.310 nan 0.000 0.466 155 E N 0.571 120.785 120.200 0.024 0.000 2.204 155 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 155 E C 1.586 178.196 176.600 0.017 0.000 0.990 155 E CA 1.285 57.689 56.400 0.006 0.000 0.821 155 E CB -0.963 28.747 29.700 0.017 0.000 0.750 155 E HN 0.651 nan 8.360 nan 0.000 0.477 156 F N 0.401 120.311 119.950 -0.067 0.000 2.163 156 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 156 F C 1.924 177.667 175.800 -0.095 0.000 1.094 156 F CA 1.089 59.038 58.000 -0.085 0.000 1.290 156 F CB 0.101 39.061 39.000 -0.065 0.000 1.017 156 F HN 0.123 nan 8.300 nan 0.000 0.483 157 L N 0.771 121.845 121.223 -0.249 0.000 2.612 157 L HA 0.106 4.446 4.340 -0.000 0.000 0.230 157 L C 1.155 177.842 176.870 -0.306 0.000 1.140 157 L CA 0.110 54.724 54.840 -0.376 0.000 0.896 157 L CB -1.549 40.347 42.059 -0.272 0.000 1.065 157 L HN 0.046 nan 8.230 nan 0.000 0.447 158 K N 0.518 120.773 120.400 -0.242 0.000 2.524 158 K HA -0.079 4.241 4.320 -0.000 0.000 0.279 158 K C 0.842 177.311 176.600 -0.217 0.000 0.993 158 K CA 0.302 56.476 56.287 -0.188 0.000 1.030 158 K CB -0.081 32.331 32.500 -0.146 0.000 0.891 158 K HN 0.048 nan 8.250 nan 0.000 0.488 159 D N 2.023 122.317 120.400 -0.177 0.000 2.149 159 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 159 D C 2.399 178.586 176.300 -0.188 0.000 1.001 159 D CA 2.240 56.136 54.000 -0.175 0.000 0.849 159 D CB -0.348 40.372 40.800 -0.133 0.000 0.939 159 D HN 0.899 nan 8.370 nan 0.000 0.449 160 E N 0.467 120.566 120.200 -0.168 0.000 2.070 160 E HA -0.301 4.049 4.350 -0.000 0.000 0.197 160 E C 1.969 178.433 176.600 -0.226 0.000 1.004 160 E CA 2.188 58.487 56.400 -0.168 0.000 0.805 160 E CB -1.810 27.811 29.700 -0.131 0.000 0.744 160 E HN 0.626 nan 8.360 nan 0.000 0.451 161 N N 0.089 118.627 118.700 -0.271 0.000 2.207 161 N HA -0.029 4.711 4.740 -0.000 0.000 0.182 161 N C 2.130 177.339 175.510 -0.502 0.000 1.020 161 N CA 1.653 54.483 53.050 -0.366 0.000 0.858 161 N CB -0.339 37.924 38.487 -0.373 0.000 0.991 161 N HN 0.379 nan 8.380 nan 0.000 0.427 162 M N 0.680 120.033 119.600 -0.412 0.000 2.213 162 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 162 M C 2.555 178.657 176.300 -0.328 0.000 1.062 162 M CA 1.638 56.744 55.300 -0.322 0.000 1.105 162 M CB -1.362 31.077 32.600 -0.269 0.000 1.385 162 M HN 0.725 nan 8.290 nan 0.000 0.417 163 E N 1.340 121.361 120.200 -0.298 0.000 2.267 163 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 163 E C 2.201 178.631 176.600 -0.285 0.000 0.998 163 E CA 2.140 58.398 56.400 -0.236 0.000 0.830 163 E CB -1.203 28.387 29.700 -0.184 0.000 0.751 163 E HN 0.706 nan 8.360 nan 0.000 0.491 164 K N -0.354 119.756 120.400 -0.484 0.000 2.360 164 K HA 0.198 4.518 4.320 -0.000 0.000 0.201 164 K C 0.724 177.034 176.600 -0.482 0.000 1.046 164 K CA 1.133 57.080 56.287 -0.566 0.000 0.945 164 K CB -0.614 31.423 32.500 -0.772 0.000 0.750 164 K HN 0.565 nan 8.250 nan 0.000 0.464 165 F N -0.238 119.684 119.950 -0.046 0.000 2.541 165 F HA 0.454 4.981 4.527 -0.000 0.000 0.331 165 F C 0.418 176.172 175.800 -0.077 0.000 1.057 165 F CA -1.343 56.658 58.000 0.001 0.000 0.975 165 F CB 1.873 40.893 39.000 0.032 0.000 1.246 165 F HN 0.286 nan 8.300 nan 0.000 0.484 166 N N -1.765 117.071 118.700 0.227 0.000 2.312 166 N HA 0.455 5.195 4.740 -0.000 0.000 0.296 166 N C -0.923 174.670 175.510 0.139 0.000 1.193 166 N CA -0.877 52.237 53.050 0.106 0.000 0.773 166 N CB 1.823 40.377 38.487 0.111 0.000 1.435 166 N HN 0.278 nan 8.380 nan 0.000 0.484 167 V N -0.871 119.092 119.914 0.083 0.000 3.633 167 V HA 0.102 4.222 4.120 -0.000 0.000 0.283 167 V C 0.751 176.927 176.094 0.137 0.000 1.305 167 V CA -0.006 62.363 62.300 0.115 0.000 1.153 167 V CB -1.723 30.128 31.823 0.046 0.000 0.950 167 V HN 0.799 nan 8.190 nan 0.000 0.432 168 K N 1.903 122.381 120.400 0.129 0.000 2.511 168 K HA -0.089 4.231 4.320 -0.000 0.000 0.277 168 K C -0.168 176.498 176.600 0.109 0.000 1.025 168 K CA 0.357 56.706 56.287 0.103 0.000 1.112 168 K CB -0.092 32.465 32.500 0.094 0.000 0.859 168 K HN 0.324 nan 8.250 nan 0.000 0.485 169 L N 4.868 126.143 121.223 0.088 0.000 2.601 169 L HA 0.028 4.368 4.340 -0.000 0.000 0.277 169 L C 1.256 178.169 176.870 0.072 0.000 1.219 169 L CA 1.641 56.531 54.840 0.084 0.000 0.915 169 L CB -0.276 41.828 42.059 0.074 0.000 1.160 169 L HN 1.143 nan 8.230 nan 0.000 0.494 170 G N 1.580 110.419 108.800 0.064 0.000 2.205 170 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.261 170 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.261 170 G C 0.547 175.448 174.900 0.002 0.000 0.980 170 G CA 0.400 45.518 45.100 0.029 0.000 0.632 170 G HN 0.991 nan 8.290 nan 0.000 0.533 171 T N 0.211 114.785 114.554 0.034 0.000 2.902 171 T HA 0.659 5.009 4.350 -0.000 0.000 0.301 171 T C 0.682 175.260 174.700 -0.203 0.000 1.012 171 T CA 1.526 63.626 62.100 -0.000 0.000 1.151 171 T CB 0.241 69.189 68.868 0.134 0.000 0.946 171 T HN 1.924 nan 8.240 nan 0.000 0.542 172 S N 0.364 115.879 115.700 -0.309 0.000 2.599 172 S HA 0.980 5.450 4.470 -0.000 0.000 0.287 172 S C -0.576 173.702 174.600 -0.537 0.000 1.105 172 S CA -0.112 57.730 58.200 -0.597 0.000 0.899 172 S CB 1.583 64.580 63.200 -0.339 0.000 1.100 172 S HN 1.340 nan 8.310 nan 0.000 0.482 173 K N 0.842 120.850 120.400 -0.653 0.000 2.508 173 K HA 0.768 5.088 4.320 -0.000 0.000 0.260 173 K C -1.181 175.364 176.600 -0.091 0.000 0.949 173 K CA -0.762 55.320 56.287 -0.342 0.000 0.834 173 K CB 1.275 33.518 32.500 -0.430 0.000 1.365 173 K HN 1.452 nan 8.250 nan 0.000 0.437 174 H N 0.073 118.969 119.070 -0.290 0.000 3.087 174 H HA 0.661 5.217 4.556 -0.000 0.000 0.348 174 H C -1.913 173.224 175.328 -0.320 0.000 1.092 174 H CA -1.188 54.772 56.048 -0.147 0.000 1.285 174 H CB 0.802 30.461 29.762 -0.172 0.000 1.875 174 H HN 0.425 nan 8.280 nan 0.000 0.512 175 F N 1.815 121.655 119.950 -0.184 0.000 2.508 175 F HA 0.384 4.911 4.527 -0.000 0.000 0.325 175 F C -0.348 175.265 175.800 -0.313 0.000 1.090 175 F CA -0.972 56.891 58.000 -0.230 0.000 0.945 175 F CB 1.711 40.538 39.000 -0.288 0.000 1.156 175 F HN 0.397 nan 8.300 nan 0.000 0.463 176 Y N 4.019 124.322 120.300 0.005 0.000 2.319 176 Y HA 0.547 5.097 4.550 -0.000 0.000 0.328 176 Y C 0.411 176.297 175.900 -0.023 0.000 1.133 176 Y CA -0.527 57.568 58.100 -0.007 0.000 1.265 176 Y CB 1.066 39.523 38.460 -0.005 0.000 1.218 176 Y HN 0.467 nan 8.280 nan 0.000 0.508 177 M N 1.179 120.818 119.600 0.064 0.000 2.603 177 M HA 0.702 5.182 4.480 -0.000 0.000 0.275 177 M C -1.714 174.604 176.300 0.030 0.000 1.226 177 M CA -1.014 54.295 55.300 0.015 0.000 0.870 177 M CB 0.923 33.467 32.600 -0.094 0.000 1.716 177 M HN 0.459 nan 8.290 nan 0.000 0.482 178 F N 2.412 122.380 119.950 0.031 0.000 2.438 178 F HA 0.488 5.015 4.527 -0.000 0.000 0.356 178 F C 0.372 176.182 175.800 0.018 0.000 1.099 178 F CA -0.510 57.508 58.000 0.030 0.000 1.185 178 F CB -0.018 39.001 39.000 0.031 0.000 1.115 178 F HN 0.915 nan 8.300 nan 0.000 0.526 179 N N 1.147 119.858 118.700 0.018 0.000 2.327 179 N HA -0.003 4.737 4.740 -0.000 0.000 0.285 179 N C 0.434 175.955 175.510 0.018 0.000 1.299 179 N CA 0.614 53.674 53.050 0.017 0.000 0.944 179 N CB -0.206 38.292 38.487 0.017 0.000 1.067 179 N HN 0.546 nan 8.380 nan 0.000 0.514 180 D N -0.471 119.940 120.400 0.017 0.000 2.084 180 D HA -0.083 4.557 4.640 -0.000 0.000 0.194 180 D C 0.830 177.138 176.300 0.014 0.000 0.990 180 D CA 1.180 55.189 54.000 0.015 0.000 0.826 180 D CB -0.449 40.359 40.800 0.013 0.000 0.971 180 D HN 0.536 nan 8.370 nan 0.000 0.453 181 N N 0.598 119.306 118.700 0.014 0.000 2.501 181 N HA -0.024 4.716 4.740 -0.000 0.000 0.195 181 N C 1.113 176.632 175.510 0.015 0.000 1.213 181 N CA 1.077 54.135 53.050 0.013 0.000 0.864 181 N CB 0.268 38.762 38.487 0.012 0.000 0.999 181 N HN 0.308 nan 8.380 nan 0.000 0.454 182 K N -0.839 119.572 120.400 0.017 0.000 3.553 182 K HA -0.183 4.137 4.320 -0.000 0.000 0.303 182 K C 0.188 176.802 176.600 0.024 0.000 1.327 182 K CA 1.107 57.406 56.287 0.020 0.000 0.983 182 K CB -2.542 29.968 32.500 0.017 0.000 1.275 182 K HN 0.474 nan 8.250 nan 0.000 0.453 183 N N 0.483 119.198 118.700 0.025 0.000 2.525 183 N HA 0.481 5.221 4.740 -0.000 0.000 0.271 183 N C 0.591 176.126 175.510 0.042 0.000 1.194 183 N CA 0.598 53.667 53.050 0.032 0.000 0.964 183 N CB 1.240 39.744 38.487 0.029 0.000 1.126 183 N HN 0.899 nan 8.380 nan 0.000 0.452 184 S N 0.564 116.299 115.700 0.058 0.000 2.455 184 S HA 0.509 4.979 4.470 -0.000 0.000 0.278 184 S C 0.307 174.958 174.600 0.084 0.000 1.216 184 S CA -0.591 57.663 58.200 0.090 0.000 1.055 184 S CB -0.394 62.883 63.200 0.128 0.000 0.939 184 S HN 0.594 nan 8.310 nan 0.000 0.494 185 V N 0.970 120.912 119.914 0.047 0.000 2.960 185 V HA 0.985 5.105 4.120 -0.000 0.000 0.315 185 V C 0.065 176.085 176.094 -0.122 0.000 1.087 185 V CA -0.865 61.428 62.300 -0.012 0.000 0.982 185 V CB 1.582 33.399 31.823 -0.010 0.000 1.039 185 V HN 1.396 nan 8.190 nan 0.000 0.437 186 A N 2.378 125.052 122.820 -0.243 0.000 2.343 186 A HA 0.977 5.297 4.320 -0.000 0.000 0.308 186 A C -0.520 176.943 177.584 -0.202 0.000 1.092 186 A CA 0.066 51.833 52.037 -0.449 0.000 0.751 186 A CB 0.894 19.299 19.000 -0.991 0.000 1.203 186 A HN 2.593 nan 8.150 nan 0.000 0.452 187 V N 1.147 120.978 119.914 -0.138 0.000 2.628 187 V HA 0.972 5.092 4.120 -0.000 0.000 0.306 187 V C 0.361 176.622 176.094 0.277 0.000 1.045 187 V CA -0.031 62.327 62.300 0.098 0.000 0.905 187 V CB 1.731 33.665 31.823 0.185 0.000 0.997 187 V HN 1.645 nan 8.190 nan 0.000 0.436 188 G N 2.017 111.045 108.800 0.380 0.000 2.606 188 G HA2 0.736 4.696 3.960 -0.000 0.000 0.300 188 G HA3 0.736 4.696 3.960 -0.000 0.000 0.300 188 G C -1.608 173.539 174.900 0.412 0.000 1.360 188 G CA 0.099 45.431 45.100 0.386 0.000 0.783 188 G HN 2.015 nan 8.290 nan 0.000 0.484 189 Y N -1.707 118.696 120.300 0.172 0.000 2.581 189 Y HA 0.814 5.364 4.550 -0.000 0.000 0.345 189 Y C -1.199 174.734 175.900 0.055 0.000 1.036 189 Y CA -1.643 56.543 58.100 0.144 0.000 1.042 189 Y CB 1.870 40.407 38.460 0.129 0.000 1.289 189 Y HN 0.456 nan 8.280 nan 0.000 0.471 190 V N 2.641 122.576 119.914 0.035 0.000 2.409 190 V HA 0.573 4.693 4.120 -0.000 0.000 0.291 190 V C 0.602 176.818 176.094 0.203 0.000 1.020 190 V CA -0.606 61.659 62.300 -0.058 0.000 0.848 190 V CB 1.208 33.002 31.823 -0.050 0.000 0.990 190 V HN 1.146 nan 8.190 nan 0.000 0.430 191 G N 2.963 111.917 108.800 0.255 0.000 2.150 191 G HA2 0.058 4.018 3.960 -0.000 0.000 0.250 191 G HA3 0.058 4.018 3.960 -0.000 0.000 0.250 191 G C 0.558 175.545 174.900 0.146 0.000 1.179 191 G CA 0.005 45.269 45.100 0.273 0.000 0.934 191 G HN 0.912 nan 8.290 nan 0.000 0.453 192 C N 2.957 122.334 119.300 0.128 0.000 2.994 192 C HA 0.609 5.069 4.460 -0.000 0.000 0.284 192 C C 1.749 176.790 174.990 0.084 0.000 1.404 192 C CA -0.003 59.072 59.018 0.093 0.000 1.775 192 C CB -1.456 26.329 27.740 0.075 0.000 2.458 192 C HN 1.424 nan 8.230 nan 0.000 0.593 193 G N 1.671 110.523 108.800 0.087 0.000 2.601 193 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.261 193 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.261 193 G C 0.820 175.755 174.900 0.058 0.000 1.289 193 G CA 0.344 45.487 45.100 0.072 0.000 0.920 193 G HN 0.350 nan 8.290 nan 0.000 0.571 194 S N -0.947 114.784 115.700 0.051 0.000 2.514 194 S HA 0.279 4.749 4.470 -0.000 0.000 0.223 194 S C 1.166 175.792 174.600 0.044 0.000 1.046 194 S CA 0.610 58.835 58.200 0.042 0.000 0.914 194 S CB 0.281 63.502 63.200 0.035 0.000 0.807 194 S HN 1.103 nan 8.310 nan 0.000 0.497 195 V N 2.790 122.734 119.914 0.050 0.000 2.644 195 V HA 0.152 4.272 4.120 -0.000 0.000 0.305 195 V C 1.409 177.536 176.094 0.055 0.000 1.053 195 V CA 0.269 62.600 62.300 0.052 0.000 1.186 195 V CB -0.269 31.589 31.823 0.057 0.000 0.895 195 V HN 0.378 nan 8.190 nan 0.000 0.490 196 A N 3.515 126.366 122.820 0.052 0.000 1.826 196 A HA 0.147 4.467 4.320 -0.000 0.000 0.214 196 A C 1.351 178.974 177.584 0.064 0.000 1.212 196 A CA 1.131 53.200 52.037 0.054 0.000 0.605 196 A CB -0.929 18.098 19.000 0.046 0.000 0.861 196 A HN 1.029 nan 8.150 nan 0.000 0.447 197 D N 0.133 120.570 120.400 0.062 0.000 2.348 197 D HA 0.491 5.131 4.640 -0.000 0.000 0.253 197 D C -0.519 175.826 176.300 0.075 0.000 1.161 197 D CA -0.347 53.696 54.000 0.070 0.000 0.876 197 D CB 0.321 41.158 40.800 0.062 0.000 1.160 197 D HN 0.155 nan 8.370 nan 0.000 0.459 198 L N 2.139 123.415 121.223 0.089 0.000 2.350 198 L HA 0.408 4.748 4.340 -0.000 0.000 0.275 198 L C 1.346 178.264 176.870 0.080 0.000 1.099 198 L CA -0.684 54.213 54.840 0.095 0.000 0.808 198 L CB 1.598 43.731 42.059 0.123 0.000 1.149 198 L HN 0.655 nan 8.230 nan 0.000 0.442 199 S N 1.990 117.735 115.700 0.075 0.000 2.614 199 S HA 0.116 4.586 4.470 -0.000 0.000 0.265 199 S C 1.094 175.706 174.600 0.020 0.000 1.303 199 S CA -0.195 58.034 58.200 0.049 0.000 1.000 199 S CB 0.671 63.914 63.200 0.071 0.000 0.935 199 S HN 0.710 nan 8.310 nan 0.000 0.551 200 E N 1.546 121.687 120.200 -0.098 0.000 2.136 200 E HA -0.287 4.063 4.350 -0.000 0.000 0.202 200 E C 1.849 178.480 176.600 0.051 0.000 1.019 200 E CA 1.971 58.218 56.400 -0.254 0.000 0.819 200 E CB -0.744 28.723 29.700 -0.390 0.000 0.739 200 E HN 0.819 nan 8.360 nan 0.000 0.458 201 A N 1.146 124.022 122.820 0.093 0.000 1.898 201 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 201 A C 1.870 179.546 177.584 0.152 0.000 1.183 201 A CA 1.453 53.577 52.037 0.146 0.000 0.622 201 A CB -0.308 18.774 19.000 0.136 0.000 0.824 201 A HN 0.266 nan 8.150 nan 0.000 0.444 202 D N -0.583 119.897 120.400 0.133 0.000 2.117 202 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 202 D C 1.779 178.179 176.300 0.166 0.000 0.987 202 D CA 1.651 55.729 54.000 0.130 0.000 0.829 202 D CB -0.398 40.469 40.800 0.112 0.000 0.961 202 D HN 0.369 nan 8.370 nan 0.000 0.460 203 M N 1.228 120.965 119.600 0.227 0.000 2.080 203 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 203 M C 2.117 178.580 176.300 0.272 0.000 1.068 203 M CA 1.459 56.949 55.300 0.317 0.000 1.109 203 M CB -0.324 32.570 32.600 0.489 0.000 1.342 203 M HN -0.260 nan 8.290 nan 0.000 0.405 204 K N -0.313 120.268 120.400 0.301 0.000 2.089 204 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 204 K C 2.231 178.886 176.600 0.091 0.000 1.048 204 K CA 2.037 58.424 56.287 0.166 0.000 0.926 204 K CB -0.619 32.003 32.500 0.203 0.000 0.714 204 K HN 0.595 nan 8.250 nan 0.000 0.448 205 R N -0.465 120.099 120.500 0.106 0.000 2.090 205 R HA 0.005 4.345 4.340 -0.000 0.000 0.228 205 R C 2.357 178.686 176.300 0.048 0.000 1.110 205 R CA 1.302 57.444 56.100 0.070 0.000 0.973 205 R CB -0.364 29.981 30.300 0.076 0.000 0.869 205 R HN 0.164 nan 8.270 nan 0.000 0.440 206 V N 0.369 120.328 119.914 0.075 0.000 2.295 206 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 206 V C 2.306 178.413 176.094 0.021 0.000 1.049 206 V CA 1.570 63.910 62.300 0.067 0.000 1.024 206 V CB -0.314 31.586 31.823 0.129 0.000 0.648 206 V HN 0.107 nan 8.190 nan 0.000 0.447 207 V N -0.294 119.616 119.914 -0.006 0.000 2.343 207 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 207 V C 2.333 178.335 176.094 -0.153 0.000 1.051 207 V CA 1.785 63.993 62.300 -0.153 0.000 1.036 207 V CB -0.534 31.111 31.823 -0.296 0.000 0.654 207 V HN 0.434 nan 8.190 nan 0.000 0.451 208 L N 0.020 121.191 121.223 -0.087 0.000 2.083 208 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 208 L C 2.705 179.517 176.870 -0.096 0.000 1.083 208 L CA 1.980 56.774 54.840 -0.078 0.000 0.752 208 L CB -0.601 41.444 42.059 -0.023 0.000 0.899 208 L HN 0.449 nan 8.230 nan 0.000 0.433 209 S N -0.132 115.520 115.700 -0.080 0.000 2.383 209 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 209 S C 1.913 176.425 174.600 -0.147 0.000 1.026 209 S CA 0.769 58.913 58.200 -0.094 0.000 0.981 209 S CB -0.115 63.043 63.200 -0.070 0.000 0.818 209 S HN 0.255 nan 8.310 nan 0.000 0.472 210 L N 1.954 123.081 121.223 -0.159 0.000 1.994 210 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 210 L C 2.388 179.080 176.870 -0.296 0.000 1.071 210 L CA 1.807 56.519 54.840 -0.214 0.000 0.745 210 L CB -1.174 40.770 42.059 -0.191 0.000 0.892 210 L HN 0.243 nan 8.230 nan 0.000 0.431 211 V N -0.666 119.056 119.914 -0.320 0.000 2.490 211 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 211 V C 2.468 178.319 176.094 -0.404 0.000 1.061 211 V CA 1.912 63.945 62.300 -0.445 0.000 1.064 211 V CB -0.996 30.587 31.823 -0.400 0.000 0.670 211 V HN 0.542 nan 8.190 nan 0.000 0.461 212 T N 0.041 114.463 114.554 -0.220 0.000 2.665 212 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 212 T C 1.878 176.501 174.700 -0.129 0.000 1.035 212 T CA 2.070 64.102 62.100 -0.114 0.000 1.151 212 T CB -0.309 68.516 68.868 -0.073 0.000 0.862 212 T HN 0.349 nan 8.240 nan 0.000 0.438 213 M N 0.159 119.633 119.600 -0.211 0.000 2.159 213 M HA 0.023 4.503 4.480 -0.000 0.000 0.263 213 M C 2.145 178.295 176.300 -0.251 0.000 1.063 213 M CA 1.428 56.551 55.300 -0.296 0.000 1.110 213 M CB -0.424 31.895 32.600 -0.468 0.000 1.374 213 M HN 0.192 nan 8.290 nan 0.000 0.411 214 L N -1.629 119.428 121.223 -0.277 0.000 2.179 214 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 214 L C 2.077 178.934 176.870 -0.022 0.000 1.096 214 L CA 1.044 55.742 54.840 -0.236 0.000 0.779 214 L CB -0.612 41.141 42.059 -0.511 0.000 0.922 214 L HN 0.374 nan 8.230 nan 0.000 0.443 215 H N -0.509 118.532 119.070 -0.049 0.000 2.495 215 H HA -0.100 4.456 4.556 -0.000 0.000 0.287 215 H C 0.489 175.784 175.328 -0.054 0.000 1.033 215 H CA 0.933 56.957 56.048 -0.040 0.000 1.307 215 H CB 0.234 29.971 29.762 -0.041 0.000 1.401 215 H HN 0.472 nan 8.280 nan 0.000 0.555 216 D N -0.763 119.680 120.400 0.071 0.000 2.892 216 D HA 0.114 4.754 4.640 -0.000 0.000 0.291 216 D C -0.932 175.396 176.300 0.047 0.000 1.341 216 D CA -0.445 53.581 54.000 0.043 0.000 0.844 216 D CB -0.276 40.549 40.800 0.042 0.000 1.093 216 D HN 0.117 nan 8.370 nan 0.000 0.480 217 N N -0.890 117.835 118.700 0.042 0.000 2.542 217 N HA 0.174 4.914 4.740 -0.000 0.000 0.288 217 N C -1.588 173.959 175.510 0.062 0.000 1.115 217 N CA -0.811 52.286 53.050 0.078 0.000 0.924 217 N CB 1.681 40.220 38.487 0.088 0.000 1.526 217 N HN -0.173 nan 8.380 nan 0.000 0.515 218 K N 2.372 122.810 120.400 0.062 0.000 2.262 218 K HA 0.410 4.730 4.320 -0.000 0.000 0.288 218 K C -0.539 176.109 176.600 0.080 0.000 1.090 218 K CA -0.308 56.009 56.287 0.051 0.000 0.918 218 K CB -0.594 31.924 32.500 0.030 0.000 1.139 218 K HN 0.375 nan 8.250 nan 0.000 0.462 219 L N 1.028 122.298 121.223 0.078 0.000 2.401 219 L HA 0.405 4.745 4.340 -0.000 0.000 0.266 219 L C 1.454 178.380 176.870 0.094 0.000 0.991 219 L CA -0.594 54.297 54.840 0.086 0.000 0.818 219 L CB 2.385 44.478 42.059 0.057 0.000 1.321 219 L HN 0.633 nan 8.230 nan 0.000 0.413 220 S N -0.438 115.326 115.700 0.106 0.000 2.427 220 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 220 S C 0.738 175.443 174.600 0.175 0.000 1.047 220 S CA 0.151 58.432 58.200 0.136 0.000 0.953 220 S CB 0.265 63.556 63.200 0.152 0.000 0.824 220 S HN 0.298 nan 8.310 nan 0.000 0.502 221 K N 0.723 121.216 120.400 0.155 0.000 2.221 221 K HA 0.690 5.010 4.320 -0.000 0.000 0.258 221 K C -1.612 175.041 176.600 0.089 0.000 0.944 221 K CA -0.922 55.465 56.287 0.167 0.000 0.823 221 K CB 1.124 33.706 32.500 0.136 0.000 1.113 221 K HN 0.437 nan 8.250 nan 0.000 0.431 222 L N 3.485 124.756 121.223 0.081 0.000 2.325 222 L HA 0.625 4.965 4.340 -0.000 0.000 0.281 222 L C -0.231 176.677 176.870 0.064 0.000 1.004 222 L CA 0.152 55.005 54.840 0.023 0.000 0.823 222 L CB 1.935 43.964 42.059 -0.049 0.000 1.236 222 L HN 0.928 nan 8.230 nan 0.000 0.415 223 T N 2.466 117.051 114.554 0.052 0.000 2.855 223 T HA 0.806 5.156 4.350 -0.000 0.000 0.281 223 T C -0.808 173.893 174.700 0.003 0.000 1.007 223 T CA -0.651 61.506 62.100 0.094 0.000 1.009 223 T CB 1.537 70.514 68.868 0.183 0.000 0.983 223 T HN 0.402 nan 8.240 nan 0.000 0.455 224 V N 3.662 123.604 119.914 0.046 0.000 2.531 224 V HA 0.514 4.634 4.120 -0.000 0.000 0.301 224 V C -0.449 175.606 176.094 -0.066 0.000 1.034 224 V CA -0.808 61.450 62.300 -0.071 0.000 0.865 224 V CB 2.013 33.846 31.823 0.017 0.000 0.995 224 V HN 0.939 nan 8.190 nan 0.000 0.424 225 V N 5.248 124.979 119.914 -0.304 0.000 2.370 225 V HA 0.440 4.560 4.120 -0.000 0.000 0.283 225 V C -0.499 175.490 176.094 -0.176 0.000 1.023 225 V CA -0.425 61.758 62.300 -0.194 0.000 0.857 225 V CB 1.355 32.844 31.823 -0.557 0.000 0.985 225 V HN 0.693 nan 8.190 nan 0.000 0.443 226 F N 3.307 123.217 119.950 -0.067 0.000 2.451 226 F HA 0.332 4.859 4.527 -0.000 0.000 0.356 226 F C 1.347 177.140 175.800 -0.011 0.000 1.178 226 F CA -0.203 57.744 58.000 -0.088 0.000 1.210 226 F CB 0.389 39.285 39.000 -0.173 0.000 1.504 226 F HN 0.548 nan 8.300 nan 0.000 0.598 227 E N 4.544 124.807 120.200 0.105 0.000 2.349 227 E HA 0.174 4.524 4.350 -0.000 0.000 0.201 227 E C 0.134 176.787 176.600 0.089 0.000 1.087 227 E CA 0.047 56.518 56.400 0.118 0.000 1.128 227 E CB 0.221 30.004 29.700 0.139 0.000 1.188 227 E HN 0.601 nan 8.360 nan 0.000 0.445 228 I N -3.224 117.410 120.570 0.106 0.000 3.074 228 I HA 0.448 4.618 4.170 -0.000 0.000 0.310 228 I C -0.877 175.322 176.117 0.136 0.000 1.153 228 I CA -1.393 59.968 61.300 0.103 0.000 0.993 228 I CB 1.949 40.001 38.000 0.086 0.000 1.237 228 I HN -0.302 nan 8.210 nan 0.000 0.443 229 N N 1.758 120.526 118.700 0.114 0.000 2.472 229 N HA 0.583 5.323 4.740 -0.000 0.000 0.277 229 N C -0.995 174.596 175.510 0.135 0.000 1.081 229 N CA -0.373 52.744 53.050 0.112 0.000 0.973 229 N CB 1.853 40.393 38.487 0.089 0.000 1.105 229 N HN 0.572 nan 8.380 nan 0.000 0.470 230 V N -0.537 119.458 119.914 0.135 0.000 2.623 230 V HA 0.425 4.545 4.120 -0.000 0.000 0.304 230 V C -0.266 175.967 176.094 0.231 0.000 1.054 230 V CA -1.193 61.210 62.300 0.171 0.000 0.882 230 V CB 1.640 33.577 31.823 0.190 0.000 1.002 230 V HN 0.518 nan 8.190 nan 0.000 0.424 231 D N 3.231 123.741 120.400 0.185 0.000 2.622 231 D HA -0.052 4.588 4.640 -0.000 0.000 0.227 231 D C 1.242 177.703 176.300 0.268 0.000 1.159 231 D CA 0.828 54.925 54.000 0.162 0.000 0.865 231 D CB 1.043 41.917 40.800 0.124 0.000 1.207 231 D HN 0.776 nan 8.370 nan 0.000 0.492 232 K N 2.202 122.693 120.400 0.152 0.000 2.032 232 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 232 K C 1.647 178.410 176.600 0.272 0.000 1.048 232 K CA 1.170 57.567 56.287 0.184 0.000 0.927 232 K CB -0.065 32.405 32.500 -0.050 0.000 0.712 232 K HN 0.400 nan 8.250 nan 0.000 0.441 233 N N 1.045 119.848 118.700 0.172 0.000 2.149 233 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 233 N C 1.707 177.358 175.510 0.234 0.000 1.019 233 N CA 0.963 54.112 53.050 0.165 0.000 0.857 233 N CB -0.213 38.333 38.487 0.099 0.000 0.997 233 N HN 0.072 nan 8.380 nan 0.000 0.426 234 L N 0.039 121.410 121.223 0.246 0.000 2.240 234 L HA 0.080 4.420 4.340 -0.000 0.000 0.211 234 L C 1.844 178.947 176.870 0.388 0.000 1.106 234 L CA 0.955 55.972 54.840 0.294 0.000 0.793 234 L CB -0.672 41.523 42.059 0.226 0.000 0.927 234 L HN 0.021 nan 8.230 nan 0.000 0.446 235 F N 0.119 120.182 119.950 0.188 0.000 2.163 235 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 235 F C 2.680 178.583 175.800 0.173 0.000 1.094 235 F CA 1.639 59.693 58.000 0.090 0.000 1.290 235 F CB -0.311 38.661 39.000 -0.046 0.000 1.017 235 F HN 0.024 nan 8.300 nan 0.000 0.483 236 R N -0.543 120.027 120.500 0.116 0.000 2.081 236 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 236 R C 2.397 178.675 176.300 -0.035 0.000 1.131 236 R CA 1.924 58.002 56.100 -0.037 0.000 0.960 236 R CB -0.920 29.431 30.300 0.085 0.000 0.856 236 R HN 0.420 nan 8.270 nan 0.000 0.436 237 F N 0.739 120.684 119.950 -0.008 0.000 2.134 237 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 237 F C 1.879 177.655 175.800 -0.039 0.000 1.097 237 F CA 1.548 59.551 58.000 0.004 0.000 1.264 237 F CB -0.612 38.422 39.000 0.057 0.000 1.001 237 F HN 0.077 nan 8.300 nan 0.000 0.479 238 F N 0.175 120.058 119.950 -0.112 0.000 2.126 238 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 238 F C 1.727 177.250 175.800 -0.462 0.000 1.096 238 F CA 1.571 59.434 58.000 -0.228 0.000 1.255 238 F CB -0.555 38.428 39.000 -0.028 0.000 0.997 238 F HN 0.019 nan 8.300 nan 0.000 0.479 239 L N 0.767 121.655 121.223 -0.558 0.000 2.044 239 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 239 L C 2.335 178.531 176.870 -1.124 0.000 1.075 239 L CA 1.771 56.062 54.840 -0.915 0.000 0.747 239 L CB -1.191 40.408 42.059 -0.768 0.000 0.903 239 L HN 0.179 nan 8.230 nan 0.000 0.435 240 E N -1.350 118.471 120.200 -0.632 0.000 2.058 240 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 240 E C 1.970 178.380 176.600 -0.316 0.000 0.997 240 E CA 1.908 58.125 56.400 -0.306 0.000 0.801 240 E CB -0.242 29.390 29.700 -0.113 0.000 0.746 240 E HN 0.438 nan 8.360 nan 0.000 0.450 241 T N 1.598 115.802 114.554 -0.584 0.000 2.746 241 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 241 T C 1.842 176.328 174.700 -0.357 0.000 1.039 241 T CA 1.052 62.848 62.100 -0.507 0.000 1.142 241 T CB -0.277 68.087 68.868 -0.839 0.000 0.866 241 T HN 0.051 nan 8.240 nan 0.000 0.444 242 L N 0.712 121.568 121.223 -0.612 0.000 2.012 242 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 242 L C 1.963 178.733 176.870 -0.166 0.000 1.073 242 L CA 1.842 56.363 54.840 -0.532 0.000 0.748 242 L CB -0.982 40.576 42.059 -0.835 0.000 0.891 242 L HN 0.102 nan 8.230 nan 0.000 0.431 243 F N -0.909 118.868 119.950 -0.289 0.000 2.069 243 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 243 F C 2.573 178.229 175.800 -0.240 0.000 1.113 243 F CA 1.475 59.234 58.000 -0.401 0.000 1.214 243 F CB -1.751 36.786 39.000 -0.773 0.000 0.978 243 F HN 0.194 nan 8.300 nan 0.000 0.474 244 Y N 1.308 121.687 120.300 0.132 0.000 2.097 244 Y HA -0.214 4.336 4.550 -0.000 0.000 0.282 244 Y C 2.331 178.302 175.900 0.117 0.000 1.152 244 Y CA 1.997 60.239 58.100 0.237 0.000 1.136 244 Y CB -0.356 38.216 38.460 0.187 0.000 0.975 244 Y HN 0.006 nan 8.280 nan 0.000 0.498 245 E N -1.295 118.938 120.200 0.055 0.000 2.285 245 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 245 E C 1.879 178.506 176.600 0.046 0.000 0.997 245 E CA 0.672 57.065 56.400 -0.012 0.000 0.845 245 E CB -0.569 29.127 29.700 -0.007 0.000 0.782 245 E HN 0.559 nan 8.360 nan 0.000 0.491 246 Y N 1.162 121.396 120.300 -0.110 0.000 2.220 246 Y HA -0.009 4.541 4.550 -0.000 0.000 0.291 246 Y C 1.039 177.052 175.900 0.189 0.000 1.129 246 Y CA 0.374 58.445 58.100 -0.047 0.000 1.161 246 Y CB -0.165 38.264 38.460 -0.052 0.000 0.997 246 Y HN -0.028 nan 8.280 nan 0.000 0.522 247 M N 1.920 121.535 119.600 0.025 0.000 2.246 247 M HA 0.142 4.622 4.480 -0.000 0.000 0.350 247 M C -0.189 176.039 176.300 -0.120 0.000 1.406 247 M CA 0.191 55.388 55.300 -0.172 0.000 1.089 247 M CB -0.087 32.218 32.600 -0.493 0.000 1.782 247 M HN 0.291 nan 8.290 nan 0.000 0.457 248 T N 1.199 115.731 114.554 -0.036 0.000 2.823 248 T HA 0.419 4.769 4.350 -0.000 0.000 0.279 248 T C -0.528 174.189 174.700 0.028 0.000 0.998 248 T CA -1.051 61.031 62.100 -0.031 0.000 0.994 248 T CB 1.044 69.846 68.868 -0.110 0.000 0.960 248 T HN 0.611 nan 8.240 nan 0.000 0.448 249 D N 2.070 122.521 120.400 0.085 0.000 2.365 249 D HA 0.152 4.792 4.640 -0.000 0.000 0.237 249 D C 0.424 176.742 176.300 0.030 0.000 1.190 249 D CA -0.269 53.806 54.000 0.125 0.000 0.867 249 D CB 0.770 41.640 40.800 0.116 0.000 1.050 249 D HN 0.678 nan 8.370 nan 0.000 0.491 250 E N 2.994 123.186 120.200 -0.015 0.000 2.558 250 E HA 0.084 4.434 4.350 -0.000 0.000 0.205 250 E C 1.308 177.826 176.600 -0.136 0.000 1.006 250 E CA -0.193 56.177 56.400 -0.049 0.000 0.961 250 E CB 0.603 30.279 29.700 -0.041 0.000 1.044 250 E HN 0.419 nan 8.360 nan 0.000 0.465 251 R N -0.125 120.214 120.500 -0.269 0.000 2.170 251 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 251 R C 0.965 176.824 176.300 -0.735 0.000 1.145 251 R CA 1.309 57.052 56.100 -0.595 0.000 0.984 251 R CB -0.092 29.638 30.300 -0.950 0.000 0.869 251 R HN 0.125 nan 8.270 nan 0.000 0.455 252 F N 0.196 120.072 119.950 -0.123 0.000 2.661 252 F HA 0.217 4.744 4.527 -0.000 0.000 0.306 252 F C 0.495 176.254 175.800 -0.070 0.000 1.094 252 F CA -0.431 57.488 58.000 -0.134 0.000 1.254 252 F CB 0.438 39.325 39.000 -0.188 0.000 1.040 252 F HN -0.332 nan 8.300 nan 0.000 0.562 253 K N 1.102 121.527 120.400 0.040 0.000 2.126 253 K HA 0.389 4.709 4.320 -0.000 0.000 0.257 253 K C 0.560 177.163 176.600 0.006 0.000 1.007 253 K CA -0.064 56.238 56.287 0.025 0.000 0.928 253 K CB 1.361 33.861 32.500 0.001 0.000 1.013 253 K HN 0.142 nan 8.250 nan 0.000 0.473 263 Y N 1.734 122.013 120.300 -0.034 0.000 2.319 263 Y HA 0.496 5.046 4.550 -0.000 0.000 0.328 263 Y C 1.443 177.393 175.900 0.083 0.000 1.133 263 Y CA -0.391 57.705 58.100 -0.006 0.000 1.265 263 Y CB 0.871 39.215 38.460 -0.194 0.000 1.218 263 Y HN 0.534 nan 8.280 nan 0.000 0.508 264 I N 0.040 120.819 120.570 0.349 0.000 3.058 264 I HA 0.075 4.245 4.170 -0.000 0.000 0.299 264 I C 0.746 176.934 176.117 0.118 0.000 1.238 264 I CA 0.339 61.759 61.300 0.201 0.000 1.423 264 I CB 0.352 38.446 38.000 0.157 0.000 1.330 264 I HN 0.751 nan 8.210 nan 0.000 0.589 265 K N 4.258 124.660 120.400 0.004 0.000 2.380 265 K HA 0.224 4.544 4.320 -0.000 0.000 0.198 265 K C 0.391 176.700 176.600 -0.484 0.000 1.070 265 K CA 0.297 56.455 56.287 -0.214 0.000 1.040 265 K CB -0.165 32.189 32.500 -0.243 0.000 0.903 265 K HN 0.835 nan 8.250 nan 0.000 0.549 266 H N -0.985 118.124 119.070 0.066 0.000 2.679 266 H HA 0.532 5.088 4.556 -0.000 0.000 0.360 266 H C -1.746 173.624 175.328 0.070 0.000 1.105 266 H CA -1.288 54.799 56.048 0.065 0.000 1.196 266 H CB 1.876 31.680 29.762 0.071 0.000 1.636 266 H HN 0.115 nan 8.280 nan 0.000 0.531 267 L N 2.222 123.559 121.223 0.191 0.000 2.372 267 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 267 L C -0.077 176.877 176.870 0.139 0.000 0.989 267 L CA -0.242 54.689 54.840 0.152 0.000 0.841 267 L CB 1.350 43.500 42.059 0.152 0.000 1.225 267 L HN 0.766 nan 8.230 nan 0.000 0.414 268 G N 4.238 113.129 108.800 0.151 0.000 2.343 268 G HA2 0.597 4.557 3.960 -0.000 0.000 0.319 268 G HA3 0.597 4.557 3.960 -0.000 0.000 0.319 268 G C -1.441 173.524 174.900 0.107 0.000 1.126 268 G CA -0.420 44.753 45.100 0.123 0.000 0.889 268 G HN 0.429 nan 8.290 nan 0.000 0.457 269 V N 2.631 122.533 119.914 -0.019 0.000 2.487 269 V HA 0.358 4.477 4.120 -0.000 0.000 0.298 269 V C -1.171 174.913 176.094 -0.016 0.000 1.028 269 V CA -0.773 61.590 62.300 0.106 0.000 0.860 269 V CB 1.361 33.310 31.823 0.210 0.000 0.991 269 V HN 0.671 nan 8.190 nan 0.000 0.427 270 Y N 4.797 125.185 120.300 0.147 0.000 2.335 270 Y HA 0.533 5.083 4.550 -0.000 0.000 0.339 270 Y C 0.597 176.550 175.900 0.088 0.000 0.987 270 Y CA -0.055 58.117 58.100 0.121 0.000 1.140 270 Y CB 1.816 40.340 38.460 0.108 0.000 1.173 270 Y HN 0.615 nan 8.280 nan 0.000 0.486 271 I N 1.223 121.835 120.570 0.071 0.000 3.878 271 I HA 0.253 4.423 4.170 -0.000 0.000 0.273 271 I C -0.475 175.599 176.117 -0.072 0.000 1.165 271 I CA 0.335 61.553 61.300 -0.136 0.000 1.360 271 I CB 0.662 38.221 38.000 -0.735 0.000 1.539 271 I HN 0.709 nan 8.210 nan 0.000 0.447 272 N N 2.184 120.872 118.700 -0.020 0.000 4.236 272 N HA -0.159 4.581 4.740 -0.000 0.000 0.315 272 N C -1.083 174.477 175.510 0.084 0.000 2.222 272 N CA 0.551 53.624 53.050 0.038 0.000 2.756 272 N CB -0.374 38.140 38.487 0.044 0.000 0.351 272 N HN 0.445 nan 8.380 nan 0.000 0.544 273 N N 0.160 118.902 118.700 0.071 0.000 2.725 273 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 273 N C 1.226 176.784 175.510 0.079 0.000 1.103 273 N CA 1.336 54.418 53.050 0.054 0.000 0.707 273 N CB -1.439 37.065 38.487 0.029 0.000 1.043 273 N HN 0.768 nan 8.380 nan 0.000 0.553 274 A N -0.349 122.502 122.820 0.052 0.000 2.038 274 A HA -0.282 4.038 4.320 -0.000 0.000 0.224 274 A C 2.149 179.725 177.584 -0.014 0.000 1.190 274 A CA 3.104 55.140 52.037 -0.002 0.000 0.668 274 A CB -1.093 17.873 19.000 -0.056 0.000 0.820 274 A HN 0.719 nan 8.150 nan 0.000 0.474 275 D N -2.420 117.961 120.400 -0.032 0.000 2.234 275 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 275 D C 1.876 178.114 176.300 -0.103 0.000 0.962 275 D CA 1.541 55.507 54.000 -0.057 0.000 0.855 275 D CB -0.991 39.784 40.800 -0.041 0.000 0.951 275 D HN 0.440 nan 8.370 nan 0.000 0.500 276 T N -1.011 113.438 114.554 -0.174 0.000 3.007 276 T HA -0.001 4.349 4.350 -0.000 0.000 0.270 276 T C 1.026 175.441 174.700 -0.475 0.000 1.107 276 T CA 0.864 62.760 62.100 -0.340 0.000 1.118 276 T CB -0.297 68.300 68.868 -0.451 0.000 0.889 276 T HN 0.673 nan 8.240 nan 0.000 0.506 277 Y N 0.398 120.529 120.300 -0.282 0.000 2.481 277 Y HA 0.269 4.819 4.550 -0.000 0.000 0.258 277 Y C 2.438 178.218 175.900 -0.199 0.000 1.103 277 Y CA 0.224 58.076 58.100 -0.413 0.000 1.287 277 Y CB -0.285 37.574 38.460 -1.002 0.000 1.108 277 Y HN 0.071 nan 8.280 nan 0.000 0.529 278 K N 1.049 121.440 120.400 -0.014 0.000 2.113 278 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 278 K C 1.755 178.386 176.600 0.050 0.000 1.047 278 K CA 1.962 58.258 56.287 0.016 0.000 0.928 278 K CB -1.524 30.961 32.500 -0.026 0.000 0.716 278 K HN 0.537 nan 8.250 nan 0.000 0.446 279 E N 1.282 121.496 120.200 0.024 0.000 2.482 279 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 279 E C 1.766 178.394 176.600 0.048 0.000 1.047 279 E CA 0.748 57.161 56.400 0.022 0.000 0.869 279 E CB -0.239 29.454 29.700 -0.010 0.000 0.836 279 E HN 0.709 nan 8.360 nan 0.000 0.520 280 E N -0.126 120.147 120.200 0.121 0.000 2.435 280 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 280 E C 2.125 178.797 176.600 0.121 0.000 1.029 280 E CA 0.586 57.074 56.400 0.147 0.000 0.865 280 E CB 0.332 30.239 29.700 0.345 0.000 0.833 280 E HN 0.454 nan 8.360 nan 0.000 0.510 281 V N 1.628 121.635 119.914 0.155 0.000 2.323 281 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 281 V C 2.165 178.334 176.094 0.124 0.000 1.041 281 V CA 1.538 63.921 62.300 0.138 0.000 1.025 281 V CB -0.201 31.711 31.823 0.148 0.000 0.656 281 V HN 0.120 nan 8.190 nan 0.000 0.451 282 E N 0.024 120.279 120.200 0.091 0.000 2.152 282 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 282 E C 2.134 178.779 176.600 0.075 0.000 0.983 282 E CA 0.894 57.349 56.400 0.092 0.000 0.818 282 E CB -0.247 29.491 29.700 0.064 0.000 0.758 282 E HN 0.538 nan 8.360 nan 0.000 0.467 283 K N 0.679 121.074 120.400 -0.009 0.000 2.057 283 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 283 K C 2.044 178.554 176.600 -0.149 0.000 1.049 283 K CA 1.162 57.356 56.287 -0.155 0.000 0.931 283 K CB -0.038 32.300 32.500 -0.271 0.000 0.714 283 K HN 0.056 nan 8.250 nan 0.000 0.440 284 A N 1.368 124.166 122.820 -0.038 0.000 1.908 284 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 284 A C 2.097 179.885 177.584 0.339 0.000 1.181 284 A CA 1.814 53.890 52.037 0.065 0.000 0.627 284 A CB -0.546 18.419 19.000 -0.058 0.000 0.818 284 A HN 0.363 nan 8.150 nan 0.000 0.445 285 R N -0.437 120.296 120.500 0.389 0.000 2.073 285 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 285 R C 1.886 178.507 176.300 0.535 0.000 1.134 285 R CA 1.906 58.292 56.100 0.477 0.000 0.952 285 R CB -0.746 29.719 30.300 0.275 0.000 0.850 285 R HN 0.246 nan 8.270 nan 0.000 0.433 286 V N -0.042 120.128 119.914 0.427 0.000 2.287 286 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 286 V C 1.976 178.470 176.094 0.667 0.000 1.053 286 V CA 1.802 64.425 62.300 0.538 0.000 1.027 286 V CB -0.673 31.351 31.823 0.335 0.000 0.646 286 V HN 0.337 nan 8.190 nan 0.000 0.447 287 Y N -0.565 119.913 120.300 0.296 0.000 2.293 287 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 287 Y C 2.422 178.446 175.900 0.208 0.000 1.137 287 Y CA 0.956 59.184 58.100 0.213 0.000 1.202 287 Y CB -1.137 37.411 38.460 0.147 0.000 0.990 287 Y HN 0.498 nan 8.280 nan 0.000 0.537 288 Y N -0.666 119.869 120.300 0.392 0.000 2.165 288 Y HA -0.293 4.257 4.550 -0.000 0.000 0.286 288 Y C 2.195 178.303 175.900 0.346 0.000 1.155 288 Y CA 1.480 59.784 58.100 0.340 0.000 1.164 288 Y CB -1.123 37.599 38.460 0.436 0.000 0.978 288 Y HN 0.047 nan 8.280 nan 0.000 0.513 289 F N 0.950 120.718 119.950 -0.302 0.000 2.234 289 F HA 0.122 4.649 4.527 -0.000 0.000 0.296 289 F C 2.438 178.052 175.800 -0.310 0.000 1.089 289 F CA 1.379 59.046 58.000 -0.555 0.000 1.343 289 F CB -0.854 37.958 39.000 -0.313 0.000 1.040 289 F HN 0.116 nan 8.300 nan 0.000 0.498 290 G N -0.239 108.520 108.800 -0.068 0.000 2.553 290 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 290 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 290 G C 1.652 176.459 174.900 -0.155 0.000 1.195 290 G CA 1.777 46.858 45.100 -0.032 0.000 0.779 290 G HN 0.380 nan 8.290 nan 0.000 0.577 291 T N -0.330 114.145 114.554 -0.131 0.000 2.708 291 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 291 T C 2.046 176.707 174.700 -0.065 0.000 1.037 291 T CA 1.447 63.460 62.100 -0.146 0.000 1.146 291 T CB -0.367 68.373 68.868 -0.213 0.000 0.865 291 T HN 0.341 nan 8.240 nan 0.000 0.435 292 Y N 0.604 120.800 120.300 -0.174 0.000 2.293 292 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 292 Y C 2.175 177.875 175.900 -0.334 0.000 1.137 292 Y CA 0.463 58.516 58.100 -0.079 0.000 1.202 292 Y CB -0.501 37.805 38.460 -0.258 0.000 0.990 292 Y HN 0.315 nan 8.280 nan 0.000 0.537 293 Y N 0.113 119.901 120.300 -0.852 0.000 2.200 293 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 293 Y C 2.412 178.025 175.900 -0.478 0.000 1.137 293 Y CA 1.709 59.291 58.100 -0.864 0.000 1.163 293 Y CB -0.756 37.068 38.460 -1.061 0.000 0.988 293 Y HN 0.103 nan 8.280 nan 0.000 0.518 294 A N -0.738 121.904 122.820 -0.296 0.000 1.873 294 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 294 A C 2.484 179.917 177.584 -0.253 0.000 1.186 294 A CA 1.861 53.762 52.037 -0.227 0.000 0.616 294 A CB -1.507 17.447 19.000 -0.077 0.000 0.823 294 A HN 0.534 nan 8.150 nan 0.000 0.442 295 S N -0.457 115.119 115.700 -0.206 0.000 2.359 295 S HA -0.318 4.152 4.470 -0.000 0.000 0.223 295 S C 2.144 176.575 174.600 -0.281 0.000 1.039 295 S CA 2.042 60.156 58.200 -0.144 0.000 1.042 295 S CB -0.521 62.693 63.200 0.023 0.000 0.915 295 S HN 0.665 nan 8.310 nan 0.000 0.439 296 Q N 0.125 119.600 119.800 -0.541 0.000 2.152 296 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 296 Q C 2.316 178.117 176.000 -0.333 0.000 0.985 296 Q CA 1.767 57.269 55.803 -0.502 0.000 0.863 296 Q CB -0.356 27.977 28.738 -0.675 0.000 0.904 296 Q HN 0.587 nan 8.270 nan 0.000 0.422 297 L N -0.225 120.762 121.223 -0.393 0.000 2.072 297 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 297 L C 2.246 179.055 176.870 -0.102 0.000 1.079 297 L CA 0.764 55.447 54.840 -0.261 0.000 0.752 297 L CB -0.315 41.560 42.059 -0.307 0.000 0.906 297 L HN 0.217 nan 8.230 nan 0.000 0.436 298 I N 0.173 120.705 120.570 -0.062 0.000 2.202 298 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 298 I C 2.744 178.946 176.117 0.142 0.000 1.091 298 I CA 1.202 62.545 61.300 0.072 0.000 1.368 298 I CB -0.405 37.680 38.000 0.141 0.000 1.058 298 I HN 0.171 nan 8.210 nan 0.000 0.410 299 A N 0.870 123.757 122.820 0.112 0.000 2.067 299 A HA 0.174 4.494 4.320 -0.000 0.000 0.219 299 A C 1.556 179.149 177.584 0.015 0.000 1.158 299 A CA 0.721 52.843 52.037 0.142 0.000 0.661 299 A CB -0.652 18.402 19.000 0.091 0.000 0.801 299 A HN 0.339 nan 8.150 nan 0.000 0.452 300 A N 1.472 124.296 122.820 0.006 0.000 2.522 300 A HA 0.479 4.799 4.320 -0.000 0.000 0.256 300 A C -2.143 175.377 177.584 -0.106 0.000 1.086 300 A CA -1.020 50.993 52.037 -0.040 0.000 0.763 300 A CB -0.273 18.770 19.000 0.072 0.000 1.024 300 A HN 0.313 nan 8.150 nan 0.000 0.502 301 P HA 0.185 nan 4.420 nan 0.000 0.275 301 P C 0.665 177.958 177.300 -0.011 0.000 1.266 301 P CA -0.306 62.718 63.100 -0.127 0.000 0.793 301 P CB 0.600 32.181 31.700 -0.198 0.000 1.074 302 S N -0.105 115.579 115.700 -0.027 0.000 2.489 302 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 302 S C 1.482 176.043 174.600 -0.065 0.000 0.995 302 S CA 0.601 58.785 58.200 -0.027 0.000 0.934 302 S CB -0.880 62.301 63.200 -0.032 0.000 0.771 302 S HN 0.618 nan 8.310 nan 0.000 0.522 303 N N 1.054 119.725 118.700 -0.048 0.000 2.270 303 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 303 N C 1.229 176.663 175.510 -0.127 0.000 1.016 303 N CA 1.224 54.233 53.050 -0.070 0.000 0.870 303 N CB -0.669 37.766 38.487 -0.087 0.000 0.979 303 N HN 0.478 nan 8.380 nan 0.000 0.431 304 Y N 0.521 120.781 120.300 -0.067 0.000 2.201 304 Y HA 0.129 4.679 4.550 -0.000 0.000 0.292 304 Y C 1.284 177.147 175.900 -0.062 0.000 1.119 304 Y CA 0.507 58.597 58.100 -0.016 0.000 1.127 304 Y CB -0.222 38.287 38.460 0.082 0.000 1.019 304 Y HN 0.108 nan 8.280 nan 0.000 0.514 305 C N 3.209 122.558 119.300 0.082 0.000 2.135 305 C HA 0.393 4.853 4.460 -0.000 0.000 0.345 305 C C -0.186 174.733 174.990 -0.119 0.000 1.067 305 C CA -1.047 57.962 59.018 -0.015 0.000 1.517 305 C CB -2.756 24.988 27.740 0.007 0.000 1.923 305 C HN 0.507 nan 8.230 nan 0.000 0.466 306 N N 4.130 122.673 118.700 -0.261 0.000 2.531 306 N HA 0.635 5.375 4.740 -0.000 0.000 0.290 306 N C -2.399 172.943 175.510 -0.280 0.000 1.257 306 N CA -1.847 50.919 53.050 -0.473 0.000 0.863 306 N CB 0.487 38.205 38.487 -1.282 0.000 1.320 306 N HN 0.041 nan 8.380 nan 0.000 0.538 307 P HA -0.127 nan 4.420 nan 0.000 0.219 307 P C 0.913 178.205 177.300 -0.013 0.000 1.146 307 P CA 0.774 63.855 63.100 -0.032 0.000 0.808 307 P CB 0.207 31.946 31.700 0.065 0.000 0.779 308 V N -0.018 119.867 119.914 -0.047 0.000 2.379 308 V HA -0.164 3.956 4.120 -0.000 0.000 0.243 308 V C 2.533 178.625 176.094 -0.002 0.000 1.035 308 V CA 2.302 64.612 62.300 0.016 0.000 1.035 308 V CB -1.577 30.284 31.823 0.063 0.000 0.673 308 V HN 0.249 nan 8.190 nan 0.000 0.457 309 S N -0.206 115.464 115.700 -0.050 0.000 2.428 309 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 309 S C 2.026 176.621 174.600 -0.008 0.000 1.014 309 S CA 1.171 59.356 58.200 -0.025 0.000 0.957 309 S CB -0.439 62.734 63.200 -0.046 0.000 0.784 309 S HN 0.469 nan 8.310 nan 0.000 0.499 310 L N 1.945 123.153 121.223 -0.025 0.000 2.044 310 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 310 L C 2.908 179.790 176.870 0.019 0.000 1.075 310 L CA 1.731 56.565 54.840 -0.010 0.000 0.747 310 L CB -0.636 41.409 42.059 -0.023 0.000 0.903 310 L HN 0.625 nan 8.230 nan 0.000 0.435 311 S N -0.781 114.936 115.700 0.028 0.000 2.402 311 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 311 S C 1.645 176.276 174.600 0.051 0.000 1.021 311 S CA 0.989 59.221 58.200 0.052 0.000 0.974 311 S CB -0.550 62.696 63.200 0.076 0.000 0.800 311 S HN 0.441 nan 8.310 nan 0.000 0.484 312 N N 2.869 121.594 118.700 0.042 0.000 2.104 312 N HA 0.028 4.768 4.740 -0.000 0.000 0.190 312 N C 1.928 177.458 175.510 0.034 0.000 1.024 312 N CA 1.589 54.659 53.050 0.034 0.000 0.853 312 N CB -0.945 37.563 38.487 0.035 0.000 1.008 312 N HN 0.635 nan 8.380 nan 0.000 0.424 313 A N 0.695 123.547 122.820 0.053 0.000 1.930 313 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 313 A C 2.340 179.996 177.584 0.120 0.000 1.175 313 A CA 1.728 53.824 52.037 0.098 0.000 0.627 313 A CB -0.696 18.357 19.000 0.088 0.000 0.815 313 A HN 0.313 nan 8.150 nan 0.000 0.443 314 A N -0.423 122.447 122.820 0.083 0.000 1.855 314 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 314 A C 2.222 179.796 177.584 -0.017 0.000 1.191 314 A CA 1.724 53.802 52.037 0.068 0.000 0.613 314 A CB -1.070 17.973 19.000 0.072 0.000 0.829 314 A HN 0.366 nan 8.150 nan 0.000 0.442 315 V N 0.244 120.114 119.914 -0.073 0.000 2.252 315 V HA -0.352 3.767 4.120 -0.000 0.000 0.249 315 V C 2.596 178.488 176.094 -0.338 0.000 1.056 315 V CA 2.614 64.722 62.300 -0.320 0.000 1.022 315 V CB -0.837 30.849 31.823 -0.228 0.000 0.641 315 V HN 0.815 nan 8.190 nan 0.000 0.445 316 E N -0.328 119.785 120.200 -0.145 0.000 2.070 316 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 316 E C 2.167 178.716 176.600 -0.086 0.000 1.004 316 E CA 1.869 58.214 56.400 -0.092 0.000 0.805 316 E CB -0.225 29.492 29.700 0.028 0.000 0.744 316 E HN 0.422 nan 8.360 nan 0.000 0.451 317 L N 0.750 121.965 121.223 -0.015 0.000 2.042 317 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 317 L C 2.269 179.090 176.870 -0.080 0.000 1.076 317 L CA 2.224 57.051 54.840 -0.022 0.000 0.749 317 L CB -0.779 41.290 42.059 0.017 0.000 0.893 317 L HN 0.230 nan 8.230 nan 0.000 0.432 318 A N -1.223 121.537 122.820 -0.100 0.000 1.902 318 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 318 A C 2.196 179.748 177.584 -0.053 0.000 1.181 318 A CA 1.855 53.859 52.037 -0.056 0.000 0.623 318 A CB -0.585 18.400 19.000 -0.026 0.000 0.818 318 A HN 0.639 nan 8.150 nan 0.000 0.443 319 Q N -0.437 119.268 119.800 -0.158 0.000 2.167 319 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 319 Q C 1.861 177.821 176.000 -0.067 0.000 0.970 319 Q CA 1.516 57.263 55.803 -0.092 0.000 0.855 319 Q CB -0.131 28.518 28.738 -0.148 0.000 0.911 319 Q HN 0.621 nan 8.270 nan 0.000 0.438 320 K N 0.025 120.360 120.400 -0.109 0.000 2.366 320 K HA -0.006 4.314 4.320 -0.000 0.000 0.198 320 K C 1.266 177.810 176.600 -0.093 0.000 1.044 320 K CA 0.637 56.844 56.287 -0.132 0.000 0.973 320 K CB 0.330 32.687 32.500 -0.237 0.000 0.767 320 K HN 0.188 nan 8.250 nan 0.000 0.475 321 L N 0.039 121.225 121.223 -0.061 0.000 2.766 321 L HA 0.147 4.487 4.340 -0.000 0.000 0.242 321 L C -0.616 176.255 176.870 0.003 0.000 1.136 321 L CA -0.174 54.640 54.840 -0.043 0.000 0.933 321 L CB -0.190 41.835 42.059 -0.056 0.000 1.241 321 L HN 0.175 nan 8.230 nan 0.000 0.522 322 N N 0.479 119.189 118.700 0.018 0.000 2.721 322 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 322 N C -0.491 175.074 175.510 0.092 0.000 1.072 322 N CA 0.298 53.382 53.050 0.056 0.000 0.710 322 N CB -1.421 37.088 38.487 0.037 0.000 0.993 322 N HN 0.264 nan 8.380 nan 0.000 0.547 323 L N 0.171 121.463 121.223 0.116 0.000 2.399 323 L HA 0.249 4.589 4.340 -0.000 0.000 0.266 323 L C 1.184 178.176 176.870 0.204 0.000 1.114 323 L CA -0.434 54.500 54.840 0.157 0.000 0.804 323 L CB 0.708 42.852 42.059 0.141 0.000 1.146 323 L HN 0.239 nan 8.230 nan 0.000 0.451 324 E N 1.371 121.665 120.200 0.156 0.000 2.398 324 E HA 0.151 4.501 4.350 -0.000 0.000 0.263 324 E C -1.632 175.089 176.600 0.202 0.000 1.046 324 E CA -0.154 56.308 56.400 0.104 0.000 0.908 324 E CB 0.683 30.399 29.700 0.027 0.000 0.963 324 E HN 0.429 nan 8.360 nan 0.000 0.431 325 Y N 0.526 120.860 120.300 0.057 0.000 2.519 325 Y HA 0.558 5.108 4.550 -0.000 0.000 0.336 325 Y C -1.468 174.478 175.900 0.077 0.000 1.089 325 Y CA -1.242 56.910 58.100 0.087 0.000 1.025 325 Y CB 1.213 39.725 38.460 0.087 0.000 1.318 325 Y HN 0.383 nan 8.280 nan 0.000 0.452 326 K N 4.293 124.820 120.400 0.213 0.000 2.550 326 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 326 K C -2.162 174.616 176.600 0.296 0.000 0.943 326 K CA -0.664 55.720 56.287 0.163 0.000 0.806 326 K CB 1.604 34.155 32.500 0.085 0.000 1.289 326 K HN 0.799 nan 8.250 nan 0.000 0.435 327 I N 5.666 126.394 120.570 0.263 0.000 2.355 327 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 327 I C -0.598 175.656 176.117 0.229 0.000 0.999 327 I CA -0.858 60.597 61.300 0.259 0.000 1.163 327 I CB 1.113 39.245 38.000 0.220 0.000 1.316 327 I HN 0.541 nan 8.210 nan 0.000 0.454 328 L N 6.075 127.460 121.223 0.270 0.000 2.290 328 L HA 0.589 4.929 4.340 -0.000 0.000 0.284 328 L C 0.938 177.918 176.870 0.183 0.000 1.078 328 L CA 0.219 55.175 54.840 0.194 0.000 0.815 328 L CB 1.159 43.288 42.059 0.116 0.000 1.162 328 L HN 0.680 nan 8.230 nan 0.000 0.435 329 G N 1.736 110.609 108.800 0.121 0.000 2.705 329 G HA2 0.466 4.426 3.960 -0.000 0.000 0.299 329 G HA3 0.466 4.426 3.960 -0.000 0.000 0.299 329 G C 0.836 175.765 174.900 0.047 0.000 1.315 329 G CA -0.612 44.542 45.100 0.090 0.000 1.045 329 G HN 0.331 nan 8.290 nan 0.000 0.517 330 V N 0.876 120.800 119.914 0.016 0.000 2.332 330 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 330 V C 3.465 179.554 176.094 -0.008 0.000 1.055 330 V CA 3.146 65.433 62.300 -0.020 0.000 1.038 330 V CB -1.208 30.596 31.823 -0.032 0.000 0.651 330 V HN 0.917 nan 8.190 nan 0.000 0.450 331 K N 0.007 120.412 120.400 0.009 0.000 2.032 331 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 331 K C 1.957 178.566 176.600 0.014 0.000 1.048 331 K CA 2.080 58.374 56.287 0.011 0.000 0.927 331 K CB -0.778 31.733 32.500 0.018 0.000 0.712 331 K HN 0.702 nan 8.250 nan 0.000 0.441 332 E N 0.046 120.260 120.200 0.024 0.000 2.072 332 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 332 E C 2.263 178.873 176.600 0.018 0.000 0.982 332 E CA 1.034 57.452 56.400 0.029 0.000 0.803 332 E CB -0.199 29.530 29.700 0.048 0.000 0.755 332 E HN 0.501 nan 8.360 nan 0.000 0.453 333 L N 1.059 122.288 121.223 0.010 0.000 2.046 333 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 333 L C 2.343 179.209 176.870 -0.007 0.000 1.077 333 L CA 1.265 56.104 54.840 -0.002 0.000 0.747 333 L CB -0.437 41.604 42.059 -0.030 0.000 0.896 333 L HN 0.081 nan 8.230 nan 0.000 0.432 334 E N 0.296 120.487 120.200 -0.015 0.000 2.049 334 E HA -0.284 4.066 4.350 -0.000 0.000 0.198 334 E C 2.106 178.709 176.600 0.004 0.000 1.007 334 E CA 1.740 58.135 56.400 -0.008 0.000 0.809 334 E CB -0.110 29.585 29.700 -0.009 0.000 0.749 334 E HN 0.500 nan 8.360 nan 0.000 0.450 335 E N 0.135 120.340 120.200 0.008 0.000 2.268 335 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 335 E C 1.643 178.253 176.600 0.015 0.000 0.995 335 E CA 0.386 56.793 56.400 0.012 0.000 0.836 335 E CB 0.124 29.833 29.700 0.014 0.000 0.763 335 E HN 0.230 nan 8.360 nan 0.000 0.491 336 L N 0.364 121.598 121.223 0.018 0.000 2.591 336 L HA 0.067 4.407 4.340 -0.000 0.000 0.228 336 L C 0.151 177.038 176.870 0.029 0.000 1.133 336 L CA 0.146 55.001 54.840 0.025 0.000 0.880 336 L CB -0.026 42.051 42.059 0.030 0.000 1.033 336 L HN 0.032 nan 8.230 nan 0.000 0.450 337 K N 0.339 120.754 120.400 0.024 0.000 3.077 337 K HA -0.204 4.116 4.320 -0.000 0.000 0.264 337 K C 0.128 176.753 176.600 0.043 0.000 1.008 337 K CA 0.548 56.852 56.287 0.029 0.000 0.740 337 K CB -1.242 31.275 32.500 0.029 0.000 1.273 337 K HN 0.358 nan 8.250 nan 0.000 0.477 338 M N 0.334 119.962 119.600 0.047 0.000 3.690 338 M HA 0.033 4.513 4.480 -0.000 0.000 0.209 338 M C 1.761 178.101 176.300 0.066 0.000 1.403 338 M CA 0.334 55.683 55.300 0.081 0.000 1.621 338 M CB 0.223 32.910 32.600 0.144 0.000 1.056 338 M HN 0.407 nan 8.290 nan 0.000 0.593 339 G N 0.728 109.559 108.800 0.051 0.000 2.442 339 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 339 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 339 G C 1.543 176.464 174.900 0.036 0.000 1.141 339 G CA 1.138 46.259 45.100 0.035 0.000 0.763 339 G HN 0.648 nan 8.290 nan 0.000 0.554 340 A N 0.330 123.186 122.820 0.061 0.000 1.851 340 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 340 A C 2.258 179.872 177.584 0.050 0.000 1.195 340 A CA 1.905 53.972 52.037 0.051 0.000 0.622 340 A CB -0.940 18.078 19.000 0.031 0.000 0.831 340 A HN 0.445 nan 8.150 nan 0.000 0.444 341 Y N 0.672 120.937 120.300 -0.059 0.000 2.128 341 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 341 Y C 1.978 177.836 175.900 -0.071 0.000 1.154 341 Y CA 1.710 59.779 58.100 -0.052 0.000 1.149 341 Y CB -0.733 37.728 38.460 0.003 0.000 0.976 341 Y HN 0.215 nan 8.280 nan 0.000 0.505 342 L N -0.955 120.152 121.223 -0.194 0.000 2.201 342 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 342 L C 2.518 179.261 176.870 -0.213 0.000 1.105 342 L CA 1.271 55.934 54.840 -0.295 0.000 0.775 342 L CB -0.632 41.313 42.059 -0.191 0.000 0.913 342 L HN 0.108 nan 8.230 nan 0.000 0.440 343 S N -0.470 115.118 115.700 -0.186 0.000 2.368 343 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 343 S C 2.033 176.299 174.600 -0.556 0.000 1.030 343 S CA 1.185 59.231 58.200 -0.257 0.000 0.999 343 S CB -0.126 62.961 63.200 -0.189 0.000 0.844 343 S HN 0.178 nan 8.310 nan 0.000 0.459 344 V N 1.294 120.861 119.914 -0.578 0.000 2.407 344 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 344 V C 2.479 178.425 176.094 -0.247 0.000 1.055 344 V CA 1.935 63.882 62.300 -0.589 0.000 1.049 344 V CB -1.238 30.439 31.823 -0.243 0.000 0.662 344 V HN 0.591 nan 8.190 nan 0.000 0.455 345 G N -1.193 107.505 108.800 -0.169 0.000 2.623 345 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 345 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 345 G C 1.510 176.376 174.900 -0.055 0.000 1.138 345 G CA 0.316 45.369 45.100 -0.079 0.000 0.794 345 G HN 0.421 nan 8.290 nan 0.000 0.535 346 K N 0.061 120.412 120.400 -0.081 0.000 2.117 346 K HA -0.202 4.118 4.320 -0.000 0.000 0.215 346 K C 2.426 179.038 176.600 0.020 0.000 1.053 346 K CA 1.633 57.906 56.287 -0.024 0.000 0.935 346 K CB -0.381 32.123 32.500 0.006 0.000 0.719 346 K HN 0.294 nan 8.250 nan 0.000 0.460 347 G N -0.176 108.658 108.800 0.057 0.000 2.848 347 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.208 347 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.208 347 G C 0.318 175.241 174.900 0.040 0.000 1.152 347 G CA -0.004 45.139 45.100 0.072 0.000 0.789 347 G HN 0.226 nan 8.290 nan 0.000 0.531 348 S N -0.186 115.535 115.700 0.035 0.000 2.616 348 S HA 0.380 4.850 4.470 -0.000 0.000 0.277 348 S C 1.633 176.198 174.600 -0.058 0.000 1.234 348 S CA -0.547 57.673 58.200 0.032 0.000 1.028 348 S CB 0.865 64.139 63.200 0.123 0.000 0.988 348 S HN 0.285 nan 8.310 nan 0.000 0.522 349 M N 2.212 121.685 119.600 -0.212 0.000 2.558 349 M HA 0.254 4.734 4.480 -0.000 0.000 0.255 349 M C -0.939 175.118 176.300 -0.406 0.000 1.113 349 M CA 0.398 55.493 55.300 -0.341 0.000 1.097 349 M CB -0.308 31.997 32.600 -0.491 0.000 1.426 349 M HN 0.496 nan 8.290 nan 0.000 0.488 350 Y N 1.910 122.214 120.300 0.006 0.000 2.326 350 Y HA 0.537 5.087 4.550 -0.000 0.000 0.337 350 Y C -2.323 173.580 175.900 0.005 0.000 1.023 350 Y CA -2.786 55.319 58.100 0.009 0.000 1.143 350 Y CB 0.236 38.708 38.460 0.020 0.000 1.183 350 Y HN -0.022 nan 8.280 nan 0.000 0.485 351 P HA -0.026 nan 4.420 nan 0.000 0.266 351 P C -0.782 176.564 177.300 0.078 0.000 1.195 351 P CA -0.051 63.092 63.100 0.072 0.000 0.768 351 P CB 0.512 32.253 31.700 0.069 0.000 0.838 352 N N 2.984 121.683 118.700 -0.002 0.000 2.458 352 N HA 0.075 4.815 4.740 -0.000 0.000 0.258 352 N C -0.028 175.542 175.510 0.100 0.000 1.219 352 N CA 0.579 53.623 53.050 -0.010 0.000 0.902 352 N CB 0.066 38.332 38.487 -0.368 0.000 1.076 352 N HN 0.192 nan 8.380 nan 0.000 0.455 353 K N 1.706 122.233 120.400 0.212 0.000 2.443 353 K HA 0.338 4.658 4.320 -0.000 0.000 0.252 353 K C -1.218 175.573 176.600 0.319 0.000 0.933 353 K CA -0.567 55.856 56.287 0.227 0.000 0.792 353 K CB 1.673 34.264 32.500 0.151 0.000 1.185 353 K HN 0.442 nan 8.250 nan 0.000 0.425 354 F N 4.093 124.145 119.950 0.169 0.000 2.388 354 F HA 0.464 4.991 4.527 -0.000 0.000 0.358 354 F C -0.256 175.573 175.800 0.048 0.000 1.122 354 F CA -1.020 57.027 58.000 0.079 0.000 1.056 354 F CB 0.542 39.563 39.000 0.037 0.000 1.155 354 F HN 0.410 nan 8.300 nan 0.000 0.461 355 I N 6.275 126.720 120.570 -0.208 0.000 2.416 355 I HA 0.169 4.339 4.170 -0.000 0.000 0.288 355 I C -0.530 175.596 176.117 0.016 0.000 1.051 355 I CA -0.063 61.223 61.300 -0.023 0.000 1.375 355 I CB 0.675 38.652 38.000 -0.037 0.000 1.407 355 I HN 0.628 nan 8.210 nan 0.000 0.516 356 H N 6.719 125.904 119.070 0.192 0.000 3.092 356 H HA 0.478 5.034 4.556 -0.000 0.000 0.308 356 H C -1.599 173.934 175.328 0.342 0.000 1.047 356 H CA -0.908 55.333 56.048 0.321 0.000 1.466 356 H CB 0.934 30.969 29.762 0.455 0.000 1.597 356 H HN 0.372 nan 8.280 nan 0.000 0.512 357 L N 3.837 125.455 121.223 0.659 0.000 2.329 357 L HA 0.403 4.743 4.340 -0.000 0.000 0.279 357 L C 0.095 177.370 176.870 0.674 0.000 1.014 357 L CA -0.351 54.809 54.840 0.534 0.000 0.814 357 L CB 1.929 44.215 42.059 0.378 0.000 1.257 357 L HN 0.675 nan 8.230 nan 0.000 0.424 358 T N 2.091 116.908 114.554 0.438 0.000 2.876 358 T HA 0.554 4.904 4.350 -0.000 0.000 0.289 358 T C -1.269 173.634 174.700 0.339 0.000 1.014 358 T CA -0.425 61.877 62.100 0.337 0.000 0.986 358 T CB 0.806 69.702 68.868 0.047 0.000 1.021 358 T HN 0.362 nan 8.240 nan 0.000 0.458 359 Y N 3.059 123.533 120.300 0.290 0.000 2.420 359 Y HA 0.702 5.252 4.550 -0.000 0.000 0.334 359 Y C -0.501 175.428 175.900 0.049 0.000 1.094 359 Y CA -0.820 57.400 58.100 0.200 0.000 1.126 359 Y CB 1.320 39.983 38.460 0.338 0.000 1.217 359 Y HN 0.631 nan 8.280 nan 0.000 0.462 360 K N 4.480 124.350 120.400 -0.883 0.000 2.601 360 K HA 0.247 4.567 4.320 -0.000 0.000 0.249 360 K C -1.003 175.044 176.600 -0.922 0.000 0.966 360 K CA -0.646 55.271 56.287 -0.617 0.000 0.827 360 K CB 1.671 33.988 32.500 -0.305 0.000 1.178 360 K HN 0.874 nan 8.250 nan 0.000 0.437 361 S N 2.651 117.988 115.700 -0.605 0.000 2.558 361 S HA 0.071 4.540 4.470 -0.000 0.000 0.291 361 S C 0.102 174.598 174.600 -0.174 0.000 1.306 361 S CA -0.224 57.836 58.200 -0.234 0.000 1.056 361 S CB 0.427 63.649 63.200 0.038 0.000 0.836 361 S HN 0.279 nan 8.310 nan 0.000 0.504 362 K N 2.031 122.367 120.400 -0.108 0.000 2.276 362 K HA 0.431 4.751 4.320 -0.000 0.000 0.285 362 K C 1.209 177.779 176.600 -0.049 0.000 1.062 362 K CA 0.357 56.593 56.287 -0.085 0.000 0.918 362 K CB 0.457 32.920 32.500 -0.062 0.000 1.055 362 K HN 1.233 nan 8.250 nan 0.000 0.477 363 G N 2.530 111.301 108.800 -0.048 0.000 2.157 363 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 363 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 363 G C -0.219 174.666 174.900 -0.024 0.000 0.979 363 G CA 0.485 45.566 45.100 -0.031 0.000 0.650 363 G HN 0.681 nan 8.290 nan 0.000 0.529 364 D N -0.581 119.804 120.400 -0.026 0.000 2.553 364 D HA 0.645 5.285 4.640 -0.000 0.000 0.249 364 D C 0.328 176.617 176.300 -0.020 0.000 1.062 364 D CA -0.901 53.089 54.000 -0.018 0.000 1.085 364 D CB 1.024 41.819 40.800 -0.009 0.000 1.350 364 D HN 0.314 nan 8.370 nan 0.000 0.575 365 V N -0.190 119.714 119.914 -0.016 0.000 2.811 365 V HA 0.240 4.360 4.120 -0.000 0.000 0.302 365 V C 0.294 176.377 176.094 -0.019 0.000 1.063 365 V CA -0.013 62.276 62.300 -0.018 0.000 1.088 365 V CB 0.459 32.272 31.823 -0.016 0.000 0.982 365 V HN 0.422 nan 8.190 nan 0.000 0.485 366 K N 2.829 123.215 120.400 -0.023 0.000 2.578 366 K HA 0.509 4.829 4.320 -0.000 0.000 0.250 366 K C -0.301 176.276 176.600 -0.038 0.000 0.955 366 K CA -0.656 55.617 56.287 -0.023 0.000 0.825 366 K CB 1.649 34.137 32.500 -0.021 0.000 1.151 366 K HN 0.673 nan 8.250 nan 0.000 0.432 367 K N 2.964 123.335 120.400 -0.047 0.000 2.416 367 K HA 0.087 4.407 4.320 -0.000 0.000 0.283 367 K C -0.314 176.257 176.600 -0.048 0.000 1.037 367 K CA 0.247 56.481 56.287 -0.088 0.000 0.995 367 K CB -0.100 32.340 32.500 -0.099 0.000 0.938 367 K HN 0.485 nan 8.250 nan 0.000 0.475 368 K N 1.873 122.238 120.400 -0.058 0.000 2.253 368 K HA 0.509 4.828 4.320 -0.000 0.000 0.277 368 K C -0.784 175.849 176.600 0.055 0.000 1.053 368 K CA -0.282 56.021 56.287 0.025 0.000 0.892 368 K CB 0.806 33.334 32.500 0.046 0.000 1.102 368 K HN 0.614 nan 8.250 nan 0.000 0.469 369 I N 2.060 122.703 120.570 0.123 0.000 2.498 369 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 369 I C -0.699 175.524 176.117 0.176 0.000 1.032 369 I CA -0.751 60.658 61.300 0.181 0.000 1.073 369 I CB 2.123 40.248 38.000 0.208 0.000 1.251 369 I HN 0.582 nan 8.210 nan 0.000 0.426 370 A N 7.679 130.609 122.820 0.184 0.000 2.287 370 A HA 0.787 5.107 4.320 -0.000 0.000 0.317 370 A C -0.889 176.760 177.584 0.109 0.000 1.220 370 A CA -0.441 51.682 52.037 0.144 0.000 0.835 370 A CB 0.559 19.642 19.000 0.138 0.000 1.180 370 A HN 0.669 nan 8.150 nan 0.000 0.500 371 L N 3.508 124.748 121.223 0.027 0.000 2.280 371 L HA 0.512 4.852 4.340 -0.000 0.000 0.287 371 L C -0.817 176.095 176.870 0.069 0.000 1.023 371 L CA -0.758 54.107 54.840 0.041 0.000 0.819 371 L CB 1.560 43.622 42.059 0.004 0.000 1.212 371 L HN 0.410 nan 8.230 nan 0.000 0.420 372 V N 2.233 122.195 119.914 0.081 0.000 2.448 372 V HA 0.695 4.815 4.120 -0.000 0.000 0.295 372 V C 0.423 176.542 176.094 0.042 0.000 1.025 372 V CA -0.492 61.841 62.300 0.054 0.000 0.859 372 V CB 1.700 33.577 31.823 0.091 0.000 0.988 372 V HN 0.850 nan 8.190 nan 0.000 0.431 373 G N 2.798 111.592 108.800 -0.010 0.000 2.513 373 G HA2 0.516 4.476 3.960 -0.000 0.000 0.317 373 G HA3 0.516 4.476 3.960 -0.000 0.000 0.317 373 G C -0.800 174.069 174.900 -0.053 0.000 1.277 373 G CA -0.764 44.333 45.100 -0.005 0.000 0.955 373 G HN 0.655 nan 8.290 nan 0.000 0.484 374 K N 1.090 121.470 120.400 -0.034 0.000 2.416 374 K HA 0.349 4.669 4.320 -0.000 0.000 0.283 374 K C 0.555 177.108 176.600 -0.078 0.000 1.037 374 K CA -0.036 56.214 56.287 -0.060 0.000 0.995 374 K CB 0.463 32.938 32.500 -0.042 0.000 0.938 374 K HN 0.465 nan 8.250 nan 0.000 0.475 375 G N 6.055 114.802 108.800 -0.089 0.000 4.766 375 G HA2 0.278 4.238 3.960 -0.000 0.000 0.331 375 G HA3 0.278 4.238 3.960 -0.000 0.000 0.331 375 G C -0.620 174.264 174.900 -0.027 0.000 1.473 375 G CA -0.472 44.588 45.100 -0.066 0.000 1.076 375 G HN 0.451 nan 8.290 nan 0.000 0.544 376 I N 2.604 123.157 120.570 -0.028 0.000 2.307 376 I HA 0.181 4.351 4.170 -0.000 0.000 0.289 376 I C 1.730 177.857 176.117 0.018 0.000 1.021 376 I CA -0.563 60.739 61.300 0.004 0.000 1.224 376 I CB 0.634 38.624 38.000 -0.016 0.000 1.376 376 I HN 0.338 nan 8.210 nan 0.000 0.470 377 T N 2.837 117.425 114.554 0.057 0.000 3.023 377 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 377 T C 0.261 175.077 174.700 0.193 0.000 1.093 377 T CA 0.611 62.754 62.100 0.072 0.000 1.129 377 T CB 0.043 68.923 68.868 0.020 0.000 0.899 377 T HN 0.292 nan 8.240 nan 0.000 0.491 378 F N 1.014 120.975 119.950 0.018 0.000 2.604 378 F HA 0.482 5.008 4.527 -0.000 0.000 0.316 378 F C -2.222 173.602 175.800 0.040 0.000 1.136 378 F CA -1.588 56.428 58.000 0.027 0.000 0.989 378 F CB 1.912 40.928 39.000 0.027 0.000 1.258 378 F HN -0.147 nan 8.300 nan 0.000 0.451 379 D N 2.955 122.893 120.400 -0.769 0.000 2.454 379 D HA 0.201 4.841 4.640 -0.000 0.000 0.225 379 D C 0.769 176.593 176.300 -0.794 0.000 1.081 379 D CA 0.182 53.878 54.000 -0.507 0.000 0.864 379 D CB 1.613 42.250 40.800 -0.271 0.000 1.040 379 D HN 0.529 nan 8.370 nan 0.000 0.517 380 S N 2.291 117.733 115.700 -0.429 0.000 2.481 380 S HA 0.127 4.597 4.470 -0.000 0.000 0.231 380 S C 1.667 176.193 174.600 -0.123 0.000 0.996 380 S CA 0.840 58.932 58.200 -0.181 0.000 0.942 380 S CB 0.055 63.333 63.200 0.130 0.000 0.768 380 S HN 0.745 nan 8.310 nan 0.000 0.520 381 G N 0.554 109.289 108.800 -0.108 0.000 2.284 381 G HA2 0.170 4.130 3.960 -0.000 0.000 0.230 381 G HA3 0.170 4.130 3.960 -0.000 0.000 0.230 381 G C 1.213 176.111 174.900 -0.004 0.000 1.021 381 G CA 0.277 45.349 45.100 -0.046 0.000 0.619 381 G HN 1.890 nan 8.290 nan 0.000 0.510 382 G N -0.993 107.804 108.800 -0.005 0.000 2.642 382 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.231 382 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.231 382 G C 0.433 175.274 174.900 -0.099 0.000 1.338 382 G CA 0.425 45.525 45.100 -0.000 0.000 0.883 382 G HN 1.096 nan 8.290 nan 0.000 0.570 383 Y N 1.018 121.300 120.300 -0.031 0.000 2.298 383 Y HA -0.106 4.444 4.550 -0.000 0.000 0.287 383 Y C 2.341 178.211 175.900 -0.050 0.000 1.164 383 Y CA 2.065 60.138 58.100 -0.046 0.000 1.229 383 Y CB -0.254 38.161 38.460 -0.075 0.000 0.977 383 Y HN 0.439 nan 8.280 nan 0.000 0.538 384 N N 1.088 119.818 118.700 0.050 0.000 3.254 384 N HA 0.132 4.872 4.740 -0.000 0.000 0.308 384 N C -0.766 174.740 175.510 -0.007 0.000 1.281 384 N CA -0.234 52.822 53.050 0.012 0.000 1.212 384 N CB -0.194 38.286 38.487 -0.012 0.000 1.478 384 N HN 0.097 nan 8.380 nan 0.000 0.548 385 L N 0.759 121.975 121.223 -0.011 0.000 2.490 385 L HA 0.019 4.359 4.340 -0.000 0.000 0.274 385 L C 0.103 176.963 176.870 -0.017 0.000 1.201 385 L CA -0.010 54.815 54.840 -0.026 0.000 0.869 385 L CB 0.396 42.437 42.059 -0.030 0.000 1.123 385 L HN 0.244 nan 8.230 nan 0.000 0.484 386 K N 5.468 125.852 120.400 -0.026 0.000 1.985 386 K HA 0.113 4.433 4.320 -0.000 0.000 0.234 386 K C 0.712 177.306 176.600 -0.010 0.000 1.140 386 K CA 0.576 56.850 56.287 -0.022 0.000 1.141 386 K CB -0.082 32.392 32.500 -0.044 0.000 1.165 386 K HN 0.787 nan 8.250 nan 0.000 0.301 387 A N 1.978 124.794 122.820 -0.005 0.000 2.055 387 A HA 0.253 4.573 4.320 -0.000 0.000 0.205 387 A C 0.972 178.556 177.584 -0.002 0.000 1.235 387 A CA 0.099 52.136 52.037 -0.001 0.000 0.822 387 A CB 0.321 19.321 19.000 0.000 0.000 0.903 387 A HN 0.589 nan 8.150 nan 0.000 0.473 388 A N 1.366 124.185 122.820 -0.002 0.000 2.498 388 A HA 0.502 4.822 4.320 -0.000 0.000 0.239 388 A C -2.286 175.298 177.584 -0.000 0.000 1.068 388 A CA -0.984 51.053 52.037 -0.000 0.000 0.766 388 A CB -0.672 18.329 19.000 0.001 0.000 1.003 388 A HN 0.233 nan 8.150 nan 0.000 0.497 389 P HA 0.105 nan 4.420 nan 0.000 0.263 389 P C 1.051 178.352 177.300 0.001 0.000 1.168 389 P CA 2.102 65.202 63.100 -0.001 0.000 0.759 389 P CB 0.283 31.983 31.700 0.000 0.000 0.782 390 G N 2.361 111.156 108.800 -0.008 0.000 2.155 390 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 390 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 390 G C 0.994 175.887 174.900 -0.011 0.000 0.983 390 G CA 0.605 45.696 45.100 -0.015 0.000 0.676 390 G HN 0.650 nan 8.290 nan 0.000 0.528 391 S N -0.652 115.042 115.700 -0.010 0.000 2.528 391 S HA 0.311 4.781 4.470 -0.000 0.000 0.219 391 S C 1.459 176.038 174.600 -0.034 0.000 0.985 391 S CA 1.000 59.194 58.200 -0.010 0.000 0.914 391 S CB -0.355 62.841 63.200 -0.007 0.000 0.776 391 S HN 1.261 nan 8.310 nan 0.000 0.526 392 M N 0.414 119.988 119.600 -0.045 0.000 2.253 392 M HA -0.170 4.310 4.480 -0.000 0.000 0.195 392 M C 0.658 176.900 176.300 -0.095 0.000 0.512 392 M CA 0.311 55.565 55.300 -0.077 0.000 0.442 392 M CB -1.775 30.762 32.600 -0.105 0.000 1.189 392 M HN 0.504 nan 8.290 nan 0.000 0.923 393 I N 1.697 122.237 120.570 -0.050 0.000 2.335 393 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 393 I C 2.228 178.366 176.117 0.036 0.000 1.129 393 I CA 2.461 63.746 61.300 -0.025 0.000 1.402 393 I CB -0.043 37.975 38.000 0.031 0.000 1.069 393 I HN 0.657 nan 8.210 nan 0.000 0.424 394 D N 0.750 121.149 120.400 -0.002 0.000 2.265 394 D HA -0.262 4.378 4.640 -0.000 0.000 0.208 394 D C 1.976 178.199 176.300 -0.129 0.000 0.977 394 D CA 1.120 55.108 54.000 -0.021 0.000 0.871 394 D CB -0.587 40.177 40.800 -0.060 0.000 0.925 394 D HN 0.444 nan 8.370 nan 0.000 0.485 395 L N -0.808 120.254 121.223 -0.269 0.000 2.591 395 L HA 0.138 4.478 4.340 -0.000 0.000 0.228 395 L C 1.741 178.393 176.870 -0.363 0.000 1.133 395 L CA 0.470 54.962 54.840 -0.581 0.000 0.880 395 L CB -0.164 41.409 42.059 -0.810 0.000 1.033 395 L HN -0.196 nan 8.230 nan 0.000 0.450 396 M N 0.038 119.582 119.600 -0.094 0.000 2.619 396 M HA -0.028 4.452 4.480 -0.000 0.000 0.251 396 M C 1.804 178.173 176.300 0.115 0.000 1.106 396 M CA 0.683 55.960 55.300 -0.039 0.000 1.086 396 M CB -0.756 31.590 32.600 -0.422 0.000 1.465 396 M HN 0.473 nan 8.290 nan 0.000 0.506 397 K N 0.598 121.139 120.400 0.235 0.000 2.281 397 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 397 K C 1.542 178.252 176.600 0.183 0.000 1.046 397 K CA 1.355 57.770 56.287 0.212 0.000 0.938 397 K CB -1.040 31.528 32.500 0.113 0.000 0.737 397 K HN 0.484 nan 8.250 nan 0.000 0.458 398 F N 0.723 120.623 119.950 -0.084 0.000 2.811 398 F HA 0.174 4.701 4.527 -0.000 0.000 0.301 398 F C 0.840 176.627 175.800 -0.022 0.000 1.151 398 F CA -0.401 57.577 58.000 -0.037 0.000 1.412 398 F CB 0.082 39.042 39.000 -0.068 0.000 1.113 398 F HN -0.128 nan 8.300 nan 0.000 0.579 399 D N 1.807 122.178 120.400 -0.049 0.000 2.363 399 D HA -0.049 4.591 4.640 -0.000 0.000 0.226 399 D C 1.485 177.672 176.300 -0.188 0.000 1.020 399 D CA 0.737 54.588 54.000 -0.250 0.000 0.892 399 D CB 0.047 40.784 40.800 -0.105 0.000 0.900 399 D HN 0.482 nan 8.370 nan 0.000 0.531 400 M N -2.387 117.141 119.600 -0.121 0.000 2.404 400 M HA 0.404 4.884 4.480 -0.000 0.000 0.271 400 M C 1.457 177.704 176.300 -0.089 0.000 1.128 400 M CA -0.125 55.127 55.300 -0.082 0.000 0.982 400 M CB 0.136 32.715 32.600 -0.035 0.000 1.445 400 M HN -0.323 nan 8.290 nan 0.000 0.495 401 S N 1.636 117.247 115.700 -0.149 0.000 2.383 401 S HA -0.057 4.413 4.470 -0.000 0.000 0.229 401 S C 1.945 176.511 174.600 -0.057 0.000 1.030 401 S CA 1.823 59.960 58.200 -0.104 0.000 1.002 401 S CB -0.798 62.287 63.200 -0.192 0.000 0.829 401 S HN 0.794 nan 8.310 nan 0.000 0.467 402 G N 0.171 108.928 108.800 -0.071 0.000 2.480 402 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 402 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 402 G C 1.771 176.670 174.900 -0.001 0.000 1.200 402 G CA 1.101 46.190 45.100 -0.019 0.000 0.782 402 G HN 0.594 nan 8.290 nan 0.000 0.554 403 C N 1.090 120.376 119.300 -0.024 0.000 2.376 403 C HA -0.059 4.401 4.460 -0.000 0.000 0.275 403 C C 3.473 178.471 174.990 0.014 0.000 1.200 403 C CA 2.097 61.107 59.018 -0.014 0.000 1.756 403 C CB -1.158 26.557 27.740 -0.041 0.000 2.050 403 C HN 0.583 nan 8.230 nan 0.000 0.460 404 A N 0.224 123.039 122.820 -0.009 0.000 1.883 404 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 404 A C 2.507 180.105 177.584 0.024 0.000 1.186 404 A CA 2.692 54.719 52.037 -0.015 0.000 0.624 404 A CB -1.316 17.651 19.000 -0.055 0.000 0.822 404 A HN 0.969 nan 8.150 nan 0.000 0.444 405 A N -0.798 122.039 122.820 0.028 0.000 1.892 405 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 405 A C 2.267 179.895 177.584 0.073 0.000 1.188 405 A CA 1.993 54.054 52.037 0.041 0.000 0.631 405 A CB -1.028 18.004 19.000 0.054 0.000 0.822 405 A HN 0.453 nan 8.150 nan 0.000 0.447 406 V N -0.538 119.437 119.914 0.102 0.000 2.427 406 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 406 V C 2.449 178.654 176.094 0.185 0.000 1.051 406 V CA 1.638 64.052 62.300 0.188 0.000 1.048 406 V CB -0.471 31.466 31.823 0.189 0.000 0.666 406 V HN 0.475 nan 8.190 nan 0.000 0.456 407 L N 0.555 121.849 121.223 0.118 0.000 2.131 407 L HA 0.096 4.436 4.340 -0.000 0.000 0.206 407 L C 2.555 179.476 176.870 0.084 0.000 1.087 407 L CA 2.129 57.020 54.840 0.085 0.000 0.767 407 L CB -1.759 40.419 42.059 0.200 0.000 0.917 407 L HN 0.345 nan 8.230 nan 0.000 0.441 408 G N -1.751 107.142 108.800 0.154 0.000 2.470 408 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 408 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 408 G C 1.885 176.827 174.900 0.071 0.000 1.121 408 G CA 0.963 46.139 45.100 0.127 0.000 0.766 408 G HN 0.509 nan 8.290 nan 0.000 0.553 409 C N 0.543 119.876 119.300 0.055 0.000 2.486 409 C HA 0.389 4.849 4.460 -0.000 0.000 0.279 409 C C 3.381 178.370 174.990 -0.003 0.000 1.302 409 C CA 1.345 60.407 59.018 0.073 0.000 1.720 409 C CB -1.002 26.848 27.740 0.183 0.000 2.030 409 C HN 0.543 nan 8.230 nan 0.000 0.490 410 A N -0.330 122.302 122.820 -0.313 0.000 1.927 410 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 410 A C 2.080 179.434 177.584 -0.383 0.000 1.185 410 A CA 2.260 53.746 52.037 -0.918 0.000 0.639 410 A CB -1.423 16.889 19.000 -1.147 0.000 0.820 410 A HN 0.870 nan 8.150 nan 0.000 0.451 411 Y N 0.058 120.184 120.300 -0.291 0.000 2.128 411 Y HA -0.291 4.259 4.550 -0.000 0.000 0.284 411 Y C 2.563 178.413 175.900 -0.083 0.000 1.154 411 Y CA 1.677 59.666 58.100 -0.185 0.000 1.149 411 Y CB -0.807 37.550 38.460 -0.172 0.000 0.976 411 Y HN 0.379 nan 8.280 nan 0.000 0.505 412 C N -1.082 118.143 119.300 -0.124 0.000 2.466 412 C HA -0.091 4.369 4.460 -0.000 0.000 0.278 412 C C 2.813 177.701 174.990 -0.170 0.000 1.288 412 C CA 0.984 59.934 59.018 -0.113 0.000 1.722 412 C CB -1.102 26.663 27.740 0.041 0.000 2.017 412 C HN 0.494 nan 8.230 nan 0.000 0.488 413 V N 1.319 121.122 119.914 -0.186 0.000 2.379 413 V HA -0.055 4.065 4.120 -0.000 0.000 0.245 413 V C 2.675 178.481 176.094 -0.479 0.000 1.044 413 V CA 2.338 64.447 62.300 -0.319 0.000 1.036 413 V CB -1.443 30.255 31.823 -0.208 0.000 0.664 413 V HN 0.636 nan 8.190 nan 0.000 0.453 414 G N -0.569 108.013 108.800 -0.364 0.000 2.450 414 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 414 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 414 G C 1.646 176.417 174.900 -0.215 0.000 1.130 414 G CA 1.667 46.629 45.100 -0.229 0.000 0.760 414 G HN 0.499 nan 8.290 nan 0.000 0.557 415 T N 1.018 115.364 114.554 -0.347 0.000 2.818 415 T HA 0.086 4.436 4.350 -0.000 0.000 0.246 415 T C 2.342 176.953 174.700 -0.149 0.000 1.036 415 T CA 0.428 62.349 62.100 -0.298 0.000 1.160 415 T CB -0.257 68.291 68.868 -0.532 0.000 0.869 415 T HN 0.113 nan 8.240 nan 0.000 0.419 416 L N 0.730 121.878 121.223 -0.126 0.000 2.450 416 L HA 0.068 4.408 4.340 -0.000 0.000 0.224 416 L C 0.657 177.501 176.870 -0.044 0.000 1.149 416 L CA 0.671 55.479 54.840 -0.052 0.000 0.816 416 L CB -0.731 41.326 42.059 -0.002 0.000 0.932 416 L HN 0.330 nan 8.230 nan 0.000 0.449 417 K N -0.861 119.488 120.400 -0.085 0.000 3.156 417 K HA -0.155 4.165 4.320 -0.000 0.000 0.266 417 K C -2.034 174.628 176.600 0.103 0.000 0.966 417 K CA -0.190 56.123 56.287 0.044 0.000 0.719 417 K CB -1.573 31.001 32.500 0.123 0.000 1.333 417 K HN 0.319 nan 8.250 nan 0.000 0.468 418 P HA -0.122 nan 4.420 nan 0.000 0.267 418 P C -0.063 177.342 177.300 0.175 0.000 1.195 418 P CA 0.685 63.822 63.100 0.062 0.000 0.773 418 P CB 0.576 32.280 31.700 0.007 0.000 0.837 419 E N 1.052 121.314 120.200 0.104 0.000 2.314 419 E HA 0.116 4.466 4.350 -0.000 0.000 0.262 419 E C 0.346 176.990 176.600 0.074 0.000 1.093 419 E CA -0.658 55.795 56.400 0.087 0.000 0.908 419 E CB 0.175 29.902 29.700 0.045 0.000 1.091 419 E HN 0.399 nan 8.360 nan 0.000 0.425 420 N N -0.344 118.385 118.700 0.048 0.000 2.754 420 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 420 N C -1.384 174.142 175.510 0.026 0.000 1.093 420 N CA 0.483 53.546 53.050 0.022 0.000 0.699 420 N CB -0.929 37.563 38.487 0.007 0.000 1.016 420 N HN 0.144 nan 8.380 nan 0.000 0.552 421 V N 0.248 120.197 119.914 0.058 0.000 2.817 421 V HA 0.283 4.403 4.120 -0.000 0.000 0.303 421 V C -0.834 175.311 176.094 0.084 0.000 1.151 421 V CA -0.706 61.643 62.300 0.082 0.000 0.929 421 V CB 2.403 34.300 31.823 0.124 0.000 1.030 421 V HN 0.247 nan 8.190 nan 0.000 0.427 422 E N 5.892 126.114 120.200 0.036 0.000 2.155 422 E HA 0.654 5.004 4.350 -0.000 0.000 0.264 422 E C -1.550 175.025 176.600 -0.041 0.000 0.886 422 E CA -0.551 55.837 56.400 -0.019 0.000 0.752 422 E CB 1.515 31.197 29.700 -0.030 0.000 1.133 422 E HN 0.645 nan 8.360 nan 0.000 0.414 423 I N 4.448 124.964 120.570 -0.089 0.000 2.436 423 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 423 I C -0.367 175.462 176.117 -0.479 0.000 1.010 423 I CA -0.807 60.333 61.300 -0.267 0.000 1.098 423 I CB 1.524 39.282 38.000 -0.404 0.000 1.266 423 I HN 0.478 nan 8.210 nan 0.000 0.434 424 H N 6.477 125.433 119.070 -0.190 0.000 2.488 424 H HA 0.357 4.913 4.556 -0.000 0.000 0.322 424 H C -1.170 174.044 175.328 -0.190 0.000 1.078 424 H CA -0.457 55.586 56.048 -0.009 0.000 1.260 424 H CB 1.178 31.023 29.762 0.138 0.000 1.425 424 H HN 0.360 nan 8.280 nan 0.000 0.471 425 F N 3.989 124.103 119.950 0.273 0.000 2.334 425 F HA 0.291 4.818 4.527 -0.000 0.000 0.367 425 F C 0.181 176.035 175.800 0.089 0.000 1.115 425 F CA -0.578 57.520 58.000 0.162 0.000 1.116 425 F CB 0.651 39.738 39.000 0.144 0.000 1.230 425 F HN 0.177 nan 8.300 nan 0.000 0.484 426 L N 2.494 123.781 121.223 0.107 0.000 2.329 426 L HA 0.671 5.011 4.340 -0.000 0.000 0.279 426 L C -0.071 176.626 176.870 -0.288 0.000 1.014 426 L CA -0.663 54.084 54.840 -0.156 0.000 0.814 426 L CB 2.061 44.048 42.059 -0.119 0.000 1.257 426 L HN 0.477 nan 8.230 nan 0.000 0.424 427 S N 1.403 116.731 115.700 -0.620 0.000 2.668 427 S HA 0.606 5.076 4.470 -0.000 0.000 0.277 427 S C -0.494 173.550 174.600 -0.926 0.000 1.170 427 S CA -0.511 57.343 58.200 -0.578 0.000 0.994 427 S CB 1.560 64.597 63.200 -0.272 0.000 1.051 427 S HN 0.667 nan 8.310 nan 0.000 0.484 428 A N 4.591 126.920 122.820 -0.819 0.000 2.666 428 A HA 0.511 4.831 4.320 -0.000 0.000 0.301 428 A C 0.008 177.346 177.584 -0.410 0.000 1.470 428 A CA -0.228 51.291 52.037 -0.863 0.000 1.159 428 A CB -0.432 17.830 19.000 -1.229 0.000 1.116 428 A HN 0.688 nan 8.150 nan 0.000 0.548 429 V N 2.850 122.724 119.914 -0.067 0.000 2.498 429 V HA 0.461 4.581 4.120 -0.000 0.000 0.279 429 V C 0.601 176.870 176.094 0.292 0.000 1.048 429 V CA 0.052 62.406 62.300 0.089 0.000 0.967 429 V CB -0.123 31.724 31.823 0.041 0.000 0.988 429 V HN 1.231 nan 8.190 nan 0.000 0.473 430 C N 2.511 121.938 119.300 0.211 0.000 3.253 430 C HA 0.815 5.275 4.460 -0.000 0.000 0.362 430 C C -0.908 174.163 174.990 0.135 0.000 1.487 430 C CA -0.866 58.266 59.018 0.190 0.000 1.179 430 C CB 1.607 29.476 27.740 0.215 0.000 1.660 430 C HN 0.896 nan 8.230 nan 0.000 0.438 431 E N 0.613 120.897 120.200 0.142 0.000 2.343 431 E HA 0.531 4.881 4.350 -0.000 0.000 0.270 431 E C -1.755 174.928 176.600 0.139 0.000 0.895 431 E CA -0.362 56.136 56.400 0.163 0.000 0.767 431 E CB 1.900 31.747 29.700 0.245 0.000 1.248 431 E HN 0.683 nan 8.360 nan 0.000 0.440 432 N N 4.093 122.873 118.700 0.133 0.000 2.564 432 N HA 0.284 5.024 4.740 -0.000 0.000 0.248 432 N C -1.268 174.320 175.510 0.132 0.000 0.986 432 N CA -0.232 52.884 53.050 0.110 0.000 0.921 432 N CB 0.603 39.132 38.487 0.070 0.000 1.136 432 N HN 0.418 nan 8.380 nan 0.000 0.509 433 M N 1.521 121.198 119.600 0.128 0.000 2.690 433 M HA 0.478 4.958 4.480 -0.000 0.000 0.302 433 M C -0.604 175.701 176.300 0.009 0.000 1.234 433 M CA -1.045 54.315 55.300 0.099 0.000 0.853 433 M CB 1.759 34.422 32.600 0.106 0.000 1.748 433 M HN -0.025 nan 8.290 nan 0.000 0.469 434 V N 0.974 120.838 119.914 -0.083 0.000 2.407 434 V HA 0.705 4.825 4.120 -0.000 0.000 0.278 434 V C 0.026 176.023 176.094 -0.163 0.000 1.037 434 V CA -0.167 61.955 62.300 -0.297 0.000 0.900 434 V CB 1.307 32.898 31.823 -0.387 0.000 0.983 434 V HN 0.965 nan 8.190 nan 0.000 0.459 435 S N 3.041 118.679 115.700 -0.102 0.000 2.597 435 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 435 S C 0.559 175.260 174.600 0.168 0.000 1.132 435 S CA -0.232 57.989 58.200 0.035 0.000 0.835 435 S CB 1.488 64.709 63.200 0.035 0.000 1.092 435 S HN 0.883 nan 8.310 nan 0.000 0.457 436 K N 1.970 122.446 120.400 0.128 0.000 2.362 436 K HA -0.082 4.238 4.320 -0.000 0.000 0.202 436 K C 0.833 177.503 176.600 0.116 0.000 1.045 436 K CA 2.228 58.590 56.287 0.124 0.000 0.936 436 K CB -0.591 31.949 32.500 0.066 0.000 0.747 436 K HN 0.548 nan 8.250 nan 0.000 0.467 437 N N 0.177 118.944 118.700 0.111 0.000 2.254 437 N HA 0.058 4.798 4.740 -0.000 0.000 0.190 437 N C -0.589 175.006 175.510 0.141 0.000 1.107 437 N CA -0.370 52.736 53.050 0.093 0.000 0.869 437 N CB 0.614 39.133 38.487 0.054 0.000 0.983 437 N HN 0.035 nan 8.380 nan 0.000 0.487 438 S N 0.991 116.828 115.700 0.228 0.000 2.584 438 S HA 0.000 4.470 4.470 -0.000 0.000 0.270 438 S C -0.174 174.631 174.600 0.342 0.000 1.346 438 S CA -0.498 57.890 58.200 0.312 0.000 1.018 438 S CB 0.156 63.593 63.200 0.394 0.000 0.899 438 S HN 0.276 nan 8.310 nan 0.000 0.542 439 Y N 1.108 121.477 120.300 0.116 0.000 2.357 439 Y HA 0.583 5.133 4.550 -0.000 0.000 0.340 439 Y C 0.149 176.114 175.900 0.108 0.000 1.260 439 Y CA -1.095 57.053 58.100 0.080 0.000 1.425 439 Y CB 0.237 38.730 38.460 0.055 0.000 1.326 439 Y HN 0.464 nan 8.280 nan 0.000 0.580 440 R N 2.156 122.572 120.500 -0.140 0.000 2.740 440 R HA 0.462 4.802 4.340 -0.000 0.000 0.282 440 R C -2.746 173.377 176.300 -0.295 0.000 0.969 440 R CA -2.278 53.679 56.100 -0.239 0.000 0.918 440 R CB 1.531 31.700 30.300 -0.218 0.000 1.175 440 R HN 0.467 nan 8.270 nan 0.000 0.464 441 P HA -0.045 nan 4.420 nan 0.000 0.260 441 P C 0.482 177.703 177.300 -0.131 0.000 1.172 441 P CA 1.175 64.166 63.100 -0.181 0.000 0.760 441 P CB 0.599 32.227 31.700 -0.119 0.000 0.773 442 G N 2.408 111.153 108.800 -0.091 0.000 2.284 442 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 442 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 442 G C -0.046 174.833 174.900 -0.035 0.000 1.009 442 G CA -0.369 44.697 45.100 -0.056 0.000 0.625 442 G HN 0.490 nan 8.290 nan 0.000 0.501 443 D N 0.607 120.985 120.400 -0.035 0.000 2.478 443 D HA 0.395 5.035 4.640 -0.000 0.000 0.234 443 D C 0.637 176.968 176.300 0.052 0.000 1.154 443 D CA 0.555 54.563 54.000 0.014 0.000 0.874 443 D CB 0.747 41.582 40.800 0.060 0.000 1.198 443 D HN 0.372 nan 8.370 nan 0.000 0.455 444 I N 2.914 123.517 120.570 0.056 0.000 2.362 444 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 444 I C 0.074 176.245 176.117 0.091 0.000 0.994 444 I CA -0.670 60.678 61.300 0.079 0.000 1.158 444 I CB 0.865 38.906 38.000 0.067 0.000 1.315 444 I HN 0.211 nan 8.210 nan 0.000 0.451 445 I N 2.143 122.782 120.570 0.116 0.000 2.740 445 I HA 0.606 4.776 4.170 -0.000 0.000 0.303 445 I C -0.787 175.399 176.117 0.115 0.000 1.044 445 I CA -0.466 60.900 61.300 0.110 0.000 1.064 445 I CB 2.394 40.469 38.000 0.126 0.000 1.249 445 I HN 0.286 nan 8.210 nan 0.000 0.433 446 T N 3.990 118.601 114.554 0.095 0.000 2.758 446 T HA 0.626 4.976 4.350 -0.000 0.000 0.285 446 T C 0.386 175.151 174.700 0.109 0.000 0.981 446 T CA -0.360 61.800 62.100 0.101 0.000 0.965 446 T CB 1.246 70.159 68.868 0.075 0.000 0.927 446 T HN 0.826 nan 8.240 nan 0.000 0.448 447 A N 2.547 125.458 122.820 0.152 0.000 2.366 447 A HA 0.391 4.711 4.320 -0.000 0.000 0.250 447 A C 1.808 179.466 177.584 0.123 0.000 1.099 447 A CA -0.043 52.084 52.037 0.150 0.000 0.794 447 A CB -0.095 19.069 19.000 0.274 0.000 1.056 447 A HN 0.971 nan 8.150 nan 0.000 0.499 448 S N 0.302 116.065 115.700 0.106 0.000 2.469 448 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 448 S C 0.939 175.586 174.600 0.079 0.000 0.998 448 S CA 1.283 59.533 58.200 0.082 0.000 0.957 448 S CB -0.566 62.678 63.200 0.073 0.000 0.764 448 S HN 0.910 nan 8.310 nan 0.000 0.514 449 N N 0.932 119.699 118.700 0.112 0.000 2.276 449 N HA 0.262 5.002 4.740 -0.000 0.000 0.212 449 N C 1.162 176.696 175.510 0.039 0.000 1.127 449 N CA 0.462 53.549 53.050 0.063 0.000 0.834 449 N CB -0.341 38.177 38.487 0.050 0.000 1.014 449 N HN 0.551 nan 8.380 nan 0.000 0.491 450 G N 0.147 108.983 108.800 0.061 0.000 2.205 450 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.261 450 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.261 450 G C -0.215 174.715 174.900 0.049 0.000 0.980 450 G CA 0.151 45.277 45.100 0.044 0.000 0.632 450 G HN 0.463 nan 8.290 nan 0.000 0.533 451 K N 2.205 122.646 120.400 0.069 0.000 2.379 451 K HA 0.391 4.711 4.320 -0.000 0.000 0.284 451 K C 0.800 177.480 176.600 0.133 0.000 1.044 451 K CA 0.621 56.946 56.287 0.064 0.000 0.974 451 K CB 0.621 33.117 32.500 -0.007 0.000 0.962 451 K HN 0.429 nan 8.250 nan 0.000 0.474 452 T N 0.643 115.261 114.554 0.106 0.000 2.856 452 T HA 0.522 4.872 4.350 -0.000 0.000 0.292 452 T C 0.270 175.070 174.700 0.167 0.000 0.980 452 T CA -0.743 61.432 62.100 0.126 0.000 1.091 452 T CB 0.500 69.426 68.868 0.098 0.000 0.936 452 T HN 0.370 nan 8.240 nan 0.000 0.503 453 I N 1.921 122.605 120.570 0.191 0.000 2.466 453 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 453 I C 0.035 176.255 176.117 0.173 0.000 1.026 453 I CA -0.852 60.589 61.300 0.235 0.000 1.078 453 I CB 2.239 40.429 38.000 0.317 0.000 1.249 453 I HN 0.757 nan 8.210 nan 0.000 0.429 454 E N 6.248 126.539 120.200 0.151 0.000 2.081 454 E HA 0.326 4.676 4.350 -0.000 0.000 0.281 454 E C -1.100 175.545 176.600 0.075 0.000 0.986 454 E CA -0.648 55.815 56.400 0.106 0.000 0.796 454 E CB 1.323 31.086 29.700 0.106 0.000 1.085 454 E HN 0.385 nan 8.360 nan 0.000 0.398 455 V N 5.054 125.004 119.914 0.060 0.000 2.450 455 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 455 V C 1.264 177.340 176.094 -0.030 0.000 1.019 455 V CA 0.867 63.178 62.300 0.018 0.000 1.062 455 V CB 1.072 32.900 31.823 0.008 0.000 0.979 455 V HN 0.941 nan 8.190 nan 0.000 0.477 456 G N 3.875 112.653 108.800 -0.037 0.000 2.662 456 G HA2 0.023 3.983 3.960 -0.000 0.000 0.212 456 G HA3 0.023 3.983 3.960 -0.000 0.000 0.212 456 G C 0.547 175.412 174.900 -0.059 0.000 1.141 456 G CA 0.116 45.193 45.100 -0.039 0.000 0.797 456 G HN 0.614 nan 8.290 nan 0.000 0.531 457 N N -0.206 118.449 118.700 -0.074 0.000 2.537 457 N HA 0.039 4.779 4.740 -0.000 0.000 0.281 457 N C 0.971 176.429 175.510 -0.087 0.000 1.097 457 N CA 0.285 53.291 53.050 -0.073 0.000 0.964 457 N CB 1.243 39.701 38.487 -0.047 0.000 1.588 457 N HN -0.031 nan 8.380 nan 0.000 0.511 458 T N -0.836 113.634 114.554 -0.140 0.000 3.077 458 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 458 T C 0.904 175.645 174.700 0.068 0.000 1.146 458 T CA 0.994 62.995 62.100 -0.163 0.000 1.091 458 T CB 0.116 68.796 68.868 -0.313 0.000 0.892 458 T HN 0.374 nan 8.240 nan 0.000 0.533 459 D N 1.270 121.681 120.400 0.018 0.000 2.350 459 D HA 0.279 4.919 4.640 -0.000 0.000 0.213 459 D C 1.453 177.763 176.300 0.016 0.000 1.031 459 D CA 0.129 54.141 54.000 0.021 0.000 0.861 459 D CB -0.240 40.558 40.800 -0.004 0.000 0.926 459 D HN 0.492 nan 8.370 nan 0.000 0.520 460 A N 1.145 123.969 122.820 0.005 0.000 2.840 460 A HA 0.072 4.392 4.320 -0.000 0.000 0.269 460 A C 1.612 179.194 177.584 -0.002 0.000 1.439 460 A CA -0.115 51.905 52.037 -0.027 0.000 1.083 460 A CB -0.449 18.501 19.000 -0.082 0.000 1.019 460 A HN 0.196 nan 8.150 nan 0.000 0.607 461 E N 0.179 120.413 120.200 0.056 0.000 2.152 461 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 461 E C 1.667 178.277 176.600 0.017 0.000 0.983 461 E CA 1.419 57.868 56.400 0.082 0.000 0.818 461 E CB -1.152 28.616 29.700 0.113 0.000 0.758 461 E HN 0.353 nan 8.360 nan 0.000 0.467 462 G N 2.835 111.635 108.800 0.000 0.000 2.491 462 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.218 462 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.218 462 G C 1.855 176.749 174.900 -0.010 0.000 1.180 462 G CA 1.773 46.868 45.100 -0.009 0.000 0.774 462 G HN 0.497 nan 8.290 nan 0.000 0.562 463 R N 0.338 120.825 120.500 -0.021 0.000 2.237 463 R HA 0.156 4.496 4.340 -0.000 0.000 0.219 463 R C 2.218 178.563 176.300 0.076 0.000 1.080 463 R CA 0.931 57.045 56.100 0.024 0.000 0.995 463 R CB -0.497 29.796 30.300 -0.013 0.000 0.875 463 R HN 0.415 nan 8.270 nan 0.000 0.462 464 L N 1.492 122.721 121.223 0.010 0.000 2.068 464 L HA -0.073 4.267 4.340 -0.000 0.000 0.204 464 L C 2.787 179.648 176.870 -0.016 0.000 1.076 464 L CA 1.743 56.594 54.840 0.020 0.000 0.753 464 L CB -0.711 41.359 42.059 0.019 0.000 0.910 464 L HN 0.394 nan 8.230 nan 0.000 0.439 465 T N -1.709 112.840 114.554 -0.007 0.000 2.737 465 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 465 T C 1.936 176.560 174.700 -0.127 0.000 1.038 465 T CA 0.826 62.901 62.100 -0.041 0.000 1.144 465 T CB -0.629 68.213 68.868 -0.043 0.000 0.866 465 T HN 0.153 nan 8.240 nan 0.000 0.434 466 L N 1.213 122.385 121.223 -0.084 0.000 2.079 466 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 466 L C 3.375 180.176 176.870 -0.114 0.000 1.081 466 L CA 1.367 56.169 54.840 -0.064 0.000 0.752 466 L CB -0.936 41.120 42.059 -0.004 0.000 0.896 466 L HN 0.437 nan 8.230 nan 0.000 0.433 467 A N -0.192 122.487 122.820 -0.235 0.000 1.873 467 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 467 A C 2.010 179.380 177.584 -0.357 0.000 1.193 467 A CA 2.245 53.912 52.037 -0.616 0.000 0.629 467 A CB -0.586 17.688 19.000 -1.211 0.000 0.826 467 A HN 0.378 nan 8.150 nan 0.000 0.447 468 D N -0.544 119.745 120.400 -0.185 0.000 2.183 468 D HA 0.048 4.688 4.640 -0.000 0.000 0.203 468 D C 2.214 178.540 176.300 0.043 0.000 0.969 468 D CA 1.213 55.196 54.000 -0.028 0.000 0.842 468 D CB -0.203 40.629 40.800 0.054 0.000 0.957 468 D HN 0.418 nan 8.370 nan 0.000 0.484 469 A N 0.573 123.413 122.820 0.033 0.000 1.930 469 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 469 A C 2.355 180.043 177.584 0.173 0.000 1.175 469 A CA 0.707 52.847 52.037 0.172 0.000 0.627 469 A CB -0.588 18.443 19.000 0.051 0.000 0.815 469 A HN 0.185 nan 8.150 nan 0.000 0.443 470 L N -0.413 120.851 121.223 0.070 0.000 2.093 470 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 470 L C 2.665 179.572 176.870 0.062 0.000 1.085 470 L CA 1.286 56.156 54.840 0.051 0.000 0.755 470 L CB -0.499 41.532 42.059 -0.048 0.000 0.904 470 L HN 0.405 nan 8.230 nan 0.000 0.435 471 V N -1.457 118.504 119.914 0.078 0.000 2.407 471 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 471 V C 2.284 178.418 176.094 0.067 0.000 1.055 471 V CA 1.619 63.964 62.300 0.075 0.000 1.049 471 V CB -0.617 31.265 31.823 0.099 0.000 0.662 471 V HN 0.466 nan 8.190 nan 0.000 0.455 472 Y N 1.671 121.953 120.300 -0.030 0.000 2.089 472 Y HA -0.123 4.427 4.550 -0.000 0.000 0.282 472 Y C 2.609 178.482 175.900 -0.045 0.000 1.139 472 Y CA 2.665 60.725 58.100 -0.067 0.000 1.123 472 Y CB -0.910 37.477 38.460 -0.122 0.000 0.980 472 Y HN 0.343 nan 8.280 nan 0.000 0.493 473 A N 0.225 123.163 122.820 0.196 0.000 1.884 473 A HA -0.345 3.975 4.320 -0.000 0.000 0.219 473 A C 2.220 179.787 177.584 -0.029 0.000 1.197 473 A CA 2.312 54.400 52.037 0.086 0.000 0.637 473 A CB -1.143 17.945 19.000 0.146 0.000 0.827 473 A HN 0.678 nan 8.150 nan 0.000 0.450 474 E N -0.536 119.658 120.200 -0.011 0.000 2.153 474 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 474 E C 1.776 178.328 176.600 -0.079 0.000 0.988 474 E CA 1.009 57.391 56.400 -0.030 0.000 0.811 474 E CB -0.064 29.625 29.700 -0.019 0.000 0.746 474 E HN 0.548 nan 8.360 nan 0.000 0.466 475 K N 0.066 120.391 120.400 -0.126 0.000 2.504 475 K HA -0.078 4.242 4.320 -0.000 0.000 0.195 475 K C 1.382 177.863 176.600 -0.198 0.000 1.036 475 K CA 0.094 56.288 56.287 -0.156 0.000 0.984 475 K CB 0.193 32.584 32.500 -0.183 0.000 0.788 475 K HN 0.145 nan 8.250 nan 0.000 0.488 476 L N 0.034 121.117 121.223 -0.235 0.000 2.478 476 L HA 0.050 4.390 4.340 -0.000 0.000 0.223 476 L C 1.007 177.792 176.870 -0.141 0.000 1.140 476 L CA 1.087 55.778 54.840 -0.250 0.000 0.842 476 L CB -0.750 41.072 42.059 -0.394 0.000 0.953 476 L HN 0.384 nan 8.230 nan 0.000 0.452 477 G N 0.169 108.913 108.800 -0.092 0.000 2.291 477 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.271 477 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.271 477 G C 0.254 175.139 174.900 -0.024 0.000 1.099 477 G CA 0.330 45.401 45.100 -0.048 0.000 0.919 477 G HN 0.405 nan 8.290 nan 0.000 0.496 478 V N -3.494 116.413 119.914 -0.011 0.000 3.109 478 V HA 0.803 4.923 4.120 -0.000 0.000 0.317 478 V C 1.021 177.112 176.094 -0.005 0.000 1.074 478 V CA 0.195 62.506 62.300 0.017 0.000 1.033 478 V CB 1.618 33.483 31.823 0.070 0.000 1.111 478 V HN 0.020 nan 8.190 nan 0.000 0.458 479 D N -0.636 119.721 120.400 -0.071 0.000 2.259 479 D HA 0.125 4.765 4.640 -0.000 0.000 0.216 479 D C -0.214 176.034 176.300 -0.087 0.000 0.961 479 D CA 1.645 55.519 54.000 -0.210 0.000 0.878 479 D CB 0.020 40.509 40.800 -0.518 0.000 1.009 479 D HN 0.635 nan 8.370 nan 0.000 0.490 480 Y N -0.121 120.254 120.300 0.125 0.000 2.425 480 Y HA 0.524 5.074 4.550 -0.000 0.000 0.344 480 Y C -0.013 175.990 175.900 0.172 0.000 0.969 480 Y CA -1.222 56.976 58.100 0.163 0.000 1.052 480 Y CB 1.615 40.213 38.460 0.230 0.000 1.215 480 Y HN -0.302 nan 8.280 nan 0.000 0.451 481 I N 3.293 124.077 120.570 0.356 0.000 2.406 481 I HA 0.563 4.733 4.170 -0.000 0.000 0.290 481 I C -1.028 175.224 176.117 0.226 0.000 0.999 481 I CA -0.940 60.543 61.300 0.306 0.000 1.124 481 I CB 1.703 39.930 38.000 0.377 0.000 1.289 481 I HN 0.229 nan 8.210 nan 0.000 0.441 482 V N 4.537 124.526 119.914 0.125 0.000 2.540 482 V HA 0.373 4.493 4.120 -0.000 0.000 0.302 482 V C -0.922 175.213 176.094 0.068 0.000 1.035 482 V CA -0.595 61.687 62.300 -0.031 0.000 0.873 482 V CB 2.030 33.717 31.823 -0.226 0.000 0.992 482 V HN 0.848 nan 8.190 nan 0.000 0.428 483 D N 3.882 124.344 120.400 0.104 0.000 2.350 483 D HA 0.656 5.296 4.640 -0.000 0.000 0.245 483 D C -0.733 175.652 176.300 0.142 0.000 1.036 483 D CA -0.465 53.645 54.000 0.183 0.000 0.848 483 D CB 2.307 43.310 40.800 0.338 0.000 1.307 483 D HN 0.521 nan 8.370 nan 0.000 0.469 484 I N 1.092 121.729 120.570 0.111 0.000 2.582 484 I HA 0.762 4.932 4.170 -0.000 0.000 0.292 484 I C -1.697 174.468 176.117 0.080 0.000 1.066 484 I CA -0.700 60.648 61.300 0.080 0.000 1.053 484 I CB 1.459 39.490 38.000 0.053 0.000 1.241 484 I HN 0.817 nan 8.210 nan 0.000 0.421 485 A N 3.291 126.153 122.820 0.070 0.000 2.565 485 A HA 0.453 4.773 4.320 -0.000 0.000 0.298 485 A C -0.447 177.140 177.584 0.005 0.000 1.062 485 A CA -0.447 51.622 52.037 0.053 0.000 0.723 485 A CB 1.059 20.147 19.000 0.147 0.000 1.282 485 A HN 0.688 nan 8.150 nan 0.000 0.400 486 T N 1.569 116.064 114.554 -0.099 0.000 4.313 486 T HA 0.299 4.649 4.350 -0.000 0.000 0.272 486 T C 0.967 175.638 174.700 -0.048 0.000 1.298 486 T CA -0.099 61.903 62.100 -0.164 0.000 1.124 486 T CB -0.437 68.125 68.868 -0.510 0.000 1.352 486 T HN 0.528 nan 8.240 nan 0.000 1.013 487 L N 2.530 123.783 121.223 0.050 0.000 2.023 487 L HA 0.194 4.534 4.340 -0.000 0.000 0.205 487 L C 1.331 178.246 176.870 0.075 0.000 1.073 487 L CA 1.521 56.413 54.840 0.085 0.000 0.745 487 L CB -0.311 41.862 42.059 0.191 0.000 0.900 487 L HN 0.818 nan 8.230 nan 0.000 0.435 488 T N -4.799 109.815 114.554 0.100 0.000 2.928 488 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 488 T C 0.975 175.752 174.700 0.129 0.000 1.000 488 T CA -0.341 61.820 62.100 0.102 0.000 0.989 488 T CB 1.316 70.244 68.868 0.101 0.000 1.005 488 T HN 0.184 nan 8.240 nan 0.000 0.442 489 G N 1.680 110.558 108.800 0.130 0.000 2.517 489 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.222 489 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.222 489 G C 1.630 176.643 174.900 0.189 0.000 1.109 489 G CA 0.867 46.058 45.100 0.151 0.000 0.746 489 G HN 1.215 nan 8.290 nan 0.000 0.576 490 A N 0.583 123.524 122.820 0.203 0.000 1.986 490 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 490 A C 2.385 180.113 177.584 0.240 0.000 1.171 490 A CA 1.974 54.168 52.037 0.263 0.000 0.640 490 A CB -0.333 18.774 19.000 0.178 0.000 0.811 490 A HN 0.315 nan 8.150 nan 0.000 0.451 491 M N -0.578 119.127 119.600 0.176 0.000 2.195 491 M HA -0.124 4.356 4.480 -0.000 0.000 0.260 491 M C 1.953 178.297 176.300 0.073 0.000 1.066 491 M CA 1.169 56.556 55.300 0.144 0.000 1.089 491 M CB -1.377 31.305 32.600 0.136 0.000 1.377 491 M HN 0.425 nan 8.290 nan 0.000 0.411 492 L N -1.958 119.266 121.223 0.001 0.000 2.353 492 L HA -0.210 4.130 4.340 -0.000 0.000 0.220 492 L C 1.662 178.353 176.870 -0.298 0.000 1.133 492 L CA 1.043 55.769 54.840 -0.190 0.000 0.798 492 L CB -0.480 41.364 42.059 -0.358 0.000 0.922 492 L HN 0.258 nan 8.230 nan 0.000 0.445 493 Y N -2.135 118.174 120.300 0.016 0.000 2.462 493 Y HA -0.000 4.550 4.550 -0.000 0.000 0.253 493 Y C 2.618 178.518 175.900 -0.001 0.000 1.095 493 Y CA 0.433 58.532 58.100 -0.000 0.000 1.283 493 Y CB 0.237 38.698 38.460 0.003 0.000 1.138 493 Y HN 0.148 nan 8.280 nan 0.000 0.522 494 S N -0.458 115.329 115.700 0.145 0.000 2.384 494 S HA 0.041 4.511 4.470 -0.000 0.000 0.217 494 S C 1.547 176.148 174.600 0.002 0.000 1.041 494 S CA 0.589 58.840 58.200 0.085 0.000 0.948 494 S CB -0.467 62.809 63.200 0.126 0.000 0.872 494 S HN 0.322 nan 8.310 nan 0.000 0.512 495 L N 0.764 121.991 121.223 0.008 0.000 2.537 495 L HA 0.407 4.747 4.340 -0.000 0.000 0.224 495 L C 1.506 178.348 176.870 -0.047 0.000 1.065 495 L CA 0.430 55.243 54.840 -0.044 0.000 0.860 495 L CB -0.283 41.801 42.059 0.042 0.000 1.086 495 L HN 0.715 nan 8.230 nan 0.000 0.482 496 G N 0.848 109.634 108.800 -0.024 0.000 2.508 496 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.220 496 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.220 496 G C 0.473 175.384 174.900 0.020 0.000 1.287 496 G CA 0.055 45.132 45.100 -0.039 0.000 0.916 496 G HN 0.146 nan 8.290 nan 0.000 0.574 497 T N -2.429 112.154 114.554 0.047 0.000 3.107 497 T HA 0.499 4.849 4.350 -0.000 0.000 0.249 497 T C 1.869 176.644 174.700 0.124 0.000 1.096 497 T CA 1.725 63.900 62.100 0.125 0.000 1.012 497 T CB 0.562 69.540 68.868 0.184 0.000 0.977 497 T HN 1.440 nan 8.240 nan 0.000 0.527 498 S N -0.498 115.286 115.700 0.140 0.000 2.641 498 S HA 0.337 4.807 4.470 -0.000 0.000 0.239 498 S C -0.200 174.609 174.600 0.348 0.000 1.081 498 S CA -0.663 57.677 58.200 0.234 0.000 0.904 498 S CB 0.117 63.471 63.200 0.256 0.000 0.803 498 S HN 0.582 nan 8.310 nan 0.000 0.510 499 Y N 1.821 122.140 120.300 0.032 0.000 2.341 499 Y HA 0.685 5.235 4.550 -0.000 0.000 0.337 499 Y C 0.603 176.502 175.900 -0.002 0.000 1.014 499 Y CA -1.019 57.125 58.100 0.074 0.000 1.111 499 Y CB 1.534 40.049 38.460 0.093 0.000 1.194 499 Y HN 0.347 nan 8.280 nan 0.000 0.462 500 A N 2.343 125.207 122.820 0.073 0.000 2.296 500 A HA 0.648 4.968 4.320 -0.000 0.000 0.264 500 A C 0.400 178.072 177.584 0.146 0.000 1.097 500 A CA 0.125 52.158 52.037 -0.007 0.000 0.811 500 A CB 0.025 18.975 19.000 -0.083 0.000 1.072 500 A HN 0.845 nan 8.150 nan 0.000 0.495 501 G N -1.539 107.328 108.800 0.111 0.000 2.420 501 G HA2 0.546 4.506 3.960 -0.000 0.000 0.331 501 G HA3 0.546 4.506 3.960 -0.000 0.000 0.331 501 G C -1.167 173.717 174.900 -0.027 0.000 1.168 501 G CA -0.276 44.871 45.100 0.078 0.000 0.936 501 G HN 1.309 nan 8.290 nan 0.000 0.479 502 V N 1.722 121.543 119.914 -0.155 0.000 2.604 502 V HA 0.857 4.977 4.120 -0.000 0.000 0.305 502 V C -1.411 174.517 176.094 -0.277 0.000 1.043 502 V CA -0.966 61.239 62.300 -0.159 0.000 0.888 502 V CB 1.316 33.041 31.823 -0.163 0.000 0.995 502 V HN 0.557 nan 8.190 nan 0.000 0.429 503 F N 4.262 124.192 119.950 -0.033 0.000 2.563 503 F HA 0.974 5.501 4.527 -0.000 0.000 0.316 503 F C 0.670 176.341 175.800 -0.215 0.000 1.076 503 F CA 0.156 58.192 58.000 0.059 0.000 0.921 503 F CB 2.572 41.669 39.000 0.162 0.000 1.209 503 F HN 0.834 nan 8.300 nan 0.000 0.462 504 G N 0.862 109.689 108.800 0.046 0.000 2.488 504 G HA2 0.242 4.202 3.960 -0.000 0.000 0.301 504 G HA3 0.242 4.202 3.960 -0.000 0.000 0.301 504 G C -1.230 173.751 174.900 0.135 0.000 1.339 504 G CA -0.884 44.062 45.100 -0.256 0.000 0.803 504 G HN 0.597 nan 8.290 nan 0.000 0.482 505 N N -0.349 118.507 118.700 0.259 0.000 2.235 505 N HA 0.126 4.866 4.740 -0.000 0.000 0.209 505 N C -0.009 175.615 175.510 0.190 0.000 1.122 505 N CA -0.303 52.934 53.050 0.312 0.000 0.845 505 N CB 0.592 39.334 38.487 0.424 0.000 1.004 505 N HN 0.457 nan 8.380 nan 0.000 0.499 506 N N 0.432 119.189 118.700 0.095 0.000 2.503 506 N HA 0.016 4.756 4.740 -0.000 0.000 0.287 506 N C -0.410 175.046 175.510 -0.088 0.000 1.096 506 N CA -0.141 52.932 53.050 0.039 0.000 0.936 506 N CB 1.869 40.399 38.487 0.073 0.000 1.570 506 N HN 0.136 nan 8.380 nan 0.000 0.504 507 E N 2.145 122.298 120.200 -0.078 0.000 2.072 507 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 507 E C 1.146 177.591 176.600 -0.258 0.000 0.985 507 E CA 1.355 57.631 56.400 -0.208 0.000 0.801 507 E CB 0.332 29.991 29.700 -0.068 0.000 0.750 507 E HN 0.662 nan 8.360 nan 0.000 0.452 508 E N 1.046 121.157 120.200 -0.149 0.000 2.051 508 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 508 E C 2.297 178.757 176.600 -0.233 0.000 0.991 508 E CA 0.780 57.093 56.400 -0.145 0.000 0.799 508 E CB -0.816 28.854 29.700 -0.050 0.000 0.748 508 E HN 0.292 nan 8.360 nan 0.000 0.449 509 L N 1.207 122.260 121.223 -0.283 0.000 2.042 509 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 509 L C 2.374 179.017 176.870 -0.378 0.000 1.076 509 L CA 1.484 56.092 54.840 -0.387 0.000 0.749 509 L CB -0.475 41.361 42.059 -0.372 0.000 0.893 509 L HN 0.030 nan 8.230 nan 0.000 0.432 510 I N 0.081 120.374 120.570 -0.462 0.000 2.286 510 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 510 I C 2.128 177.919 176.117 -0.544 0.000 1.115 510 I CA 1.097 62.015 61.300 -0.637 0.000 1.392 510 I CB -1.567 35.737 38.000 -1.161 0.000 1.065 510 I HN 0.401 nan 8.210 nan 0.000 0.418 511 N N 1.241 119.670 118.700 -0.453 0.000 2.188 511 N HA -0.151 4.589 4.740 -0.000 0.000 0.184 511 N C 1.804 177.195 175.510 -0.198 0.000 1.018 511 N CA 1.048 53.909 53.050 -0.314 0.000 0.858 511 N CB -0.146 38.194 38.487 -0.245 0.000 0.989 511 N HN 0.406 nan 8.380 nan 0.000 0.426 512 K N 0.351 120.656 120.400 -0.159 0.000 2.057 512 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 512 K C 1.786 178.397 176.600 0.017 0.000 1.050 512 K CA 0.647 56.915 56.287 -0.030 0.000 0.935 512 K CB 0.020 32.542 32.500 0.037 0.000 0.715 512 K HN 0.030 nan 8.250 nan 0.000 0.439 513 I N 1.569 122.058 120.570 -0.135 0.000 2.163 513 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 513 I C 2.158 178.184 176.117 -0.152 0.000 1.085 513 I CA 1.564 62.739 61.300 -0.208 0.000 1.347 513 I CB -1.240 36.551 38.000 -0.350 0.000 1.044 513 I HN 0.178 nan 8.210 nan 0.000 0.408 514 L N -0.123 120.983 121.223 -0.196 0.000 2.017 514 L HA -0.278 4.062 4.340 -0.000 0.000 0.208 514 L C 2.794 179.601 176.870 -0.105 0.000 1.073 514 L CA 1.562 56.302 54.840 -0.166 0.000 0.745 514 L CB -1.038 40.888 42.059 -0.220 0.000 0.894 514 L HN 0.265 nan 8.230 nan 0.000 0.432 515 Q N -0.097 119.651 119.800 -0.087 0.000 2.077 515 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 515 Q C 2.431 178.418 176.000 -0.021 0.000 0.989 515 Q CA 2.222 57.997 55.803 -0.047 0.000 0.853 515 Q CB -0.459 28.257 28.738 -0.037 0.000 0.907 515 Q HN 0.698 nan 8.270 nan 0.000 0.418 516 S N -0.104 115.599 115.700 0.005 0.000 2.447 516 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 516 S C 1.979 176.565 174.600 -0.024 0.000 1.006 516 S CA 1.036 59.252 58.200 0.026 0.000 0.957 516 S CB -0.392 62.870 63.200 0.104 0.000 0.773 516 S HN 0.614 nan 8.310 nan 0.000 0.507 517 S N 1.707 117.373 115.700 -0.057 0.000 2.406 517 S HA -0.095 4.374 4.470 -0.000 0.000 0.228 517 S C 2.112 176.661 174.600 -0.085 0.000 1.020 517 S CA 1.501 59.650 58.200 -0.085 0.000 0.965 517 S CB -0.377 62.773 63.200 -0.085 0.000 0.798 517 S HN 0.612 nan 8.310 nan 0.000 0.488 518 K N 0.572 120.935 120.400 -0.061 0.000 2.103 518 K HA -0.016 4.304 4.320 -0.000 0.000 0.204 518 K C 2.221 178.796 176.600 -0.043 0.000 1.052 518 K CA 1.851 58.105 56.287 -0.054 0.000 0.945 518 K CB -1.786 30.693 32.500 -0.034 0.000 0.722 518 K HN 0.794 nan 8.250 nan 0.000 0.443 519 T N -2.161 112.384 114.554 -0.015 0.000 3.044 519 T HA -0.064 4.286 4.350 -0.000 0.000 0.255 519 T C 2.221 176.947 174.700 0.043 0.000 1.073 519 T CA 1.450 63.561 62.100 0.018 0.000 1.125 519 T CB -0.124 68.765 68.868 0.035 0.000 0.908 519 T HN 0.501 nan 8.240 nan 0.000 0.480 520 S N 1.645 117.361 115.700 0.027 0.000 2.522 520 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 520 S C 1.148 175.747 174.600 -0.002 0.000 0.986 520 S CA 0.324 58.558 58.200 0.057 0.000 0.929 520 S CB -0.876 62.318 63.200 -0.010 0.000 0.769 520 S HN 0.535 nan 8.310 nan 0.000 0.529 521 N N 1.502 120.131 118.700 -0.119 0.000 2.693 521 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 521 N C -1.149 174.204 175.510 -0.262 0.000 1.119 521 N CA 1.028 53.893 53.050 -0.308 0.000 0.717 521 N CB -1.250 36.803 38.487 -0.722 0.000 1.071 521 N HN 0.735 nan 8.380 nan 0.000 0.555 522 E N 0.948 121.022 120.200 -0.211 0.000 2.055 522 E HA 0.239 4.589 4.350 -0.000 0.000 0.274 522 E C -2.341 174.153 176.600 -0.176 0.000 0.949 522 E CA -1.585 54.636 56.400 -0.299 0.000 0.775 522 E CB 1.078 30.402 29.700 -0.627 0.000 1.097 522 E HN 0.122 nan 8.360 nan 0.000 0.404 523 P HA 0.127 nan 4.420 nan 0.000 0.281 523 P C -0.573 176.660 177.300 -0.112 0.000 1.252 523 P CA -0.212 62.702 63.100 -0.311 0.000 0.778 523 P CB 1.211 32.407 31.700 -0.840 0.000 0.895 524 V N 4.419 124.296 119.914 -0.063 0.000 2.914 524 V HA 0.525 4.645 4.120 -0.000 0.000 0.314 524 V C -0.898 175.373 176.094 0.294 0.000 1.084 524 V CA -0.595 61.781 62.300 0.127 0.000 0.963 524 V CB 2.817 34.677 31.823 0.062 0.000 1.025 524 V HN 0.637 nan 8.190 nan 0.000 0.432 525 W N 3.422 124.802 121.300 0.134 0.000 2.883 525 W HA 0.382 5.042 4.660 -0.000 0.000 0.335 525 W C -1.575 175.000 176.519 0.093 0.000 1.083 525 W CA -0.898 56.546 57.345 0.164 0.000 1.233 525 W CB 2.022 31.613 29.460 0.219 0.000 1.412 525 W HN 0.705 nan 8.180 nan 0.000 0.490 526 W N 7.176 128.221 121.300 -0.424 0.000 2.311 526 W HA 0.497 5.157 4.660 -0.000 0.000 0.310 526 W C -1.323 175.053 176.519 -0.239 0.000 1.274 526 W CA -0.637 56.488 57.345 -0.367 0.000 1.215 526 W CB 0.197 29.414 29.460 -0.405 0.000 1.227 526 W HN 0.157 nan 8.180 nan 0.000 0.523 527 L N 9.035 130.091 121.223 -0.278 0.000 2.354 527 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 527 L C -1.827 174.767 176.870 -0.460 0.000 1.005 527 L CA -2.218 52.350 54.840 -0.453 0.000 0.819 527 L CB 2.476 44.117 42.059 -0.696 0.000 1.311 527 L HN 0.262 nan 8.230 nan 0.000 0.423 528 P HA 0.300 nan 4.420 nan 0.000 0.284 528 P C -0.885 176.541 177.300 0.211 0.000 1.258 528 P CA -0.363 62.663 63.100 -0.125 0.000 0.824 528 P CB 1.369 32.968 31.700 -0.168 0.000 1.038 529 I N 2.998 123.714 120.570 0.242 0.000 2.287 529 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 529 I C 0.550 176.728 176.117 0.102 0.000 1.069 529 I CA -0.563 60.905 61.300 0.281 0.000 1.237 529 I CB 0.185 38.393 38.000 0.347 0.000 1.418 529 I HN 0.104 nan 8.210 nan 0.000 0.481 530 I N 6.640 127.205 120.570 -0.009 0.000 2.322 530 I HA 0.097 4.267 4.170 -0.000 0.000 0.292 530 I C 1.292 177.260 176.117 -0.248 0.000 1.060 530 I CA -0.087 61.063 61.300 -0.250 0.000 1.309 530 I CB 0.432 38.037 38.000 -0.658 0.000 1.415 530 I HN 0.576 nan 8.210 nan 0.000 0.492 531 N N 4.398 123.018 118.700 -0.133 0.000 2.354 531 N HA -0.152 4.588 4.740 -0.000 0.000 0.179 531 N C 1.557 177.036 175.510 -0.052 0.000 1.021 531 N CA 0.721 53.744 53.050 -0.045 0.000 0.887 531 N CB 0.141 38.625 38.487 -0.006 0.000 0.974 531 N HN 0.615 nan 8.380 nan 0.000 0.437 532 E N 0.349 120.472 120.200 -0.130 0.000 2.273 532 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 532 E C 0.863 177.534 176.600 0.118 0.000 1.002 532 E CA 1.067 57.441 56.400 -0.044 0.000 0.828 532 E CB -0.032 29.628 29.700 -0.066 0.000 0.747 532 E HN 0.579 nan 8.360 nan 0.000 0.491 533 Y N -1.411 118.921 120.300 0.053 0.000 2.523 533 Y HA 0.025 4.575 4.550 -0.000 0.000 0.279 533 Y C 2.245 178.179 175.900 0.057 0.000 1.139 533 Y CA -0.244 57.888 58.100 0.054 0.000 1.296 533 Y CB 0.183 38.681 38.460 0.064 0.000 1.045 533 Y HN -0.036 nan 8.280 nan 0.000 0.538 534 R N 2.069 122.682 120.500 0.189 0.000 2.139 534 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 534 R C 2.089 178.455 176.300 0.110 0.000 1.145 534 R CA 1.537 57.717 56.100 0.133 0.000 0.976 534 R CB -0.833 29.517 30.300 0.083 0.000 0.866 534 R HN 0.270 nan 8.270 nan 0.000 0.449 535 A N -0.689 122.192 122.820 0.101 0.000 2.070 535 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 535 A C 2.074 179.701 177.584 0.071 0.000 1.159 535 A CA 1.936 54.017 52.037 0.073 0.000 0.656 535 A CB -1.018 18.020 19.000 0.063 0.000 0.800 535 A HN 0.632 nan 8.150 nan 0.000 0.453 536 T N -2.448 112.159 114.554 0.089 0.000 3.055 536 T HA 0.116 4.466 4.350 -0.000 0.000 0.265 536 T C 1.494 176.236 174.700 0.070 0.000 1.111 536 T CA 0.854 62.993 62.100 0.065 0.000 1.118 536 T CB -0.403 68.494 68.868 0.049 0.000 0.909 536 T HN 0.328 nan 8.240 nan 0.000 0.501 537 L N 0.795 122.076 121.223 0.097 0.000 2.610 537 L HA 0.190 4.530 4.340 -0.000 0.000 0.232 537 L C 0.271 177.199 176.870 0.097 0.000 1.149 537 L CA -0.136 54.775 54.840 0.118 0.000 0.872 537 L CB -0.550 41.611 42.059 0.170 0.000 0.992 537 L HN 0.190 nan 8.230 nan 0.000 0.447 538 N N 1.132 119.872 118.700 0.067 0.000 2.406 538 N HA -0.014 4.726 4.740 -0.000 0.000 0.265 538 N C 0.029 175.562 175.510 0.039 0.000 1.203 538 N CA 0.281 53.358 53.050 0.045 0.000 0.945 538 N CB 0.809 39.312 38.487 0.027 0.000 1.165 538 N HN -0.053 nan 8.380 nan 0.000 0.485 539 S N 1.418 117.148 115.700 0.050 0.000 2.565 539 S HA 0.120 4.590 4.470 -0.000 0.000 0.274 539 S C 1.404 176.004 174.600 0.001 0.000 1.309 539 S CA -0.546 57.685 58.200 0.052 0.000 1.043 539 S CB 0.969 64.224 63.200 0.093 0.000 0.939 539 S HN 0.478 nan 8.310 nan 0.000 0.504 540 K N 3.272 123.650 120.400 -0.037 0.000 2.057 540 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 540 K C 0.740 177.127 176.600 -0.355 0.000 1.049 540 K CA 2.055 58.206 56.287 -0.227 0.000 0.931 540 K CB -0.324 31.993 32.500 -0.305 0.000 0.714 540 K HN 0.794 nan 8.250 nan 0.000 0.440 541 Y N -1.481 118.833 120.300 0.023 0.000 2.664 541 Y HA 0.464 5.014 4.550 -0.000 0.000 0.278 541 Y C 0.831 176.748 175.900 0.028 0.000 1.130 541 Y CA 0.070 58.183 58.100 0.022 0.000 1.260 541 Y CB -0.002 38.470 38.460 0.019 0.000 1.369 541 Y HN 0.022 nan 8.280 nan 0.000 0.499 542 A N 0.046 122.978 122.820 0.186 0.000 2.239 542 A HA 0.268 4.588 4.320 -0.000 0.000 0.303 542 A C 0.614 178.252 177.584 0.090 0.000 1.114 542 A CA -0.054 52.063 52.037 0.132 0.000 0.871 542 A CB 0.142 19.226 19.000 0.139 0.000 1.201 542 A HN 0.221 nan 8.150 nan 0.000 0.506 543 D N -0.805 119.643 120.400 0.080 0.000 2.149 543 D HA 0.062 4.702 4.640 -0.000 0.000 0.201 543 D C 0.299 176.632 176.300 0.056 0.000 0.972 543 D CA 1.578 55.606 54.000 0.048 0.000 0.835 543 D CB 0.110 40.927 40.800 0.028 0.000 0.966 543 D HN 0.412 nan 8.370 nan 0.000 0.476 544 I N -0.100 120.535 120.570 0.108 0.000 2.894 544 I HA 0.156 4.326 4.170 -0.000 0.000 0.302 544 I C -1.323 174.919 176.117 0.207 0.000 1.188 544 I CA -0.815 60.576 61.300 0.151 0.000 1.014 544 I CB 2.054 40.158 38.000 0.172 0.000 1.242 544 I HN -0.316 nan 8.210 nan 0.000 0.430 545 N N 5.143 123.957 118.700 0.189 0.000 2.514 545 N HA 0.107 4.847 4.740 -0.000 0.000 0.277 545 N C 0.344 175.962 175.510 0.180 0.000 1.126 545 N CA -0.116 53.028 53.050 0.157 0.000 0.978 545 N CB 1.662 40.207 38.487 0.098 0.000 1.106 545 N HN 0.670 nan 8.380 nan 0.000 0.461 546 Q N 1.987 121.800 119.800 0.022 0.000 2.084 546 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 546 Q C 0.326 176.136 176.000 -0.318 0.000 0.978 546 Q CA 1.263 56.866 55.803 -0.334 0.000 0.844 546 Q CB 0.174 28.782 28.738 -0.217 0.000 0.898 546 Q HN 0.751 nan 8.270 nan 0.000 0.426 547 I N -3.408 117.091 120.570 -0.119 0.000 3.002 547 I HA 0.489 4.659 4.170 -0.000 0.000 0.310 547 I C -0.245 175.863 176.117 -0.014 0.000 1.087 547 I CA -1.194 60.060 61.300 -0.077 0.000 1.017 547 I CB 1.972 39.932 38.000 -0.068 0.000 1.226 547 I HN -0.232 nan 8.210 nan 0.000 0.443 548 S N 0.673 116.370 115.700 -0.005 0.000 2.617 548 S HA 0.329 4.799 4.470 -0.000 0.000 0.269 548 S C 0.914 175.505 174.600 -0.014 0.000 1.292 548 S CA 0.085 58.285 58.200 0.000 0.000 1.010 548 S CB 0.911 64.102 63.200 -0.014 0.000 0.944 548 S HN 0.854 nan 8.310 nan 0.000 0.536 549 S N 1.510 117.203 115.700 -0.012 0.000 2.505 549 S HA 0.060 4.530 4.470 -0.000 0.000 0.216 549 S C 1.606 176.189 174.600 -0.029 0.000 1.018 549 S CA 0.456 58.645 58.200 -0.019 0.000 0.911 549 S CB -0.261 62.933 63.200 -0.010 0.000 0.818 549 S HN 0.702 nan 8.310 nan 0.000 0.497 550 S N 1.763 117.443 115.700 -0.034 0.000 2.324 550 S HA 0.214 4.684 4.470 -0.000 0.000 0.210 550 S C 0.667 175.215 174.600 -0.086 0.000 1.027 550 S CA 0.218 58.388 58.200 -0.051 0.000 0.945 550 S CB -1.101 62.074 63.200 -0.042 0.000 0.908 550 S HN 0.246 nan 8.310 nan 0.000 0.496 551 V N 3.663 123.503 119.914 -0.122 0.000 2.458 551 V HA 0.118 4.238 4.120 -0.000 0.000 0.287 551 V C 1.084 177.080 176.094 -0.163 0.000 1.009 551 V CA 0.299 62.467 62.300 -0.221 0.000 1.091 551 V CB 0.402 31.996 31.823 -0.380 0.000 0.960 551 V HN 0.457 nan 8.190 nan 0.000 0.476 552 K N 3.595 123.905 120.400 -0.151 0.000 2.525 552 K HA 0.170 4.489 4.320 -0.000 0.000 0.192 552 K C 1.303 177.860 176.600 -0.072 0.000 1.029 552 K CA 0.563 56.791 56.287 -0.099 0.000 1.029 552 K CB 0.187 32.630 32.500 -0.094 0.000 0.814 552 K HN 0.789 nan 8.250 nan 0.000 0.503 553 A N 0.989 123.748 122.820 -0.101 0.000 3.074 553 A HA 0.070 4.390 4.320 -0.000 0.000 0.251 553 A C 1.272 178.887 177.584 0.051 0.000 1.695 553 A CA 0.058 52.093 52.037 -0.003 0.000 1.343 553 A CB -0.462 18.548 19.000 0.016 0.000 1.078 553 A HN 0.109 nan 8.150 nan 0.000 0.644 554 S N 0.246 115.967 115.700 0.036 0.000 2.393 554 S HA -0.208 4.262 4.470 -0.000 0.000 0.234 554 S C 2.362 176.996 174.600 0.056 0.000 1.064 554 S CA 2.415 60.639 58.200 0.041 0.000 1.088 554 S CB -0.075 63.153 63.200 0.047 0.000 0.939 554 S HN 0.801 nan 8.310 nan 0.000 0.448 555 S N 0.663 116.418 115.700 0.093 0.000 2.387 555 S HA 0.112 4.582 4.470 -0.000 0.000 0.226 555 S C 1.754 176.265 174.600 -0.149 0.000 1.026 555 S CA 0.838 59.062 58.200 0.040 0.000 0.972 555 S CB -0.267 63.053 63.200 0.200 0.000 0.814 555 S HN 0.458 nan 8.310 nan 0.000 0.477 556 I N 1.238 121.857 120.570 0.082 0.000 2.202 556 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 556 I C 2.196 178.399 176.117 0.144 0.000 1.091 556 I CA 0.834 62.235 61.300 0.169 0.000 1.368 556 I CB -0.522 37.719 38.000 0.403 0.000 1.058 556 I HN 0.128 nan 8.210 nan 0.000 0.410 557 V N 1.210 121.215 119.914 0.151 0.000 2.287 557 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 557 V C 2.751 178.919 176.094 0.124 0.000 1.053 557 V CA 2.164 64.551 62.300 0.145 0.000 1.027 557 V CB -1.108 30.769 31.823 0.090 0.000 0.646 557 V HN 0.514 nan 8.190 nan 0.000 0.447 558 A N -0.431 122.420 122.820 0.051 0.000 1.902 558 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 558 A C 2.477 180.094 177.584 0.054 0.000 1.181 558 A CA 2.226 54.289 52.037 0.044 0.000 0.623 558 A CB -0.749 18.241 19.000 -0.016 0.000 0.818 558 A HN 0.519 nan 8.150 nan 0.000 0.443 559 S N -0.005 115.657 115.700 -0.062 0.000 2.359 559 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 559 S C 1.831 176.585 174.600 0.258 0.000 1.039 559 S CA 1.612 59.845 58.200 0.054 0.000 1.042 559 S CB -0.565 62.568 63.200 -0.112 0.000 0.915 559 S HN 0.508 nan 8.310 nan 0.000 0.439 560 L N -0.062 121.292 121.223 0.219 0.000 2.043 560 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 560 L C 2.210 179.191 176.870 0.185 0.000 1.075 560 L CA 1.584 56.550 54.840 0.210 0.000 0.752 560 L CB -0.451 41.730 42.059 0.204 0.000 0.891 560 L HN 0.295 nan 8.230 nan 0.000 0.432 561 F N 0.295 120.300 119.950 0.091 0.000 2.075 561 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 561 F C 2.272 178.172 175.800 0.166 0.000 1.113 561 F CA 1.557 59.631 58.000 0.123 0.000 1.218 561 F CB -0.117 38.942 39.000 0.098 0.000 0.984 561 F HN -0.139 nan 8.300 nan 0.000 0.472 562 L N 0.461 121.765 121.223 0.136 0.000 2.081 562 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 562 L C 2.511 179.132 176.870 -0.414 0.000 1.080 562 L CA 1.917 56.721 54.840 -0.059 0.000 0.754 562 L CB -0.832 41.283 42.059 0.094 0.000 0.893 562 L HN 0.191 nan 8.230 nan 0.000 0.433 563 K N 0.051 120.233 120.400 -0.364 0.000 2.152 563 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 563 K C 1.920 178.283 176.600 -0.395 0.000 1.048 563 K CA 1.100 57.089 56.287 -0.496 0.000 0.933 563 K CB 0.108 32.602 32.500 -0.010 0.000 0.721 563 K HN 0.217 nan 8.250 nan 0.000 0.447 564 E N -0.256 119.729 120.200 -0.358 0.000 2.333 564 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 564 E C 1.000 177.145 176.600 -0.758 0.000 1.007 564 E CA 0.991 57.065 56.400 -0.544 0.000 0.845 564 E CB -0.029 29.218 29.700 -0.756 0.000 0.766 564 E HN 0.388 nan 8.360 nan 0.000 0.507 565 F N -0.340 119.346 119.950 -0.439 0.000 2.664 565 F HA 0.119 4.646 4.527 -0.000 0.000 0.303 565 F C 0.387 175.980 175.800 -0.345 0.000 1.092 565 F CA -0.097 57.688 58.000 -0.359 0.000 1.305 565 F CB 0.840 39.634 39.000 -0.344 0.000 1.054 565 F HN -0.321 nan 8.300 nan 0.000 0.565 566 V N 0.700 120.420 119.914 -0.325 0.000 2.409 566 V HA 0.188 4.308 4.120 -0.000 0.000 0.290 566 V C 0.189 176.177 176.094 -0.177 0.000 1.017 566 V CA -0.581 61.564 62.300 -0.258 0.000 0.841 566 V CB 1.577 33.172 31.823 -0.381 0.000 1.003 566 V HN 0.187 nan 8.190 nan 0.000 0.426 567 Q N 2.227 121.959 119.800 -0.114 0.000 2.297 567 Q HA 0.232 4.572 4.340 -0.000 0.000 0.203 567 Q C 0.439 176.418 176.000 -0.034 0.000 0.931 567 Q CA 0.546 56.297 55.803 -0.086 0.000 0.885 567 Q CB 0.464 29.152 28.738 -0.084 0.000 0.991 567 Q HN 0.676 nan 8.270 nan 0.000 0.498 568 N N 0.159 118.853 118.700 -0.010 0.000 2.527 568 N HA 0.166 4.905 4.740 -0.000 0.000 0.279 568 N C -1.440 174.099 175.510 0.048 0.000 1.571 568 N CA 0.188 53.248 53.050 0.018 0.000 0.858 568 N CB 1.822 40.311 38.487 0.002 0.000 1.422 568 N HN -0.060 nan 8.380 nan 0.000 0.491 569 T N -0.103 114.501 114.554 0.085 0.000 2.956 569 T HA 0.524 4.874 4.350 -0.000 0.000 0.312 569 T C -0.483 174.350 174.700 0.222 0.000 1.151 569 T CA -0.534 61.645 62.100 0.133 0.000 1.024 569 T CB 2.335 71.272 68.868 0.116 0.000 1.140 569 T HN 0.171 nan 8.240 nan 0.000 0.473 570 A N 2.230 125.208 122.820 0.264 0.000 2.488 570 A HA 0.536 4.856 4.320 -0.000 0.000 0.249 570 A C -0.834 176.974 177.584 0.373 0.000 1.083 570 A CA -0.092 52.129 52.037 0.307 0.000 0.768 570 A CB -0.201 19.024 19.000 0.376 0.000 1.017 570 A HN 0.849 nan 8.150 nan 0.000 0.496 571 W N 2.287 123.647 121.300 0.100 0.000 3.274 571 W HA 0.603 5.263 4.660 -0.000 0.000 0.327 571 W C -0.720 175.839 176.519 0.067 0.000 1.172 571 W CA -0.001 57.398 57.345 0.089 0.000 1.217 571 W CB 1.142 30.659 29.460 0.095 0.000 1.376 571 W HN 0.945 nan 8.180 nan 0.000 0.507 572 A N 3.663 126.057 122.820 -0.709 0.000 2.423 572 A HA 0.743 5.062 4.320 -0.000 0.000 0.304 572 A C -2.104 174.986 177.584 -0.823 0.000 1.104 572 A CA -0.696 50.842 52.037 -0.833 0.000 0.757 572 A CB 1.630 20.339 19.000 -0.485 0.000 1.313 572 A HN 1.010 nan 8.150 nan 0.000 0.423 573 H N 0.140 118.822 119.070 -0.646 0.000 2.840 573 H HA 0.661 5.217 4.556 -0.000 0.000 0.340 573 H C -1.818 173.512 175.328 0.003 0.000 1.004 573 H CA -0.591 55.313 56.048 -0.240 0.000 1.288 573 H CB 0.776 30.460 29.762 -0.130 0.000 1.607 573 H HN 0.460 nan 8.280 nan 0.000 0.522 574 I N 4.504 124.921 120.570 -0.256 0.000 2.328 574 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 574 I C -0.265 175.699 176.117 -0.254 0.000 1.012 574 I CA -0.605 60.569 61.300 -0.210 0.000 1.195 574 I CB 1.130 39.090 38.000 -0.065 0.000 1.350 574 I HN 0.605 nan 8.210 nan 0.000 0.464 575 D N 7.629 127.874 120.400 -0.258 0.000 2.339 575 D HA 0.214 4.854 4.640 -0.000 0.000 0.241 575 D C 0.639 176.926 176.300 -0.023 0.000 1.183 575 D CA -0.190 53.758 54.000 -0.087 0.000 0.859 575 D CB 1.079 41.913 40.800 0.057 0.000 1.067 575 D HN 0.582 nan 8.370 nan 0.000 0.484 576 I N 0.961 121.508 120.570 -0.040 0.000 3.914 576 I HA 0.325 4.495 4.170 -0.000 0.000 0.333 576 I C 1.612 177.697 176.117 -0.052 0.000 1.449 576 I CA -0.567 60.664 61.300 -0.114 0.000 1.135 576 I CB 0.522 38.454 38.000 -0.113 0.000 1.073 576 I HN 0.199 nan 8.210 nan 0.000 0.401 577 A N 2.150 124.980 122.820 0.018 0.000 1.903 577 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 577 A C 2.279 180.015 177.584 0.253 0.000 1.191 577 A CA 2.371 54.478 52.037 0.117 0.000 0.638 577 A CB -1.361 17.720 19.000 0.136 0.000 0.823 577 A HN 0.584 nan 8.150 nan 0.000 0.451 578 G N -1.326 107.567 108.800 0.156 0.000 2.551 578 G HA2 0.138 4.098 3.960 -0.000 0.000 0.216 578 G HA3 0.138 4.098 3.960 -0.000 0.000 0.216 578 G C 1.286 176.294 174.900 0.179 0.000 1.137 578 G CA 1.267 46.477 45.100 0.184 0.000 0.798 578 G HN 1.088 nan 8.290 nan 0.000 0.536 579 V N -2.098 117.817 119.914 0.002 0.000 3.660 579 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 579 V C 2.305 178.376 176.094 -0.038 0.000 1.317 579 V CA 1.300 63.528 62.300 -0.120 0.000 1.097 579 V CB 0.388 31.851 31.823 -0.600 0.000 0.863 579 V HN 0.236 nan 8.190 nan 0.000 0.438 580 S N -0.294 115.465 115.700 0.098 0.000 2.371 580 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 580 S C 0.666 175.448 174.600 0.304 0.000 1.029 580 S CA 0.299 58.621 58.200 0.202 0.000 0.978 580 S CB -0.190 63.117 63.200 0.179 0.000 0.833 580 S HN 0.804 nan 8.310 nan 0.000 0.466 581 W N 2.903 124.224 121.300 0.035 0.000 2.417 581 W HA 0.434 5.094 4.660 -0.000 0.000 0.317 581 W C -0.608 175.670 176.519 -0.402 0.000 1.121 581 W CA -0.928 56.244 57.345 -0.287 0.000 1.208 581 W CB 0.862 29.845 29.460 -0.794 0.000 1.253 581 W HN 0.162 nan 8.180 nan 0.000 0.533 582 N N 5.311 123.583 118.700 -0.715 0.000 2.469 582 N HA 0.063 4.803 4.740 -0.000 0.000 0.239 582 N C 0.478 175.733 175.510 -0.425 0.000 1.053 582 N CA -0.092 52.724 53.050 -0.389 0.000 0.937 582 N CB -0.048 38.282 38.487 -0.261 0.000 1.163 582 N HN 0.273 nan 8.380 nan 0.000 0.509 583 F N 2.732 122.703 119.950 0.035 0.000 2.134 583 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 583 F C 2.546 178.389 175.800 0.072 0.000 1.097 583 F CA 1.900 59.998 58.000 0.163 0.000 1.264 583 F CB -0.611 38.491 39.000 0.169 0.000 1.001 583 F HN 0.531 nan 8.300 nan 0.000 0.479 584 K N 0.509 121.036 120.400 0.210 0.000 2.057 584 K HA 0.078 4.398 4.320 -0.000 0.000 0.207 584 K C 2.159 178.792 176.600 0.055 0.000 1.049 584 K CA 1.409 57.766 56.287 0.117 0.000 0.931 584 K CB -1.626 30.929 32.500 0.093 0.000 0.714 584 K HN 0.345 nan 8.250 nan 0.000 0.440 585 A N -0.109 122.707 122.820 -0.007 0.000 2.067 585 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 585 A C 1.129 178.657 177.584 -0.093 0.000 1.156 585 A CA 0.965 52.971 52.037 -0.053 0.000 0.683 585 A CB -0.044 18.908 19.000 -0.080 0.000 0.808 585 A HN 0.624 nan 8.150 nan 0.000 0.455 586 R N -1.242 119.184 120.500 -0.123 0.000 3.423 586 R HA -0.173 4.167 4.340 -0.000 0.000 0.271 586 R C -0.434 175.684 176.300 -0.303 0.000 1.093 586 R CA 1.348 57.439 56.100 -0.015 0.000 0.730 586 R CB -2.370 28.006 30.300 0.127 0.000 1.190 586 R HN 0.843 nan 8.270 nan 0.000 0.437 587 K N -2.505 117.297 120.400 -0.996 0.000 2.548 587 K HA 0.636 4.956 4.320 -0.000 0.000 0.282 587 K C -3.235 172.471 176.600 -1.490 0.000 1.006 587 K CA -2.487 53.134 56.287 -1.109 0.000 0.892 587 K CB 2.325 34.577 32.500 -0.415 0.000 1.499 587 K HN -0.288 nan 8.250 nan 0.000 0.433 588 P HA 0.123 nan 4.420 nan 0.000 0.272 588 P C -0.388 176.857 177.300 -0.092 0.000 1.230 588 P CA -0.488 62.425 63.100 -0.310 0.000 0.788 588 P CB 0.600 32.295 31.700 -0.009 0.000 0.949 589 K N 1.027 121.422 120.400 -0.008 0.000 2.323 589 K HA 0.125 4.445 4.320 -0.000 0.000 0.197 589 K C 0.999 177.534 176.600 -0.109 0.000 1.043 589 K CA 0.648 56.940 56.287 0.008 0.000 0.997 589 K CB -0.310 32.249 32.500 0.099 0.000 0.807 589 K HN 0.830 nan 8.250 nan 0.000 0.497 590 G N 2.813 111.610 108.800 -0.006 0.000 2.314 590 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.292 590 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.292 590 G C -0.237 174.643 174.900 -0.034 0.000 1.059 590 G CA -0.091 44.979 45.100 -0.049 0.000 0.982 590 G HN 0.332 nan 8.290 nan 0.000 0.505 591 F N 0.441 120.348 119.950 -0.071 0.000 2.495 591 F HA 0.454 4.981 4.527 -0.000 0.000 0.365 591 F C 1.500 177.272 175.800 -0.047 0.000 1.090 591 F CA 1.570 59.539 58.000 -0.052 0.000 1.235 591 F CB 0.915 39.910 39.000 -0.007 0.000 1.119 591 F HN 0.876 nan 8.300 nan 0.000 0.562 592 G N 3.178 111.704 108.800 -0.456 0.000 2.307 592 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.210 592 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.210 592 G C 0.803 175.586 174.900 -0.196 0.000 1.005 592 G CA -0.010 44.953 45.100 -0.229 0.000 0.634 592 G HN 0.652 nan 8.290 nan 0.000 0.496 593 V N 1.649 121.455 119.914 -0.180 0.000 2.231 593 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 593 V C 2.870 178.804 176.094 -0.267 0.000 1.054 593 V CA 3.032 65.236 62.300 -0.159 0.000 1.015 593 V CB -0.701 31.036 31.823 -0.144 0.000 0.638 593 V HN 0.509 nan 8.190 nan 0.000 0.444 594 R N -0.559 119.730 120.500 -0.352 0.000 2.081 594 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 594 R C 2.223 178.358 176.300 -0.276 0.000 1.131 594 R CA 1.620 57.436 56.100 -0.472 0.000 0.960 594 R CB -0.635 29.509 30.300 -0.260 0.000 0.856 594 R HN 0.426 nan 8.270 nan 0.000 0.436 595 L N 1.173 122.259 121.223 -0.229 0.000 1.970 595 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 595 L C 1.968 178.811 176.870 -0.046 0.000 1.071 595 L CA 1.765 56.517 54.840 -0.147 0.000 0.751 595 L CB -0.490 41.438 42.059 -0.218 0.000 0.889 595 L HN 0.130 nan 8.230 nan 0.000 0.432 596 L N -1.067 120.127 121.223 -0.049 0.000 2.079 596 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 596 L C 2.315 179.263 176.870 0.130 0.000 1.081 596 L CA 1.750 56.630 54.840 0.066 0.000 0.752 596 L CB -1.086 41.009 42.059 0.061 0.000 0.896 596 L HN 0.365 nan 8.230 nan 0.000 0.433 597 T N -1.388 113.160 114.554 -0.011 0.000 2.732 597 T HA -0.112 4.238 4.350 -0.000 0.000 0.261 597 T C 1.776 176.517 174.700 0.067 0.000 1.040 597 T CA 0.787 62.877 62.100 -0.017 0.000 1.145 597 T CB -0.102 68.617 68.868 -0.248 0.000 0.866 597 T HN 0.239 nan 8.240 nan 0.000 0.427 598 E N 0.857 121.098 120.200 0.069 0.000 2.147 598 E HA -0.145 4.205 4.350 -0.000 0.000 0.199 598 E C 1.844 178.511 176.600 0.112 0.000 1.005 598 E CA 0.993 57.469 56.400 0.128 0.000 0.810 598 E CB -0.443 29.325 29.700 0.112 0.000 0.736 598 E HN 0.524 nan 8.360 nan 0.000 0.460 599 F N 1.483 121.422 119.950 -0.018 0.000 2.102 599 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 599 F C 2.307 178.111 175.800 0.007 0.000 1.105 599 F CA 1.672 59.657 58.000 -0.026 0.000 1.239 599 F CB -0.423 38.549 39.000 -0.047 0.000 0.991 599 F HN -0.078 nan 8.300 nan 0.000 0.474 600 V N -1.303 118.544 119.914 -0.112 0.000 2.427 600 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 600 V C 2.126 178.141 176.094 -0.132 0.000 1.051 600 V CA 1.415 63.604 62.300 -0.184 0.000 1.048 600 V CB -1.344 30.477 31.823 -0.003 0.000 0.666 600 V HN 0.298 nan 8.190 nan 0.000 0.456 601 L N 1.796 122.991 121.223 -0.047 0.000 2.633 601 L HA 0.117 4.457 4.340 -0.000 0.000 0.235 601 L C 2.471 179.316 176.870 -0.041 0.000 1.163 601 L CA 1.753 56.585 54.840 -0.014 0.000 0.859 601 L CB -1.885 40.206 42.059 0.054 0.000 0.973 601 L HN 0.716 nan 8.230 nan 0.000 0.451 602 N N -1.504 117.134 118.700 -0.103 0.000 2.510 602 N HA 0.167 4.907 4.740 -0.000 0.000 0.186 602 N C 0.870 176.306 175.510 -0.122 0.000 1.051 602 N CA 0.724 53.716 53.050 -0.096 0.000 0.877 602 N CB -0.353 38.086 38.487 -0.080 0.000 1.183 602 N HN 0.405 nan 8.380 nan 0.000 0.443 603 D N 0.000 120.267 120.400 -0.222 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.910 54.000 -0.151 0.000 0.868 603 D CB 0.000 40.675 40.800 -0.208 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683