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 2z1z_1_A DATA FIRST_RESID 19 DATA SEQUENCE EYKTKVSRNS NMSKLQAGYL FPEIARRRSA HLLKYPDAQV ISLGIGDTTE DATA SEQUENCE PIPEVITSAM AKKAHELSTI EGYSGYGAEQ GAKPLRAAIA KTFYGGLGIG DATA SEQUENCE DDDVFVSDGA KCDISRLQVM FGSNVTIAVQ DPSYPAYVDS SVIMGQTGQF DATA SEQUENCE NTDVQKYGNI EYMRCTPENG FFPDLSTVGR TDIIFFCSPN NPTGAAATRE DATA SEQUENCE QLTQLVEFAK KNGSIIVYDS AYAMYMSDDN PRSIFEIPGA EEVAMETASF DATA SEQUENCE SKYAGFTGVR LGWTVIPKKL LYSDGFPVAK DFNRIICTCF NGASNISQAG DATA SEQUENCE ALACLTPEGL EAMHKVIGFY KENTNIIIDT FTSLGYDVYG GKNAPYVWVH DATA SEQUENCE FPNQSSWDVF AEILEKTHVV TTPGSGFGPG GEGFVRVSAF GHRENILEAC DATA SEQUENCE RRFKQLYK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.652 176.600 0.086 0.000 1.382 19 E CA 0.000 56.440 56.400 0.066 0.000 0.976 19 E CB 0.000 29.718 29.700 0.030 0.000 0.812 20 Y N 3.232 123.532 120.300 -0.002 0.000 2.301 20 Y HA 0.664 5.217 4.550 0.005 0.000 0.325 20 Y C -0.642 175.257 175.900 -0.002 0.000 1.203 20 Y CA -0.031 58.068 58.100 -0.001 0.000 1.255 20 Y CB 1.033 39.493 38.460 -0.001 0.000 1.232 20 Y HN 0.424 nan 8.280 nan 0.000 0.501 21 K N 2.772 122.695 120.400 -0.795 0.000 2.464 21 K HA 0.332 4.655 4.320 0.004 0.000 0.253 21 K C -0.581 175.577 176.600 -0.737 0.000 0.933 21 K CA -0.848 55.151 56.287 -0.481 0.000 0.801 21 K CB 1.833 34.161 32.500 -0.287 0.000 1.271 21 K HN 0.783 nan 8.250 nan 0.000 0.430 22 T N -1.105 113.300 114.554 -0.248 0.000 2.732 22 T HA 0.204 4.556 4.350 0.004 0.000 0.287 22 T C 0.626 175.258 174.700 -0.114 0.000 0.993 22 T CA -0.298 61.746 62.100 -0.094 0.000 0.966 22 T CB 0.606 69.503 68.868 0.048 0.000 1.047 22 T HN 0.505 nan 8.240 nan 0.000 0.527 23 K N -0.138 120.235 120.400 -0.045 0.000 2.397 23 K HA 0.334 4.656 4.320 0.004 0.000 0.202 23 K C 0.237 176.825 176.600 -0.020 0.000 1.022 23 K CA -0.274 55.989 56.287 -0.039 0.000 1.141 23 K CB 0.637 33.124 32.500 -0.022 0.000 0.857 23 K HN 0.483 nan 8.250 nan 0.000 0.514 24 V N 1.196 121.103 119.914 -0.011 0.000 2.498 24 V HA 0.214 4.336 4.120 0.004 0.000 0.279 24 V C -0.281 175.806 176.094 -0.011 0.000 1.048 24 V CA -0.490 61.806 62.300 -0.005 0.000 0.967 24 V CB 1.296 33.122 31.823 0.006 0.000 0.988 24 V HN 0.187 nan 8.190 nan 0.000 0.473 25 S N 6.634 122.329 115.700 -0.009 0.000 2.548 25 S HA 0.429 4.902 4.470 0.004 0.000 0.277 25 S C 0.144 174.739 174.600 -0.007 0.000 1.315 25 S CA -0.610 57.583 58.200 -0.011 0.000 1.050 25 S CB 0.704 63.899 63.200 -0.008 0.000 0.918 25 S HN 0.980 nan 8.310 nan 0.000 0.497 26 R N 1.655 122.150 120.500 -0.009 0.000 2.697 26 R HA -0.048 4.294 4.340 0.004 0.000 0.265 26 R C 0.293 176.590 176.300 -0.005 0.000 1.009 26 R CA -0.154 55.942 56.100 -0.007 0.000 1.099 26 R CB 0.215 30.510 30.300 -0.008 0.000 0.965 26 R HN 0.675 nan 8.270 nan 0.000 0.428 27 N N 1.208 119.906 118.700 -0.005 0.000 2.440 27 N HA -0.091 4.652 4.740 0.004 0.000 0.265 27 N C 0.534 176.043 175.510 -0.002 0.000 1.239 27 N CA 0.676 53.724 53.050 -0.004 0.000 0.909 27 N CB 0.942 39.425 38.487 -0.007 0.000 1.066 27 N HN 0.592 nan 8.380 nan 0.000 0.474 28 S N 2.695 118.396 115.700 0.002 0.000 2.474 28 S HA -0.108 4.364 4.470 0.004 0.000 0.235 28 S C 1.091 175.698 174.600 0.012 0.000 0.997 28 S CA 0.877 59.083 58.200 0.008 0.000 0.949 28 S CB -0.419 62.788 63.200 0.012 0.000 0.766 28 S HN 0.734 nan 8.310 nan 0.000 0.517 29 N N 1.062 119.764 118.700 0.003 0.000 2.354 29 N HA 0.092 4.835 4.740 0.004 0.000 0.179 29 N C 1.612 177.114 175.510 -0.014 0.000 1.021 29 N CA 1.049 54.097 53.050 -0.004 0.000 0.887 29 N CB -0.222 38.256 38.487 -0.016 0.000 0.974 29 N HN 0.232 nan 8.380 nan 0.000 0.437 30 M N 0.677 120.268 119.600 -0.015 0.000 2.117 30 M HA -0.055 4.428 4.480 0.004 0.000 0.262 30 M C 1.946 178.242 176.300 -0.008 0.000 1.065 30 M CA 1.381 56.669 55.300 -0.019 0.000 1.114 30 M CB -1.140 31.449 32.600 -0.018 0.000 1.361 30 M HN 0.062 nan 8.290 nan 0.000 0.408 31 S N 0.487 116.189 115.700 0.004 0.000 2.402 31 S HA -0.093 4.379 4.470 0.004 0.000 0.229 31 S C 1.818 176.441 174.600 0.038 0.000 1.021 31 S CA 0.941 59.149 58.200 0.014 0.000 0.974 31 S CB -0.284 62.926 63.200 0.016 0.000 0.800 31 S HN 0.483 nan 8.310 nan 0.000 0.484 32 K N 0.577 121.015 120.400 0.063 0.000 2.074 32 K HA -0.056 4.266 4.320 0.004 0.000 0.209 32 K C -0.019 176.700 176.600 0.199 0.000 1.048 32 K CA 0.498 56.872 56.287 0.145 0.000 0.926 32 K CB -0.550 32.040 32.500 0.151 0.000 0.713 32 K HN 0.191 nan 8.250 nan 0.000 0.444 33 L N 2.519 123.796 121.223 0.091 0.000 2.628 33 L HA -0.109 4.234 4.340 0.004 0.000 0.274 33 L C 1.507 178.376 176.870 -0.001 0.000 1.209 33 L CA 0.801 55.682 54.840 0.070 0.000 0.930 33 L CB 0.257 42.305 42.059 -0.018 0.000 1.183 33 L HN 0.164 nan 8.230 nan 0.000 0.492 34 Q N 3.816 123.549 119.800 -0.112 0.000 2.061 34 Q HA 0.013 4.355 4.340 0.004 0.000 0.204 34 Q C 0.356 176.203 176.000 -0.255 0.000 0.984 34 Q CA 1.814 57.377 55.803 -0.399 0.000 0.846 34 Q CB 0.288 28.356 28.738 -1.117 0.000 0.902 34 Q HN 0.796 nan 8.270 nan 0.000 0.421 35 A N -2.167 120.528 122.820 -0.208 0.000 2.533 35 A HA 0.739 5.061 4.320 0.004 0.000 0.293 35 A C -0.078 177.436 177.584 -0.117 0.000 1.228 35 A CA -0.494 51.436 52.037 -0.178 0.000 0.689 35 A CB 0.306 19.166 19.000 -0.233 0.000 1.303 35 A HN 0.295 nan 8.150 nan 0.000 0.444 36 G N -1.317 107.422 108.800 -0.101 0.000 2.606 36 G HA2 0.421 4.384 3.960 0.004 0.000 0.252 36 G HA3 0.421 4.384 3.960 0.004 0.000 0.252 36 G C -0.253 174.629 174.900 -0.030 0.000 1.206 36 G CA -0.109 44.961 45.100 -0.049 0.000 0.861 36 G HN 0.802 nan 8.290 nan 0.000 0.561 37 Y N 0.998 121.218 120.300 -0.133 0.000 2.895 37 Y HA -0.045 4.508 4.550 0.004 0.000 0.334 37 Y C 1.584 177.339 175.900 -0.242 0.000 1.261 37 Y CA -0.277 57.717 58.100 -0.175 0.000 1.560 37 Y CB 0.726 39.113 38.460 -0.123 0.000 1.253 37 Y HN 0.411 nan 8.280 nan 0.000 0.582 38 L N 5.749 126.445 121.223 -0.878 0.000 2.010 38 L HA -0.315 4.028 4.340 0.004 0.000 0.219 38 L C 1.726 178.087 176.870 -0.847 0.000 1.077 38 L CA 2.125 56.386 54.840 -0.964 0.000 0.773 38 L CB -0.882 40.277 42.059 -1.500 0.000 0.892 38 L HN 0.716 nan 8.230 nan 0.000 0.436 39 F N -0.497 119.085 119.950 -0.613 0.000 2.060 39 F HA -0.041 4.489 4.527 0.004 0.000 0.295 39 F C -0.053 175.674 175.800 -0.123 0.000 1.120 39 F CA 1.348 59.159 58.000 -0.315 0.000 1.205 39 F CB -2.628 36.212 39.000 -0.268 0.000 0.986 39 F HN 0.161 nan 8.300 nan 0.000 0.470 40 P HA -0.212 nan 4.420 nan 0.000 0.215 40 P C 1.460 178.782 177.300 0.036 0.000 1.157 40 P CA 1.852 65.000 63.100 0.081 0.000 0.874 40 P CB -0.052 31.707 31.700 0.099 0.000 0.790 41 E N -0.111 120.077 120.200 -0.021 0.000 2.086 41 E HA -0.221 4.131 4.350 0.004 0.000 0.200 41 E C 1.854 178.471 176.600 0.028 0.000 1.012 41 E CA 1.547 57.930 56.400 -0.028 0.000 0.812 41 E CB -1.102 28.545 29.700 -0.088 0.000 0.743 41 E HN 0.013 nan 8.360 nan 0.000 0.453 42 I N 0.897 121.473 120.570 0.010 0.000 2.127 42 I HA -0.231 3.942 4.170 0.004 0.000 0.241 42 I C 2.439 178.659 176.117 0.171 0.000 1.075 42 I CA 1.591 62.931 61.300 0.068 0.000 1.334 42 I CB -1.855 36.156 38.000 0.019 0.000 1.040 42 I HN 0.251 nan 8.210 nan 0.000 0.405 43 A N 0.386 123.287 122.820 0.136 0.000 1.972 43 A HA -0.216 4.107 4.320 0.004 0.000 0.219 43 A C 2.531 180.189 177.584 0.124 0.000 1.169 43 A CA 1.339 53.457 52.037 0.137 0.000 0.635 43 A CB -0.593 18.477 19.000 0.115 0.000 0.810 43 A HN 0.303 nan 8.150 nan 0.000 0.446 44 R N -0.317 120.243 120.500 0.100 0.000 2.082 44 R HA -0.120 4.222 4.340 0.004 0.000 0.234 44 R C 2.330 178.702 176.300 0.119 0.000 1.136 44 R CA 1.814 57.965 56.100 0.084 0.000 0.935 44 R CB -0.354 29.974 30.300 0.047 0.000 0.842 44 R HN 0.514 nan 8.270 nan 0.000 0.430 45 R N -0.059 120.539 120.500 0.163 0.000 2.170 45 R HA -0.183 4.160 4.340 0.004 0.000 0.242 45 R C 2.306 178.754 176.300 0.246 0.000 1.145 45 R CA 2.019 58.261 56.100 0.235 0.000 0.984 45 R CB -0.155 30.379 30.300 0.389 0.000 0.869 45 R HN 0.243 nan 8.270 nan 0.000 0.455 46 R N -0.939 119.699 120.500 0.231 0.000 2.189 46 R HA 0.167 4.510 4.340 0.004 0.000 0.203 46 R C 1.775 178.190 176.300 0.193 0.000 1.012 46 R CA 1.247 57.473 56.100 0.210 0.000 1.015 46 R CB -0.266 30.146 30.300 0.186 0.000 0.938 46 R HN -0.151 nan 8.270 nan 0.000 0.472 47 S N 0.412 116.199 115.700 0.146 0.000 2.399 47 S HA -0.027 4.446 4.470 0.004 0.000 0.231 47 S C 1.858 176.516 174.600 0.096 0.000 1.022 47 S CA 1.139 59.405 58.200 0.109 0.000 0.983 47 S CB -0.213 63.036 63.200 0.082 0.000 0.803 47 S HN 0.599 nan 8.310 nan 0.000 0.480 48 A N 0.460 123.345 122.820 0.107 0.000 1.897 48 A HA -0.092 4.231 4.320 0.004 0.000 0.215 48 A C 1.793 179.422 177.584 0.075 0.000 1.181 48 A CA 1.787 53.868 52.037 0.074 0.000 0.620 48 A CB -0.924 18.122 19.000 0.076 0.000 0.821 48 A HN 0.668 nan 8.150 nan 0.000 0.443 49 H N -0.560 118.540 119.070 0.049 0.000 2.457 49 H HA 0.099 4.658 4.556 0.005 0.000 0.294 49 H C 1.526 176.898 175.328 0.073 0.000 1.064 49 H CA 1.538 57.623 56.048 0.061 0.000 1.330 49 H CB -0.131 29.712 29.762 0.135 0.000 1.395 49 H HN 0.364 nan 8.280 nan 0.000 0.541 50 L N -0.441 120.853 121.223 0.118 0.000 2.509 50 L HA 0.004 4.346 4.340 0.004 0.000 0.222 50 L C 1.783 178.652 176.870 -0.002 0.000 1.123 50 L CA 0.001 54.883 54.840 0.070 0.000 0.856 50 L CB 0.046 42.176 42.059 0.119 0.000 0.985 50 L HN 0.282 nan 8.230 nan 0.000 0.456 51 L N -0.036 121.173 121.223 -0.024 0.000 2.005 51 L HA -0.217 4.126 4.340 0.004 0.000 0.207 51 L C 2.605 179.391 176.870 -0.139 0.000 1.072 51 L CA 1.670 56.475 54.840 -0.058 0.000 0.744 51 L CB -0.381 41.654 42.059 -0.041 0.000 0.895 51 L HN 0.126 nan 8.230 nan 0.000 0.433 52 K N -1.018 119.223 120.400 -0.265 0.000 2.097 52 K HA -0.162 4.161 4.320 0.004 0.000 0.206 52 K C -0.343 175.906 176.600 -0.585 0.000 1.049 52 K CA 1.215 57.193 56.287 -0.514 0.000 0.933 52 K CB 0.159 32.192 32.500 -0.778 0.000 0.717 52 K HN 0.181 nan 8.250 nan 0.000 0.442 53 Y N -0.366 119.819 120.300 -0.193 0.000 2.662 53 Y HA 0.283 4.836 4.550 0.004 0.000 0.358 53 Y C -2.195 173.624 175.900 -0.135 0.000 1.041 53 Y CA -2.874 55.111 58.100 -0.191 0.000 1.184 53 Y CB 1.303 39.580 38.460 -0.306 0.000 1.114 53 Y HN 0.075 nan 8.280 nan 0.000 0.650 54 P HA -0.126 nan 4.420 nan 0.000 0.221 54 P C 0.749 178.058 177.300 0.014 0.000 1.145 54 P CA 1.596 64.707 63.100 0.019 0.000 0.795 54 P CB 0.529 32.235 31.700 0.010 0.000 0.775 55 D N -1.225 119.176 120.400 0.000 0.000 2.349 55 D HA 0.145 4.788 4.640 0.004 0.000 0.214 55 D C 0.666 176.918 176.300 -0.081 0.000 1.063 55 D CA 0.023 54.006 54.000 -0.029 0.000 0.847 55 D CB 0.102 40.885 40.800 -0.028 0.000 0.933 55 D HN 0.063 nan 8.370 nan 0.000 0.513 56 A N 1.195 123.939 122.820 -0.127 0.000 2.540 56 A HA 0.015 4.338 4.320 0.004 0.000 0.239 56 A C 0.600 178.109 177.584 -0.125 0.000 1.061 56 A CA 0.123 51.979 52.037 -0.302 0.000 0.758 56 A CB 0.330 19.125 19.000 -0.341 0.000 0.991 56 A HN -0.062 nan 8.150 nan 0.000 0.502 57 Q N 2.213 121.942 119.800 -0.119 0.000 2.490 57 Q HA 0.246 4.589 4.340 0.004 0.000 0.226 57 Q C -0.511 175.521 176.000 0.053 0.000 1.132 57 Q CA -0.080 55.719 55.803 -0.008 0.000 0.928 57 Q CB 0.700 29.437 28.738 -0.002 0.000 1.299 57 Q HN 0.458 nan 8.270 nan 0.000 0.528 58 V N 4.572 124.538 119.914 0.087 0.000 2.488 58 V HA 0.229 4.352 4.120 0.004 0.000 0.277 58 V C 0.534 176.684 176.094 0.092 0.000 1.046 58 V CA -0.135 62.242 62.300 0.129 0.000 0.986 58 V CB 0.727 32.641 31.823 0.152 0.000 0.989 58 V HN 0.552 nan 8.190 nan 0.000 0.475 59 I N 4.225 124.840 120.570 0.075 0.000 2.330 59 I HA 0.270 4.443 4.170 0.004 0.000 0.289 59 I C 0.317 176.481 176.117 0.078 0.000 1.001 59 I CA 0.126 61.463 61.300 0.062 0.000 1.193 59 I CB 1.727 39.741 38.000 0.024 0.000 1.345 59 I HN 0.559 nan 8.210 nan 0.000 0.461 60 S N 7.474 123.230 115.700 0.093 0.000 2.404 60 S HA 0.504 4.977 4.470 0.004 0.000 0.309 60 S C 0.089 174.773 174.600 0.140 0.000 1.076 60 S CA -0.497 57.772 58.200 0.116 0.000 1.095 60 S CB 0.125 63.392 63.200 0.112 0.000 0.972 60 S HN 0.551 nan 8.310 nan 0.000 0.484 61 L N 4.847 126.172 121.223 0.171 0.000 3.209 61 L HA 0.395 4.738 4.340 0.004 0.000 0.279 61 L C 1.384 178.378 176.870 0.207 0.000 1.301 61 L CA -0.414 54.545 54.840 0.199 0.000 1.004 61 L CB 0.110 42.314 42.059 0.242 0.000 1.402 61 L HN 0.790 nan 8.230 nan 0.000 0.577 62 G N 0.637 109.556 108.800 0.199 0.000 2.765 62 G HA2 0.109 4.072 3.960 0.004 0.000 0.218 62 G HA3 0.109 4.072 3.960 0.004 0.000 0.218 62 G C 0.407 175.426 174.900 0.198 0.000 1.271 62 G CA -0.098 45.136 45.100 0.223 0.000 0.865 62 G HN 0.158 nan 8.290 nan 0.000 0.604 63 I N 1.745 122.399 120.570 0.140 0.000 2.441 63 I HA 0.572 4.745 4.170 0.004 0.000 0.287 63 I C 1.070 177.217 176.117 0.051 0.000 1.049 63 I CA -0.488 60.813 61.300 0.002 0.000 1.381 63 I CB 1.453 39.411 38.000 -0.069 0.000 1.409 63 I HN 0.124 nan 8.210 nan 0.000 0.523 64 G N 5.643 114.463 108.800 0.034 0.000 2.991 64 G HA2 -0.028 3.935 3.960 0.004 0.000 0.262 64 G HA3 -0.028 3.935 3.960 0.004 0.000 0.262 64 G C -0.244 174.672 174.900 0.027 0.000 0.765 64 G CA -0.140 45.129 45.100 0.280 0.000 2.051 64 G HN 0.737 nan 8.290 nan 0.000 0.602 65 D N 1.665 122.045 120.400 -0.034 0.000 2.443 65 D HA 0.282 4.924 4.640 0.004 0.000 0.221 65 D C 1.157 177.244 176.300 -0.356 0.000 1.097 65 D CA -0.443 53.433 54.000 -0.205 0.000 0.865 65 D CB 0.507 41.260 40.800 -0.080 0.000 1.034 65 D HN 0.230 nan 8.370 nan 0.000 0.511 66 T N 0.736 114.838 114.554 -0.753 0.000 2.923 66 T HA -0.008 4.345 4.350 0.004 0.000 0.309 66 T C 1.297 175.942 174.700 -0.092 0.000 1.059 66 T CA 0.363 62.076 62.100 -0.646 0.000 1.133 66 T CB 0.612 69.215 68.868 -0.441 0.000 1.053 66 T HN 0.454 nan 8.240 nan 0.000 0.530 67 T N -2.303 112.346 114.554 0.160 0.000 2.975 67 T HA 0.210 4.563 4.350 0.004 0.000 0.257 67 T C 0.227 175.035 174.700 0.181 0.000 1.003 67 T CA -0.500 61.671 62.100 0.118 0.000 0.932 67 T CB 0.331 69.196 68.868 -0.005 0.000 1.087 67 T HN 0.566 nan 8.240 nan 0.000 0.512 68 E N 2.965 123.337 120.200 0.288 0.000 2.319 68 E HA 0.458 4.811 4.350 0.004 0.000 0.268 68 E C -2.418 174.259 176.600 0.128 0.000 1.050 68 E CA -2.532 53.958 56.400 0.150 0.000 0.878 68 E CB 0.385 30.043 29.700 -0.071 0.000 1.066 68 E HN 0.243 nan 8.360 nan 0.000 0.406 69 P HA -0.000 nan 4.420 nan 0.000 0.266 69 P C -0.024 177.333 177.300 0.095 0.000 1.186 69 P CA 0.285 63.431 63.100 0.078 0.000 0.767 69 P CB 0.285 32.011 31.700 0.043 0.000 0.820 70 I N 4.101 124.743 120.570 0.119 0.000 2.683 70 I HA 0.015 4.188 4.170 0.004 0.000 0.286 70 I C -1.647 174.537 176.117 0.111 0.000 1.175 70 I CA -1.541 59.852 61.300 0.156 0.000 1.429 70 I CB -0.343 37.776 38.000 0.199 0.000 1.371 70 I HN 0.244 nan 8.210 nan 0.000 0.569 71 P HA -0.041 nan 4.420 nan 0.000 0.261 71 P C 0.359 177.703 177.300 0.073 0.000 1.173 71 P CA 0.154 63.300 63.100 0.076 0.000 0.760 71 P CB 0.395 32.143 31.700 0.080 0.000 0.783 72 E N 1.456 121.687 120.200 0.052 0.000 2.273 72 E HA -0.182 4.170 4.350 0.004 0.000 0.198 72 E C 1.612 178.242 176.600 0.051 0.000 1.002 72 E CA 0.834 57.263 56.400 0.048 0.000 0.828 72 E CB -0.189 29.532 29.700 0.035 0.000 0.747 72 E HN 0.267 nan 8.360 nan 0.000 0.491 73 V N 1.224 121.170 119.914 0.053 0.000 2.515 73 V HA -0.199 3.924 4.120 0.004 0.000 0.250 73 V C 1.817 177.948 176.094 0.062 0.000 1.058 73 V CA 1.235 63.565 62.300 0.051 0.000 1.064 73 V CB -0.154 31.696 31.823 0.045 0.000 0.675 73 V HN 0.214 nan 8.190 nan 0.000 0.461 74 I N 1.040 121.662 120.570 0.086 0.000 2.339 74 I HA -0.102 4.071 4.170 0.004 0.000 0.245 74 I C 2.811 178.987 176.117 0.099 0.000 1.096 74 I CA 1.966 63.339 61.300 0.121 0.000 1.408 74 I CB -2.207 35.918 38.000 0.208 0.000 1.092 74 I HN 0.525 nan 8.210 nan 0.000 0.423 75 T N -0.893 113.710 114.554 0.081 0.000 2.833 75 T HA -0.105 4.248 4.350 0.004 0.000 0.269 75 T C 2.025 176.745 174.700 0.034 0.000 1.054 75 T CA 1.705 63.831 62.100 0.044 0.000 1.135 75 T CB -0.612 68.279 68.868 0.038 0.000 0.869 75 T HN 0.204 nan 8.240 nan 0.000 0.466 76 S N 2.111 117.838 115.700 0.045 0.000 2.368 76 S HA 0.099 4.572 4.470 0.004 0.000 0.225 76 S C 2.667 177.296 174.600 0.048 0.000 1.030 76 S CA 0.949 59.178 58.200 0.049 0.000 0.999 76 S CB -0.917 62.311 63.200 0.047 0.000 0.844 76 S HN 0.794 nan 8.310 nan 0.000 0.459 77 A N 1.785 124.631 122.820 0.044 0.000 1.883 77 A HA -0.118 4.205 4.320 0.004 0.000 0.217 77 A C 2.194 179.794 177.584 0.026 0.000 1.186 77 A CA 1.690 53.750 52.037 0.039 0.000 0.624 77 A CB -0.698 18.327 19.000 0.041 0.000 0.822 77 A HN 0.454 nan 8.150 nan 0.000 0.444 78 M N -0.717 118.892 119.600 0.014 0.000 2.065 78 M HA -0.189 4.294 4.480 0.004 0.000 0.259 78 M C 2.565 178.845 176.300 -0.034 0.000 1.069 78 M CA 1.642 56.930 55.300 -0.020 0.000 1.110 78 M CB -0.420 32.150 32.600 -0.049 0.000 1.328 78 M HN 0.497 nan 8.290 nan 0.000 0.405 79 A N 0.058 122.864 122.820 -0.023 0.000 1.933 79 A HA -0.221 4.102 4.320 0.004 0.000 0.218 79 A C 2.112 179.693 177.584 -0.006 0.000 1.175 79 A CA 2.046 54.049 52.037 -0.057 0.000 0.628 79 A CB -0.663 18.345 19.000 0.015 0.000 0.814 79 A HN 0.487 nan 8.150 nan 0.000 0.444 80 K N -0.548 119.906 120.400 0.091 0.000 2.103 80 K HA -0.162 4.160 4.320 0.004 0.000 0.204 80 K C 2.095 178.747 176.600 0.088 0.000 1.052 80 K CA 1.558 57.935 56.287 0.150 0.000 0.945 80 K CB -0.099 32.461 32.500 0.100 0.000 0.722 80 K HN 0.217 nan 8.250 nan 0.000 0.443 81 K N 1.109 121.530 120.400 0.034 0.000 2.026 81 K HA -0.074 4.249 4.320 0.004 0.000 0.208 81 K C 1.783 178.382 176.600 -0.002 0.000 1.048 81 K CA 1.710 58.005 56.287 0.015 0.000 0.929 81 K CB -0.657 31.842 32.500 -0.001 0.000 0.713 81 K HN 0.244 nan 8.250 nan 0.000 0.439 82 A N 0.831 123.617 122.820 -0.057 0.000 1.873 82 A HA -0.245 4.078 4.320 0.004 0.000 0.218 82 A C 2.074 179.609 177.584 -0.081 0.000 1.193 82 A CA 2.037 54.012 52.037 -0.103 0.000 0.629 82 A CB -1.146 17.741 19.000 -0.188 0.000 0.826 82 A HN 0.540 nan 8.150 nan 0.000 0.447 83 H N -0.369 118.711 119.070 0.017 0.000 2.357 83 H HA -0.152 4.407 4.556 0.004 0.000 0.296 83 H C 1.939 177.285 175.328 0.029 0.000 1.108 83 H CA 1.887 57.946 56.048 0.019 0.000 1.273 83 H CB -0.324 29.447 29.762 0.014 0.000 1.367 83 H HN 0.696 nan 8.280 nan 0.000 0.498 84 E N 0.323 120.609 120.200 0.144 0.000 2.347 84 E HA -0.034 4.318 4.350 0.004 0.000 0.196 84 E C 2.128 178.793 176.600 0.107 0.000 1.008 84 E CA -0.031 56.430 56.400 0.103 0.000 0.852 84 E CB 0.069 29.812 29.700 0.072 0.000 0.783 84 E HN 0.365 nan 8.360 nan 0.000 0.505 85 L N 0.658 121.946 121.223 0.109 0.000 2.456 85 L HA -0.084 4.259 4.340 0.004 0.000 0.224 85 L C 2.132 179.113 176.870 0.185 0.000 1.148 85 L CA 0.806 55.756 54.840 0.184 0.000 0.825 85 L CB -0.178 41.967 42.059 0.144 0.000 0.937 85 L HN 0.139 nan 8.230 nan 0.000 0.450 86 S N -2.363 113.404 115.700 0.111 0.000 2.556 86 S HA 0.049 4.522 4.470 0.004 0.000 0.216 86 S C 0.820 175.451 174.600 0.051 0.000 0.970 86 S CA -0.186 58.052 58.200 0.063 0.000 0.912 86 S CB -0.410 62.827 63.200 0.063 0.000 0.790 86 S HN 0.375 nan 8.310 nan 0.000 0.504 87 T N -0.685 113.916 114.554 0.078 0.000 2.925 87 T HA 0.581 4.933 4.350 0.004 0.000 0.285 87 T C 1.321 176.066 174.700 0.075 0.000 1.021 87 T CA -0.980 61.156 62.100 0.060 0.000 1.042 87 T CB 0.770 69.672 68.868 0.057 0.000 1.037 87 T HN -0.035 nan 8.240 nan 0.000 0.481 88 I N 1.511 122.109 120.570 0.047 0.000 2.163 88 I HA -0.143 4.030 4.170 0.004 0.000 0.243 88 I C 2.701 178.869 176.117 0.084 0.000 1.085 88 I CA 1.624 62.957 61.300 0.055 0.000 1.347 88 I CB -1.051 36.965 38.000 0.026 0.000 1.044 88 I HN 0.838 nan 8.210 nan 0.000 0.408 89 E N 1.176 121.413 120.200 0.061 0.000 2.274 89 E HA -0.101 4.251 4.350 0.004 0.000 0.194 89 E C 2.004 178.638 176.600 0.056 0.000 0.996 89 E CA 1.350 57.781 56.400 0.052 0.000 0.840 89 E CB -0.679 29.041 29.700 0.034 0.000 0.772 89 E HN 0.461 nan 8.360 nan 0.000 0.491 90 G N -0.051 108.794 108.800 0.074 0.000 2.887 90 G HA2 -0.086 3.877 3.960 0.004 0.000 0.211 90 G HA3 -0.086 3.877 3.960 0.004 0.000 0.211 90 G C 0.033 174.979 174.900 0.077 0.000 1.152 90 G CA -0.421 44.717 45.100 0.065 0.000 0.769 90 G HN 0.243 nan 8.290 nan 0.000 0.541 91 Y N 2.673 122.974 120.300 0.002 0.000 2.544 91 Y HA 0.287 4.840 4.550 0.005 0.000 0.330 91 Y C 1.289 177.184 175.900 -0.008 0.000 1.136 91 Y CA -0.028 58.068 58.100 -0.007 0.000 1.417 91 Y CB 1.132 39.585 38.460 -0.013 0.000 1.229 91 Y HN 0.058 nan 8.280 nan 0.000 0.532 92 S N 3.265 118.443 115.700 -0.872 0.000 2.694 92 S HA 0.572 5.044 4.470 0.004 0.000 0.225 92 S C 0.927 175.049 174.600 -0.797 0.000 1.012 92 S CA 0.119 57.948 58.200 -0.618 0.000 0.896 92 S CB -0.514 62.500 63.200 -0.310 0.000 0.838 92 S HN 1.329 nan 8.310 nan 0.000 0.604 93 G N 0.722 108.966 108.800 -0.927 0.000 2.545 93 G HA2 -0.223 3.739 3.960 0.004 0.000 0.216 93 G HA3 -0.223 3.739 3.960 0.004 0.000 0.216 93 G C 0.174 174.960 174.900 -0.189 0.000 1.314 93 G CA 0.021 44.852 45.100 -0.447 0.000 0.906 93 G HN 0.170 nan 8.290 nan 0.000 0.563 94 Y N 1.729 121.968 120.300 -0.101 0.000 2.139 94 Y HA 0.130 4.683 4.550 0.005 0.000 0.282 94 Y C 2.553 178.394 175.900 -0.098 0.000 1.179 94 Y CA 2.631 60.679 58.100 -0.086 0.000 1.161 94 Y CB -0.951 37.473 38.460 -0.059 0.000 0.970 94 Y HN 2.220 nan 8.280 nan 0.000 0.511 95 G N -0.353 108.492 108.800 0.075 0.000 3.116 95 G HA2 0.004 3.966 3.960 0.004 0.000 0.685 95 G HA3 0.004 3.966 3.960 0.004 0.000 0.685 95 G C 0.099 174.995 174.900 -0.006 0.000 1.327 95 G CA -0.506 44.601 45.100 0.011 0.000 1.107 95 G HN 0.858 nan 8.290 nan 0.000 0.591 96 A N 1.627 124.443 122.820 -0.006 0.000 2.592 96 A HA 0.322 4.645 4.320 0.004 0.000 0.250 96 A C 1.635 179.210 177.584 -0.014 0.000 1.017 96 A CA 1.452 53.485 52.037 -0.007 0.000 0.794 96 A CB 0.186 19.191 19.000 0.007 0.000 0.917 96 A HN 1.393 nan 8.150 nan 0.000 0.515 97 E N 2.419 122.596 120.200 -0.038 0.000 2.427 97 E HA -0.181 4.172 4.350 0.004 0.000 0.196 97 E C 1.360 178.035 176.600 0.125 0.000 1.028 97 E CA 0.881 57.236 56.400 -0.075 0.000 0.864 97 E CB -0.136 29.445 29.700 -0.200 0.000 0.813 97 E HN 0.904 nan 8.360 nan 0.000 0.514 98 Q N 1.124 121.015 119.800 0.152 0.000 2.291 98 Q HA 0.034 4.377 4.340 0.004 0.000 0.205 98 Q C 0.262 176.371 176.000 0.182 0.000 0.970 98 Q CA 1.141 57.076 55.803 0.220 0.000 0.876 98 Q CB 0.161 28.961 28.738 0.103 0.000 0.935 98 Q HN 0.401 nan 8.270 nan 0.000 0.455 99 G N -0.686 108.192 108.800 0.129 0.000 2.465 99 G HA2 0.078 4.041 3.960 0.004 0.000 0.681 99 G HA3 0.078 4.041 3.960 0.004 0.000 0.681 99 G C -0.930 174.008 174.900 0.063 0.000 1.340 99 G CA -0.571 44.604 45.100 0.125 0.000 0.884 99 G HN 0.330 nan 8.290 nan 0.000 0.650 100 A N 0.901 123.755 122.820 0.057 0.000 2.565 100 A HA 0.521 4.844 4.320 0.004 0.000 0.237 100 A C 1.528 179.124 177.584 0.021 0.000 1.053 100 A CA 1.435 53.490 52.037 0.030 0.000 0.755 100 A CB 0.286 19.304 19.000 0.030 0.000 0.980 100 A HN 0.980 nan 8.150 nan 0.000 0.506 101 K N 2.165 122.567 120.400 0.004 0.000 2.057 101 K HA -0.030 4.292 4.320 0.004 0.000 0.206 101 K C -0.987 175.607 176.600 -0.008 0.000 1.050 101 K CA 2.046 58.328 56.287 -0.010 0.000 0.935 101 K CB -1.101 31.390 32.500 -0.015 0.000 0.715 101 K HN 0.553 nan 8.250 nan 0.000 0.439 102 P HA -0.144 nan 4.420 nan 0.000 0.220 102 P C 1.197 178.501 177.300 0.007 0.000 1.148 102 P CA 0.918 64.017 63.100 -0.001 0.000 0.803 102 P CB 0.160 31.861 31.700 0.002 0.000 0.782 103 L N -1.005 120.231 121.223 0.022 0.000 2.095 103 L HA -0.036 4.306 4.340 0.004 0.000 0.204 103 L C 2.410 179.295 176.870 0.025 0.000 1.080 103 L CA 1.338 56.204 54.840 0.044 0.000 0.759 103 L CB -0.237 41.870 42.059 0.080 0.000 0.914 103 L HN -0.106 nan 8.230 nan 0.000 0.439 104 R N -0.204 120.301 120.500 0.007 0.000 2.083 104 R HA -0.186 4.157 4.340 0.004 0.000 0.237 104 R C 2.296 178.568 176.300 -0.047 0.000 1.137 104 R CA 1.518 57.599 56.100 -0.033 0.000 0.951 104 R CB -0.470 29.798 30.300 -0.054 0.000 0.851 104 R HN 0.426 nan 8.270 nan 0.000 0.434 105 A N 1.237 124.036 122.820 -0.035 0.000 1.883 105 A HA -0.166 4.157 4.320 0.004 0.000 0.217 105 A C 2.382 179.948 177.584 -0.031 0.000 1.186 105 A CA 1.888 53.905 52.037 -0.033 0.000 0.624 105 A CB -0.743 18.241 19.000 -0.028 0.000 0.822 105 A HN 0.429 nan 8.150 nan 0.000 0.444 106 A N -0.462 122.343 122.820 -0.025 0.000 1.972 106 A HA -0.028 4.295 4.320 0.004 0.000 0.219 106 A C 2.124 179.675 177.584 -0.055 0.000 1.169 106 A CA 1.457 53.474 52.037 -0.034 0.000 0.635 106 A CB -0.542 18.454 19.000 -0.006 0.000 0.810 106 A HN 0.516 nan 8.150 nan 0.000 0.446 107 I N -0.497 120.049 120.570 -0.040 0.000 2.233 107 I HA -0.227 3.946 4.170 0.004 0.000 0.243 107 I C 3.017 179.192 176.117 0.096 0.000 1.093 107 I CA 0.884 62.154 61.300 -0.049 0.000 1.380 107 I CB -0.436 37.332 38.000 -0.387 0.000 1.067 107 I HN 0.352 nan 8.210 nan 0.000 0.413 108 A N 1.172 124.037 122.820 0.075 0.000 1.884 108 A HA -0.289 4.033 4.320 0.004 0.000 0.219 108 A C 2.317 179.977 177.584 0.126 0.000 1.197 108 A CA 2.143 54.275 52.037 0.157 0.000 0.637 108 A CB -0.587 18.427 19.000 0.025 0.000 0.827 108 A HN 0.340 nan 8.150 nan 0.000 0.450 109 K N -1.346 119.056 120.400 0.005 0.000 2.031 109 K HA -0.060 4.263 4.320 0.004 0.000 0.205 109 K C 2.184 178.712 176.600 -0.120 0.000 1.049 109 K CA 1.710 57.971 56.287 -0.044 0.000 0.939 109 K CB -0.392 32.069 32.500 -0.065 0.000 0.717 109 K HN 0.504 nan 8.250 nan 0.000 0.438 110 T N 0.427 114.835 114.554 -0.242 0.000 2.777 110 T HA -0.067 4.286 4.350 0.004 0.000 0.266 110 T C 1.317 175.639 174.700 -0.631 0.000 1.040 110 T CA 1.245 63.035 62.100 -0.517 0.000 1.141 110 T CB -0.123 68.258 68.868 -0.812 0.000 0.868 110 T HN 0.060 nan 8.240 nan 0.000 0.444 111 F N -1.030 118.781 119.950 -0.231 0.000 2.717 111 F HA 0.334 4.864 4.527 0.005 0.000 0.295 111 F C 0.651 176.020 175.800 -0.718 0.000 1.117 111 F CA -0.520 57.174 58.000 -0.511 0.000 1.361 111 F CB 0.339 38.923 39.000 -0.693 0.000 1.112 111 F HN 0.141 nan 8.300 nan 0.000 0.594 112 Y N -1.029 119.370 120.300 0.166 0.000 2.767 112 Y HA 0.397 4.950 4.550 0.004 0.000 0.254 112 Y C 1.211 177.137 175.900 0.043 0.000 1.133 112 Y CA -1.184 56.995 58.100 0.133 0.000 1.225 112 Y CB -0.218 38.317 38.460 0.126 0.000 1.312 112 Y HN -0.129 nan 8.280 nan 0.000 0.560 113 G N 0.361 109.208 108.800 0.079 0.000 2.299 113 G HA2 0.371 4.334 3.960 0.004 0.000 0.256 113 G HA3 0.371 4.334 3.960 0.004 0.000 0.256 113 G C 1.085 176.008 174.900 0.038 0.000 1.259 113 G CA 0.666 45.786 45.100 0.035 0.000 0.943 113 G HN 0.764 nan 8.290 nan 0.000 0.479 114 G N 1.336 110.157 108.800 0.034 0.000 2.194 114 G HA2 -0.259 3.703 3.960 0.004 0.000 0.236 114 G HA3 -0.259 3.703 3.960 0.004 0.000 0.236 114 G C 0.889 175.817 174.900 0.047 0.000 0.987 114 G CA 0.342 45.459 45.100 0.029 0.000 0.635 114 G HN 0.808 nan 8.290 nan 0.000 0.520 115 L N 0.405 121.674 121.223 0.077 0.000 2.769 115 L HA 0.476 4.819 4.340 0.004 0.000 0.240 115 L C 1.983 178.866 176.870 0.022 0.000 1.163 115 L CA 0.530 55.429 54.840 0.099 0.000 0.962 115 L CB 0.165 42.357 42.059 0.222 0.000 1.258 115 L HN 0.926 nan 8.230 nan 0.000 0.513 116 G N 1.005 109.799 108.800 -0.011 0.000 2.159 116 G HA2 -0.289 3.674 3.960 0.004 0.000 0.256 116 G HA3 -0.289 3.674 3.960 0.004 0.000 0.256 116 G C -0.000 174.821 174.900 -0.132 0.000 0.977 116 G CA -0.138 44.924 45.100 -0.063 0.000 0.652 116 G HN 0.231 nan 8.290 nan 0.000 0.531 117 I N 1.793 122.278 120.570 -0.141 0.000 2.342 117 I HA 0.595 4.768 4.170 0.004 0.000 0.291 117 I C 1.163 177.210 176.117 -0.117 0.000 1.010 117 I CA 0.363 61.541 61.300 -0.203 0.000 1.308 117 I CB 1.490 39.288 38.000 -0.338 0.000 1.400 117 I HN 0.184 nan 8.210 nan 0.000 0.488 118 G N 3.200 111.925 108.800 -0.125 0.000 2.488 118 G HA2 0.225 4.187 3.960 0.004 0.000 0.318 118 G HA3 0.225 4.187 3.960 0.004 0.000 0.318 118 G C 0.369 175.207 174.900 -0.105 0.000 1.188 118 G CA -0.404 44.640 45.100 -0.093 0.000 0.944 118 G HN 0.611 nan 8.290 nan 0.000 0.495 119 D N 0.267 120.615 120.400 -0.085 0.000 2.172 119 D HA -0.165 4.477 4.640 0.004 0.000 0.196 119 D C 2.016 178.228 176.300 -0.146 0.000 0.999 119 D CA 1.731 55.673 54.000 -0.096 0.000 0.856 119 D CB 0.036 40.793 40.800 -0.072 0.000 0.934 119 D HN 0.608 nan 8.370 nan 0.000 0.453 120 D N 0.113 120.426 120.400 -0.145 0.000 2.347 120 D HA -0.113 4.529 4.640 0.004 0.000 0.215 120 D C 0.756 176.883 176.300 -0.288 0.000 0.976 120 D CA 0.487 54.374 54.000 -0.189 0.000 0.884 120 D CB -0.235 40.496 40.800 -0.115 0.000 0.915 120 D HN 0.112 nan 8.370 nan 0.000 0.526 121 D N 0.344 120.604 120.400 -0.234 0.000 2.348 121 D HA 0.038 4.681 4.640 0.004 0.000 0.211 121 D C 0.337 176.511 176.300 -0.209 0.000 0.998 121 D CA 0.128 54.016 54.000 -0.187 0.000 0.873 121 D CB 0.850 41.555 40.800 -0.159 0.000 0.925 121 D HN 0.122 nan 8.370 nan 0.000 0.524 122 V N 1.307 121.039 119.914 -0.304 0.000 2.439 122 V HA 0.293 4.416 4.120 0.004 0.000 0.282 122 V C -0.428 175.520 176.094 -0.243 0.000 1.039 122 V CA -0.606 61.626 62.300 -0.114 0.000 0.913 122 V CB 1.027 32.796 31.823 -0.090 0.000 0.983 122 V HN -0.137 nan 8.190 nan 0.000 0.460 123 F N 3.204 123.324 119.950 0.284 0.000 2.434 123 F HA 0.481 5.010 4.527 0.005 0.000 0.355 123 F C 0.142 176.184 175.800 0.403 0.000 1.115 123 F CA -0.840 57.373 58.000 0.354 0.000 1.010 123 F CB 1.506 40.833 39.000 0.545 0.000 1.234 123 F HN 0.195 nan 8.300 nan 0.000 0.439 124 V N 3.120 123.316 119.914 0.471 0.000 2.572 124 V HA 0.404 4.527 4.120 0.004 0.000 0.291 124 V C 0.307 176.692 176.094 0.486 0.000 1.039 124 V CA -0.075 62.508 62.300 0.471 0.000 1.055 124 V CB 0.768 32.808 31.823 0.362 0.000 0.969 124 V HN 0.867 nan 8.190 nan 0.000 0.482 125 S N 1.962 117.905 115.700 0.406 0.000 2.740 125 S HA 0.432 4.904 4.470 0.004 0.000 0.300 125 S C 0.267 175.040 174.600 0.289 0.000 1.147 125 S CA -0.288 58.066 58.200 0.257 0.000 0.871 125 S CB 1.927 65.126 63.200 -0.001 0.000 1.173 125 S HN 0.754 nan 8.310 nan 0.000 0.510 126 D N -0.433 120.091 120.400 0.208 0.000 2.336 126 D HA 0.361 5.004 4.640 0.004 0.000 0.229 126 D C 0.756 177.125 176.300 0.116 0.000 1.061 126 D CA 0.526 54.658 54.000 0.221 0.000 0.875 126 D CB -0.365 40.597 40.800 0.269 0.000 0.904 126 D HN 1.190 nan 8.370 nan 0.000 0.525 127 G N -1.242 107.596 108.800 0.063 0.000 2.337 127 G HA2 0.311 4.273 3.960 0.004 0.000 0.310 127 G HA3 0.311 4.273 3.960 0.004 0.000 0.310 127 G C 0.354 175.230 174.900 -0.040 0.000 1.534 127 G CA -0.223 44.888 45.100 0.017 0.000 0.982 127 G HN 0.205 nan 8.290 nan 0.000 0.672 128 A N 0.467 123.233 122.820 -0.089 0.000 1.969 128 A HA 0.057 4.379 4.320 0.004 0.000 0.218 128 A C 2.135 179.707 177.584 -0.021 0.000 1.169 128 A CA 2.324 54.301 52.037 -0.100 0.000 0.635 128 A CB -0.336 18.544 19.000 -0.200 0.000 0.810 128 A HN 0.808 nan 8.150 nan 0.000 0.445 129 K N -0.462 119.940 120.400 0.003 0.000 2.147 129 K HA -0.173 4.149 4.320 0.004 0.000 0.205 129 K C 1.728 178.333 176.600 0.009 0.000 1.049 129 K CA 1.760 58.076 56.287 0.049 0.000 0.936 129 K CB -0.385 32.151 32.500 0.060 0.000 0.722 129 K HN 0.641 nan 8.250 nan 0.000 0.446 130 C N 0.616 119.902 119.300 -0.024 0.000 2.485 130 C HA 0.050 4.512 4.460 0.004 0.000 0.277 130 C C 2.005 176.956 174.990 -0.066 0.000 1.376 130 C CA -0.123 58.857 59.018 -0.064 0.000 1.759 130 C CB -0.560 27.116 27.740 -0.107 0.000 1.970 130 C HN 0.480 nan 8.230 nan 0.000 0.509 131 D N 1.456 121.839 120.400 -0.028 0.000 2.117 131 D HA -0.036 4.606 4.640 0.004 0.000 0.198 131 D C 2.045 178.395 176.300 0.083 0.000 0.982 131 D CA 1.061 55.086 54.000 0.041 0.000 0.828 131 D CB -0.255 40.559 40.800 0.024 0.000 0.967 131 D HN 0.443 nan 8.370 nan 0.000 0.464 132 I N 0.526 121.154 120.570 0.096 0.000 2.208 132 I HA -0.251 3.922 4.170 0.004 0.000 0.245 132 I C 2.266 178.467 176.117 0.140 0.000 1.097 132 I CA 0.905 62.310 61.300 0.175 0.000 1.363 132 I CB -0.063 38.067 38.000 0.218 0.000 1.051 132 I HN -0.095 nan 8.210 nan 0.000 0.413 133 S N -0.322 115.418 115.700 0.066 0.000 2.421 133 S HA -0.038 4.435 4.470 0.004 0.000 0.224 133 S C 1.981 176.599 174.600 0.031 0.000 1.035 133 S CA 0.416 58.638 58.200 0.036 0.000 0.953 133 S CB -0.038 63.153 63.200 -0.014 0.000 0.810 133 S HN 0.269 nan 8.310 nan 0.000 0.497 134 R N 1.033 121.546 120.500 0.021 0.000 2.096 134 R HA -0.078 4.264 4.340 0.004 0.000 0.240 134 R C 2.021 178.371 176.300 0.083 0.000 1.139 134 R CA 1.399 57.515 56.100 0.028 0.000 0.952 134 R CB -0.464 29.860 30.300 0.040 0.000 0.854 134 R HN 0.339 nan 8.270 nan 0.000 0.436 135 L N 0.146 121.418 121.223 0.081 0.000 2.046 135 L HA -0.236 4.106 4.340 0.004 0.000 0.208 135 L C 2.618 179.336 176.870 -0.255 0.000 1.077 135 L CA 1.211 55.929 54.840 -0.203 0.000 0.747 135 L CB -0.384 41.561 42.059 -0.189 0.000 0.896 135 L HN 0.278 nan 8.230 nan 0.000 0.432 136 Q N -0.590 119.249 119.800 0.065 0.000 2.123 136 Q HA -0.103 4.239 4.340 0.004 0.000 0.199 136 Q C 2.421 178.491 176.000 0.117 0.000 0.966 136 Q CA 1.210 57.131 55.803 0.197 0.000 0.845 136 Q CB -0.197 28.663 28.738 0.203 0.000 0.907 136 Q HN 0.406 nan 8.270 nan 0.000 0.439 137 V N 1.280 121.221 119.914 0.045 0.000 2.358 137 V HA -0.251 3.872 4.120 0.004 0.000 0.246 137 V C 2.402 178.512 176.094 0.026 0.000 1.047 137 V CA 1.644 63.962 62.300 0.030 0.000 1.035 137 V CB -0.619 31.204 31.823 0.001 0.000 0.658 137 V HN 0.355 nan 8.190 nan 0.000 0.452 138 M N -0.645 118.942 119.600 -0.021 0.000 2.080 138 M HA -0.215 4.268 4.480 0.004 0.000 0.260 138 M C 2.139 178.479 176.300 0.067 0.000 1.068 138 M CA 2.268 57.552 55.300 -0.026 0.000 1.109 138 M CB -0.229 32.315 32.600 -0.094 0.000 1.342 138 M HN 0.312 nan 8.290 nan 0.000 0.405 139 F N 0.621 120.654 119.950 0.139 0.000 2.146 139 F HA 0.163 4.693 4.527 0.006 0.000 0.298 139 F C 1.892 177.732 175.800 0.067 0.000 1.096 139 F CA 1.120 59.199 58.000 0.132 0.000 1.275 139 F CB -1.268 37.806 39.000 0.123 0.000 1.008 139 F HN 0.421 nan 8.300 nan 0.000 0.480 140 G N -0.663 108.290 108.800 0.255 0.000 2.610 140 G HA2 -0.142 3.820 3.960 0.004 0.000 0.304 140 G HA3 -0.142 3.820 3.960 0.004 0.000 0.304 140 G C 0.579 175.551 174.900 0.120 0.000 1.309 140 G CA 0.013 45.191 45.100 0.130 0.000 0.906 140 G HN 0.567 nan 8.290 nan 0.000 0.521 141 S N -1.229 114.512 115.700 0.068 0.000 2.524 141 S HA 0.102 4.574 4.470 0.004 0.000 0.215 141 S C 1.283 175.908 174.600 0.042 0.000 0.986 141 S CA 0.947 59.181 58.200 0.055 0.000 0.911 141 S CB -0.061 63.160 63.200 0.036 0.000 0.805 141 S HN 0.667 nan 8.310 nan 0.000 0.501 142 N N 1.853 120.574 118.700 0.034 0.000 2.449 142 N HA 0.139 4.881 4.740 0.004 0.000 0.191 142 N C 0.271 175.792 175.510 0.018 0.000 1.161 142 N CA 0.334 53.396 53.050 0.020 0.000 0.863 142 N CB 0.644 39.134 38.487 0.004 0.000 0.980 142 N HN 0.552 nan 8.380 nan 0.000 0.458 143 V N -1.664 118.268 119.914 0.030 0.000 2.716 143 V HA 0.586 4.708 4.120 0.004 0.000 0.304 143 V C 0.509 176.605 176.094 0.003 0.000 1.053 143 V CA -0.900 61.400 62.300 -0.001 0.000 0.984 143 V CB 1.435 33.227 31.823 -0.052 0.000 1.021 143 V HN 0.112 nan 8.190 nan 0.000 0.467 144 T N 2.179 116.724 114.554 -0.015 0.000 2.929 144 T HA 0.810 5.163 4.350 0.004 0.000 0.284 144 T C -0.332 174.361 174.700 -0.011 0.000 1.014 144 T CA -0.352 61.749 62.100 0.002 0.000 1.051 144 T CB 1.487 70.359 68.868 0.007 0.000 1.028 144 T HN 1.520 nan 8.240 nan 0.000 0.485 145 I N -1.299 119.286 120.570 0.025 0.000 2.969 145 I HA 0.930 5.102 4.170 0.004 0.000 0.307 145 I C -0.903 175.243 176.117 0.048 0.000 1.149 145 I CA -1.630 59.705 61.300 0.058 0.000 1.008 145 I CB 1.920 40.033 38.000 0.188 0.000 1.232 145 I HN 0.952 nan 8.210 nan 0.000 0.435 146 A N 3.871 126.734 122.820 0.073 0.000 2.386 146 A HA 0.917 5.240 4.320 0.004 0.000 0.311 146 A C -0.654 176.971 177.584 0.069 0.000 1.068 146 A CA -0.364 51.699 52.037 0.043 0.000 0.743 146 A CB 1.696 20.738 19.000 0.071 0.000 1.258 146 A HN 1.602 nan 8.150 nan 0.000 0.429 147 V N -0.267 119.635 119.914 -0.019 0.000 3.130 147 V HA 0.643 4.766 4.120 0.004 0.000 0.310 147 V C -0.583 175.514 176.094 0.005 0.000 1.158 147 V CA -1.011 61.298 62.300 0.015 0.000 1.029 147 V CB 1.271 33.093 31.823 -0.002 0.000 1.057 147 V HN 0.950 nan 8.190 nan 0.000 0.436 148 Q N 1.188 120.991 119.800 0.004 0.000 2.373 148 Q HA 0.433 4.775 4.340 0.004 0.000 0.255 148 Q C -1.001 175.018 176.000 0.033 0.000 0.980 148 Q CA 0.340 56.120 55.803 -0.039 0.000 0.882 148 Q CB 0.813 29.442 28.738 -0.181 0.000 1.249 148 Q HN 0.912 nan 8.270 nan 0.000 0.438 149 D N 2.433 122.869 120.400 0.060 0.000 2.542 149 D HA 0.308 4.951 4.640 0.004 0.000 0.252 149 D C -2.633 173.698 176.300 0.051 0.000 1.222 149 D CA -2.127 51.952 54.000 0.131 0.000 0.895 149 D CB 1.364 42.343 40.800 0.297 0.000 1.207 149 D HN 0.111 nan 8.370 nan 0.000 0.558 150 P HA 0.317 nan 4.420 nan 0.000 0.279 150 P C -0.736 176.526 177.300 -0.064 0.000 1.252 150 P CA -0.550 62.555 63.100 0.008 0.000 0.811 150 P CB 1.662 33.317 31.700 -0.075 0.000 1.035 151 S N -0.024 115.711 115.700 0.058 0.000 2.638 151 S HA 0.315 4.788 4.470 0.004 0.000 0.274 151 S C -1.376 173.343 174.600 0.197 0.000 1.157 151 S CA -0.540 57.700 58.200 0.066 0.000 0.826 151 S CB 0.346 63.634 63.200 0.146 0.000 1.139 151 S HN 0.352 nan 8.310 nan 0.000 0.474 152 Y N 4.323 124.619 120.300 -0.006 0.000 2.887 152 Y HA 0.063 4.616 4.550 0.004 0.000 0.350 152 Y C -1.471 174.295 175.900 -0.223 0.000 1.294 152 Y CA -0.705 57.349 58.100 -0.077 0.000 1.622 152 Y CB 0.675 38.898 38.460 -0.394 0.000 1.201 152 Y HN 0.432 nan 8.280 nan 0.000 0.546 153 P HA -0.105 nan 4.420 nan 0.000 0.230 153 P C 0.802 177.951 177.300 -0.252 0.000 1.158 153 P CA 1.580 64.484 63.100 -0.327 0.000 0.769 153 P CB 0.026 31.459 31.700 -0.445 0.000 0.807 154 A N -1.164 121.350 122.820 -0.509 0.000 2.066 154 A HA -0.134 4.189 4.320 0.004 0.000 0.218 154 A C 1.758 179.212 177.584 -0.217 0.000 1.157 154 A CA 0.836 52.684 52.037 -0.315 0.000 0.670 154 A CB -1.282 17.589 19.000 -0.216 0.000 0.804 154 A HN 0.083 nan 8.150 nan 0.000 0.453 155 Y N -0.655 119.540 120.300 -0.176 0.000 2.176 155 Y HA -0.057 4.496 4.550 0.005 0.000 0.291 155 Y C 2.527 178.206 175.900 -0.368 0.000 1.122 155 Y CA 0.591 58.420 58.100 -0.451 0.000 1.128 155 Y CB -1.271 36.774 38.460 -0.692 0.000 1.005 155 Y HN 0.039 nan 8.280 nan 0.000 0.509 156 V N 0.728 120.601 119.914 -0.069 0.000 2.233 156 V HA -0.302 3.821 4.120 0.004 0.000 0.247 156 V C 1.920 177.920 176.094 -0.157 0.000 1.050 156 V CA 2.387 64.643 62.300 -0.073 0.000 1.010 156 V CB -0.659 31.205 31.823 0.069 0.000 0.637 156 V HN 0.312 nan 8.190 nan 0.000 0.444 157 D N 0.275 120.589 120.400 -0.142 0.000 2.149 157 D HA -0.135 4.508 4.640 0.004 0.000 0.198 157 D C 2.396 178.581 176.300 -0.191 0.000 0.990 157 D CA 1.747 55.636 54.000 -0.185 0.000 0.839 157 D CB -0.330 40.389 40.800 -0.136 0.000 0.948 157 D HN 0.617 nan 8.370 nan 0.000 0.460 158 S N -0.864 114.741 115.700 -0.158 0.000 2.428 158 S HA -0.063 4.409 4.470 0.004 0.000 0.230 158 S C 2.062 176.616 174.600 -0.076 0.000 1.014 158 S CA 1.098 59.233 58.200 -0.108 0.000 0.957 158 S CB -0.050 63.113 63.200 -0.061 0.000 0.784 158 S HN 0.064 nan 8.310 nan 0.000 0.499 159 S N 0.865 116.507 115.700 -0.096 0.000 2.357 159 S HA -0.003 4.469 4.470 0.004 0.000 0.221 159 S C 1.872 176.416 174.600 -0.094 0.000 1.031 159 S CA 1.123 59.290 58.200 -0.055 0.000 0.982 159 S CB -0.644 62.521 63.200 -0.060 0.000 0.853 159 S HN 0.437 nan 8.310 nan 0.000 0.458 160 V N 2.347 122.136 119.914 -0.209 0.000 2.252 160 V HA -0.226 3.896 4.120 0.004 0.000 0.249 160 V C 2.207 178.220 176.094 -0.135 0.000 1.056 160 V CA 2.132 64.282 62.300 -0.250 0.000 1.022 160 V CB -0.715 30.806 31.823 -0.504 0.000 0.641 160 V HN 0.499 nan 8.190 nan 0.000 0.445 161 I N -0.837 119.657 120.570 -0.126 0.000 2.264 161 I HA -0.270 3.903 4.170 0.004 0.000 0.248 161 I C 2.272 178.364 176.117 -0.042 0.000 1.111 161 I CA 1.411 62.663 61.300 -0.079 0.000 1.382 161 I CB -0.266 37.684 38.000 -0.085 0.000 1.060 161 I HN 0.283 nan 8.210 nan 0.000 0.418 162 M N -0.089 119.496 119.600 -0.025 0.000 2.618 162 M HA 0.148 4.631 4.480 0.004 0.000 0.240 162 M C 1.518 177.826 176.300 0.014 0.000 1.123 162 M CA 0.623 55.928 55.300 0.009 0.000 1.060 162 M CB -0.973 31.654 32.600 0.045 0.000 1.535 162 M HN 0.423 nan 8.290 nan 0.000 0.507 163 G N 0.589 109.389 108.800 -0.000 0.000 2.136 163 G HA2 -0.286 3.677 3.960 0.004 0.000 0.242 163 G HA3 -0.286 3.677 3.960 0.004 0.000 0.242 163 G C 0.719 175.631 174.900 0.021 0.000 0.989 163 G CA 0.417 45.523 45.100 0.010 0.000 0.682 163 G HN 0.508 nan 8.290 nan 0.000 0.522 164 Q N -0.135 119.678 119.800 0.022 0.000 2.444 164 Q HA 0.190 4.532 4.340 0.004 0.000 0.206 164 Q C 1.531 177.552 176.000 0.035 0.000 0.948 164 Q CA 1.184 57.008 55.803 0.034 0.000 0.946 164 Q CB 0.333 29.100 28.738 0.049 0.000 1.027 164 Q HN 0.790 nan 8.270 nan 0.000 0.513 165 T N -4.171 110.402 114.554 0.032 0.000 2.864 165 T HA 0.692 5.045 4.350 0.004 0.000 0.289 165 T C 0.311 175.066 174.700 0.090 0.000 1.082 165 T CA -0.500 61.640 62.100 0.067 0.000 1.009 165 T CB 1.846 70.750 68.868 0.060 0.000 1.234 165 T HN 0.067 nan 8.240 nan 0.000 0.526 166 G N -0.138 108.743 108.800 0.135 0.000 2.583 166 G HA2 0.541 4.504 3.960 0.004 0.000 0.280 166 G HA3 0.541 4.504 3.960 0.004 0.000 0.280 166 G C -0.397 174.632 174.900 0.215 0.000 1.376 166 G CA -0.748 44.434 45.100 0.137 0.000 1.043 166 G HN 0.782 nan 8.290 nan 0.000 0.538 167 Q N -1.098 118.811 119.800 0.183 0.000 2.535 167 Q HA 0.137 4.479 4.340 0.004 0.000 0.228 167 Q C -0.905 175.259 176.000 0.275 0.000 1.062 167 Q CA -0.249 55.694 55.803 0.233 0.000 0.967 167 Q CB 1.050 29.870 28.738 0.137 0.000 1.273 167 Q HN 0.334 nan 8.270 nan 0.000 0.554 168 F N 2.097 122.067 119.950 0.033 0.000 2.438 168 F HA 0.107 4.637 4.527 0.006 0.000 0.356 168 F C 0.363 176.066 175.800 -0.161 0.000 1.099 168 F CA -0.499 57.343 58.000 -0.264 0.000 1.185 168 F CB 0.537 39.254 39.000 -0.472 0.000 1.115 168 F HN 0.307 nan 8.300 nan 0.000 0.526 169 N N 3.891 122.187 118.700 -0.674 0.000 2.439 169 N HA 0.071 4.813 4.740 0.004 0.000 0.249 169 N C 0.610 175.697 175.510 -0.705 0.000 1.003 169 N CA 0.089 52.840 53.050 -0.498 0.000 0.942 169 N CB 1.277 39.549 38.487 -0.358 0.000 1.115 169 N HN 0.771 nan 8.380 nan 0.000 0.505 170 T N -0.123 114.218 114.554 -0.354 0.000 3.085 170 T HA 0.012 4.364 4.350 0.004 0.000 0.263 170 T C 0.746 175.348 174.700 -0.164 0.000 1.127 170 T CA 0.515 62.497 62.100 -0.196 0.000 1.103 170 T CB 0.230 69.104 68.868 0.011 0.000 0.921 170 T HN 0.282 nan 8.240 nan 0.000 0.510 171 D N 1.835 122.130 120.400 -0.175 0.000 2.149 171 D HA -0.027 4.615 4.640 0.004 0.000 0.201 171 D C 2.264 178.473 176.300 -0.152 0.000 0.972 171 D CA 1.228 55.152 54.000 -0.127 0.000 0.835 171 D CB -0.039 40.699 40.800 -0.103 0.000 0.966 171 D HN 0.542 nan 8.370 nan 0.000 0.476 172 V N -2.810 116.963 119.914 -0.234 0.000 3.644 172 V HA 0.143 4.266 4.120 0.004 0.000 0.267 172 V C 0.182 176.092 176.094 -0.307 0.000 1.277 172 V CA -0.191 61.965 62.300 -0.240 0.000 1.096 172 V CB -0.043 31.635 31.823 -0.242 0.000 0.828 172 V HN -0.040 nan 8.190 nan 0.000 0.446 173 Q N 0.491 120.033 119.800 -0.429 0.000 2.464 173 Q HA -0.166 4.177 4.340 0.004 0.000 0.304 173 Q C -0.295 175.344 176.000 -0.602 0.000 1.401 173 Q CA 1.090 56.613 55.803 -0.466 0.000 0.806 173 Q CB -1.608 27.076 28.738 -0.091 0.000 1.134 173 Q HN 0.858 nan 8.270 nan 0.000 0.411 174 K N -0.114 119.731 120.400 -0.926 0.000 2.527 174 K HA 0.514 4.836 4.320 0.004 0.000 0.260 174 K C -0.948 175.395 176.600 -0.427 0.000 0.937 174 K CA -0.719 55.220 56.287 -0.581 0.000 0.826 174 K CB 1.382 33.521 32.500 -0.601 0.000 1.359 174 K HN -0.041 nan 8.250 nan 0.000 0.434 175 Y N -0.056 120.389 120.300 0.242 0.000 2.301 175 Y HA 0.301 4.853 4.550 0.004 0.000 0.325 175 Y C 1.210 177.224 175.900 0.190 0.000 1.203 175 Y CA 0.102 58.353 58.100 0.252 0.000 1.255 175 Y CB 1.203 39.852 38.460 0.314 0.000 1.232 175 Y HN 0.676 nan 8.280 nan 0.000 0.501 176 G N 1.405 110.366 108.800 0.269 0.000 2.432 176 G HA2 0.271 4.234 3.960 0.004 0.000 0.257 176 G HA3 0.271 4.234 3.960 0.004 0.000 0.257 176 G C 0.095 175.102 174.900 0.179 0.000 1.238 176 G CA -0.152 45.052 45.100 0.173 0.000 0.838 176 G HN 0.904 nan 8.290 nan 0.000 0.547 177 N N -0.958 117.828 118.700 0.143 0.000 2.999 177 N HA -0.188 4.555 4.740 0.004 0.000 0.242 177 N C -0.414 175.159 175.510 0.105 0.000 1.016 177 N CA 0.727 53.841 53.050 0.106 0.000 0.894 177 N CB -1.642 36.895 38.487 0.084 0.000 1.113 177 N HN 0.517 nan 8.380 nan 0.000 0.555 178 I N 0.647 121.304 120.570 0.145 0.000 2.474 178 I HA 0.268 4.441 4.170 0.004 0.000 0.294 178 I C 0.310 176.473 176.117 0.078 0.000 1.005 178 I CA -0.893 60.435 61.300 0.045 0.000 1.113 178 I CB 1.687 39.631 38.000 -0.094 0.000 1.289 178 I HN 0.071 nan 8.210 nan 0.000 0.436 179 E N 5.538 125.748 120.200 0.017 0.000 2.105 179 E HA 0.209 4.562 4.350 0.004 0.000 0.285 179 E C -1.723 174.894 176.600 0.028 0.000 1.055 179 E CA -0.096 56.350 56.400 0.076 0.000 0.843 179 E CB 0.319 30.062 29.700 0.072 0.000 1.067 179 E HN 0.213 nan 8.360 nan 0.000 0.398 180 Y N 4.553 124.884 120.300 0.053 0.000 2.385 180 Y HA 0.273 4.825 4.550 0.003 0.000 0.341 180 Y C 0.142 176.051 175.900 0.016 0.000 0.965 180 Y CA -0.587 57.541 58.100 0.046 0.000 1.180 180 Y CB 1.008 39.495 38.460 0.047 0.000 1.139 180 Y HN 0.412 nan 8.280 nan 0.000 0.502 181 M N 4.482 124.148 119.600 0.110 0.000 2.435 181 M HA 0.281 4.764 4.480 0.004 0.000 0.344 181 M C 0.144 176.451 176.300 0.012 0.000 1.329 181 M CA -0.136 55.176 55.300 0.021 0.000 1.320 181 M CB 0.207 32.782 32.600 -0.042 0.000 1.309 181 M HN 0.515 nan 8.290 nan 0.000 0.451 182 R N 1.685 122.198 120.500 0.022 0.000 2.501 182 R HA 0.017 4.359 4.340 0.004 0.000 0.319 182 R C -1.149 175.134 176.300 -0.029 0.000 0.913 182 R CA 0.392 56.498 56.100 0.010 0.000 1.104 182 R CB 0.101 30.403 30.300 0.003 0.000 0.901 182 R HN 0.718 nan 8.270 nan 0.000 0.407 183 C N 4.319 123.615 119.300 -0.006 0.000 2.294 183 C HA 0.367 4.830 4.460 0.004 0.000 0.319 183 C C 0.383 175.394 174.990 0.035 0.000 1.164 183 C CA -0.706 58.324 59.018 0.020 0.000 1.497 183 C CB 0.261 28.035 27.740 0.058 0.000 2.061 183 C HN 0.849 nan 8.230 nan 0.000 0.438 184 T N 0.310 114.732 114.554 -0.220 0.000 2.942 184 T HA 0.503 4.856 4.350 0.004 0.000 0.289 184 T C -2.147 171.895 174.700 -1.096 0.000 1.044 184 T CA -1.710 60.128 62.100 -0.438 0.000 1.023 184 T CB 1.741 70.475 68.868 -0.223 0.000 1.123 184 T HN 0.132 nan 8.240 nan 0.000 0.512 185 P HA -0.051 nan 4.420 nan 0.000 0.218 185 P C 0.859 177.864 177.300 -0.492 0.000 1.148 185 P CA 1.061 63.550 63.100 -1.018 0.000 0.822 185 P CB 0.010 31.359 31.700 -0.585 0.000 0.784 186 E N -0.793 119.218 120.200 -0.316 0.000 2.482 186 E HA -0.062 4.291 4.350 0.004 0.000 0.196 186 E C 0.684 177.203 176.600 -0.135 0.000 1.047 186 E CA 0.555 56.861 56.400 -0.156 0.000 0.869 186 E CB -0.710 28.932 29.700 -0.097 0.000 0.836 186 E HN 0.447 nan 8.360 nan 0.000 0.520 187 N N -1.217 117.367 118.700 -0.193 0.000 2.365 187 N HA 0.149 4.891 4.740 0.004 0.000 0.257 187 N C 0.663 176.137 175.510 -0.061 0.000 1.287 187 N CA 0.174 53.170 53.050 -0.090 0.000 0.882 187 N CB 0.426 38.880 38.487 -0.055 0.000 1.250 187 N HN 0.019 nan 8.380 nan 0.000 0.507 188 G N 0.292 109.007 108.800 -0.142 0.000 2.225 188 G HA2 -0.344 3.618 3.960 0.004 0.000 0.267 188 G HA3 -0.344 3.618 3.960 0.004 0.000 0.267 188 G C 0.067 175.015 174.900 0.080 0.000 1.024 188 G CA 0.168 45.245 45.100 -0.037 0.000 0.784 188 G HN 0.365 nan 8.290 nan 0.000 0.507 189 F N -3.211 116.746 119.950 0.012 0.000 3.093 189 F HA -0.157 4.372 4.527 0.005 0.000 0.287 189 F C 0.572 176.423 175.800 0.086 0.000 0.882 189 F CA 1.259 59.242 58.000 -0.027 0.000 1.063 189 F CB -1.989 36.959 39.000 -0.086 0.000 1.097 189 F HN 0.578 nan 8.300 nan 0.000 0.604 190 F N 2.906 122.905 119.950 0.082 0.000 2.529 190 F HA 0.696 5.225 4.527 0.004 0.000 0.320 190 F C -2.423 173.409 175.800 0.054 0.000 1.118 190 F CA -2.735 55.334 58.000 0.115 0.000 0.915 190 F CB 1.652 40.721 39.000 0.114 0.000 1.161 190 F HN -0.277 nan 8.300 nan 0.000 0.445 191 P HA 0.061 nan 4.420 nan 0.000 0.274 191 P C -1.106 176.006 177.300 -0.313 0.000 1.246 191 P CA -0.177 62.692 63.100 -0.386 0.000 0.795 191 P CB 0.807 32.279 31.700 -0.380 0.000 1.006 192 D N 1.356 121.664 120.400 -0.153 0.000 2.402 192 D HA 0.059 4.702 4.640 0.004 0.000 0.235 192 D C 1.041 177.255 176.300 -0.143 0.000 1.226 192 D CA -0.029 53.921 54.000 -0.084 0.000 0.918 192 D CB -0.419 40.359 40.800 -0.037 0.000 1.043 192 D HN 0.202 nan 8.370 nan 0.000 0.506 193 L N 2.692 123.799 121.223 -0.193 0.000 2.633 193 L HA -0.098 4.244 4.340 0.004 0.000 0.235 193 L C 2.137 178.925 176.870 -0.137 0.000 1.163 193 L CA 0.583 55.209 54.840 -0.356 0.000 0.859 193 L CB -0.342 41.401 42.059 -0.526 0.000 0.973 193 L HN 0.370 nan 8.230 nan 0.000 0.451 194 S N -2.186 113.500 115.700 -0.023 0.000 2.527 194 S HA -0.074 4.399 4.470 0.004 0.000 0.222 194 S C 1.669 176.299 174.600 0.049 0.000 0.985 194 S CA 0.686 58.917 58.200 0.051 0.000 0.921 194 S CB -0.291 62.935 63.200 0.043 0.000 0.772 194 S HN 0.495 nan 8.310 nan 0.000 0.529 195 T N -0.828 113.734 114.554 0.013 0.000 3.092 195 T HA 0.409 4.761 4.350 0.004 0.000 0.258 195 T C 0.113 174.832 174.700 0.031 0.000 1.031 195 T CA -0.340 61.773 62.100 0.021 0.000 0.925 195 T CB -0.035 68.835 68.868 0.002 0.000 1.036 195 T HN 0.122 nan 8.240 nan 0.000 0.544 196 V N 2.160 122.094 119.914 0.033 0.000 2.406 196 V HA 0.674 4.797 4.120 0.004 0.000 0.272 196 V C 1.147 177.381 176.094 0.233 0.000 1.043 196 V CA -0.938 61.410 62.300 0.078 0.000 0.915 196 V CB 0.859 32.640 31.823 -0.070 0.000 0.988 196 V HN 0.546 nan 8.190 nan 0.000 0.466 197 G N 3.859 112.756 108.800 0.162 0.000 2.442 197 G HA2 0.268 4.231 3.960 0.004 0.000 0.249 197 G HA3 0.268 4.231 3.960 0.004 0.000 0.249 197 G C 0.153 175.138 174.900 0.142 0.000 1.263 197 G CA -0.448 44.731 45.100 0.131 0.000 0.846 197 G HN 0.632 nan 8.290 nan 0.000 0.555 198 R N 0.488 121.024 120.500 0.061 0.000 2.583 198 R HA 0.122 4.465 4.340 0.004 0.000 0.274 198 R C 0.301 176.605 176.300 0.007 0.000 0.998 198 R CA 1.005 57.094 56.100 -0.017 0.000 1.081 198 R CB 0.026 30.284 30.300 -0.069 0.000 0.940 198 R HN 0.728 nan 8.270 nan 0.000 0.413 199 T N -0.908 113.642 114.554 -0.007 0.000 2.812 199 T HA 0.228 4.581 4.350 0.004 0.000 0.294 199 T C 0.333 174.998 174.700 -0.059 0.000 1.159 199 T CA -0.967 61.123 62.100 -0.016 0.000 1.008 199 T CB 1.427 70.299 68.868 0.007 0.000 1.289 199 T HN 0.410 nan 8.240 nan 0.000 0.514 200 D N 0.054 120.406 120.400 -0.080 0.000 2.123 200 D HA 0.098 4.741 4.640 0.004 0.000 0.200 200 D C 0.688 176.863 176.300 -0.207 0.000 0.976 200 D CA 1.188 55.111 54.000 -0.127 0.000 0.831 200 D CB 0.132 40.853 40.800 -0.131 0.000 0.974 200 D HN 0.430 nan 8.370 nan 0.000 0.469 201 I N 0.885 121.315 120.570 -0.234 0.000 2.569 201 I HA 0.368 4.541 4.170 0.004 0.000 0.296 201 I C -0.194 175.798 176.117 -0.209 0.000 1.028 201 I CA -0.721 60.364 61.300 -0.358 0.000 1.082 201 I CB 2.099 39.751 38.000 -0.579 0.000 1.264 201 I HN -0.215 nan 8.210 nan 0.000 0.429 202 I N 5.152 125.579 120.570 -0.237 0.000 2.439 202 I HA 0.310 4.482 4.170 0.004 0.000 0.283 202 I C -0.840 175.166 176.117 -0.185 0.000 1.023 202 I CA -0.360 60.892 61.300 -0.080 0.000 1.100 202 I CB 1.360 39.382 38.000 0.037 0.000 1.238 202 I HN 0.236 nan 8.210 nan 0.000 0.445 203 F N 6.249 126.132 119.950 -0.111 0.000 2.424 203 F HA 0.371 4.901 4.527 0.004 0.000 0.356 203 F C -0.205 175.512 175.800 -0.138 0.000 1.110 203 F CA -0.100 57.738 58.000 -0.270 0.000 1.161 203 F CB 0.671 39.285 39.000 -0.643 0.000 1.115 203 F HN 0.277 nan 8.300 nan 0.000 0.507 204 F N 4.162 124.045 119.950 -0.111 0.000 2.536 204 F HA 0.450 4.979 4.527 0.004 0.000 0.322 204 F C -0.868 174.805 175.800 -0.212 0.000 1.144 204 F CA -1.049 56.906 58.000 -0.075 0.000 0.924 204 F CB 0.917 39.945 39.000 0.046 0.000 1.181 204 F HN 0.426 nan 8.300 nan 0.000 0.438 205 C N 4.796 123.835 119.300 -0.435 0.000 2.273 205 C HA 0.789 5.251 4.460 0.004 0.000 0.328 205 C C -0.445 174.293 174.990 -0.419 0.000 1.275 205 C CA -0.050 58.770 59.018 -0.329 0.000 1.704 205 C CB -0.351 27.330 27.740 -0.099 0.000 2.326 205 C HN 0.766 nan 8.230 nan 0.000 0.517 206 S N 6.782 122.286 115.700 -0.326 0.000 2.720 206 S HA 0.529 5.001 4.470 0.004 0.000 0.278 206 S C -2.894 171.706 174.600 0.001 0.000 1.172 206 S CA -0.608 57.542 58.200 -0.083 0.000 1.019 206 S CB 1.465 64.797 63.200 0.221 0.000 1.049 206 S HN 0.650 nan 8.310 nan 0.000 0.483 207 P HA 0.150 nan 4.420 nan 0.000 0.268 207 P C -0.588 176.666 177.300 -0.076 0.000 1.205 207 P CA -0.158 62.940 63.100 -0.004 0.000 0.771 207 P CB 0.299 31.991 31.700 -0.013 0.000 0.858 208 N N 2.479 121.067 118.700 -0.187 0.000 2.513 208 N HA 0.033 4.775 4.740 0.004 0.000 0.268 208 N C -0.185 175.173 175.510 -0.254 0.000 1.180 208 N CA 0.091 52.980 53.050 -0.269 0.000 0.948 208 N CB 0.018 38.265 38.487 -0.400 0.000 1.083 208 N HN 0.235 nan 8.380 nan 0.000 0.455 209 N N 3.233 121.777 118.700 -0.261 0.000 2.437 209 N HA 0.347 5.090 4.740 0.004 0.000 0.259 209 N C -2.254 172.863 175.510 -0.654 0.000 0.983 209 N CA -2.109 50.653 53.050 -0.479 0.000 0.937 209 N CB 1.522 39.870 38.487 -0.232 0.000 1.122 209 N HN 0.434 nan 8.380 nan 0.000 0.499 210 P HA 0.118 nan 4.420 nan 0.000 0.272 210 P C 0.817 177.348 177.300 -1.282 0.000 1.276 210 P CA 0.338 62.529 63.100 -1.514 0.000 0.871 210 P CB 0.310 30.695 31.700 -2.192 0.000 1.313 211 T N -4.372 109.370 114.554 -1.353 0.000 3.043 211 T HA 0.235 4.588 4.350 0.004 0.000 0.263 211 T C 1.670 175.929 174.700 -0.735 0.000 1.094 211 T CA 1.217 62.400 62.100 -1.528 0.000 1.127 211 T CB -1.102 66.659 68.868 -1.846 0.000 0.905 211 T HN 0.173 nan 8.240 nan 0.000 0.490 212 G N 1.297 109.841 108.800 -0.426 0.000 2.176 212 G HA2 -0.070 3.893 3.960 0.004 0.000 0.253 212 G HA3 -0.070 3.893 3.960 0.004 0.000 0.253 212 G C 0.290 175.015 174.900 -0.292 0.000 0.979 212 G CA 0.018 44.914 45.100 -0.340 0.000 0.641 212 G HN 1.269 nan 8.290 nan 0.000 0.530 213 A N 0.087 122.708 122.820 -0.331 0.000 2.409 213 A HA 0.812 5.134 4.320 0.004 0.000 0.262 213 A C 0.645 178.200 177.584 -0.050 0.000 1.113 213 A CA 1.027 52.977 52.037 -0.144 0.000 0.790 213 A CB 0.651 19.581 19.000 -0.116 0.000 1.046 213 A HN 2.058 nan 8.150 nan 0.000 0.496 214 A N 2.358 125.199 122.820 0.034 0.000 2.303 214 A HA 0.725 5.047 4.320 0.004 0.000 0.320 214 A C 0.446 178.119 177.584 0.150 0.000 1.192 214 A CA 0.051 52.143 52.037 0.091 0.000 0.821 214 A CB 0.663 19.708 19.000 0.075 0.000 1.188 214 A HN 1.994 nan 8.150 nan 0.000 0.492 215 A N 1.940 124.908 122.820 0.246 0.000 2.351 215 A HA 0.619 4.942 4.320 0.004 0.000 0.257 215 A C 0.701 178.328 177.584 0.072 0.000 1.087 215 A CA 0.047 52.201 52.037 0.194 0.000 0.798 215 A CB 0.079 19.268 19.000 0.316 0.000 1.033 215 A HN 0.788 nan 8.150 nan 0.000 0.488 216 T N 0.056 114.580 114.554 -0.050 0.000 2.899 216 T HA 0.234 4.587 4.350 0.004 0.000 0.284 216 T C 1.715 176.357 174.700 -0.097 0.000 1.004 216 T CA -0.363 61.695 62.100 -0.069 0.000 1.043 216 T CB 0.783 69.581 68.868 -0.115 0.000 1.013 216 T HN 0.702 nan 8.240 nan 0.000 0.518 217 R N 0.766 121.227 120.500 -0.066 0.000 2.096 217 R HA -0.157 4.186 4.340 0.004 0.000 0.240 217 R C 2.051 178.286 176.300 -0.108 0.000 1.139 217 R CA 1.914 57.971 56.100 -0.071 0.000 0.952 217 R CB -0.147 30.128 30.300 -0.042 0.000 0.854 217 R HN 0.570 nan 8.270 nan 0.000 0.436 218 E N 0.651 120.779 120.200 -0.121 0.000 2.077 218 E HA -0.198 4.154 4.350 0.004 0.000 0.193 218 E C 1.921 178.386 176.600 -0.225 0.000 0.989 218 E CA 1.698 58.016 56.400 -0.136 0.000 0.800 218 E CB -0.080 29.553 29.700 -0.113 0.000 0.746 218 E HN 0.408 nan 8.360 nan 0.000 0.452 219 Q N -0.609 118.961 119.800 -0.384 0.000 2.045 219 Q HA -0.182 4.161 4.340 0.004 0.000 0.206 219 Q C 2.037 177.720 176.000 -0.529 0.000 0.991 219 Q CA 1.532 56.840 55.803 -0.827 0.000 0.851 219 Q CB -0.229 27.712 28.738 -1.328 0.000 0.911 219 Q HN 0.232 nan 8.270 nan 0.000 0.418 220 L N 0.211 121.246 121.223 -0.313 0.000 2.093 220 L HA -0.137 4.206 4.340 0.004 0.000 0.208 220 L C 2.273 179.058 176.870 -0.143 0.000 1.085 220 L CA 1.757 56.477 54.840 -0.200 0.000 0.755 220 L CB -1.093 40.875 42.059 -0.152 0.000 0.904 220 L HN 0.237 nan 8.230 nan 0.000 0.435 221 T N -0.788 113.692 114.554 -0.124 0.000 2.635 221 T HA -0.290 4.062 4.350 0.004 0.000 0.267 221 T C 1.831 176.509 174.700 -0.037 0.000 1.040 221 T CA 1.724 63.779 62.100 -0.075 0.000 1.156 221 T CB -0.185 68.644 68.868 -0.065 0.000 0.863 221 T HN 0.429 nan 8.240 nan 0.000 0.430 222 Q N 0.139 119.919 119.800 -0.034 0.000 2.096 222 Q HA -0.097 4.246 4.340 0.004 0.000 0.204 222 Q C 2.387 178.446 176.000 0.099 0.000 0.982 222 Q CA 1.171 57.002 55.803 0.047 0.000 0.850 222 Q CB -0.418 28.368 28.738 0.080 0.000 0.901 222 Q HN 0.339 nan 8.270 nan 0.000 0.422 223 L N 0.266 121.530 121.223 0.067 0.000 1.989 223 L HA -0.193 4.150 4.340 0.004 0.000 0.211 223 L C 2.192 179.093 176.870 0.052 0.000 1.071 223 L CA 1.487 56.343 54.840 0.027 0.000 0.749 223 L CB -0.507 41.462 42.059 -0.149 0.000 0.890 223 L HN 0.002 nan 8.230 nan 0.000 0.431 224 V N -0.419 119.487 119.914 -0.012 0.000 2.287 224 V HA -0.344 3.779 4.120 0.004 0.000 0.248 224 V C 2.534 178.646 176.094 0.029 0.000 1.053 224 V CA 2.159 64.451 62.300 -0.012 0.000 1.027 224 V CB -0.674 31.120 31.823 -0.048 0.000 0.646 224 V HN 0.504 nan 8.190 nan 0.000 0.447 225 E N -0.744 119.486 120.200 0.051 0.000 2.058 225 E HA -0.244 4.108 4.350 0.004 0.000 0.194 225 E C 1.963 178.615 176.600 0.086 0.000 0.997 225 E CA 1.734 58.169 56.400 0.057 0.000 0.801 225 E CB -0.277 29.460 29.700 0.061 0.000 0.746 225 E HN 0.580 nan 8.360 nan 0.000 0.450 226 F N 1.002 120.941 119.950 -0.018 0.000 2.065 226 F HA -0.272 4.256 4.527 0.002 0.000 0.298 226 F C 2.108 177.890 175.800 -0.030 0.000 1.112 226 F CA 1.765 59.755 58.000 -0.018 0.000 1.212 226 F CB -0.525 38.467 39.000 -0.013 0.000 0.975 226 F HN 0.022 nan 8.300 nan 0.000 0.476 227 A N -0.146 122.719 122.820 0.076 0.000 1.902 227 A HA -0.261 4.062 4.320 0.004 0.000 0.217 227 A C 2.263 179.788 177.584 -0.099 0.000 1.181 227 A CA 1.999 54.010 52.037 -0.044 0.000 0.623 227 A CB -0.895 18.112 19.000 0.011 0.000 0.818 227 A HN 0.499 nan 8.150 nan 0.000 0.443 228 K N 0.125 120.491 120.400 -0.057 0.000 2.057 228 K HA -0.186 4.137 4.320 0.004 0.000 0.207 228 K C 2.179 178.728 176.600 -0.085 0.000 1.049 228 K CA 1.803 58.056 56.287 -0.056 0.000 0.931 228 K CB -0.189 32.294 32.500 -0.028 0.000 0.714 228 K HN 0.479 nan 8.250 nan 0.000 0.440 229 K N 0.133 120.466 120.400 -0.113 0.000 2.057 229 K HA -0.134 4.189 4.320 0.004 0.000 0.206 229 K C 1.224 177.716 176.600 -0.179 0.000 1.050 229 K CA 1.682 57.890 56.287 -0.131 0.000 0.935 229 K CB -0.047 32.378 32.500 -0.124 0.000 0.715 229 K HN 0.114 nan 8.250 nan 0.000 0.439 230 N N 0.164 118.693 118.700 -0.286 0.000 2.467 230 N HA 0.032 4.775 4.740 0.004 0.000 0.184 230 N C 0.298 175.702 175.510 -0.176 0.000 1.106 230 N CA 1.010 53.889 53.050 -0.286 0.000 0.892 230 N CB 0.477 38.673 38.487 -0.484 0.000 0.969 230 N HN 0.487 nan 8.380 nan 0.000 0.454 231 G N 0.504 109.222 108.800 -0.138 0.000 2.323 231 G HA2 -0.266 3.697 3.960 0.004 0.000 0.292 231 G HA3 -0.266 3.697 3.960 0.004 0.000 0.292 231 G C -0.290 174.557 174.900 -0.088 0.000 1.040 231 G CA 0.468 45.515 45.100 -0.087 0.000 0.942 231 G HN 0.284 nan 8.290 nan 0.000 0.506 232 S N -0.898 114.735 115.700 -0.111 0.000 2.617 232 S HA 0.682 5.154 4.470 0.004 0.000 0.283 232 S C 0.604 175.140 174.600 -0.107 0.000 1.189 232 S CA -0.579 57.554 58.200 -0.111 0.000 1.036 232 S CB 1.621 64.760 63.200 -0.102 0.000 1.014 232 S HN 0.381 nan 8.310 nan 0.000 0.522 233 I N 2.235 122.714 120.570 -0.151 0.000 2.342 233 I HA 0.280 4.453 4.170 0.004 0.000 0.291 233 I C -0.420 175.588 176.117 -0.182 0.000 1.010 233 I CA -0.173 61.030 61.300 -0.162 0.000 1.308 233 I CB 0.577 38.449 38.000 -0.212 0.000 1.400 233 I HN 0.444 nan 8.210 nan 0.000 0.488 234 I N 6.867 127.363 120.570 -0.124 0.000 2.365 234 I HA 0.223 4.395 4.170 0.004 0.000 0.291 234 I C -0.390 175.647 176.117 -0.134 0.000 1.004 234 I CA -0.632 60.601 61.300 -0.112 0.000 1.311 234 I CB 1.263 39.235 38.000 -0.046 0.000 1.401 234 I HN 0.176 nan 8.210 nan 0.000 0.491 235 V N 7.179 126.951 119.914 -0.237 0.000 2.311 235 V HA 0.180 4.303 4.120 0.004 0.000 0.275 235 V C -0.649 175.424 176.094 -0.034 0.000 1.022 235 V CA -0.643 61.533 62.300 -0.207 0.000 0.830 235 V CB 0.710 32.253 31.823 -0.466 0.000 1.012 235 V HN 0.453 nan 8.190 nan 0.000 0.452 236 Y N 3.684 123.928 120.300 -0.093 0.000 2.341 236 Y HA 0.493 5.046 4.550 0.004 0.000 0.340 236 Y C 0.046 175.946 175.900 -0.000 0.000 0.997 236 Y CA -0.617 57.473 58.100 -0.016 0.000 1.149 236 Y CB 1.265 39.674 38.460 -0.086 0.000 1.171 236 Y HN 0.640 nan 8.280 nan 0.000 0.494 237 D N 3.510 123.698 120.400 -0.353 0.000 2.454 237 D HA 0.121 4.764 4.640 0.004 0.000 0.225 237 D C 0.052 176.148 176.300 -0.341 0.000 1.081 237 D CA -0.121 53.743 54.000 -0.228 0.000 0.864 237 D CB 0.955 41.722 40.800 -0.054 0.000 1.040 237 D HN 0.586 nan 8.370 nan 0.000 0.517 238 S N 2.131 117.724 115.700 -0.178 0.000 2.614 238 S HA 0.231 4.703 4.470 0.004 0.000 0.230 238 S C 1.885 176.446 174.600 -0.065 0.000 0.952 238 S CA 0.142 58.321 58.200 -0.035 0.000 0.949 238 S CB 0.386 63.706 63.200 0.200 0.000 0.786 238 S HN 0.391 nan 8.310 nan 0.000 0.478 239 A N 1.536 124.215 122.820 -0.236 0.000 1.944 239 A HA -0.216 4.106 4.320 0.004 0.000 0.222 239 A C 1.543 178.885 177.584 -0.402 0.000 1.237 239 A CA 1.921 53.682 52.037 -0.460 0.000 0.668 239 A CB -1.177 17.465 19.000 -0.596 0.000 0.830 239 A HN 0.714 nan 8.150 nan 0.000 0.471 240 Y N -1.092 119.277 120.300 0.115 0.000 2.468 240 Y HA 0.442 4.994 4.550 0.004 0.000 0.268 240 Y C 2.267 178.365 175.900 0.330 0.000 1.177 240 Y CA -0.111 58.147 58.100 0.263 0.000 1.265 240 Y CB -0.296 38.203 38.460 0.064 0.000 1.103 240 Y HN 0.338 nan 8.280 nan 0.000 0.522 241 A N -0.331 122.687 122.820 0.330 0.000 2.119 241 A HA -0.098 4.224 4.320 0.004 0.000 0.217 241 A C 1.959 179.599 177.584 0.094 0.000 1.153 241 A CA 1.006 53.165 52.037 0.203 0.000 0.692 241 A CB -0.312 18.790 19.000 0.171 0.000 0.799 241 A HN 0.221 nan 8.150 nan 0.000 0.458 242 M N -1.356 118.204 119.600 -0.067 0.000 2.549 242 M HA -0.007 4.475 4.480 0.004 0.000 0.260 242 M C 0.856 177.026 176.300 -0.215 0.000 1.076 242 M CA 0.701 55.830 55.300 -0.284 0.000 1.090 242 M CB -1.356 30.776 32.600 -0.781 0.000 1.418 242 M HN 0.572 nan 8.290 nan 0.000 0.486 243 Y N -1.015 119.320 120.300 0.059 0.000 2.490 243 Y HA 0.135 4.688 4.550 0.004 0.000 0.281 243 Y C 0.975 176.884 175.900 0.014 0.000 1.174 243 Y CA -0.517 57.612 58.100 0.049 0.000 1.295 243 Y CB -0.369 38.123 38.460 0.054 0.000 1.062 243 Y HN 0.080 nan 8.280 nan 0.000 0.522 244 M N 0.014 119.692 119.600 0.130 0.000 2.336 244 M HA -0.121 4.361 4.480 0.004 0.000 0.371 244 M C 1.104 177.439 176.300 0.058 0.000 1.542 244 M CA 0.717 56.069 55.300 0.087 0.000 0.959 244 M CB 0.479 33.125 32.600 0.076 0.000 2.033 244 M HN 0.033 nan 8.290 nan 0.000 0.472 245 S N 1.718 117.448 115.700 0.050 0.000 2.506 245 S HA 0.123 4.595 4.470 0.004 0.000 0.230 245 S C -0.000 174.620 174.600 0.034 0.000 1.066 245 S CA -0.154 58.069 58.200 0.038 0.000 0.940 245 S CB 0.194 63.413 63.200 0.031 0.000 0.818 245 S HN 0.734 nan 8.310 nan 0.000 0.518 246 D N 2.283 122.704 120.400 0.035 0.000 2.368 246 D HA 0.077 4.720 4.640 0.004 0.000 0.240 246 D C -0.206 176.113 176.300 0.033 0.000 1.169 246 D CA 0.149 54.169 54.000 0.032 0.000 0.906 246 D CB 0.314 41.135 40.800 0.035 0.000 1.187 246 D HN 0.124 nan 8.370 nan 0.000 0.435 247 D N 0.598 121.014 120.400 0.026 0.000 2.671 247 D HA 0.036 4.678 4.640 0.004 0.000 0.228 247 D C -0.930 175.384 176.300 0.023 0.000 1.102 247 D CA -0.131 53.883 54.000 0.023 0.000 1.044 247 D CB -0.809 40.001 40.800 0.016 0.000 1.113 247 D HN 0.221 nan 8.370 nan 0.000 0.480 248 N N 1.545 120.266 118.700 0.035 0.000 2.312 248 N HA 0.489 5.232 4.740 0.004 0.000 0.296 248 N C -2.629 172.913 175.510 0.052 0.000 1.193 248 N CA -1.867 51.207 53.050 0.040 0.000 0.773 248 N CB 1.594 40.115 38.487 0.057 0.000 1.435 248 N HN 0.042 nan 8.380 nan 0.000 0.484 249 P HA 0.145 nan 4.420 nan 0.000 0.269 249 P C -0.144 177.221 177.300 0.108 0.000 1.209 249 P CA -0.037 63.096 63.100 0.055 0.000 0.776 249 P CB 0.932 32.639 31.700 0.013 0.000 0.876 250 R N 0.012 120.579 120.500 0.111 0.000 2.254 250 R HA 0.183 4.526 4.340 0.004 0.000 0.195 250 R C 0.713 177.146 176.300 0.221 0.000 0.957 250 R CA 0.467 56.661 56.100 0.157 0.000 1.024 250 R CB 0.290 30.657 30.300 0.111 0.000 0.952 250 R HN 0.420 nan 8.270 nan 0.000 0.484 251 S N -0.854 114.929 115.700 0.139 0.000 2.542 251 S HA 0.229 4.702 4.470 0.004 0.000 0.293 251 S C 0.418 174.861 174.600 -0.261 0.000 1.089 251 S CA -0.749 57.505 58.200 0.090 0.000 0.961 251 S CB 1.469 64.849 63.200 0.300 0.000 1.062 251 S HN 0.070 nan 8.310 nan 0.000 0.483 252 I N 3.203 123.304 120.570 -0.782 0.000 2.614 252 I HA 0.153 4.326 4.170 0.004 0.000 0.258 252 I C 0.832 176.654 176.117 -0.491 0.000 1.189 252 I CA 1.215 61.961 61.300 -0.924 0.000 1.462 252 I CB -0.380 36.851 38.000 -1.282 0.000 1.092 252 I HN 0.715 nan 8.210 nan 0.000 0.442 253 F N 0.629 120.531 119.950 -0.081 0.000 2.802 253 F HA 0.039 4.569 4.527 0.005 0.000 0.300 253 F C 2.177 177.977 175.800 0.000 0.000 1.168 253 F CA 0.458 58.449 58.000 -0.014 0.000 1.433 253 F CB -0.856 38.178 39.000 0.057 0.000 1.115 253 F HN 0.181 nan 8.300 nan 0.000 0.582 254 E N -0.040 120.220 120.200 0.100 0.000 2.285 254 E HA -0.054 4.299 4.350 0.004 0.000 0.194 254 E C 0.391 176.997 176.600 0.010 0.000 0.997 254 E CA 0.345 56.778 56.400 0.054 0.000 0.845 254 E CB 0.191 29.907 29.700 0.026 0.000 0.782 254 E HN 0.130 nan 8.360 nan 0.000 0.491 255 I N 3.365 123.918 120.570 -0.029 0.000 2.308 255 I HA 0.136 4.309 4.170 0.004 0.000 0.293 255 I C -2.268 173.846 176.117 -0.006 0.000 1.078 255 I CA -3.305 57.970 61.300 -0.041 0.000 1.292 255 I CB -0.185 37.759 38.000 -0.093 0.000 1.423 255 I HN -0.249 nan 8.210 nan 0.000 0.493 256 P HA 0.149 nan 4.420 nan 0.000 0.264 256 P C 0.979 178.284 177.300 0.009 0.000 1.183 256 P CA 0.564 63.673 63.100 0.014 0.000 0.763 256 P CB 0.646 32.350 31.700 0.007 0.000 0.807 257 G N 2.285 111.096 108.800 0.019 0.000 2.195 257 G HA2 -0.321 3.641 3.960 0.004 0.000 0.246 257 G HA3 -0.321 3.641 3.960 0.004 0.000 0.246 257 G C 1.152 176.064 174.900 0.020 0.000 0.984 257 G CA 0.442 45.550 45.100 0.013 0.000 0.633 257 G HN 0.699 nan 8.290 nan 0.000 0.525 258 A N 1.003 123.843 122.820 0.034 0.000 2.019 258 A HA 0.098 4.420 4.320 0.004 0.000 0.219 258 A C 2.121 179.792 177.584 0.145 0.000 1.164 258 A CA 2.167 54.226 52.037 0.036 0.000 0.644 258 A CB -0.348 18.643 19.000 -0.015 0.000 0.805 258 A HN 0.944 nan 8.150 nan 0.000 0.449 259 E N 0.691 120.990 120.200 0.165 0.000 2.338 259 E HA -0.191 4.162 4.350 0.004 0.000 0.197 259 E C 0.949 177.585 176.600 0.060 0.000 1.007 259 E CA 1.377 57.856 56.400 0.132 0.000 0.849 259 E CB -0.383 29.340 29.700 0.038 0.000 0.774 259 E HN 0.785 nan 8.360 nan 0.000 0.506 260 E N 0.417 120.638 120.200 0.035 0.000 2.472 260 E HA 0.026 4.379 4.350 0.004 0.000 0.196 260 E C 1.470 178.066 176.600 -0.008 0.000 1.033 260 E CA 0.688 57.091 56.400 0.005 0.000 0.886 260 E CB 0.912 30.610 29.700 -0.004 0.000 0.944 260 E HN 0.291 nan 8.360 nan 0.000 0.492 261 V N -3.971 115.942 119.914 -0.001 0.000 3.392 261 V HA 0.571 4.693 4.120 0.004 0.000 0.294 261 V C 0.144 176.217 176.094 -0.034 0.000 1.561 261 V CA -0.210 62.073 62.300 -0.028 0.000 1.056 261 V CB 0.605 32.406 31.823 -0.036 0.000 0.882 261 V HN 0.041 nan 8.190 nan 0.000 0.440 262 A N 2.140 124.961 122.820 0.001 0.000 2.435 262 A HA 0.986 5.309 4.320 0.004 0.000 0.304 262 A C -0.642 176.982 177.584 0.067 0.000 1.064 262 A CA -0.602 51.415 52.037 -0.033 0.000 0.727 262 A CB 2.011 20.907 19.000 -0.173 0.000 1.284 262 A HN 0.738 nan 8.150 nan 0.000 0.415 263 M N 0.116 119.722 119.600 0.010 0.000 2.690 263 M HA 0.840 5.323 4.480 0.004 0.000 0.302 263 M C -0.713 175.603 176.300 0.027 0.000 1.234 263 M CA -0.521 54.843 55.300 0.106 0.000 0.853 263 M CB 2.040 34.646 32.600 0.011 0.000 1.748 263 M HN 0.655 nan 8.290 nan 0.000 0.469 264 E N 0.792 121.078 120.200 0.142 0.000 2.234 264 E HA 0.519 4.872 4.350 0.004 0.000 0.266 264 E C -1.560 175.093 176.600 0.088 0.000 0.877 264 E CA -0.569 55.917 56.400 0.143 0.000 0.758 264 E CB 2.208 32.056 29.700 0.246 0.000 1.170 264 E HN 0.787 nan 8.360 nan 0.000 0.415 265 T N 1.800 116.355 114.554 0.002 0.000 2.855 265 T HA 0.823 5.176 4.350 0.004 0.000 0.281 265 T C -0.600 173.922 174.700 -0.297 0.000 1.007 265 T CA -0.597 61.418 62.100 -0.142 0.000 1.009 265 T CB 1.616 70.425 68.868 -0.099 0.000 0.983 265 T HN 0.558 nan 8.240 nan 0.000 0.455 266 A N 1.435 123.849 122.820 -0.677 0.000 2.567 266 A HA 0.938 5.261 4.320 0.004 0.000 0.289 266 A C -0.784 176.145 177.584 -1.091 0.000 1.177 266 A CA -0.848 50.630 52.037 -0.932 0.000 0.694 266 A CB 1.662 19.956 19.000 -1.176 0.000 1.292 266 A HN 0.786 nan 8.150 nan 0.000 0.425 267 S N -1.703 113.338 115.700 -1.098 0.000 2.541 267 S HA 0.628 5.100 4.470 0.004 0.000 0.271 267 S C -0.744 173.326 174.600 -0.882 0.000 1.133 267 S CA -0.393 57.347 58.200 -0.768 0.000 0.876 267 S CB 0.768 63.640 63.200 -0.546 0.000 1.105 267 S HN 0.627 nan 8.310 nan 0.000 0.470 268 F N 2.141 121.883 119.950 -0.346 0.000 2.615 268 F HA 0.124 4.654 4.527 0.005 0.000 0.297 268 F C 2.512 178.103 175.800 -0.349 0.000 1.124 268 F CA 0.671 58.461 58.000 -0.350 0.000 1.451 268 F CB -0.139 38.722 39.000 -0.232 0.000 1.103 268 F HN 0.571 nan 8.300 nan 0.000 0.569 269 S N -0.001 115.650 115.700 -0.081 0.000 2.380 269 S HA -0.220 4.253 4.470 0.004 0.000 0.229 269 S C 2.057 176.611 174.600 -0.078 0.000 1.043 269 S CA 1.391 59.574 58.200 -0.028 0.000 1.038 269 S CB -0.162 62.984 63.200 -0.089 0.000 0.872 269 S HN 0.231 nan 8.310 nan 0.000 0.456 270 K N 0.013 120.305 120.400 -0.180 0.000 2.262 270 K HA 0.118 4.441 4.320 0.004 0.000 0.200 270 K C 1.714 178.570 176.600 0.426 0.000 1.049 270 K CA 0.801 57.140 56.287 0.087 0.000 0.979 270 K CB -0.301 32.248 32.500 0.083 0.000 0.773 270 K HN 0.476 nan 8.250 nan 0.000 0.474 271 Y N 0.071 120.484 120.300 0.187 0.000 2.262 271 Y HA 0.195 4.747 4.550 0.004 0.000 0.295 271 Y C 2.126 178.133 175.900 0.178 0.000 1.121 271 Y CA 0.241 58.446 58.100 0.175 0.000 1.144 271 Y CB -0.923 37.611 38.460 0.123 0.000 1.043 271 Y HN -0.048 nan 8.280 nan 0.000 0.528 272 A N -0.680 122.289 122.820 0.250 0.000 2.303 272 A HA 0.494 4.816 4.320 0.004 0.000 0.217 272 A C 1.886 179.578 177.584 0.180 0.000 1.205 272 A CA 0.620 52.695 52.037 0.063 0.000 0.875 272 A CB -0.727 17.988 19.000 -0.474 0.000 0.910 272 A HN 0.604 nan 8.150 nan 0.000 0.501 273 G N -1.372 107.559 108.800 0.219 0.000 2.147 273 G HA2 -0.244 3.719 3.960 0.004 0.000 0.244 273 G HA3 -0.244 3.719 3.960 0.004 0.000 0.244 273 G C 0.122 175.218 174.900 0.328 0.000 1.005 273 G CA 0.245 45.481 45.100 0.226 0.000 0.713 273 G HN 0.318 nan 8.290 nan 0.000 0.515 274 F N 2.218 122.200 119.950 0.054 0.000 2.726 274 F HA 0.157 4.687 4.527 0.004 0.000 0.296 274 F C 2.497 178.301 175.800 0.005 0.000 1.250 274 F CA 0.628 58.653 58.000 0.042 0.000 1.434 274 F CB -0.774 38.279 39.000 0.088 0.000 1.043 274 F HN 0.324 nan 8.300 nan 0.000 0.508 275 T N -3.772 110.858 114.554 0.127 0.000 2.821 275 T HA -0.070 4.282 4.350 0.004 0.000 0.267 275 T C 2.305 177.013 174.700 0.015 0.000 1.046 275 T CA 1.294 63.408 62.100 0.024 0.000 1.139 275 T CB -0.479 68.353 68.868 -0.061 0.000 0.871 275 T HN 0.329 nan 8.240 nan 0.000 0.454 276 G N 0.171 108.974 108.800 0.006 0.000 2.838 276 G HA2 0.224 4.187 3.960 0.004 0.000 0.210 276 G HA3 0.224 4.187 3.960 0.004 0.000 0.210 276 G C 1.425 176.297 174.900 -0.047 0.000 1.153 276 G CA 0.352 45.444 45.100 -0.014 0.000 0.778 276 G HN 0.477 nan 8.290 nan 0.000 0.539 277 V N -0.056 119.803 119.914 -0.091 0.000 2.500 277 V HA 0.190 4.313 4.120 0.004 0.000 0.243 277 V C 0.882 176.895 176.094 -0.135 0.000 1.039 277 V CA 0.294 62.444 62.300 -0.250 0.000 1.053 277 V CB -0.443 30.944 31.823 -0.726 0.000 0.695 277 V HN 0.419 nan 8.190 nan 0.000 0.463 278 R N -0.336 120.189 120.500 0.041 0.000 2.154 278 R HA -0.049 4.293 4.340 0.004 0.000 0.366 278 R C -1.237 175.193 176.300 0.216 0.000 1.051 278 R CA 0.214 56.386 56.100 0.121 0.000 0.678 278 R CB -1.758 28.586 30.300 0.074 0.000 2.221 278 R HN 0.429 nan 8.270 nan 0.000 0.470 279 L N 0.276 121.697 121.223 0.331 0.000 2.565 279 L HA 0.784 5.126 4.340 0.004 0.000 0.261 279 L C 0.175 177.265 176.870 0.367 0.000 0.932 279 L CA 0.028 55.109 54.840 0.402 0.000 0.878 279 L CB 2.257 44.644 42.059 0.546 0.000 1.333 279 L HN 0.639 nan 8.230 nan 0.000 0.409 280 G N 1.607 110.591 108.800 0.305 0.000 2.947 280 G HA2 0.727 4.690 3.960 0.004 0.000 0.293 280 G HA3 0.727 4.690 3.960 0.004 0.000 0.293 280 G C -2.291 172.836 174.900 0.378 0.000 1.243 280 G CA 0.027 45.213 45.100 0.143 0.000 0.802 280 G HN 0.971 nan 8.290 nan 0.000 0.560 281 W N -1.653 119.705 121.300 0.096 0.000 3.057 281 W HA 0.665 5.328 4.660 0.004 0.000 0.328 281 W C -1.038 175.566 176.519 0.141 0.000 1.232 281 W CA -0.561 56.886 57.345 0.169 0.000 1.187 281 W CB 0.933 30.511 29.460 0.197 0.000 1.417 281 W HN 0.993 nan 8.180 nan 0.000 0.569 282 T N 0.133 114.946 114.554 0.432 0.000 2.912 282 T HA 0.680 5.033 4.350 0.004 0.000 0.299 282 T C -1.971 172.966 174.700 0.395 0.000 1.052 282 T CA -0.620 61.622 62.100 0.237 0.000 0.996 282 T CB 1.464 70.288 68.868 -0.072 0.000 1.070 282 T HN 0.914 nan 8.240 nan 0.000 0.465 283 V N 5.585 125.672 119.914 0.288 0.000 2.347 283 V HA 0.527 4.650 4.120 0.004 0.000 0.280 283 V C -0.138 176.052 176.094 0.159 0.000 1.021 283 V CA -0.752 61.667 62.300 0.198 0.000 0.847 283 V CB 0.951 32.759 31.823 -0.024 0.000 0.990 283 V HN 0.817 nan 8.190 nan 0.000 0.444 284 I N 7.394 128.060 120.570 0.159 0.000 2.410 284 I HA 0.422 4.595 4.170 0.004 0.000 0.286 284 I C -2.399 173.736 176.117 0.031 0.000 1.009 284 I CA -1.957 59.392 61.300 0.083 0.000 1.111 284 I CB 2.423 40.424 38.000 0.002 0.000 1.262 284 I HN 0.397 nan 8.210 nan 0.000 0.443 285 P HA 0.216 nan 4.420 nan 0.000 0.277 285 P C 0.003 177.265 177.300 -0.062 0.000 1.240 285 P CA -0.522 62.500 63.100 -0.130 0.000 0.798 285 P CB 1.338 32.934 31.700 -0.173 0.000 0.979 286 K N 1.011 121.368 120.400 -0.072 0.000 2.281 286 K HA -0.144 4.179 4.320 0.004 0.000 0.203 286 K C 1.474 178.042 176.600 -0.053 0.000 1.046 286 K CA 1.520 57.775 56.287 -0.054 0.000 0.938 286 K CB -0.115 32.350 32.500 -0.058 0.000 0.737 286 K HN 0.446 nan 8.250 nan 0.000 0.458 287 K N 0.393 120.764 120.400 -0.048 0.000 2.374 287 K HA 0.055 4.378 4.320 0.004 0.000 0.196 287 K C -0.144 176.435 176.600 -0.034 0.000 1.023 287 K CA -0.245 56.020 56.287 -0.037 0.000 1.103 287 K CB 0.295 32.779 32.500 -0.028 0.000 0.848 287 K HN -0.049 nan 8.250 nan 0.000 0.528 288 L N 2.544 123.744 121.223 -0.039 0.000 2.485 288 L HA 0.162 4.504 4.340 0.004 0.000 0.279 288 L C -0.878 175.931 176.870 -0.102 0.000 1.124 288 L CA 0.536 55.340 54.840 -0.061 0.000 0.888 288 L CB -0.188 41.838 42.059 -0.055 0.000 1.217 288 L HN -0.019 nan 8.230 nan 0.000 0.464 289 L N 5.037 126.207 121.223 -0.089 0.000 2.362 289 L HA 0.446 4.789 4.340 0.004 0.000 0.271 289 L C -0.556 176.289 176.870 -0.041 0.000 1.002 289 L CA -1.022 53.783 54.840 -0.058 0.000 0.818 289 L CB 1.480 43.540 42.059 0.001 0.000 1.298 289 L HN 0.324 nan 8.230 nan 0.000 0.420 290 Y N 0.102 120.471 120.300 0.115 0.000 2.258 290 Y HA -0.045 4.508 4.550 0.004 0.000 0.345 290 Y C 1.845 177.792 175.900 0.078 0.000 1.303 290 Y CA 0.396 58.560 58.100 0.108 0.000 1.537 290 Y CB 0.694 39.246 38.460 0.153 0.000 1.383 290 Y HN 0.715 nan 8.280 nan 0.000 0.606 291 S N -0.753 115.102 115.700 0.260 0.000 2.442 291 S HA -0.179 4.294 4.470 0.004 0.000 0.236 291 S C 0.962 175.631 174.600 0.115 0.000 1.007 291 S CA 1.269 59.549 58.200 0.133 0.000 0.965 291 S CB -0.539 62.714 63.200 0.088 0.000 0.773 291 S HN 0.786 nan 8.310 nan 0.000 0.504 292 D N 0.289 120.779 120.400 0.149 0.000 2.328 292 D HA 0.265 4.907 4.640 0.004 0.000 0.226 292 D C 1.384 177.783 176.300 0.164 0.000 1.066 292 D CA 0.533 54.612 54.000 0.132 0.000 0.861 292 D CB -0.650 40.218 40.800 0.113 0.000 0.912 292 D HN 0.571 nan 8.370 nan 0.000 0.521 293 G N -0.337 108.568 108.800 0.174 0.000 2.176 293 G HA2 -0.280 3.683 3.960 0.004 0.000 0.253 293 G HA3 -0.280 3.683 3.960 0.004 0.000 0.253 293 G C -0.126 174.873 174.900 0.164 0.000 0.979 293 G CA -0.013 45.167 45.100 0.135 0.000 0.641 293 G HN 0.406 nan 8.290 nan 0.000 0.530 294 F N 3.011 123.048 119.950 0.145 0.000 2.438 294 F HA 0.577 5.106 4.527 0.004 0.000 0.356 294 F C -1.845 174.054 175.800 0.165 0.000 1.099 294 F CA -2.466 55.634 58.000 0.167 0.000 1.185 294 F CB 1.266 40.390 39.000 0.205 0.000 1.115 294 F HN -0.091 nan 8.300 nan 0.000 0.526 295 P HA 0.007 nan 4.420 nan 0.000 0.271 295 P C 0.803 178.062 177.300 -0.068 0.000 1.233 295 P CA 0.131 63.098 63.100 -0.222 0.000 0.764 295 P CB 0.912 32.443 31.700 -0.282 0.000 0.825 296 V N 3.837 123.681 119.914 -0.117 0.000 2.380 296 V HA -0.322 3.800 4.120 0.004 0.000 0.251 296 V C 2.374 178.484 176.094 0.028 0.000 1.063 296 V CA 2.671 64.876 62.300 -0.158 0.000 1.055 296 V CB -1.508 30.081 31.823 -0.390 0.000 0.657 296 V HN 0.619 nan 8.190 nan 0.000 0.455 297 A N -0.619 122.212 122.820 0.017 0.000 2.019 297 A HA -0.252 4.071 4.320 0.004 0.000 0.219 297 A C 2.282 179.964 177.584 0.163 0.000 1.164 297 A CA 1.998 54.098 52.037 0.104 0.000 0.644 297 A CB -0.433 18.674 19.000 0.177 0.000 0.805 297 A HN 0.531 nan 8.150 nan 0.000 0.449 298 K N -0.744 119.726 120.400 0.117 0.000 2.217 298 K HA -0.089 4.234 4.320 0.004 0.000 0.202 298 K C 1.154 177.930 176.600 0.293 0.000 1.051 298 K CA 1.222 57.600 56.287 0.152 0.000 0.952 298 K CB -0.003 32.449 32.500 -0.081 0.000 0.736 298 K HN 0.369 nan 8.250 nan 0.000 0.453 299 D N -0.515 120.100 120.400 0.359 0.000 2.162 299 D HA -0.082 4.560 4.640 0.004 0.000 0.205 299 D C 1.397 177.797 176.300 0.166 0.000 0.964 299 D CA 0.562 54.751 54.000 0.315 0.000 0.847 299 D CB -0.031 41.020 40.800 0.418 0.000 0.988 299 D HN 0.027 nan 8.370 nan 0.000 0.480 300 F N 1.571 121.475 119.950 -0.077 0.000 2.171 300 F HA -0.171 4.359 4.527 0.005 0.000 0.300 300 F C 1.992 177.656 175.800 -0.227 0.000 1.090 300 F CA 1.194 59.041 58.000 -0.255 0.000 1.293 300 F CB -0.304 38.399 39.000 -0.495 0.000 1.013 300 F HN -0.124 nan 8.300 nan 0.000 0.486 301 N N 0.209 118.865 118.700 -0.073 0.000 2.120 301 N HA -0.233 4.509 4.740 0.004 0.000 0.188 301 N C 1.987 177.496 175.510 -0.001 0.000 1.024 301 N CA 1.277 54.354 53.050 0.044 0.000 0.852 301 N CB -0.235 38.412 38.487 0.267 0.000 1.003 301 N HN 0.076 nan 8.380 nan 0.000 0.424 302 R N 0.536 121.054 120.500 0.029 0.000 2.096 302 R HA 0.078 4.421 4.340 0.004 0.000 0.235 302 R C 1.867 178.141 176.300 -0.044 0.000 1.127 302 R CA 1.043 57.154 56.100 0.019 0.000 0.968 302 R CB -0.647 29.691 30.300 0.064 0.000 0.861 302 R HN 0.313 nan 8.270 nan 0.000 0.440 303 I N 0.145 120.649 120.570 -0.110 0.000 2.315 303 I HA -0.214 3.958 4.170 0.004 0.000 0.248 303 I C 1.713 177.720 176.117 -0.183 0.000 1.117 303 I CA 0.932 62.140 61.300 -0.153 0.000 1.404 303 I CB -0.506 37.377 38.000 -0.194 0.000 1.071 303 I HN 0.159 nan 8.210 nan 0.000 0.419 304 I N 0.539 120.948 120.570 -0.268 0.000 2.353 304 I HA -0.221 3.951 4.170 0.004 0.000 0.248 304 I C 2.732 178.844 176.117 -0.009 0.000 1.119 304 I CA 1.099 62.302 61.300 -0.161 0.000 1.417 304 I CB -1.159 36.689 38.000 -0.253 0.000 1.078 304 I HN 0.265 nan 8.210 nan 0.000 0.421 305 C N -0.149 119.130 119.300 -0.035 0.000 2.457 305 C HA -0.100 4.362 4.460 0.004 0.000 0.278 305 C C 2.922 177.884 174.990 -0.047 0.000 1.309 305 C CA 1.481 60.477 59.018 -0.035 0.000 1.735 305 C CB -1.062 26.667 27.740 -0.018 0.000 1.992 305 C HN 0.586 nan 8.230 nan 0.000 0.493 306 T N -2.603 111.928 114.554 -0.038 0.000 3.051 306 T HA -0.014 4.338 4.350 0.004 0.000 0.255 306 T C 1.227 175.915 174.700 -0.020 0.000 1.085 306 T CA 1.490 63.570 62.100 -0.033 0.000 1.109 306 T CB -0.213 68.639 68.868 -0.026 0.000 0.921 306 T HN 0.572 nan 8.240 nan 0.000 0.488 307 C N 0.453 119.752 119.300 -0.002 0.000 3.392 307 C HA 0.593 5.055 4.460 0.004 0.000 0.301 307 C C -0.175 174.887 174.990 0.120 0.000 1.354 307 C CA -1.012 58.022 59.018 0.027 0.000 1.732 307 C CB -0.959 26.777 27.740 -0.007 0.000 2.269 307 C HN 0.619 nan 8.230 nan 0.000 0.673 308 F N 0.933 120.832 119.950 -0.086 0.000 2.629 308 F HA 0.550 5.080 4.527 0.005 0.000 0.316 308 F C -0.043 175.717 175.800 -0.068 0.000 1.081 308 F CA -1.031 56.930 58.000 -0.065 0.000 0.954 308 F CB 1.075 40.029 39.000 -0.078 0.000 1.337 308 F HN -0.240 nan 8.300 nan 0.000 0.474 309 N N 1.247 119.555 118.700 -0.654 0.000 2.170 309 N HA 0.362 5.105 4.740 0.004 0.000 0.222 309 N C -0.427 174.607 175.510 -0.794 0.000 1.218 309 N CA 0.806 53.514 53.050 -0.571 0.000 0.889 309 N CB 0.975 39.292 38.487 -0.283 0.000 1.083 309 N HN 1.089 nan 8.380 nan 0.000 0.520 310 G N 0.097 107.846 108.800 -1.752 0.000 2.650 310 G HA2 0.169 4.132 3.960 0.004 0.000 0.686 310 G HA3 0.169 4.132 3.960 0.004 0.000 0.686 310 G C -0.557 173.968 174.900 -0.624 0.000 1.205 310 G CA -0.484 43.994 45.100 -1.036 0.000 0.781 310 G HN 0.352 nan 8.290 nan 0.000 0.648 311 A N 1.042 123.873 122.820 0.017 0.000 2.386 311 A HA 0.809 5.132 4.320 0.004 0.000 0.248 311 A C 1.308 178.942 177.584 0.083 0.000 1.082 311 A CA 1.111 53.283 52.037 0.224 0.000 0.789 311 A CB 0.705 19.917 19.000 0.353 0.000 1.025 311 A HN 2.470 nan 8.150 nan 0.000 0.490 312 S N 0.690 116.444 115.700 0.090 0.000 2.593 312 S HA -0.059 4.413 4.470 0.004 0.000 0.300 312 S C 1.393 176.016 174.600 0.037 0.000 1.267 312 S CA 0.166 58.392 58.200 0.043 0.000 1.065 312 S CB -0.094 63.125 63.200 0.033 0.000 0.807 312 S HN 0.876 nan 8.310 nan 0.000 0.499 313 N N 5.672 124.376 118.700 0.008 0.000 2.459 313 N HA -0.080 4.663 4.740 0.004 0.000 0.181 313 N C 1.371 176.880 175.510 -0.002 0.000 1.046 313 N CA 1.232 54.281 53.050 -0.001 0.000 0.904 313 N CB -0.469 37.996 38.487 -0.036 0.000 0.964 313 N HN 0.703 nan 8.380 nan 0.000 0.444 314 I N 0.292 120.855 120.570 -0.012 0.000 2.339 314 I HA -0.095 4.078 4.170 0.004 0.000 0.245 314 I C 1.822 177.923 176.117 -0.028 0.000 1.096 314 I CA 0.612 61.896 61.300 -0.026 0.000 1.408 314 I CB -0.175 37.798 38.000 -0.046 0.000 1.092 314 I HN 0.033 nan 8.210 nan 0.000 0.423 315 S N 0.327 116.010 115.700 -0.028 0.000 2.400 315 S HA -0.230 4.243 4.470 0.004 0.000 0.232 315 S C 1.907 176.558 174.600 0.085 0.000 1.025 315 S CA 1.249 59.435 58.200 -0.023 0.000 0.993 315 S CB -0.296 62.906 63.200 0.003 0.000 0.808 315 S HN 0.455 nan 8.310 nan 0.000 0.478 316 Q N 0.654 120.505 119.800 0.086 0.000 2.119 316 Q HA 0.014 4.356 4.340 0.004 0.000 0.201 316 Q C 2.548 178.588 176.000 0.067 0.000 0.972 316 Q CA 1.219 57.084 55.803 0.103 0.000 0.847 316 Q CB -0.350 28.445 28.738 0.096 0.000 0.903 316 Q HN 0.616 nan 8.270 nan 0.000 0.433 317 A N 1.025 123.871 122.820 0.042 0.000 1.902 317 A HA -0.121 4.201 4.320 0.004 0.000 0.217 317 A C 2.241 179.850 177.584 0.041 0.000 1.181 317 A CA 1.606 53.661 52.037 0.031 0.000 0.623 317 A CB -1.235 17.776 19.000 0.018 0.000 0.818 317 A HN 0.477 nan 8.150 nan 0.000 0.443 318 G N -0.257 108.579 108.800 0.061 0.000 2.514 318 G HA2 -0.104 3.858 3.960 0.004 0.000 0.217 318 G HA3 -0.104 3.858 3.960 0.004 0.000 0.217 318 G C 1.792 176.757 174.900 0.109 0.000 1.198 318 G CA 1.849 47.037 45.100 0.147 0.000 0.780 318 G HN 0.885 nan 8.290 nan 0.000 0.565 319 A N 0.114 122.934 122.820 -0.001 0.000 1.930 319 A HA 0.173 4.496 4.320 0.004 0.000 0.217 319 A C 2.413 179.873 177.584 -0.206 0.000 1.175 319 A CA 1.194 52.956 52.037 -0.459 0.000 0.627 319 A CB -0.399 18.312 19.000 -0.481 0.000 0.815 319 A HN 0.361 nan 8.150 nan 0.000 0.443 320 L N -0.600 120.601 121.223 -0.037 0.000 2.013 320 L HA -0.281 4.062 4.340 0.004 0.000 0.212 320 L C 2.976 179.846 176.870 -0.001 0.000 1.073 320 L CA 1.718 56.560 54.840 0.005 0.000 0.753 320 L CB -0.529 41.542 42.059 0.020 0.000 0.890 320 L HN 0.469 nan 8.230 nan 0.000 0.432 321 A N -1.527 121.294 122.820 0.001 0.000 2.070 321 A HA -0.225 4.098 4.320 0.004 0.000 0.220 321 A C 2.289 179.877 177.584 0.006 0.000 1.159 321 A CA 1.605 53.649 52.037 0.012 0.000 0.656 321 A CB -1.014 18.005 19.000 0.031 0.000 0.800 321 A HN 0.626 nan 8.150 nan 0.000 0.453 322 C N -0.932 118.348 119.300 -0.032 0.000 2.435 322 C HA 0.091 4.553 4.460 0.004 0.000 0.279 322 C C 1.371 176.401 174.990 0.067 0.000 1.321 322 C CA 0.200 59.216 59.018 -0.004 0.000 1.752 322 C CB -1.217 26.450 27.740 -0.122 0.000 1.959 322 C HN 0.519 nan 8.230 nan 0.000 0.500 323 L N 2.163 123.417 121.223 0.053 0.000 2.719 323 L HA 0.259 4.601 4.340 0.004 0.000 0.236 323 L C 0.303 177.164 176.870 -0.015 0.000 1.285 323 L CA 0.224 55.081 54.840 0.027 0.000 1.222 323 L CB -0.865 41.217 42.059 0.038 0.000 1.493 323 L HN 0.431 nan 8.230 nan 0.000 0.415 324 T N -4.265 110.283 114.554 -0.010 0.000 2.853 324 T HA 0.393 4.746 4.350 0.004 0.000 0.311 324 T C -2.436 172.255 174.700 -0.015 0.000 1.307 324 T CA -1.600 60.492 62.100 -0.014 0.000 1.019 324 T CB 2.284 71.151 68.868 -0.001 0.000 1.264 324 T HN -0.211 nan 8.240 nan 0.000 0.497 325 P HA -0.156 nan 4.420 nan 0.000 0.215 325 P C 1.110 178.406 177.300 -0.006 0.000 1.163 325 P CA 1.549 64.637 63.100 -0.021 0.000 0.894 325 P CB 0.033 31.720 31.700 -0.022 0.000 0.791 326 E N -0.650 119.552 120.200 0.003 0.000 2.077 326 E HA -0.105 4.247 4.350 0.004 0.000 0.193 326 E C 2.360 178.977 176.600 0.029 0.000 0.989 326 E CA 1.608 58.017 56.400 0.016 0.000 0.800 326 E CB -1.648 28.062 29.700 0.018 0.000 0.746 326 E HN 0.260 nan 8.360 nan 0.000 0.452 327 G N 0.845 109.663 108.800 0.030 0.000 2.404 327 G HA2 -0.204 3.758 3.960 0.004 0.000 0.215 327 G HA3 -0.204 3.758 3.960 0.004 0.000 0.215 327 G C 1.397 176.338 174.900 0.068 0.000 1.174 327 G CA 0.476 45.604 45.100 0.048 0.000 0.780 327 G HN 0.080 nan 8.290 nan 0.000 0.537 328 L N 0.875 122.129 121.223 0.053 0.000 2.046 328 L HA 0.002 4.345 4.340 0.004 0.000 0.208 328 L C 2.608 179.517 176.870 0.064 0.000 1.077 328 L CA 1.875 56.749 54.840 0.056 0.000 0.747 328 L CB -1.064 40.995 42.059 0.001 0.000 0.896 328 L HN 0.451 nan 8.230 nan 0.000 0.432 329 E N -0.629 119.593 120.200 0.037 0.000 2.070 329 E HA -0.281 4.071 4.350 0.004 0.000 0.197 329 E C 2.154 178.812 176.600 0.096 0.000 1.004 329 E CA 1.483 57.912 56.400 0.049 0.000 0.805 329 E CB -0.005 29.709 29.700 0.023 0.000 0.744 329 E HN 0.460 nan 8.360 nan 0.000 0.451 330 A N 0.833 123.701 122.820 0.081 0.000 1.883 330 A HA -0.211 4.111 4.320 0.004 0.000 0.217 330 A C 2.240 179.888 177.584 0.106 0.000 1.186 330 A CA 1.943 54.031 52.037 0.084 0.000 0.624 330 A CB -0.545 18.499 19.000 0.073 0.000 0.822 330 A HN 0.321 nan 8.150 nan 0.000 0.444 331 M N -1.716 117.959 119.600 0.126 0.000 2.086 331 M HA -0.149 4.334 4.480 0.004 0.000 0.261 331 M C 2.322 178.696 176.300 0.125 0.000 1.067 331 M CA 1.765 57.152 55.300 0.146 0.000 1.116 331 M CB -0.803 31.905 32.600 0.179 0.000 1.348 331 M HN 0.652 nan 8.290 nan 0.000 0.407 332 H N 1.134 120.221 119.070 0.027 0.000 2.321 332 H HA -0.201 4.358 4.556 0.004 0.000 0.295 332 H C 1.889 177.230 175.328 0.023 0.000 1.102 332 H CA 2.133 58.182 56.048 0.002 0.000 1.266 332 H CB 0.100 29.859 29.762 -0.005 0.000 1.363 332 H HN 0.176 nan 8.280 nan 0.000 0.492 333 K N 0.222 120.686 120.400 0.107 0.000 2.009 333 K HA -0.130 4.193 4.320 0.004 0.000 0.210 333 K C 2.462 179.071 176.600 0.015 0.000 1.049 333 K CA 1.595 57.913 56.287 0.053 0.000 0.929 333 K CB -0.665 31.880 32.500 0.075 0.000 0.714 333 K HN 0.305 nan 8.250 nan 0.000 0.440 334 V N -0.210 119.724 119.914 0.033 0.000 2.407 334 V HA -0.188 3.934 4.120 0.004 0.000 0.248 334 V C 1.809 177.958 176.094 0.091 0.000 1.055 334 V CA 1.598 63.911 62.300 0.021 0.000 1.049 334 V CB -0.444 31.415 31.823 0.060 0.000 0.662 334 V HN 0.300 nan 8.190 nan 0.000 0.455 335 I N 1.651 122.265 120.570 0.073 0.000 2.208 335 I HA -0.116 4.057 4.170 0.004 0.000 0.245 335 I C 2.834 178.949 176.117 -0.003 0.000 1.097 335 I CA 1.814 63.113 61.300 -0.002 0.000 1.363 335 I CB -1.130 36.671 38.000 -0.331 0.000 1.051 335 I HN 0.470 nan 8.210 nan 0.000 0.413 336 G N 0.591 109.312 108.800 -0.132 0.000 2.440 336 G HA2 -0.328 3.635 3.960 0.004 0.000 0.218 336 G HA3 -0.328 3.635 3.960 0.004 0.000 0.218 336 G C 1.619 176.528 174.900 0.015 0.000 1.154 336 G CA 0.679 45.718 45.100 -0.102 0.000 0.767 336 G HN 0.369 nan 8.290 nan 0.000 0.552 337 F N 0.702 120.581 119.950 -0.118 0.000 2.069 337 F HA -0.137 4.392 4.527 0.004 0.000 0.298 337 F C 2.513 178.272 175.800 -0.069 0.000 1.113 337 F CA 1.478 59.394 58.000 -0.140 0.000 1.214 337 F CB -0.261 38.586 39.000 -0.255 0.000 0.978 337 F HN 0.178 nan 8.300 nan 0.000 0.474 338 Y N 1.065 121.499 120.300 0.223 0.000 2.181 338 Y HA -0.180 4.373 4.550 0.005 0.000 0.288 338 Y C 2.336 178.223 175.900 -0.021 0.000 1.146 338 Y CA 1.652 59.823 58.100 0.118 0.000 1.164 338 Y CB -1.115 37.564 38.460 0.364 0.000 0.982 338 Y HN 0.100 nan 8.280 nan 0.000 0.515 339 K N -0.403 120.106 120.400 0.182 0.000 2.209 339 K HA -0.190 4.133 4.320 0.004 0.000 0.204 339 K C 1.921 178.512 176.600 -0.015 0.000 1.048 339 K CA 1.384 57.718 56.287 0.079 0.000 0.940 339 K CB -0.059 32.490 32.500 0.081 0.000 0.729 339 K HN 0.115 nan 8.250 nan 0.000 0.451 340 E N 1.740 121.896 120.200 -0.074 0.000 2.028 340 E HA -0.138 4.215 4.350 0.004 0.000 0.191 340 E C 1.582 178.104 176.600 -0.130 0.000 0.988 340 E CA 1.301 57.633 56.400 -0.114 0.000 0.799 340 E CB -0.248 29.358 29.700 -0.156 0.000 0.755 340 E HN 0.159 nan 8.360 nan 0.000 0.447 341 N N -0.145 118.427 118.700 -0.215 0.000 2.091 341 N HA -0.186 4.557 4.740 0.004 0.000 0.193 341 N C 1.872 177.358 175.510 -0.041 0.000 1.021 341 N CA 2.056 55.024 53.050 -0.137 0.000 0.862 341 N CB -1.039 37.379 38.487 -0.115 0.000 1.018 341 N HN 0.448 nan 8.380 nan 0.000 0.429 342 T N -0.329 114.199 114.554 -0.045 0.000 2.904 342 T HA -0.023 4.330 4.350 0.004 0.000 0.267 342 T C 1.606 176.303 174.700 -0.005 0.000 1.059 342 T CA 0.956 63.036 62.100 -0.034 0.000 1.137 342 T CB -0.055 68.754 68.868 -0.099 0.000 0.879 342 T HN 0.021 nan 8.240 nan 0.000 0.467 343 N N 1.441 120.133 118.700 -0.013 0.000 2.106 343 N HA 0.064 4.806 4.740 0.004 0.000 0.188 343 N C 1.942 177.465 175.510 0.022 0.000 1.029 343 N CA 1.437 54.488 53.050 0.002 0.000 0.848 343 N CB -0.538 37.944 38.487 -0.008 0.000 1.007 343 N HN 0.498 nan 8.380 nan 0.000 0.423 344 I N 0.874 121.452 120.570 0.014 0.000 2.185 344 I HA -0.300 3.873 4.170 0.004 0.000 0.246 344 I C 1.902 178.071 176.117 0.086 0.000 1.088 344 I CA 1.189 62.510 61.300 0.034 0.000 1.347 344 I CB -0.305 37.703 38.000 0.014 0.000 1.041 344 I HN 0.077 nan 8.210 nan 0.000 0.415 345 I N 0.227 120.869 120.570 0.120 0.000 2.286 345 I HA -0.245 3.927 4.170 0.004 0.000 0.245 345 I C 2.462 178.743 176.117 0.273 0.000 1.104 345 I CA 1.302 62.746 61.300 0.240 0.000 1.397 345 I CB -0.218 37.943 38.000 0.268 0.000 1.072 345 I HN 0.111 nan 8.210 nan 0.000 0.417 346 I N 0.898 121.564 120.570 0.159 0.000 2.118 346 I HA -0.375 3.797 4.170 0.004 0.000 0.241 346 I C 2.159 178.349 176.117 0.121 0.000 1.070 346 I CA 1.638 63.011 61.300 0.121 0.000 1.327 346 I CB -0.493 37.537 38.000 0.050 0.000 1.034 346 I HN 0.275 nan 8.210 nan 0.000 0.405 347 D N 0.022 120.473 120.400 0.085 0.000 2.123 347 D HA -0.217 4.425 4.640 0.004 0.000 0.196 347 D C 2.188 178.527 176.300 0.065 0.000 0.992 347 D CA 2.118 56.156 54.000 0.062 0.000 0.833 347 D CB -0.650 40.174 40.800 0.040 0.000 0.954 347 D HN 0.384 nan 8.370 nan 0.000 0.455 348 T N -0.817 113.779 114.554 0.070 0.000 2.674 348 T HA -0.175 4.177 4.350 0.004 0.000 0.265 348 T C 1.974 176.645 174.700 -0.048 0.000 1.039 348 T CA 1.001 63.101 62.100 -0.000 0.000 1.150 348 T CB -0.546 68.305 68.868 -0.029 0.000 0.864 348 T HN 0.013 nan 8.240 nan 0.000 0.427 349 F N 1.577 121.551 119.950 0.041 0.000 2.325 349 F HA 0.085 4.615 4.527 0.005 0.000 0.299 349 F C 2.932 178.750 175.800 0.030 0.000 1.090 349 F CA 1.273 59.265 58.000 -0.014 0.000 1.392 349 F CB -0.811 38.092 39.000 -0.160 0.000 1.053 349 F HN 0.199 nan 8.300 nan 0.000 0.521 350 T N -0.788 113.871 114.554 0.175 0.000 2.701 350 T HA -0.211 4.142 4.350 0.004 0.000 0.263 350 T C 2.350 177.088 174.700 0.062 0.000 1.040 350 T CA 1.740 63.894 62.100 0.091 0.000 1.147 350 T CB -0.638 68.256 68.868 0.044 0.000 0.865 350 T HN 0.397 nan 8.240 nan 0.000 0.426 351 S N 1.898 117.628 115.700 0.050 0.000 2.387 351 S HA -0.095 4.377 4.470 0.004 0.000 0.230 351 S C 1.855 176.475 174.600 0.034 0.000 1.035 351 S CA 1.113 59.331 58.200 0.030 0.000 1.014 351 S CB -0.882 62.331 63.200 0.022 0.000 0.836 351 S HN 0.489 nan 8.310 nan 0.000 0.466 352 L N 1.216 122.478 121.223 0.066 0.000 2.650 352 L HA 0.278 4.621 4.340 0.004 0.000 0.235 352 L C 1.968 178.857 176.870 0.032 0.000 1.149 352 L CA 0.393 55.290 54.840 0.095 0.000 0.887 352 L CB -0.665 41.503 42.059 0.182 0.000 1.021 352 L HN 0.668 nan 8.230 nan 0.000 0.441 353 G N -1.745 107.049 108.800 -0.009 0.000 2.176 353 G HA2 -0.319 3.643 3.960 0.004 0.000 0.253 353 G HA3 -0.319 3.643 3.960 0.004 0.000 0.253 353 G C 0.090 174.839 174.900 -0.251 0.000 0.979 353 G CA -0.381 44.631 45.100 -0.146 0.000 0.641 353 G HN 0.255 nan 8.290 nan 0.000 0.530 354 Y N 1.660 121.873 120.300 -0.145 0.000 2.301 354 Y HA 0.425 4.977 4.550 0.004 0.000 0.328 354 Y C 0.799 176.588 175.900 -0.185 0.000 1.242 354 Y CA -0.401 57.560 58.100 -0.233 0.000 1.323 354 Y CB 0.621 38.895 38.460 -0.309 0.000 1.266 354 Y HN 0.050 nan 8.280 nan 0.000 0.527 355 D N 2.389 122.773 120.400 -0.027 0.000 2.339 355 D HA 0.229 4.872 4.640 0.004 0.000 0.256 355 D C -0.680 175.512 176.300 -0.180 0.000 1.214 355 D CA 0.134 54.074 54.000 -0.099 0.000 0.877 355 D CB 1.161 42.011 40.800 0.083 0.000 1.111 355 D HN 0.333 nan 8.370 nan 0.000 0.478 356 V N 1.593 121.301 119.914 -0.343 0.000 2.540 356 V HA 0.556 4.679 4.120 0.004 0.000 0.302 356 V C -1.269 174.542 176.094 -0.471 0.000 1.035 356 V CA -0.608 61.530 62.300 -0.270 0.000 0.873 356 V CB 0.941 32.690 31.823 -0.124 0.000 0.992 356 V HN 0.292 nan 8.190 nan 0.000 0.428 357 Y N 3.701 124.116 120.300 0.191 0.000 2.618 357 Y HA 0.934 5.487 4.550 0.005 0.000 0.326 357 Y C 1.252 177.202 175.900 0.083 0.000 1.168 357 Y CA 0.340 58.566 58.100 0.210 0.000 1.269 357 Y CB 1.156 39.861 38.460 0.408 0.000 1.388 357 Y HN 1.340 nan 8.280 nan 0.000 0.528 358 G N -0.307 108.568 108.800 0.125 0.000 2.697 358 G HA2 0.214 4.176 3.960 0.004 0.000 0.240 358 G HA3 0.214 4.176 3.960 0.004 0.000 0.240 358 G C 0.772 175.634 174.900 -0.063 0.000 1.346 358 G CA 0.217 45.283 45.100 -0.058 0.000 0.887 358 G HN 1.922 nan 8.290 nan 0.000 0.569 359 G N -1.558 107.145 108.800 -0.162 0.000 2.299 359 G HA2 -0.263 3.699 3.960 0.004 0.000 0.237 359 G HA3 -0.263 3.699 3.960 0.004 0.000 0.237 359 G C 1.230 176.069 174.900 -0.101 0.000 1.027 359 G CA 1.592 46.616 45.100 -0.128 0.000 0.619 359 G HN 1.381 nan 8.290 nan 0.000 0.513 360 K N 0.006 120.361 120.400 -0.076 0.000 2.099 360 K HA 0.174 4.497 4.320 0.004 0.000 0.203 360 K C 1.520 178.099 176.600 -0.035 0.000 1.047 360 K CA 1.139 57.406 56.287 -0.035 0.000 0.963 360 K CB -0.011 32.486 32.500 -0.004 0.000 0.759 360 K HN 0.293 nan 8.250 nan 0.000 0.451 361 N N -0.236 118.420 118.700 -0.072 0.000 2.235 361 N HA 0.214 4.957 4.740 0.004 0.000 0.231 361 N C -1.226 174.224 175.510 -0.100 0.000 1.177 361 N CA 0.165 53.194 53.050 -0.034 0.000 0.874 361 N CB 1.812 40.294 38.487 -0.010 0.000 1.097 361 N HN 0.118 nan 8.380 nan 0.000 0.518 362 A N 0.736 123.369 122.820 -0.312 0.000 2.604 362 A HA 0.486 4.808 4.320 0.004 0.000 0.295 362 A C -2.598 174.429 177.584 -0.928 0.000 1.067 362 A CA -0.910 50.663 52.037 -0.773 0.000 0.683 362 A CB 1.490 19.739 19.000 -1.251 0.000 1.281 362 A HN -0.182 nan 8.150 nan 0.000 0.407 363 P HA 0.213 nan 4.420 nan 0.000 0.258 363 P C -1.043 175.809 177.300 -0.747 0.000 1.559 363 P CA 0.707 63.247 63.100 -0.933 0.000 0.855 363 P CB -0.999 29.938 31.700 -1.272 0.000 1.594 364 Y N -2.404 117.628 120.300 -0.446 0.000 2.609 364 Y HA 0.609 5.161 4.550 0.004 0.000 0.336 364 Y C -0.878 174.904 175.900 -0.196 0.000 1.129 364 Y CA -2.294 55.625 58.100 -0.303 0.000 1.040 364 Y CB 0.744 39.015 38.460 -0.314 0.000 1.310 364 Y HN -0.149 nan 8.280 nan 0.000 0.460 365 V N -1.003 118.983 119.914 0.120 0.000 2.864 365 V HA 0.629 4.752 4.120 0.004 0.000 0.314 365 V C -1.653 174.558 176.094 0.196 0.000 1.073 365 V CA -0.980 61.376 62.300 0.094 0.000 0.956 365 V CB 2.604 34.437 31.823 0.016 0.000 1.023 365 V HN 1.099 nan 8.190 nan 0.000 0.435 366 W N 4.493 125.764 121.300 -0.049 0.000 2.463 366 W HA 0.715 5.377 4.660 0.004 0.000 0.316 366 W C -2.025 174.592 176.519 0.163 0.000 1.004 366 W CA -0.732 56.618 57.345 0.009 0.000 1.309 366 W CB 1.955 31.366 29.460 -0.082 0.000 1.288 366 W HN 0.633 nan 8.180 nan 0.000 0.423 367 V N 5.746 125.581 119.914 -0.132 0.000 2.384 367 V HA 0.103 4.226 4.120 0.004 0.000 0.287 367 V C 0.031 175.961 176.094 -0.273 0.000 1.020 367 V CA -0.612 61.509 62.300 -0.297 0.000 0.850 367 V CB 1.148 32.504 31.823 -0.780 0.000 0.987 367 V HN 0.363 nan 8.190 nan 0.000 0.436 368 H N 4.634 123.477 119.070 -0.378 0.000 2.819 368 H HA 0.372 4.931 4.556 0.004 0.000 0.303 368 H C -1.017 173.972 175.328 -0.566 0.000 1.058 368 H CA -0.766 54.896 56.048 -0.643 0.000 1.471 368 H CB 0.329 29.843 29.762 -0.412 0.000 1.480 368 H HN 0.454 nan 8.280 nan 0.000 0.517 369 F N 7.226 126.938 119.950 -0.396 0.000 2.310 369 F HA 0.299 4.828 4.527 0.004 0.000 0.365 369 F C -1.967 173.538 175.800 -0.492 0.000 1.080 369 F CA -2.320 55.489 58.000 -0.318 0.000 1.187 369 F CB 0.971 39.842 39.000 -0.215 0.000 1.465 369 F HN 0.466 nan 8.300 nan 0.000 0.496 370 P HA 0.055 nan 4.420 nan 0.000 0.268 370 P C 0.172 177.355 177.300 -0.195 0.000 1.204 370 P CA 0.480 63.267 63.100 -0.523 0.000 0.768 370 P CB 0.367 31.751 31.700 -0.526 0.000 0.842 371 N N -0.536 118.095 118.700 -0.115 0.000 2.948 371 N HA -0.189 4.553 4.740 0.004 0.000 0.239 371 N C -0.399 175.102 175.510 -0.014 0.000 0.954 371 N CA 0.704 53.726 53.050 -0.046 0.000 0.941 371 N CB -0.688 37.772 38.487 -0.045 0.000 1.101 371 N HN 0.611 nan 8.380 nan 0.000 0.579 372 Q N 0.435 120.230 119.800 -0.009 0.000 2.387 372 Q HA 0.478 4.820 4.340 0.004 0.000 0.273 372 Q C -0.231 175.778 176.000 0.016 0.000 1.089 372 Q CA -0.505 55.306 55.803 0.013 0.000 0.824 372 Q CB 2.091 30.845 28.738 0.025 0.000 1.367 372 Q HN 0.187 nan 8.270 nan 0.000 0.443 373 S N 0.073 115.793 115.700 0.034 0.000 2.548 373 S HA 0.083 4.555 4.470 0.004 0.000 0.277 373 S C 0.889 175.507 174.600 0.029 0.000 1.315 373 S CA 0.053 58.291 58.200 0.062 0.000 1.050 373 S CB 0.858 64.120 63.200 0.102 0.000 0.918 373 S HN 0.731 nan 8.310 nan 0.000 0.497 374 S N 3.429 119.133 115.700 0.008 0.000 2.428 374 S HA -0.064 4.409 4.470 0.004 0.000 0.230 374 S C 1.287 175.811 174.600 -0.127 0.000 1.014 374 S CA 0.277 58.412 58.200 -0.108 0.000 0.957 374 S CB -0.802 62.319 63.200 -0.132 0.000 0.784 374 S HN 0.898 nan 8.310 nan 0.000 0.499 375 W N 2.445 123.745 121.300 0.001 0.000 2.374 375 W HA 0.009 4.671 4.660 0.004 0.000 0.288 375 W C 1.939 178.519 176.519 0.102 0.000 1.218 375 W CA 0.824 58.188 57.345 0.031 0.000 1.245 375 W CB -0.252 29.196 29.460 -0.021 0.000 1.126 375 W HN 0.279 nan 8.180 nan 0.000 0.545 376 D N -0.335 120.202 120.400 0.228 0.000 2.103 376 D HA -0.148 4.494 4.640 0.004 0.000 0.199 376 D C 2.324 178.653 176.300 0.048 0.000 0.978 376 D CA 1.462 55.544 54.000 0.135 0.000 0.829 376 D CB -0.845 40.003 40.800 0.080 0.000 0.981 376 D HN -0.041 nan 8.370 nan 0.000 0.464 377 V N 1.378 121.253 119.914 -0.065 0.000 2.255 377 V HA -0.269 3.854 4.120 0.004 0.000 0.247 377 V C 2.246 178.244 176.094 -0.160 0.000 1.051 377 V CA 1.644 63.799 62.300 -0.242 0.000 1.018 377 V CB -0.741 30.698 31.823 -0.640 0.000 0.641 377 V HN 0.114 nan 8.190 nan 0.000 0.445 378 F N 1.724 121.548 119.950 -0.211 0.000 2.063 378 F HA -0.294 4.235 4.527 0.005 0.000 0.298 378 F C 2.270 178.046 175.800 -0.040 0.000 1.109 378 F CA 2.043 59.957 58.000 -0.143 0.000 1.212 378 F CB -0.628 38.250 39.000 -0.204 0.000 0.973 378 F HN 0.072 nan 8.300 nan 0.000 0.480 379 A N -0.231 122.592 122.820 0.005 0.000 1.902 379 A HA -0.214 4.108 4.320 0.004 0.000 0.217 379 A C 2.273 179.791 177.584 -0.111 0.000 1.181 379 A CA 1.709 53.715 52.037 -0.052 0.000 0.623 379 A CB -1.054 18.050 19.000 0.173 0.000 0.818 379 A HN 0.620 nan 8.150 nan 0.000 0.443 380 E N -0.231 119.925 120.200 -0.072 0.000 2.031 380 E HA -0.187 4.165 4.350 0.004 0.000 0.193 380 E C 1.905 178.433 176.600 -0.120 0.000 0.994 380 E CA 1.485 57.846 56.400 -0.066 0.000 0.800 380 E CB -0.215 29.471 29.700 -0.023 0.000 0.752 380 E HN 0.679 nan 8.360 nan 0.000 0.447 381 I N 0.738 121.223 120.570 -0.141 0.000 2.226 381 I HA -0.259 3.914 4.170 0.004 0.000 0.245 381 I C 2.526 178.518 176.117 -0.208 0.000 1.100 381 I CA 0.414 61.649 61.300 -0.107 0.000 1.374 381 I CB -0.215 37.785 38.000 -0.002 0.000 1.057 381 I HN 0.214 nan 8.210 nan 0.000 0.413 382 L N 1.153 122.162 121.223 -0.357 0.000 1.994 382 L HA -0.231 4.112 4.340 0.004 0.000 0.208 382 L C 2.451 179.065 176.870 -0.428 0.000 1.071 382 L CA 2.115 56.671 54.840 -0.473 0.000 0.745 382 L CB -0.690 40.967 42.059 -0.670 0.000 0.892 382 L HN 0.232 nan 8.230 nan 0.000 0.431 383 E N -0.276 119.809 120.200 -0.192 0.000 2.047 383 E HA -0.218 4.134 4.350 0.004 0.000 0.191 383 E C 2.155 178.668 176.600 -0.146 0.000 0.987 383 E CA 1.760 58.199 56.400 0.065 0.000 0.799 383 E CB -0.113 29.653 29.700 0.109 0.000 0.752 383 E HN 0.482 nan 8.360 nan 0.000 0.449 384 K N -0.875 119.401 120.400 -0.208 0.000 2.116 384 K HA -0.010 4.313 4.320 0.004 0.000 0.203 384 K C 2.145 178.509 176.600 -0.394 0.000 1.052 384 K CA 1.618 57.757 56.287 -0.246 0.000 0.952 384 K CB 0.010 32.409 32.500 -0.169 0.000 0.729 384 K HN 0.335 nan 8.250 nan 0.000 0.446 385 T N -3.308 111.000 114.554 -0.410 0.000 2.990 385 T HA 0.030 4.383 4.350 0.004 0.000 0.250 385 T C -0.018 174.472 174.700 -0.349 0.000 1.041 385 T CA -0.004 61.901 62.100 -0.325 0.000 1.010 385 T CB -0.157 68.620 68.868 -0.152 0.000 1.003 385 T HN 0.334 nan 8.240 nan 0.000 0.499 386 H N -0.326 118.696 119.070 -0.080 0.000 2.862 386 H HA -0.077 4.482 4.556 0.005 0.000 0.290 386 H C -0.754 174.519 175.328 -0.093 0.000 1.211 386 H CA 0.356 56.353 56.048 -0.085 0.000 1.140 386 H CB -2.610 27.191 29.762 0.065 0.000 1.341 386 H HN 0.370 nan 8.280 nan 0.000 0.392 387 V N 0.767 120.630 119.914 -0.086 0.000 2.347 387 V HA 0.254 4.376 4.120 0.004 0.000 0.280 387 V C 0.383 176.468 176.094 -0.016 0.000 1.021 387 V CA -0.627 61.669 62.300 -0.008 0.000 0.847 387 V CB 1.775 33.612 31.823 0.023 0.000 0.990 387 V HN 0.231 nan 8.190 nan 0.000 0.444 388 V N 6.822 126.755 119.914 0.032 0.000 2.470 388 V HA 0.520 4.643 4.120 0.004 0.000 0.276 388 V C 0.664 176.877 176.094 0.197 0.000 1.040 388 V CA 0.718 63.067 62.300 0.083 0.000 1.008 388 V CB 1.231 33.138 31.823 0.140 0.000 0.990 388 V HN 1.142 nan 8.190 nan 0.000 0.477 389 T N 3.047 117.749 114.554 0.246 0.000 2.804 389 T HA 0.631 4.983 4.350 0.004 0.000 0.272 389 T C -0.195 174.704 174.700 0.331 0.000 0.986 389 T CA -0.671 61.592 62.100 0.271 0.000 0.999 389 T CB 1.845 70.826 68.868 0.188 0.000 1.307 389 T HN 0.596 nan 8.240 nan 0.000 0.586 390 T N 3.108 117.785 114.554 0.204 0.000 2.841 390 T HA 0.578 4.931 4.350 0.004 0.000 0.285 390 T C -2.847 171.816 174.700 -0.061 0.000 0.991 390 T CA -1.106 61.024 62.100 0.049 0.000 0.966 390 T CB 1.696 70.700 68.868 0.225 0.000 0.962 390 T HN 0.558 nan 8.240 nan 0.000 0.438 391 P HA 0.216 nan 4.420 nan 0.000 0.279 391 P C 1.094 178.268 177.300 -0.211 0.000 1.239 391 P CA -0.241 62.565 63.100 -0.491 0.000 0.789 391 P CB 1.057 32.012 31.700 -1.241 0.000 0.933 392 G N 2.794 111.615 108.800 0.035 0.000 2.469 392 G HA2 -0.296 3.667 3.960 0.004 0.000 0.219 392 G HA3 -0.296 3.667 3.960 0.004 0.000 0.219 392 G C 1.469 176.570 174.900 0.334 0.000 1.150 392 G CA 1.180 46.513 45.100 0.389 0.000 0.763 392 G HN 0.609 nan 8.290 nan 0.000 0.561 393 S N 0.569 116.328 115.700 0.097 0.000 2.507 393 S HA 0.099 4.572 4.470 0.004 0.000 0.235 393 S C 2.322 176.968 174.600 0.075 0.000 0.988 393 S CA 1.054 59.334 58.200 0.133 0.000 0.944 393 S CB -0.388 62.917 63.200 0.174 0.000 0.762 393 S HN 0.467 nan 8.310 nan 0.000 0.526 394 G N 0.462 109.168 108.800 -0.155 0.000 2.479 394 G HA2 -0.081 3.882 3.960 0.004 0.000 0.220 394 G HA3 -0.081 3.882 3.960 0.004 0.000 0.220 394 G C 0.665 175.316 174.900 -0.414 0.000 1.115 394 G CA 0.389 45.267 45.100 -0.370 0.000 0.757 394 G HN 0.612 nan 8.290 nan 0.000 0.560 395 F N 0.704 120.616 119.950 -0.063 0.000 2.639 395 F HA 0.465 4.995 4.527 0.004 0.000 0.302 395 F C 1.257 177.076 175.800 0.032 0.000 1.097 395 F CA 0.366 58.329 58.000 -0.061 0.000 1.294 395 F CB 0.809 39.760 39.000 -0.083 0.000 1.027 395 F HN 0.328 nan 8.300 nan 0.000 0.550 396 G N 0.586 109.520 108.800 0.223 0.000 2.392 396 G HA2 -0.071 3.892 3.960 0.004 0.000 0.677 396 G HA3 -0.071 3.892 3.960 0.004 0.000 0.677 396 G C -2.307 172.707 174.900 0.191 0.000 1.334 396 G CA -0.796 44.450 45.100 0.243 0.000 0.961 396 G HN -0.176 nan 8.290 nan 0.000 0.616 397 P HA -0.034 nan 4.420 nan 0.000 0.218 397 P C 1.707 179.077 177.300 0.117 0.000 1.148 397 P CA 1.982 65.119 63.100 0.061 0.000 0.822 397 P CB -0.077 31.579 31.700 -0.074 0.000 0.784 398 G N -1.710 107.172 108.800 0.137 0.000 3.124 398 G HA2 0.326 4.289 3.960 0.004 0.000 0.212 398 G HA3 0.326 4.289 3.960 0.004 0.000 0.212 398 G C 1.010 176.077 174.900 0.277 0.000 1.181 398 G CA 0.494 45.699 45.100 0.176 0.000 0.803 398 G HN 0.535 nan 8.290 nan 0.000 0.529 399 G N 0.192 109.244 108.800 0.419 0.000 3.226 399 G HA2 -0.260 3.703 3.960 0.004 0.000 0.270 399 G HA3 -0.260 3.703 3.960 0.004 0.000 0.270 399 G C 0.131 175.260 174.900 0.383 0.000 1.592 399 G CA 0.209 45.538 45.100 0.383 0.000 1.055 399 G HN 0.660 nan 8.290 nan 0.000 0.582 400 E N 1.853 122.224 120.200 0.284 0.000 2.349 400 E HA 0.541 4.894 4.350 0.004 0.000 0.265 400 E C 0.634 177.373 176.600 0.231 0.000 1.064 400 E CA 0.518 57.038 56.400 0.199 0.000 0.886 400 E CB 0.963 30.753 29.700 0.150 0.000 1.036 400 E HN 1.111 nan 8.360 nan 0.000 0.413 401 G N 3.324 112.168 108.800 0.073 0.000 2.741 401 G HA2 0.458 4.421 3.960 0.004 0.000 0.336 401 G HA3 0.458 4.421 3.960 0.004 0.000 0.336 401 G C -1.109 173.661 174.900 -0.216 0.000 1.022 401 G CA -0.338 44.751 45.100 -0.019 0.000 1.193 401 G HN 0.266 nan 8.290 nan 0.000 0.455 402 F N 1.083 120.885 119.950 -0.247 0.000 2.538 402 F HA 0.669 5.199 4.527 0.004 0.000 0.325 402 F C 0.199 175.703 175.800 -0.492 0.000 1.066 402 F CA -1.016 56.593 58.000 -0.653 0.000 0.946 402 F CB 2.705 40.557 39.000 -1.913 0.000 1.199 402 F HN 0.344 nan 8.300 nan 0.000 0.473 403 V N 1.393 121.173 119.914 -0.224 0.000 2.709 403 V HA 0.618 4.740 4.120 0.004 0.000 0.308 403 V C -0.885 175.216 176.094 0.011 0.000 1.062 403 V CA -0.941 61.303 62.300 -0.094 0.000 0.901 403 V CB 1.856 33.606 31.823 -0.122 0.000 1.003 403 V HN 0.842 nan 8.190 nan 0.000 0.425 404 R N 3.450 124.092 120.500 0.237 0.000 2.298 404 R HA 0.678 5.021 4.340 0.004 0.000 0.310 404 R C -1.253 175.130 176.300 0.138 0.000 1.068 404 R CA -0.313 55.946 56.100 0.266 0.000 0.957 404 R CB 1.393 31.818 30.300 0.207 0.000 1.003 404 R HN 0.786 nan 8.270 nan 0.000 0.454 405 V N 3.637 123.608 119.914 0.094 0.000 2.409 405 V HA 0.202 4.325 4.120 0.004 0.000 0.291 405 V C 0.158 176.336 176.094 0.140 0.000 1.020 405 V CA -0.717 61.655 62.300 0.120 0.000 0.848 405 V CB 1.430 33.306 31.823 0.090 0.000 0.990 405 V HN 0.836 nan 8.190 nan 0.000 0.430 406 S N 3.885 119.672 115.700 0.146 0.000 2.586 406 S HA 0.606 5.078 4.470 0.004 0.000 0.274 406 S C 0.894 175.523 174.600 0.049 0.000 1.281 406 S CA 0.175 58.434 58.200 0.098 0.000 1.035 406 S CB 1.630 64.913 63.200 0.138 0.000 0.962 406 S HN 1.085 nan 8.310 nan 0.000 0.512 407 A N 3.755 126.491 122.820 -0.141 0.000 2.423 407 A HA 0.401 4.724 4.320 0.004 0.000 0.246 407 A C -0.186 177.364 177.584 -0.057 0.000 1.278 407 A CA -0.433 51.542 52.037 -0.103 0.000 0.903 407 A CB -0.345 18.569 19.000 -0.143 0.000 0.997 407 A HN 0.688 nan 8.150 nan 0.000 0.510 408 F N 0.949 120.924 119.950 0.043 0.000 2.464 408 F HA 0.531 5.061 4.527 0.004 0.000 0.353 408 F C 1.013 176.903 175.800 0.150 0.000 1.191 408 F CA -0.317 57.681 58.000 -0.003 0.000 1.147 408 F CB 0.604 39.492 39.000 -0.186 0.000 1.294 408 F HN 0.179 nan 8.300 nan 0.000 0.583 409 G N 1.679 110.756 108.800 0.462 0.000 2.646 409 G HA2 0.274 4.237 3.960 0.004 0.000 0.291 409 G HA3 0.274 4.237 3.960 0.004 0.000 0.291 409 G C -1.453 173.709 174.900 0.437 0.000 1.445 409 G CA -0.903 44.378 45.100 0.301 0.000 0.814 409 G HN 0.317 nan 8.290 nan 0.000 0.495 410 H N 0.355 119.648 119.070 0.371 0.000 3.016 410 H HA 0.059 4.618 4.556 0.005 0.000 0.345 410 H C 1.757 177.302 175.328 0.362 0.000 1.066 410 H CA 0.176 56.449 56.048 0.376 0.000 1.390 410 H CB 1.193 31.083 29.762 0.213 0.000 1.344 410 H HN 0.637 nan 8.280 nan 0.000 0.605 411 R N 2.414 123.257 120.500 0.571 0.000 2.134 411 R HA -0.200 4.143 4.340 0.004 0.000 0.248 411 R C 1.821 178.226 176.300 0.175 0.000 1.143 411 R CA 2.148 58.414 56.100 0.277 0.000 0.957 411 R CB -0.355 30.116 30.300 0.284 0.000 0.867 411 R HN 0.783 nan 8.270 nan 0.000 0.441 412 E N -0.534 119.776 120.200 0.183 0.000 2.085 412 E HA -0.178 4.174 4.350 0.004 0.000 0.194 412 E C 1.659 178.326 176.600 0.111 0.000 0.994 412 E CA 1.277 57.749 56.400 0.121 0.000 0.801 412 E CB -0.135 29.630 29.700 0.108 0.000 0.743 412 E HN 0.440 nan 8.360 nan 0.000 0.453 413 N N 0.605 119.403 118.700 0.163 0.000 2.166 413 N HA -0.150 4.593 4.740 0.004 0.000 0.186 413 N C 1.813 177.366 175.510 0.071 0.000 1.019 413 N CA 0.933 54.056 53.050 0.121 0.000 0.856 413 N CB -0.062 38.520 38.487 0.158 0.000 0.993 413 N HN 0.206 nan 8.380 nan 0.000 0.426 414 I N 1.206 121.831 120.570 0.092 0.000 2.406 414 I HA -0.087 4.086 4.170 0.004 0.000 0.249 414 I C 2.351 178.476 176.117 0.013 0.000 1.122 414 I CA 0.490 61.826 61.300 0.059 0.000 1.431 414 I CB -1.040 37.004 38.000 0.074 0.000 1.087 414 I HN 0.067 nan 8.210 nan 0.000 0.424 415 L N 0.509 121.745 121.223 0.021 0.000 1.994 415 L HA -0.241 4.102 4.340 0.004 0.000 0.208 415 L C 2.653 179.500 176.870 -0.038 0.000 1.071 415 L CA 1.564 56.404 54.840 0.001 0.000 0.745 415 L CB -0.476 41.594 42.059 0.017 0.000 0.892 415 L HN 0.194 nan 8.230 nan 0.000 0.431 416 E N 0.422 120.600 120.200 -0.036 0.000 2.051 416 E HA -0.209 4.144 4.350 0.004 0.000 0.192 416 E C 2.073 178.574 176.600 -0.165 0.000 0.991 416 E CA 1.551 57.909 56.400 -0.070 0.000 0.799 416 E CB -0.173 29.508 29.700 -0.032 0.000 0.748 416 E HN 0.361 nan 8.360 nan 0.000 0.449 417 A N -0.152 122.542 122.820 -0.211 0.000 1.940 417 A HA -0.225 4.098 4.320 0.004 0.000 0.219 417 A C 2.578 179.697 177.584 -0.775 0.000 1.176 417 A CA 1.631 53.369 52.037 -0.499 0.000 0.631 417 A CB -1.054 17.696 19.000 -0.417 0.000 0.814 417 A HN 0.509 nan 8.150 nan 0.000 0.446 418 C N -0.815 118.267 119.300 -0.365 0.000 2.466 418 C HA -0.005 4.458 4.460 0.004 0.000 0.278 418 C C 2.879 177.778 174.990 -0.150 0.000 1.288 418 C CA 1.132 60.036 59.018 -0.190 0.000 1.722 418 C CB -1.082 26.648 27.740 -0.017 0.000 2.017 418 C HN 0.862 nan 8.230 nan 0.000 0.488 419 R N 1.370 121.792 120.500 -0.130 0.000 2.152 419 R HA -0.070 4.273 4.340 0.004 0.000 0.232 419 R C 1.859 178.088 176.300 -0.119 0.000 1.117 419 R CA 1.585 57.629 56.100 -0.093 0.000 0.981 419 R CB -0.605 29.661 30.300 -0.057 0.000 0.870 419 R HN 0.358 nan 8.270 nan 0.000 0.451 420 R N -0.153 120.220 120.500 -0.211 0.000 2.073 420 R HA -0.004 4.339 4.340 0.004 0.000 0.234 420 R C 1.843 178.066 176.300 -0.127 0.000 1.134 420 R CA 1.853 57.827 56.100 -0.209 0.000 0.952 420 R CB -0.508 29.616 30.300 -0.293 0.000 0.850 420 R HN 0.213 nan 8.270 nan 0.000 0.433 421 F N 1.095 120.979 119.950 -0.111 0.000 2.161 421 F HA -0.153 4.377 4.527 0.005 0.000 0.300 421 F C 1.936 177.669 175.800 -0.113 0.000 1.089 421 F CA 1.109 59.027 58.000 -0.136 0.000 1.282 421 F CB -0.605 38.237 39.000 -0.263 0.000 1.010 421 F HN -0.028 nan 8.300 nan 0.000 0.485 422 K N -0.352 120.089 120.400 0.069 0.000 1.991 422 K HA -0.217 4.106 4.320 0.004 0.000 0.212 422 K C 2.197 178.806 176.600 0.016 0.000 1.049 422 K CA 1.405 57.713 56.287 0.035 0.000 0.932 422 K CB -0.362 32.141 32.500 0.004 0.000 0.717 422 K HN 0.050 nan 8.250 nan 0.000 0.441 423 Q N 0.985 120.771 119.800 -0.023 0.000 2.062 423 Q HA -0.181 4.162 4.340 0.004 0.000 0.209 423 Q C 2.083 178.045 176.000 -0.064 0.000 0.996 423 Q CA 1.439 57.218 55.803 -0.040 0.000 0.859 423 Q CB -0.574 28.131 28.738 -0.055 0.000 0.920 423 Q HN 0.343 nan 8.270 nan 0.000 0.415 424 L N -0.821 120.319 121.223 -0.138 0.000 1.989 424 L HA -0.184 4.159 4.340 0.004 0.000 0.211 424 L C 0.177 176.890 176.870 -0.261 0.000 1.071 424 L CA 1.247 55.902 54.840 -0.308 0.000 0.749 424 L CB -0.049 41.627 42.059 -0.639 0.000 0.890 424 L HN 0.174 nan 8.230 nan 0.000 0.431 425 Y N -0.311 120.046 120.300 0.095 0.000 2.457 425 Y HA 0.291 4.844 4.550 0.005 0.000 0.333 425 Y C 0.683 176.628 175.900 0.074 0.000 1.119 425 Y CA -1.231 56.943 58.100 0.123 0.000 1.143 425 Y CB 0.509 39.103 38.460 0.222 0.000 1.230 425 Y HN -0.142 nan 8.280 nan 0.000 0.469 426 K N 0.000 120.542 120.400 0.237 0.000 2.780 426 K HA 0.000 4.323 4.320 0.004 0.000 0.191 426 K CA 0.000 56.353 56.287 0.110 0.000 0.838 426 K CB 0.000 32.545 32.500 0.074 0.000 1.064 426 K HN 0.000 nan 8.250 nan 0.000 0.543